A0A077ZA30_TRITR Loading...

Acetylcholine receptor-like protein cup-4

AlphaFold DB , UniProt , Accession A0A077ZA30, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 357 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	36.8	Very low	60.3	Low	219 Å²	219	131.3 Å²	131.3	100%	1.079	70%	0.702	S	S	*	*				0	80.6	0	-160.8	170.7	90.1	0	0	107.7	K3	M1-K3 PolarHBondContact O-N 3.23Å
2	S	42.9	Very low	62.1	Low	113 Å²	113	127.2 Å²	127.2	79%	0.79	68%	0.679	S	S	*	*			trans	-71.8	110.3	168	45.7	0	0	0	0	106.4	E4	S2-E4 PolarHBondContact O-N 3.05Å; S2-E4 VanDerWaalsContact O-N 3.08Å
3	K	44.1	Very low	63.8	Low	171 Å²	171	124.5 Å²	124.5	74%	0.743	66%	0.664	S	S	*	*			trans	-65.7	107.3	165.9	-75.5	-178.2	174.6	-178.7	0	106.1	M1 V5	M1-K3 PolarHBondContact O-N 3.23Å; K3-V5 PolarHBondContact O-N 3.24Å
4	E	53.5	Low	65.4	Low	174 Å²	174	124.1 Å²	124.1	81%	0.813	66%	0.656	S	S	*	*			trans	-57.6	106	159.6	-85	170.1	153.1	0	0	106.2	S2 D6	S2-E4 PolarHBondContact O-N 3.05Å; S2-E4 VanDerWaalsContact O-N 3.08Å; E4-D6 VanDerWaalsContact C-N 3.27Å; E4-D6 PolarHBondContact O-N 3.45Å
5	V	57	Low	66.8	Low	98 Å²	98	123.3 Å²	123.3	59%	0.594	64%	0.642	S	S	*	*			trans	-81.2	90.4	166.7	-174.6	0	0	0	0	104.8	K3 Y7	K3-V5 PolarHBondContact O-N 3.24Å; V5-Y7 HydrophobicContact CB-CD2 4.16Å; V5-Y7 HydrophobicContact CB-CE2 4.11Å; V5-Y7 HydrophobicContact CG1-CD2 3.47Å; V5-Y7 VanDerWaalsContact CG1-CD2 3.47Å; V5-Y7 HydrophobicContact CG1-CE2 3.35Å; V5-Y7 HydrophobicContact CG1-CG 4.19Å; V5-Y7 PolarHBondContact O-N 3.18Å
6	D	58.4	Low	68.1	Low	152 Å²	152	122.6 Å²	122.6	81%	0.813	64%	0.635	S	S	*	*			trans	-62.5	83.1	163	-87.1	-26.6	0	0	0	107.6	E4 N8	E4-D6 VanDerWaalsContact C-N 3.27Å; E4-D6 PolarHBondContact O-N 3.45Å; D6-N8 PolarHBondContact O-N 3.11Å
7	Y	62.3	Low	69.4	Low	166 Å²	166	123 Å²	123	65%	0.651	63%	0.633	S	S	*	*			trans	-62.4	129.7	163.9	-85.9	-82.9	0	0	0	107.6	V5 T9 L12	V5-Y7 HydrophobicContact CB-CD2 4.16Å; V5-Y7 HydrophobicContact CB-CE2 4.11Å; V5-Y7 HydrophobicContact CG1-CD2 3.47Å; V5-Y7 VanDerWaalsContact CG1-CD2 3.47Å; V5-Y7 HydrophobicContact CG1-CE2 3.35Å; V5-Y7 HydrophobicContact CG1-CG 4.19Å; V5-Y7 PolarHBondContact O-N 3.18Å; Y7-T9 PolarHBondContact O-N 3.05Å; Y7-L12 HydrophobicContact CG-CD1 4.45Å
8	N	70.2	Confident	70.5	Confident	123 Å²	123	118.1 Å²	118.1	66%	0.658	61%	0.607	S	S	*	*			trans	-59.3	96.7	175.2	-126.4	2.7	0	0	0	109.1	D6 S10 A11 L12	D6-N8 PolarHBondContact O-N 3.11Å; N8-S10 PolarHBondContact O-N 2.84Å; N8-S10 VanDerWaalsContact O-N 3.1Å; N8-A11 HydrophobicContact CB-CB 4.29Å; N8-A11 PolarHBondContact O-N 3.14Å; N8-L12 PolarHBondContact O-N 3.37Å
9	T	77.7	Confident	71.5	Confident	98 Å²	98	114.5 Å²	114.5	60%	0.601	59%	0.588	S	S	*	*	H	α-helix	trans	-54.5	-33.2	-173.4	-49.3	0	0	0	0	112.7	Y7 L12 L13	Y7-T9 PolarHBondContact O-N 3.05Å; T9-L12 PolarHBondContact O-N 3.47Å; T9-L13 HydrophobicContact CG2-CD1 4.42Å; T9-L13 WeakPolarHBondContact O-CG 3.38Å; T9-L13 PolarHBondContact O-N 3.19Å; T9-L13 VanDerWaalsContact O-N 3.1Å
10	S	80.5	Confident	72.5	Confident	77 Å²	77	112.5 Å²	112.5	54%	0.538	58%	0.579	S	S	.	*	H	α-helix	trans	-61.8	-44.9	176	51.9	0	0	0	0	113.1	N8 L12 L13 E14	N8-S10 PolarHBondContact O-N 2.84Å; N8-S10 VanDerWaalsContact O-N 3.1Å; S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 3.29Å; S10-L13 PolarHBondContact O-N 3.45Å; S10-E14 PolarHBondContact O-N 3.1Å
11	A	80.2	Confident	73.5	Confident	53 Å²	53	114.1 Å²	114.1	44%	0.438	58%	0.578	S	S	.	*	H	α-helix	trans	-67.1	-34.5	179.4	0	0	0	0	0	111.9	N8 Y15	N8-A11 HydrophobicContact CB-CB 4.29Å; N8-A11 PolarHBondContact O-N 3.14Å; A11-Y15 WeakPolarHBondContact O-CB 3.47Å; A11-Y15 PolarHBondContact O-N 3.02Å; A11-Y15 VanDerWaalsContact O-N 3.07Å
12	L	82.1	Confident	76.2	Confident	82 Å²	82	103.7 Å²	103.7	43%	0.429	53%	0.526	S	S	.	.	H	α-helix	trans	-65.5	-42.4	174.4	-70.9	174.6	0	0	0	111.9	Y7 N8 T9 S10 Y15 Q16	Y7-L12 HydrophobicContact CG-CD1 4.45Å; N8-L12 PolarHBondContact O-N 3.37Å; T9-L12 PolarHBondContact O-N 3.47Å; S10-L12 VanDerWaalsContact C-N 3.31Å; S10-L12 PolarHBondContact O-N 3.29Å; L12-Y15 PolarHBondContact O-N 3.15Å; L12-Q16 WeakPolarHBondContact O-CG 3.23Å; L12-Q16 PolarHBondContact O-N 3.31Å
13	L	84.2	Confident	78.5	Confident	93 Å²	93	100.2 Å²	100.2	49%	0.487	50%	0.497	S	S	.	.	H	α-helix	trans	-63.5	-45.8	177.1	-71.8	168.3	0	0	0	111.3	T9 S10 Y15 Q16 E17	T9-L13 HydrophobicContact CG2-CD1 4.42Å; T9-L13 WeakPolarHBondContact O-CG 3.38Å; T9-L13 PolarHBondContact O-N 3.19Å; T9-L13 VanDerWaalsContact O-N 3.1Å; S10-L13 PolarHBondContact O-N 3.45Å; L13-Y15 VanDerWaalsContact C-N 3.34Å; L13-Y15 PolarHBondContact O-N 2.86Å; L13-Q16 PolarHBondContact O-N 3.05Å; L13-E17 WeakPolarHBondContact O-CG 3.43Å; L13-E17 PolarHBondContact O-N 3.5Å
14	E	85	Confident	80.8	Confident	118 Å²	118	100.1 Å²	100.1	55%	0.551	49%	0.492	S	S	*	.	H	α-helix	trans	-60.8	-42.3	177.8	-171.5	174.3	-173.3	0	0	111.7	S10 Q16 E17 Q18	S10-E14 PolarHBondContact O-N 3.1Å; E14-Q16 PolarHBondContact O-N 3.22Å; E14-E17 PolarHBondContact O-N 2.8Å; E14-Q18 WeakPolarHBondContact O-CG 3.47Å; E14-Q18 PolarHBondContact O-N 3.05Å; E14-Q18 VanDerWaalsContact O-N 3.12Å
15	Y	86.4	Confident	82.6	Confident	113 Å²	113	93.1 Å²	93.1	44%	0.443	46%	0.463	S	S	.	.	H	α-helix	trans	-62.5	-42.9	175.5	-178.7	-107.2	0	0	0	112.6	A11 L12 L13 E17 Q18 L19 V90	A11-Y15 WeakPolarHBondContact O-CB 3.47Å; A11-Y15 PolarHBondContact O-N 3.02Å; A11-Y15 VanDerWaalsContact O-N 3.07Å; L12-Y15 PolarHBondContact O-N 3.15Å; L13-Y15 VanDerWaalsContact C-N 3.34Å; L13-Y15 PolarHBondContact O-N 2.86Å; Y15-E17 PolarHBondContact O-N 3.02Å; Y15-Q18 PolarHBondContact O-N 3.11Å; Y15-L19 HydrophobicContact CD1-CD1 3.96Å; Y15-L19 HydrophobicContact CD1-CG 4.46Å; Y15-L19 HydrophobicContact CE1-CD1 3.44Å; Y15-L19 VanDerWaalsContact CE1-CD1 3.44Å; Y15-L19 HydrophobicContact CE1-CG 4.07Å; Y15-L19 PolarHBondContact O-N 2.86Å; Y15-V90 HydrophobicContact CE2-CG2 3.66Å
16	Q	88	Confident	84.2	Confident	112 Å²	112	88.4 Å²	88.4	52%	0.523	43%	0.434	S	S	.	.	H	α-helix	trans	-64.7	-38.1	177	-74.7	-179.4	-15.9	0	0	112.7	L12 L13 E14 Q18 L19 N20	L12-Q16 WeakPolarHBondContact O-CG 3.23Å; L12-Q16 PolarHBondContact O-N 3.31Å; L13-Q16 PolarHBondContact O-N 3.05Å; E14-Q16 PolarHBondContact O-N 3.22Å; Q16-Q18 VanDerWaalsContact C-N 3.34Å; Q16-L19 PolarHBondContact O-N 3.12Å; Q16-N20 VanDerWaalsContact O-CG 3.32Å; Q16-N20 PolarHBondContact O-N 3.36Å; Q16-N20 PolarHBondContact O-ND2 3.35Å; Q16-N20 VanDerWaalsContact O-ND2 3.16Å
17	E	90	Very high	85.6	Confident	129 Å²	129	83.2 Å²	83.2	60%	0.603	41%	0.406	S	S	*	.	H	α-helix	trans	-62.5	-41	174.6	-73.7	179.3	-179.6	0	0	111.9	L13 E14 Y15 N20 R21	L13-E17 WeakPolarHBondContact O-CG 3.43Å; L13-E17 PolarHBondContact O-N 3.5Å; E14-E17 PolarHBondContact O-N 2.8Å; Y15-E17 PolarHBondContact O-N 3.02Å; E17-N20 PolarHBondContact O-N 3.44Å; E17-R21 WeakPolarHBondContact O-CB 3.38Å; E17-R21 PolarHBondContact O-N 3.4Å
18	Q	89.4	Confident	86.9	Confident	35 Å²	35	82.6 Å²	82.6	16%	0.164	41%	0.413	C	S	.	.	H	α-helix	trans	-64.9	-41.2	175.3	-64.7	-59	-21.7	0	0	112.3	E14 Y15 Q16 R21 L22	E14-Q18 WeakPolarHBondContact O-CG 3.47Å; E14-Q18 PolarHBondContact O-N 3.05Å; E14-Q18 VanDerWaalsContact O-N 3.12Å; Y15-Q18 PolarHBondContact O-N 3.11Å; Q16-Q18 VanDerWaalsContact C-N 3.34Å; Q18-R21 PolarHBondContact O-N 3.49Å; Q18-L22 WeakPolarHBondContact O-CB 3.38Å; Q18-L22 PolarHBondContact O-N 3.3Å
19	L	90.3	Very high	87.6	Confident	49 Å²	49	81.2 Å²	81.2	26%	0.257	40%	0.399	S	S	.	.	H	α-helix	trans	-61.3	-45.2	174.6	-72.3	178.7	0	0	0	111.9	Y15 Q16 R21 L22 E23 V90	Y15-L19 HydrophobicContact CD1-CD1 3.96Å; Y15-L19 HydrophobicContact CD1-CG 4.46Å; Y15-L19 HydrophobicContact CE1-CD1 3.44Å; Y15-L19 VanDerWaalsContact CE1-CD1 3.44Å; Y15-L19 HydrophobicContact CE1-CG 4.07Å; Y15-L19 PolarHBondContact O-N 2.86Å; Q16-L19 PolarHBondContact O-N 3.12Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.07Å; L19-L22 PolarHBondContact O-N 3.1Å; L19-E23 WeakPolarHBondContact O-CB 3.45Å; L19-E23 PolarHBondContact O-N 2.81Å; L19-V90 HydrophobicContact CD2-CB 4.5Å; L19-V90 HydrophobicContact CD2-CG1 3.83Å; L19-V90 HydrophobicContact CD2-CG2 3.87Å
20	N	91.8	Very high	88	Confident	74 Å²	74	76.9 Å²	76.9	40%	0.396	37%	0.372	S	S	.	.	H	α-helix	trans	-63.9	-37.9	177.2	-73.4	-35.5	0	0	0	112.1	Q16 E17 R24	Q16-N20 VanDerWaalsContact O-CG 3.32Å; Q16-N20 PolarHBondContact O-N 3.36Å; Q16-N20 PolarHBondContact O-ND2 3.35Å; Q16-N20 VanDerWaalsContact O-ND2 3.16Å; E17-N20 PolarHBondContact O-N 3.44Å; N20-R24 VanDerWaalsContact O-CG 3.32Å; N20-R24 WeakPolarHBondContact O-CG 3.21Å; N20-R24 PolarHBondContact O-N 3.17Å; N20-R24 VanDerWaalsContact O-N 3.1Å
21	R	92.9	Very high	88.3	Confident	148 Å²	148	76.3 Å²	76.3	56%	0.558	37%	0.366	S	S	*	.	H	α-helix	trans	-65.9	-44.2	175.2	-174.4	-173.8	175.8	-171.5	-1.2	111.2	E17 Q18 L19 R24 S25 Y87	E17-R21 WeakPolarHBondContact O-CB 3.38Å; E17-R21 PolarHBondContact O-N 3.4Å; Q18-R21 PolarHBondContact O-N 3.49Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.07Å; R21-R24 PolarHBondContact O-N 3.41Å; R21-S25 WeakPolarHBondContact O-CB 3.38Å; R21-S25 PolarHBondContact O-N 3.08Å; R21-S25 PolarHBondContact O-OG 3.07Å; R21-Y87 HydrophobicContact CG-CE1 4.2Å
22	L	93.1	Very high	88.7	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-59.8	-51.5	176.4	176.9	57.6	0	0	0	110.7	Q18 L19 R24 S25 I26 W82 Y87 V90 M93	Q18-L22 WeakPolarHBondContact O-CB 3.38Å; Q18-L22 PolarHBondContact O-N 3.3Å; L19-L22 PolarHBondContact O-N 3.1Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 2.83Å; L22-S25 PolarHBondContact O-N 3.3Å; L22-S25 PolarHBondContact O-OG 3.43Å; L22-I26 HydrophobicContact CD1-CG2 3.97Å; L22-I26 PolarHBondContact O-N 3.33Å; L22-I26 VanDerWaalsContact O-N 3.1Å; L22-W82 HydrophobicContact CD1-CB 3.88Å; L22-W82 HydrophobicContact CD1-CD2 3.64Å; L22-W82 HydrophobicContact CD1-CE3 4.23Å; L22-W82 HydrophobicContact CD1-CG 3.45Å; L22-W82 VanDerWaalsContact CD1-CG 3.45Å; L22-W82 HydrophobicContact CD2-CD2 4.24Å; L22-W82 HydrophobicContact CD2-CZ2 3.98Å; L22-W82 HydrophobicContact CG-CD2 4.48Å; L22-Y87 VanDerWaalsContact CA-CE1 3.47Å; L22-Y87 HydrophobicContact CB-CD1 3.57Å; L22-Y87 HydrophobicContact CB-CE1 3.79Å; L22-Y87 HydrophobicContact CB-CG 4.09Å; L22-Y87 HydrophobicContact CD1-CD1 4.08Å; L22-Y87 HydrophobicContact CD1-CD2 3.86Å; L22-Y87 HydrophobicContact CD1-CE1 3.96Å; L22-Y87 HydrophobicContact CD1-CE2 3.79Å; L22-Y87 HydrophobicContact CD1-CG 4Å; L22-Y87 HydrophobicContact CG-CD1 4.32Å; L22-Y87 HydrophobicContact CG-CE1 4.48Å; L22-Y87 HydrophobicContact CG-CG 4.42Å; L22-V90 HydrophobicContact CD2-CB 4.3Å; L22-V90 HydrophobicContact CD2-CG1 3.75Å; L22-M93 HydrophobicContact CD2-CG 3.85Å; L22-M93 HydrophobicContact CD2-SD 3.51Å; L22-M93 VanDerWaalsContact CD2-SD 3.51Å; L22-M93 HydrophobicContact CG-SD 3.61Å
23	E	91.4	Very high	89	Confident	39 Å²	39	79.1 Å²	79.1	18%	0.182	38%	0.377	C	S	.	.	H	α-helix	trans	-56.5	-47.2	179.7	-170.3	-174.9	-168.7	0	0	111.3	L19 S25 I26 L27 R99	L19-E23 WeakPolarHBondContact O-CB 3.45Å; L19-E23 PolarHBondContact O-N 2.81Å; E23-S25 VanDerWaalsContact C-N 3.31Å; E23-S25 PolarHBondContact O-N 3.48Å; E23-I26 VanDerWaalsContact O-CG1 3.31Å; E23-I26 WeakPolarHBondContact O-CG1 3.41Å; E23-L27 HydrophobicContact CG-CD1 3.67Å; E23-L27 HydrophobicContact CG-CG 4.28Å; E23-L27 WeakPolarHBondContact O-CB 3.44Å; E23-L27 WeakPolarHBondContact O-CG 3.46Å; E23-L27 PolarHBondContact O-N 2.95Å; E23-L27 VanDerWaalsContact O-N 3.13Å; E23-R99 VanDerWaalsContact CD-NH1 3.28Å; E23-R99 IonicContact OE1-CZ 3.27Å; E23-R99 IonicContact OE1-NH1 3.1Å; E23-R99 PolarHBondContact OE1-NH1 3.02Å; E23-R99 IonicContact OE2-NH1 3.78Å
24	R	91.7	Very high	89.3	Confident	169 Å²	169	79.8 Å²	79.8	64%	0.638	38%	0.381	S	S	*	.	H	α-helix	trans	-60.3	-41.5	175.7	-70.2	174.8	-165.5	144.6	4.1	112.1	N20 R21 L22 I26 L27 L28	N20-R24 VanDerWaalsContact O-CG 3.32Å; N20-R24 WeakPolarHBondContact O-CG 3.21Å; N20-R24 PolarHBondContact O-N 3.17Å; N20-R24 VanDerWaalsContact O-N 3.1Å; R21-R24 PolarHBondContact O-N 3.41Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 2.83Å; R24-I26 PolarHBondContact O-N 2.85Å; R24-L27 PolarHBondContact O-N 2.78Å; R24-L28 WeakPolarHBondContact O-CD1 3.38Å; R24-L28 WeakPolarHBondContact O-CG 3.39Å; R24-L28 PolarHBondContact O-N 3.02Å; R24-L28 VanDerWaalsContact O-N 3.13Å
25	S	91.1	Very high	89.7	Confident	27 Å²	27	75.9 Å²	75.9	19%	0.189	36%	0.361	C	S	.	.	H	α-helix	trans	-68.3	-34.3	-175	72.9	0	0	0	0	114.4	R21 L22 E23 R29 Y87	R21-S25 WeakPolarHBondContact O-CB 3.38Å; R21-S25 PolarHBondContact O-N 3.08Å; R21-S25 PolarHBondContact O-OG 3.07Å; L22-S25 PolarHBondContact O-N 3.3Å; L22-S25 PolarHBondContact O-OG 3.43Å; E23-S25 VanDerWaalsContact C-N 3.31Å; E23-S25 PolarHBondContact O-N 3.48Å; S25-R29 PolarHBondContact O-NE 2.98Å; S25-Y87 WeakPolarHBondContact CB-OH 3.38Å; S25-Y87 PolarHBondContact OG-OH 3.16Å
26	I	90.6	Very high	90.1	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-80.8	-36.9	177.1	68.6	178.2	0	0	0	111	L22 E23 R24 L28 R29 S30 L80 W82 M93 V95	L22-I26 HydrophobicContact CD1-CG2 3.97Å; L22-I26 PolarHBondContact O-N 3.33Å; L22-I26 VanDerWaalsContact O-N 3.1Å; E23-I26 VanDerWaalsContact O-CG1 3.31Å; E23-I26 WeakPolarHBondContact O-CG1 3.41Å; R24-I26 PolarHBondContact O-N 2.85Å; I26-L28 VanDerWaalsContact C-N 3.26Å; I26-L28 PolarHBondContact O-N 3.28Å; I26-R29 PolarHBondContact O-N 3.18Å; I26-S30 PolarHBondContact O-N 2.81Å; I26-S30 VanDerWaalsContact O-N 3.07Å; I26-L80 HydrophobicContact CB-CD2 3.96Å; I26-L80 HydrophobicContact CD1-CD2 4.13Å; I26-L80 HydrophobicContact CG1-CD2 4.14Å; I26-W82 HydrophobicContact CG2-CE3 4Å; I26-M93 HydrophobicContact CD1-CE 2.97Å; I26-M93 HydrophobicContact CD1-SD 3.73Å; I26-M93 HydrophobicContact CG1-CE 4.4Å; I26-V95 HydrophobicContact CD1-CG2 4.48Å
27	L	88.3	Confident	90.4	Very high	42 Å²	42	66.3 Å²	66.3	22%	0.22	32%	0.322	C	S	.	.	H	α-helix	trans	-75.2	-16.8	-177.4	-66.9	-178.7	0	0	0	112.9	E23 R24 R29 S30 V95 R99 I100	E23-L27 HydrophobicContact CG-CD1 3.67Å; E23-L27 HydrophobicContact CG-CG 4.28Å; E23-L27 WeakPolarHBondContact O-CB 3.44Å; E23-L27 WeakPolarHBondContact O-CG 3.46Å; E23-L27 PolarHBondContact O-N 2.95Å; E23-L27 VanDerWaalsContact O-N 3.13Å; R24-L27 PolarHBondContact O-N 2.78Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-S30 VanDerWaalsContact O-O 3.1Å; L27-V95 HydrophobicContact CD2-CG1 4.4Å; L27-R99 HydrophobicContact CD1-CB 4.14Å; L27-R99 HydrophobicContact CD1-CG 4.43Å; L27-R99 HydrophobicContact CD2-CB 3.79Å; L27-R99 WeakPolarHBondContact CD2-O 3.41Å; L27-I100 HydrophobicContact CD2-CG2 4.08Å
28	L	89.2	Confident	90.4	Very high	153 Å²	153	66.7 Å²	66.7	80%	0.801	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-21.7	168.2	-75.2	169.1	0	0	0	112.8	R24 I26	R24-L28 WeakPolarHBondContact O-CD1 3.38Å; R24-L28 WeakPolarHBondContact O-CG 3.39Å; R24-L28 PolarHBondContact O-N 3.02Å; R24-L28 VanDerWaalsContact O-N 3.13Å; I26-L28 VanDerWaalsContact C-N 3.26Å; I26-L28 PolarHBondContact O-N 3.28Å
29	R	85.1	Confident	90.6	Very high	94 Å²	94	68.5 Å²	68.5	36%	0.355	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-34	-178.1	-71	-178	-76	158.3	0	113	S25 I26 L27 Y81	S25-R29 PolarHBondContact O-NE 2.98Å; I26-R29 PolarHBondContact O-N 3.18Å; L27-R29 VanDerWaalsContact C-N 3.31Å; R29-Y81 PolarHBondContact NH1-O 2.88Å; R29-Y81 PolarHBondContact NH2-O 2.87Å
30	S	86	Confident	90.5	Very high	7 Å²	7	73.7 Å²	73.7	5%	0.049	36%	0.356	C	S	.	.			trans	-99.4	147.9	179.6	-174.6	0	0	0	0	111.1	I26 L27	I26-S30 PolarHBondContact O-N 2.81Å; I26-S30 VanDerWaalsContact O-N 3.07Å; L27-S30 VanDerWaalsContact O-O 3.1Å
31	T	86.9	Confident	90.5	Very high	66 Å²	66	77.5 Å²	77.5	41%	0.405	37%	0.369	S	S	.	.			trans	-123.1	135.4	173.5	59	0	0	0	0	109.3	N33 N34	T31-N33 PolarHBondContact O-N 2.9Å; T31-N33 VanDerWaalsContact O-N 3.08Å; T31-N34 PolarHBondContact O-N 3.1Å; T31-N34 WeakPolarHBondContact OG1-CB 3.35Å; T31-N34 PolarHBondContact OG1-ND2 3.5Å; T31-N34 VanDerWaalsContact OG1-ND2 3.09Å
32	P	88.7	Confident	90.5	Very high	54 Å²	54	75.1 Å²	75.1	35%	0.351	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-13.2	-175.8	26.2	-35	0	0	0	114.8
33	N	88	Confident	90.6	Very high	140 Å²	140	77 Å²	77	75%	0.749	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	-15.6	-174.2	-62	-29.8	0	0	0	114.2	T31	T31-N33 PolarHBondContact O-N 2.9Å; T31-N33 VanDerWaalsContact O-N 3.08Å
34	N	90.3	Very high	90.9	Very high	106 Å²	106	75.4 Å²	75.4	57%	0.567	37%	0.373	S	S	*	.	S	Bend	trans	-109.5	140.8	-175.2	-62.9	-26.5	0	0	0	110.2	T31 W101	T31-N34 PolarHBondContact O-N 3.1Å; T31-N34 WeakPolarHBondContact OG1-CB 3.35Å; T31-N34 PolarHBondContact OG1-ND2 3.5Å; T31-N34 VanDerWaalsContact OG1-ND2 3.09Å; N34-W101 VanDerWaalsContact C-CD1 3.43Å
35	R	93.9	Very high	91.1	Very high	37 Å²	37	70.7 Å²	70.7	14%	0.14	36%	0.359	C	S	.	.			trans	-56.7	136.3	176.2	-67.3	-172.2	-66.7	116.3	-1.4	110.1	V37 E40 L42 V44 W101 E173	R35-V37 HydrophobicContact CB-CG2 4.14Å; R35-V37 PolarHBondContact O-N 2.68Å; R35-E40 PolarHBondContact NH2-O 3.02Å; R35-E40 VanDerWaalsContact NH2-O 3.12Å; R35-L42 PolarHBondContact NH1-O 3.29Å; R35-V44 HydrophobicContact CB-CG2 3.98Å; R35-V44 HydrophobicContact CG-CG2 4.35Å; R35-W101 HydrophobicContact CG-CZ2 4.21Å; R35-E173 WeakPolarHBondContact CD-O 3.33Å; R35-E173 PolarHBondContact NH1-O 2.92Å
36	P	94.6	Very high	91.4	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.006	35%	0.35	C	S	.	.	S	Bend	trans	-84.8	52.2	-172.4	36.9	-41.2	0	0	0	112.3	V44 D77 D78 Y79 W101	P36-V44 HydrophobicContact CG-CG2 4.34Å; P36-D77 HydrophobicContact CB-CB 3.76Å; P36-D77 WeakPolarHBondContact CB-OD1 3.29Å; P36-D77 VanDerWaalsContact CB-OD2 3.29Å; P36-D77 WeakPolarHBondContact CB-OD2 3.25Å; P36-D77 HydrophobicContact CG-CB 4.23Å; P36-D78 WeakPolarHBondContact O-CB 3.38Å; P36-D78 PolarHBondContact O-N 3.12Å; P36-D78 VanDerWaalsContact O-N 3.17Å; P36-Y79 HydrophobicContact CB-CD2 4.29Å; P36-W101 HydrophobicContact CG-CD2 4.1Å; P36-W101 HydrophobicContact CG-CE3 3.64Å; P36-W101 HydrophobicContact CG-CZ3 4.12Å
37	V	94.2	Very high	91.7	Very high	22 Å²	22	72 Å²	72	13%	0.133	36%	0.363	C	S	.	.			trans	-119.4	144.8	176.2	-67.9	0	0	0	0	110.1	R35 D39 L42 V44 D78 Y79	R35-V37 HydrophobicContact CB-CG2 4.14Å; R35-V37 PolarHBondContact O-N 2.68Å; V37-D39 WeakPolarHBondContact CG2-O 3.36Å; V37-L42 HydrophobicContact CG1-CB 4.5Å; V37-V44 HydrophobicContact CG1-CG2 3.82Å; V37-D78 WeakPolarHBondContact CA-OD2 3.18Å; V37-Y79 PolarHBondContact O-OH 3.42Å
38	K	91.7	Very high	92	Very high	137 Å²	137	70 Å²	70	60%	0.596	35%	0.353	S	S	*	.	S	Bend	trans	-80.6	-28	172.9	-73.1	167.7	-179.1	154.6	0	113.6	D78	K38-D78 HydrophobicContact CD-CB 4.19Å; K38-D78 HydrophobicContact CG-CB 3.99Å; K38-D78 PolarHBondContact N-OD2 2.76Å; K38-D78 PolarHBondContact NZ-O 3.47Å
39	D	92.9	Very high	92.2	Very high	73 Å²	73	64.6 Å²	64.6	39%	0.39	32%	0.323	S	S	.	.	S	Bend	trans	-112	119.6	176.7	-176.8	-3.9	0	0	0	109.4	V37 K41 L42	V37-D39 WeakPolarHBondContact CG2-O 3.36Å; D39-K41 PolarHBondContact O-N 3.37Å; D39-K41 VanDerWaalsContact O-N 3.15Å; D39-K41 WeakPolarHBondContact OD1-CB 3.46Å; D39-K41 PolarHBondContact OD1-N 3.02Å; D39-L42 HydrophobicContact CB-CD1 3.95Å; D39-L42 HydrophobicContact CB-CG 4Å; D39-L42 WeakPolarHBondContact O-CB 3.32Å; D39-L42 PolarHBondContact O-N 3.47Å
40	E	88.3	Confident	92.5	Very high	159 Å²	159	60.1 Å²	60.1	74%	0.743	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-28.4	179.5	-174.4	-179.4	-176.8	0	0	112.6	R35 L42	R35-E40 PolarHBondContact NH2-O 3.02Å; R35-E40 VanDerWaalsContact NH2-O 3.12Å; E40-L42 PolarHBondContact O-N 2.89Å
41	K	91	Very high	92.8	Very high	154 Å²	154	60.1 Å²	60.1	67%	0.67	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-17.2	-179.6	-64	177.8	179.8	176	0	113.4	D39 K172	D39-K41 PolarHBondContact O-N 3.37Å; D39-K41 VanDerWaalsContact O-N 3.15Å; D39-K41 WeakPolarHBondContact OD1-CB 3.46Å; D39-K41 PolarHBondContact OD1-N 3.02Å; K41-K172 PolarHBondContact O-NZ 3.35Å
42	L	94.2	Very high	93	Very high	98 Å²	98	57 Å²	57	51%	0.513	29%	0.286	S	S	.	.	S	Bend	trans	-87.5	136.4	178.9	-62.1	177.7	0	0	0	110.6	R35 V37 D39 E40	R35-L42 PolarHBondContact NH1-O 3.29Å; V37-L42 HydrophobicContact CG1-CB 4.5Å; D39-L42 HydrophobicContact CB-CD1 3.95Å; D39-L42 HydrophobicContact CB-CG 4Å; D39-L42 WeakPolarHBondContact O-CB 3.32Å; D39-L42 PolarHBondContact O-N 3.47Å; E40-L42 PolarHBondContact O-N 2.89Å
43	S	94.9	Very high	92.9	Very high	40 Å²	40	56.1 Å²	56.1	28%	0.28	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-81.3	143.4	170.1	57	0	0	0	0	110.3	I45 K172 E173	S43-I45 PolarHBondContact O-N 3.38Å; S43-K172 WeakPolarHBondContact CB-O 3.41Å; S43-E173 CarbonylContact C-O 3.51Å; S43-E173 WeakPolarHBondContact CA-O 3.36Å
44	V	96.9	Very high	92.9	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.03	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	121.3	167.2	-176.9	0	0	0	0	108	R35 P36 V37 V46 W75 W101 E173 L174 D175	R35-V44 HydrophobicContact CB-CG2 3.98Å; R35-V44 HydrophobicContact CG-CG2 4.35Å; P36-V44 HydrophobicContact CG-CG2 4.34Å; V37-V44 HydrophobicContact CG1-CG2 3.82Å; V44-V46 HydrophobicContact CG1-CG2 4.13Å; V44-W75 HydrophobicContact CG1-CB 4.39Å; V44-W101 HydrophobicContact CB-CH2 4.13Å; V44-W101 HydrophobicContact CG1-CH2 3.8Å; V44-W101 HydrophobicContact CG1-CZ3 3.8Å; V44-W101 HydrophobicContact CG2-CH2 4.18Å; V44-E173 PolarHBondContact N-O 3.44Å; V44-L174 HydrophobicContact CB-CD1 4.04Å; V44-L174 HydrophobicContact CG1-CD1 4.36Å; V44-L174 WeakPolarHBondContact O-CA 3.32Å; V44-D175 PolarHBondContact O-N 2.92Å
45	I	97	Very high	93	Very high	70 Å²	70	47.4 Å²	47.4	36%	0.359	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	120.6	174.4	-60.3	169	0	0	0	108.3	S43 L47 D175 R177	S43-I45 PolarHBondContact O-N 3.38Å; I45-L47 HydrophobicContact CG2-CD2 4.35Å; I45-D175 WeakPolarHBondContact CA-O 3.48Å; I45-R177 HydrophobicContact CG2-CG 4.28Å
46	V	96.9	Very high	92.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	117.2	176.1	178.2	0	0	0	0	108.8	V44 L73 W75 P103 L174 D175 I176 R177	V44-V46 HydrophobicContact CG1-CG2 4.13Å; V46-L73 HydrophobicContact CG1-CB 4.27Å; V46-L73 HydrophobicContact CG1-CD2 4.08Å; V46-W75 HydrophobicContact CG2-CB 4.14Å; V46-P103 HydrophobicContact CG1-CG 4.28Å; V46-P103 HydrophobicContact CG2-CB 4.32Å; V46-P103 HydrophobicContact CG2-CG 4.2Å; V46-L174 HydrophobicContact CG2-CD1 3.61Å; V46-D175 PolarHBondContact N-O 2.87Å; V46-I176 WeakPolarHBondContact O-CA 3.32Å; V46-R177 PolarHBondContact O-N 3.32Å
47	L	97	Very high	92.6	Very high	53 Å²	53	52.5 Å²	52.5	28%	0.277	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.6	169.2	-56.1	-178	0	0	0	108.8	I45 L73 L74 R177 L179	I45-L47 HydrophobicContact CG2-CD2 4.35Å; L47-L73 WeakPolarHBondContact O-CA 3.44Å; L47-L74 HydrophobicContact CB-CB 4.16Å; L47-L74 HydrophobicContact CD1-CD2 3.98Å; L47-L74 HydrophobicContact CD1-CG 4.39Å; L47-L74 PolarHBondContact N-O 2.98Å; L47-L74 PolarHBondContact O-N 2.89Å; L47-R177 CarbonylContact C-O 3.59Å; L47-R177 WeakPolarHBondContact CA-O 3.36Å; L47-R177 HydrophobicContact CD2-CB 3.98Å; L47-L179 HydrophobicContact CB-CB 4.44Å; L47-L179 HydrophobicContact CB-CD1 4.27Å; L47-L179 HydrophobicContact CD1-CD1 3.93Å
48	F	94.6	Very high	92.5	Very high	1 Å²	1	52 Å²	52	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.2	-172.8	-179.8	-81.4	0	0	0	111	A50 H71 Y72 L73 L105 L164 I176 R177 S178 L179 L206 V235 I237	F48-A50 HydrophobicContact CE1-CB 4.11Å; F48-A50 HydrophobicContact CZ-CB 4.28Å; F48-H71 HydrophobicContact CE2-CB 3.82Å; F48-H71 AromaticContact CE2-CG 3.79Å; F48-H71 AromaticContact CE2-ND1 3.73Å; F48-H71 HydrophobicContact CZ-CB 4.18Å; F48-H71 AromaticContact CZ-CG 3.85Å; F48-H71 AromaticContact CZ-ND1 3.28Å; F48-H71 VanDerWaalsContact CZ-ND1 3.28Å; F48-H71 WeakPolarHBondContact CZ-ND1 3.36Å; F48-Y72 WeakPolarHBondContact CA-O 3.46Å; F48-L73 HydrophobicContact CD2-CD2 4.42Å; F48-L73 HydrophobicContact CD2-CG 4.2Å; F48-L105 HydrophobicContact CD2-CD1 4.08Å; F48-L105 HydrophobicContact CE2-CD1 4.02Å; F48-L164 HydrophobicContact CE2-CD1 4.33Å; F48-L164 HydrophobicContact CZ-CD1 3.9Å; F48-I176 HydrophobicContact CB-CG2 3.78Å; F48-I176 HydrophobicContact CG-CG2 4.4Å; F48-R177 PolarHBondContact N-O 2.86Å; F48-S178 WeakPolarHBondContact O-CA 3.06Å; F48-L179 PolarHBondContact O-N 2.85Å; F48-L206 HydrophobicContact CD1-CD1 3.85Å; F48-L206 HydrophobicContact CE1-CD1 3.79Å; F48-V235 HydrophobicContact CD1-CG1 3.8Å; F48-V235 HydrophobicContact CD1-CG2 4.35Å; F48-V235 HydrophobicContact CE1-CG1 3.56Å; F48-V235 HydrophobicContact CG-CG2 4.47Å; F48-V235 HydrophobicContact CZ-CG1 4.22Å; F48-I237 HydrophobicContact CE1-CD1 4.34Å; F48-I237 HydrophobicContact CZ-CD1 4.45Å
49	Y	93	Very high	92.6	Very high	40 Å²	40	47 Å²	47	16%	0.157	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	167.2	156.6	73.5	-95.6	0	0	0	109.9	V51 F70 H71 Y72 L179	Y49-V51 HydrophobicContact CD2-CG2 4.03Å; Y49-V51 HydrophobicContact CE2-CG2 3.65Å; Y49-F70 HydrophobicContact CE2-CE2 4.2Å; Y49-H71 CarbonylContact O-C 3.57Å; Y49-Y72 AromaticContact CD1-CD1 3.41Å; Y49-Y72 HydrophobicContact CD1-CD1 3.41Å; Y49-Y72 VanDerWaalsContact CD1-CD1 3.41Å; Y49-Y72 HydrophobicContact CD1-CE1 4.26Å; Y49-Y72 AromaticContact CD1-CG 3.72Å; Y49-Y72 HydrophobicContact CD1-CG 3.72Å; Y49-Y72 AromaticContact CE1-CD1 2.98Å; Y49-Y72 HydrophobicContact CE1-CD1 2.98Å; Y49-Y72 AromaticContact CE1-CD2 3.81Å; Y49-Y72 HydrophobicContact CE1-CD2 3.81Å; Y49-Y72 AromaticContact CE1-CE1 3.65Å; Y49-Y72 HydrophobicContact CE1-CE1 3.65Å; Y49-Y72 HydrophobicContact CE1-CE2 4.4Å; Y49-Y72 AromaticContact CE1-CG 3.04Å; Y49-Y72 HydrophobicContact CE1-CG 3.04Å; Y49-Y72 HydrophobicContact CE2-CG 4.29Å; Y49-Y72 AromaticContact CZ-CD1 3.82Å; Y49-Y72 AromaticContact CZ-CD2 3.8Å; Y49-Y72 AromaticContact CZ-CG 3.34Å; Y49-Y72 PolarHBondContact N-O 3.36Å; Y49-Y72 PolarHBondContact O-N 3.16Å; Y49-Y72 WeakPolarHBondContact OH-CD2 3.38Å; Y49-L179 HydrophobicContact CD1-CB 4.13Å; Y49-L179 HydrophobicContact CD1-CD2 3.47Å; Y49-L179 VanDerWaalsContact CD1-CD2 3.47Å; Y49-L179 HydrophobicContact CD1-CG 4.36Å; Y49-L179 HydrophobicContact CE1-CD2 3.72Å
50	A	92.3	Very high	92.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	151.8	175.7	0	0	0	0	0	110.7	F48 F70 P183 I184 I237	F48-A50 HydrophobicContact CE1-CB 4.11Å; F48-A50 HydrophobicContact CZ-CB 4.28Å; A50-F70 WeakPolarHBondContact CA-O 3.37Å; A50-P183 WeakPolarHBondContact O-CA 3.43Å; A50-P183 WeakPolarHBondContact O-CB 3.44Å; A50-I184 PolarHBondContact O-N 2.77Å; A50-I237 HydrophobicContact CB-CD1 3.59Å
51	V	91.5	Very high	92.4	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.036	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.3	170.3	-178.1	0	0	0	0	107.6	Y49 G69 F70 I184 N186	Y49-V51 HydrophobicContact CD2-CG2 4.03Å; Y49-V51 HydrophobicContact CE2-CG2 3.65Å; V51-G69 CarbonylContact O-C 3.55Å; V51-G69 WeakPolarHBondContact O-CA 3.48Å; V51-F70 HydrophobicContact CB-CD1 3.91Å; V51-F70 HydrophobicContact CB-CD2 4.2Å; V51-F70 HydrophobicContact CB-CE1 3.45Å; V51-F70 VanDerWaalsContact CB-CE1 3.45Å; V51-F70 HydrophobicContact CB-CE2 3.78Å; V51-F70 HydrophobicContact CB-CG 4.27Å; V51-F70 HydrophobicContact CB-CZ 3.39Å; V51-F70 HydrophobicContact CG1-CD1 4.33Å; V51-F70 HydrophobicContact CG1-CE1 3.61Å; V51-F70 HydrophobicContact CG1-CZ 3.81Å; V51-F70 HydrophobicContact CG2-CD2 4.15Å; V51-F70 HydrophobicContact CG2-CE1 3.88Å; V51-F70 HydrophobicContact CG2-CE2 3.38Å; V51-F70 HydrophobicContact CG2-CZ 3.22Å; V51-F70 PolarHBondContact N-O 2.86Å; V51-F70 PolarHBondContact O-N 2.83Å; V51-I184 VanDerWaalsContact CA-O 3.27Å; V51-I184 WeakPolarHBondContact CA-O 3.44Å; V51-I184 HydrophobicContact CG1-CB 4.3Å; V51-I184 HydrophobicContact CG1-CG2 4.49Å; V51-I184 WeakPolarHBondContact CG1-O 3.48Å; V51-I184 HydrophobicContact CG2-CB 4.04Å; V51-N186 HydrophobicContact CG1-CB 4.07Å
52	L	90.7	Very high	92.3	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.01	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123	177.1	-73.2	70.9	0	0	0	107.5	V67 P183 I184 L185 N186 V204 I237 I239	L52-V67 HydrophobicContact CD2-CG1 4.05Å; L52-V67 HydrophobicContact CG-CG1 4.14Å; L52-P183 HydrophobicContact CD1-CB 3.99Å; L52-I184 PolarHBondContact N-O 3.21Å; L52-L185 HydrophobicContact CB-CD1 3.95Å; L52-N186 CarbonylContact O-C 3.52Å; L52-N186 PolarHBondContact O-N 2.83Å; L52-V204 HydrophobicContact CD1-CG1 4.07Å; L52-V204 HydrophobicContact CD2-CG1 3.96Å; L52-V204 HydrophobicContact CD2-CG2 4.2Å; L52-I237 HydrophobicContact CD1-CG2 4.23Å; L52-I239 HydrophobicContact CD2-CD1 3.36Å; L52-I239 HydrophobicContact CD2-CG1 3.84Å
53	E	88	Confident	92.2	Very high	35 Å²	35	41.8 Å²	41.8	16%	0.164	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-36.4	-177.1	-68.8	-177.4	152.3	0	0	111.7	H68 F70 M139 N186 L187 L188	E53-H68 PolarHBondContact N-O 2.97Å; E53-F70 HydrophobicContact CG-CD1 4.42Å; E53-M139 VanDerWaalsContact OE2-CE 3.25Å; E53-M139 WeakPolarHBondContact OE2-CE 3.39Å; E53-N186 WeakPolarHBondContact CA-O 3.43Å; E53-L187 CarbonylContact O-C 3.59Å; E53-L187 WeakPolarHBondContact O-CA 3.28Å; E53-L188 HydrophobicContact CB-CD1 4.07Å; E53-L188 HydrophobicContact CG-CD1 4.18Å
54	H	87.6	Confident	92.2	Very high	60 Å²	60	39.9 Å²	39.9	28%	0.278	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	138.6	-176	-174.8	59.8	0	0	0	112.2	H68 W189	H54-H68 HydrophobicContact CB-CB 4.24Å; H54-H68 PolarHBondContact N-O 3.37Å; H54-H68 PolarHBondContact O-N 3.04Å; H54-W189 AromaticContact CE1-CH2 3.72Å; H54-W189 AromaticContact CE1-CZ3 3.85Å; H54-W189 AromaticContact ND1-CH2 3.66Å; H54-W189 AromaticContact ND1-CZ3 3.6Å
55	I	91	Very high	92	Very high	3 Å²	3	39.7 Å²	39.7	2%	0.015	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	109.2	165.8	-58.3	169.4	0	0	0	106.5	V58 M65 V67 V196 V201 I239 L241	I55-V58 HydrophobicContact CG2-CG2 3.84Å; I55-M65 HydrophobicContact CG2-CG 4.31Å; I55-V67 HydrophobicContact CG1-CG2 4.4Å; I55-V196 HydrophobicContact CB-CB 4.32Å; I55-V196 HydrophobicContact CB-CG1 3.76Å; I55-V196 WeakPolarHBondContact O-CG1 3.14Å; I55-V201 HydrophobicContact CD1-CG2 3.61Å; I55-I239 HydrophobicContact CD1-CG2 4.31Å; I55-L241 HydrophobicContact CD1-CD2 3.7Å
56	E	89.4	Confident	91.9	Very high	80 Å²	80	36.7 Å²	36.7	37%	0.374	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-49.6	-177	170.7	-176.7	174.6	0	0	110.9	T66 H68 R141	E56-T66 HydrophobicContact CB-CG2 4.13Å; E56-T66 HydrophobicContact CG-CG2 4.44Å; E56-T66 PolarHBondContact N-O 2.87Å; E56-T66 WeakPolarHBondContact OE2-CG2 3.22Å; E56-H68 WeakPolarHBondContact CB-NE2 3.34Å; E56-H68 IonicContact OE2-CD2 3.19Å; E56-H68 IonicContact OE2-CE1 2.75Å; E56-H68 PolarHBondContact OE2-CE1 3.13Å; E56-H68 IonicContact OE2-NE2 3.97Å; E56-H68 PolarHBondContact OE2-NE2 2.77Å; E56-R141 IonicContact OE1-NH1 3.5Å; E56-R141 PolarHBondContact OE1-NH1 2.97Å; E56-R141 IonicContact OE2-NH1 3.57Å; E56-R141 PolarHBondContact OE2-NH1 2.73Å; E56-R141 VanDerWaalsContact OE2-NH1 3.09Å
57	N	91.2	Very high	91.6	Very high	64 Å²	64	36.7 Å²	36.7	34%	0.342	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	148.1	-175.9	-166.4	20.8	0	0	0	111.8	M65 T66	N57-M65 CarbonylContact O-C 3.58Å; N57-M65 WeakPolarHBondContact O-CA 3.48Å; N57-T66 PolarHBondContact N-O 3.47Å; N57-T66 PolarHBondContact O-N 2.98Å
58	V	93.3	Very high	91.3	Very high	11 Å²	11	36.7 Å²	36.7	7%	0.067	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	102.2	168.9	-176.9	0	0	0	0	105.6	I55 M65 F148 W199 L241	I55-V58 HydrophobicContact CG2-CG2 3.84Å; V58-M65 HydrophobicContact CG2-CG 4.28Å; V58-F148 HydrophobicContact CG1-CE1 3.62Å; V58-F148 HydrophobicContact CG1-CZ 3.5Å; V58-W199 HydrophobicContact CG1-CD2 4.46Å; V58-W199 HydrophobicContact CG1-CZ2 4.07Å; V58-W199 HydrophobicContact CG2-CG 4.27Å; V58-L241 HydrophobicContact CG2-CD1 3.98Å
59	N	92	Very high	91.1	Very high	33 Å²	33	36.7 Å²	36.7	18%	0.176	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	104.3	-177.5	-170.1	-21.2	0	0	0	110.1	E61 Q62 Q63 S64	N59-E61 VanDerWaalsContact C-N 3.31Å; N59-E61 PolarHBondContact O-N 2.98Å; N59-E61 PolarHBondContact OD1-N 3.33Å; N59-Q62 HydrophobicContact CB-CB 4.28Å; N59-Q62 WeakPolarHBondContact ND2-CG 3.24Å; N59-Q62 PolarHBondContact ND2-OE1 3.17Å; N59-Q62 PolarHBondContact OD1-N 2.85Å; N59-Q62 VanDerWaalsContact OD1-N 3.12Å; N59-Q63 WeakPolarHBondContact O-CA 3.4Å; N59-Q63 PolarHBondContact O-N 3.2Å; N59-S64 PolarHBondContact N-O 3.08Å; N59-S64 PolarHBondContact O-N 2.86Å
60	E	89.4	Confident	91	Very high	38 Å²	38	36.9 Å²	36.9	18%	0.178	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-30.3	179.5	-65.2	171.2	-142.5	0	0	112.5	F150 W199 R243 P298	E60-F150 HydrophobicContact CB-CE1 4.45Å; E60-F150 HydrophobicContact CB-CZ 3.96Å; E60-F150 HydrophobicContact CG-CE1 4.21Å; E60-F150 HydrophobicContact CG-CZ 4.17Å; E60-W199 HydrophobicContact CG-CZ2 4.19Å; E60-W199 WeakPolarHBondContact OE1-CZ2 3.42Å; E60-R243 VanDerWaalsContact CD-NH1 3.27Å; E60-R243 IonicContact OE1-CZ 3.36Å; E60-R243 IonicContact OE1-NH1 2.69Å; E60-R243 PolarHBondContact OE1-NH1 3.12Å; E60-R243 IonicContact OE1-NH2 2.74Å; E60-R243 PolarHBondContact OE1-NH2 3.48Å; E60-R243 IonicContact OE2-CZ 3.39Å; E60-R243 IonicContact OE2-NH1 3.81Å; E60-R243 PolarHBondContact OE2-NH1 2.68Å; E60-R243 VanDerWaalsContact OE2-NH1 3.12Å; E60-R243 IonicContact OE2-NH2 3.61Å; E60-R243 PolarHBondContact OE2-NH2 2.93Å; E60-P298 HydrophobicContact CB-CB 4.38Å; E60-P298 WeakPolarHBondContact OE2-CB 3.19Å
61	E	88	Confident	91	Very high	156 Å²	156	37 Å²	37	73%	0.729	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-44.2	179.8	-54.4	-167.9	151.5	0	0	112.9	N59 P299	N59-E61 VanDerWaalsContact C-N 3.31Å; N59-E61 PolarHBondContact O-N 2.98Å; N59-E61 PolarHBondContact OD1-N 3.33Å; E61-P299 VanDerWaalsContact CA-CG 3.48Å; E61-P299 HydrophobicContact CB-CG 3.98Å; E61-P299 HydrophobicContact CG-CG 3.9Å
62	Q	90.1	Very high	91	Very high	134 Å²	134	37.9 Å²	37.9	63%	0.626	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-1.4	177.5	-67.1	178.7	-24	0	0	112.7	N59 S64	N59-Q62 HydrophobicContact CB-CB 4.28Å; N59-Q62 WeakPolarHBondContact ND2-CG 3.24Å; N59-Q62 PolarHBondContact ND2-OE1 3.17Å; N59-Q62 PolarHBondContact OD1-N 2.85Å; N59-Q62 VanDerWaalsContact OD1-N 3.12Å; Q62-S64 PolarHBondContact O-N 3.26Å
63	Q	92.2	Very high	91.2	Very high	46 Å²	46	37.8 Å²	37.8	22%	0.215	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	48.1	-174.2	-62.7	-158.3	-25.9	0	0	112.1	N59 C146 F148 T301	N59-Q63 WeakPolarHBondContact O-CA 3.4Å; N59-Q63 PolarHBondContact O-N 3.2Å; Q63-C146 WeakPolarHBondContact CB-O 3.33Å; Q63-C146 PolarHBondContact O-N 3.09Å; Q63-C146 VanDerWaalsContact O-O 3.14Å; Q63-F148 HydrophobicContact CB-CD2 3.99Å; Q63-F148 HydrophobicContact CB-CE2 4.4Å; Q63-F148 HydrophobicContact CG-CD2 4.19Å; Q63-T301 PolarHBondContact NE2-OG1 3.42Å
64	S	93.7	Very high	91.7	Very high	1 Å²	1	37 Å²	37	1%	0.007	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	159.1	-174.3	67	0	0	0	0	113.1	N59 Q62 H143 V144	N59-S64 PolarHBondContact N-O 3.08Å; N59-S64 PolarHBondContact O-N 2.86Å; Q62-S64 PolarHBondContact O-N 3.26Å; S64-H143 PolarHBondContact OG-CE1 2.82Å; S64-H143 PolarHBondContact OG-NE2 2.96Å; S64-V144 CarbonylContact C-O 3.5Å; S64-V144 WeakPolarHBondContact CA-O 3.27Å; S64-V144 WeakPolarHBondContact CB-O 3.2Å
65	M	94.1	Very high	92.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	138.1	178.2	175.4	-175	63.1	0	0	109.5	I55 N57 V58 V67 V144 C160 I239 L241	I55-M65 HydrophobicContact CG2-CG 4.31Å; N57-M65 CarbonylContact O-C 3.58Å; N57-M65 WeakPolarHBondContact O-CA 3.48Å; V58-M65 HydrophobicContact CG2-CG 4.28Å; M65-V67 HydrophobicContact CE-CG2 3.65Å; M65-V67 HydrophobicContact CG-CG2 3.73Å; M65-V67 HydrophobicContact SD-CG2 3.73Å; M65-V144 HydrophobicContact CB-CG2 4.08Å; M65-V144 HydrophobicContact CE-CG2 3.62Å; M65-V144 PolarHBondContact N-O 3.5Å; M65-V144 WeakPolarHBondContact O-CG2 3.3Å; M65-V144 PolarHBondContact O-N 3.32Å; M65-C160 HydrophobicContact CE-CB 3.37Å; M65-C160 HydrophobicContact SD-CB 3.86Å; M65-I239 HydrophobicContact CE-CD1 3.69Å; M65-I239 HydrophobicContact CE-CG1 4.44Å; M65-I239 HydrophobicContact SD-CD1 4.15Å; M65-L241 HydrophobicContact SD-CD1 3.91Å
66	T	93	Very high	92.4	Very high	7 Å²	7	39 Å²	39	4%	0.043	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.1	175.4	-48.7	0	0	0	0	110.4	E56 N57 R141 H142 H143	E56-T66 HydrophobicContact CB-CG2 4.13Å; E56-T66 HydrophobicContact CG-CG2 4.44Å; E56-T66 PolarHBondContact N-O 2.87Å; E56-T66 WeakPolarHBondContact OE2-CG2 3.22Å; N57-T66 PolarHBondContact N-O 3.47Å; N57-T66 PolarHBondContact O-N 2.98Å; T66-R141 HydrophobicContact CG2-CG 3.82Å; T66-H142 VanDerWaalsContact CA-O 3.31Å; T66-H142 WeakPolarHBondContact CA-O 3.3Å; T66-H143 PolarHBondContact OG1-ND1 2.86Å
67	V	91.6	Very high	92.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	140.4	-176.7	-173.2	0	0	0	0	110.7	L52 I55 M65 F140 R141 H142 I162 I239	L52-V67 HydrophobicContact CD2-CG1 4.05Å; L52-V67 HydrophobicContact CG-CG1 4.14Å; I55-V67 HydrophobicContact CG1-CG2 4.4Å; M65-V67 HydrophobicContact CE-CG2 3.65Å; M65-V67 HydrophobicContact CG-CG2 3.73Å; M65-V67 HydrophobicContact SD-CG2 3.73Å; V67-F140 HydrophobicContact CG1-CE2 4.34Å; V67-R141 CarbonylContact O-C 3.51Å; V67-R141 WeakPolarHBondContact O-CA 3.41Å; V67-H142 PolarHBondContact N-O 3.23Å; V67-H142 PolarHBondContact O-N 3.07Å; V67-I162 HydrophobicContact CB-CD1 4.16Å; V67-I162 HydrophobicContact CG1-CD1 4.37Å; V67-I162 HydrophobicContact CG2-CD1 4.31Å; V67-I239 HydrophobicContact CG1-CD1 4.3Å; V67-I239 HydrophobicContact CG2-CD1 3.85Å
68	H	90.1	Very high	92.9	Very high	53 Å²	53	33.9 Å²	33.9	25%	0.245	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	149	174.7	-59.8	-105.2	0	0	0	110.8	E53 H54 E56 F140 R141	E53-H68 PolarHBondContact N-O 2.97Å; H54-H68 HydrophobicContact CB-CB 4.24Å; H54-H68 PolarHBondContact N-O 3.37Å; H54-H68 PolarHBondContact O-N 3.04Å; E56-H68 WeakPolarHBondContact CB-NE2 3.34Å; E56-H68 IonicContact OE2-CD2 3.19Å; E56-H68 IonicContact OE2-CE1 2.75Å; E56-H68 PolarHBondContact OE2-CE1 3.13Å; E56-H68 IonicContact OE2-NE2 3.97Å; E56-H68 PolarHBondContact OE2-NE2 2.77Å; H68-F140 WeakPolarHBondContact CA-O 3.31Å; H68-R141 VanDerWaalsContact CE1-CD 3.44Å; H68-R141 WeakPolarHBondContact CE1-CD 3.18Å; H68-R141 VanDerWaalsContact CE1-CG 3.4Å; H68-R141 WeakPolarHBondContact CE1-CG 3.48Å
69	G	90.7	Very high	92.9	Very high	1 Å²	1	37 Å²	37	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.5	-156.2	172.9	0	0	0	0	0	111.3	V51 M139 F140	V51-G69 CarbonylContact O-C 3.55Å; V51-G69 WeakPolarHBondContact O-CA 3.48Å; G69-M139 CarbonylContact O-C 3.49Å; G69-M139 VanDerWaalsContact O-CA 3.3Å; G69-M139 WeakPolarHBondContact O-CA 3.13Å; G69-F140 VanDerWaalsContact C-CD1 3.43Å; G69-F140 PolarHBondContact N-O 2.74Å; G69-F140 VanDerWaalsContact O-CD1 3.3Å; G69-F140 WeakPolarHBondContact O-CD1 3.5Å; G69-F140 PolarHBondContact O-N 2.9Å
70	F	90.4	Very high	93	Very high	44 Å²	44	35.5 Å²	35.5	19%	0.193	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	146.5	172.5	62.2	-91	0	0	0	112.4	Y49 A50 V51 E53 F137 P138 M139 F140	Y49-F70 HydrophobicContact CE2-CE2 4.2Å; A50-F70 WeakPolarHBondContact CA-O 3.37Å; V51-F70 HydrophobicContact CB-CD1 3.91Å; V51-F70 HydrophobicContact CB-CD2 4.2Å; V51-F70 HydrophobicContact CB-CE1 3.45Å; V51-F70 VanDerWaalsContact CB-CE1 3.45Å; V51-F70 HydrophobicContact CB-CE2 3.78Å; V51-F70 HydrophobicContact CB-CG 4.27Å; V51-F70 HydrophobicContact CB-CZ 3.39Å; V51-F70 HydrophobicContact CG1-CD1 4.33Å; V51-F70 HydrophobicContact CG1-CE1 3.61Å; V51-F70 HydrophobicContact CG1-CZ 3.81Å; V51-F70 HydrophobicContact CG2-CD2 4.15Å; V51-F70 HydrophobicContact CG2-CE1 3.88Å; V51-F70 HydrophobicContact CG2-CE2 3.38Å; V51-F70 HydrophobicContact CG2-CZ 3.22Å; V51-F70 PolarHBondContact N-O 2.86Å; V51-F70 PolarHBondContact O-N 2.83Å; E53-F70 HydrophobicContact CG-CD1 4.42Å; F70-F137 HydrophobicContact CD2-CB 4.47Å; F70-P138 CarbonylContact C-O 3.59Å; F70-P138 WeakPolarHBondContact CA-O 3.45Å; F70-P138 WeakPolarHBondContact CB-O 3.46Å; F70-M139 HydrophobicContact CB-SD 3.65Å; F70-M139 HydrophobicContact CD1-SD 4.16Å; F70-M139 HydrophobicContact CG-SD 4.29Å; F70-F140 VanDerWaalsContact N-CE1 3.32Å
71	H	92.4	Very high	93.2	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	154.6	164.3	-56.4	-52.6	0	0	0	108.4	F48 Y49 L73 F137 P138 F140 H142 L164	F48-H71 HydrophobicContact CE2-CB 3.82Å; F48-H71 AromaticContact CE2-CG 3.79Å; F48-H71 AromaticContact CE2-ND1 3.73Å; F48-H71 HydrophobicContact CZ-CB 4.18Å; F48-H71 AromaticContact CZ-CG 3.85Å; F48-H71 AromaticContact CZ-ND1 3.28Å; F48-H71 VanDerWaalsContact CZ-ND1 3.28Å; F48-H71 WeakPolarHBondContact CZ-ND1 3.36Å; Y49-H71 CarbonylContact O-C 3.57Å; H71-L73 HydrophobicContact CB-CD1 3.75Å; H71-F137 CarbonylContact O-C 3.48Å; H71-F137 VanDerWaalsContact O-C 3.3Å; H71-F137 WeakPolarHBondContact O-CA 3.48Å; H71-P138 HydrophobicContact CB-CG 4.19Å; H71-P138 PolarHBondContact N-O 3.49Å; H71-P138 VanDerWaalsContact O-CD 3.3Å; H71-P138 WeakPolarHBondContact O-CD 3.47Å; H71-F140 AromaticContact CD2-CD1 3.48Å; H71-F140 VanDerWaalsContact CD2-CD1 3.48Å; H71-F140 WeakPolarHBondContact CD2-CD1 3.5Å; H71-F140 AromaticContact CE1-CD1 3.3Å; H71-F140 WeakPolarHBondContact CE1-CD1 3.2Å; H71-F140 AromaticContact CE1-CE1 3.2Å; H71-F140 WeakPolarHBondContact CE1-CE1 3.02Å; H71-F140 AromaticContact CE1-CZ 3.91Å; H71-F140 AromaticContact CG-CD1 3.96Å; H71-F140 AromaticContact ND1-CD1 3.87Å; H71-F140 AromaticContact ND1-CE1 3.68Å; H71-F140 AromaticContact NE2-CD1 3.02Å; H71-F140 WeakPolarHBondContact NE2-CD1 3.43Å; H71-F140 AromaticContact NE2-CE1 3.5Å; H71-F140 WeakPolarHBondContact NE2-CE1 3.3Å; H71-F140 AromaticContact NE2-CG 3.48Å; H71-F140 WeakPolarHBondContact NE2-CG 3.38Å; H71-H142 AromaticContact CE1-NE2 3.68Å; H71-H142 AromaticContact NE2-CD2 3.87Å; H71-H142 AromaticContact NE2-CE1 3.91Å; H71-H142 AromaticContact NE2-NE2 3.04Å; H71-H142 PolarHBondContact NE2-NE2 3.13Å; H71-L164 VanDerWaalsContact CE1-CD1 3.41Å; H71-L164 WeakPolarHBondContact CE1-CD1 3.47Å
72	Y	93.1	Very high	93.6	Very high	25 Å²	25	32.4 Å²	32.4	10%	0.098	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	125	166.1	178.1	-84.8	0	0	0	108.1	F48 Y49 L74 E135 F137 L179	F48-Y72 WeakPolarHBondContact CA-O 3.46Å; Y49-Y72 AromaticContact CD1-CD1 3.41Å; Y49-Y72 HydrophobicContact CD1-CD1 3.41Å; Y49-Y72 VanDerWaalsContact CD1-CD1 3.41Å; Y49-Y72 HydrophobicContact CD1-CE1 4.26Å; Y49-Y72 AromaticContact CD1-CG 3.72Å; Y49-Y72 HydrophobicContact CD1-CG 3.72Å; Y49-Y72 AromaticContact CE1-CD1 2.98Å; Y49-Y72 HydrophobicContact CE1-CD1 2.98Å; Y49-Y72 AromaticContact CE1-CD2 3.81Å; Y49-Y72 HydrophobicContact CE1-CD2 3.81Å; Y49-Y72 AromaticContact CE1-CE1 3.65Å; Y49-Y72 HydrophobicContact CE1-CE1 3.65Å; Y49-Y72 HydrophobicContact CE1-CE2 4.4Å; Y49-Y72 AromaticContact CE1-CG 3.04Å; Y49-Y72 HydrophobicContact CE1-CG 3.04Å; Y49-Y72 HydrophobicContact CE2-CG 4.29Å; Y49-Y72 AromaticContact CZ-CD1 3.82Å; Y49-Y72 AromaticContact CZ-CD2 3.8Å; Y49-Y72 AromaticContact CZ-CG 3.34Å; Y49-Y72 PolarHBondContact N-O 3.36Å; Y49-Y72 PolarHBondContact O-N 3.16Å; Y49-Y72 WeakPolarHBondContact OH-CD2 3.38Å; Y72-L74 HydrophobicContact CD1-CB 4.41Å; Y72-L74 HydrophobicContact CE1-CB 3.73Å; Y72-L74 HydrophobicContact CE1-CD2 4.43Å; Y72-E135 WeakPolarHBondContact OH-CG 3.3Å; Y72-E135 PolarHBondContact OH-OE2 2.81Å; Y72-F137 HydrophobicContact CD2-CB 4.23Å; Y72-L179 HydrophobicContact CD1-CD2 4.41Å; Y72-L179 HydrophobicContact CE1-CD2 4.2Å
73	L	94.8	Very high	93.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	132.3	-178.2	-59.6	95	0	0	0	108.7	V46 L47 F48 H71 W75 P103 L105 M120 Y136 P138	V46-L73 HydrophobicContact CG1-CB 4.27Å; V46-L73 HydrophobicContact CG1-CD2 4.08Å; L47-L73 WeakPolarHBondContact O-CA 3.44Å; F48-L73 HydrophobicContact CD2-CD2 4.42Å; F48-L73 HydrophobicContact CD2-CG 4.2Å; H71-L73 HydrophobicContact CB-CD1 3.75Å; L73-W75 HydrophobicContact CB-CE3 4.19Å; L73-W75 HydrophobicContact CB-CZ3 3.94Å; L73-P103 HydrophobicContact CD2-CG 3.43Å; L73-P103 VanDerWaalsContact CD2-CG 3.43Å; L73-L105 HydrophobicContact CD2-CD1 3.72Å; L73-M120 HydrophobicContact CD1-CE 4.16Å; L73-M120 HydrophobicContact CD1-SD 4.01Å; L73-M120 HydrophobicContact CD2-CE 3.85Å; L73-Y136 HydrophobicContact CD1-CD1 4.12Å; L73-Y136 PolarHBondContact N-O 3.43Å; L73-Y136 PolarHBondContact O-N 3.1Å; L73-P138 VanDerWaalsContact CD1-CD 3.47Å; L73-P138 HydrophobicContact CD1-CG 3.73Å
74	L	96.8	Very high	94	Very high	19 Å²	19	29.7 Å²	29.7	10%	0.099	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	120.6	178.9	166.8	65.3	0	0	0	108.8	L47 Y72 R133 V134 E135	L47-L74 HydrophobicContact CB-CB 4.16Å; L47-L74 HydrophobicContact CD1-CD2 3.98Å; L47-L74 HydrophobicContact CD1-CG 4.39Å; L47-L74 PolarHBondContact N-O 2.98Å; L47-L74 PolarHBondContact O-N 2.89Å; Y72-L74 HydrophobicContact CD1-CB 4.41Å; Y72-L74 HydrophobicContact CE1-CB 3.73Å; Y72-L74 HydrophobicContact CE1-CD2 4.43Å; L74-R133 HydrophobicContact CD1-CG 3.46Å; L74-R133 VanDerWaalsContact CD1-CG 3.46Å; L74-R133 VanDerWaalsContact CD1-NE 3.31Å; L74-V134 WeakPolarHBondContact CA-O 3.49Å; L74-V134 WeakPolarHBondContact CD1-O 3.36Å; L74-E135 HydrophobicContact CD1-CG 3.84Å
75	W	97.1	Very high	94.1	Very high	8 Å²	8	33.3 Å²	33.3	3%	0.03	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	175.4	175.9	71.7	98.9	0	0	0	110.7	V44 V46 L73 I100 W101 K102 V134 Y136	V44-W75 HydrophobicContact CG1-CB 4.39Å; V46-W75 HydrophobicContact CG2-CB 4.14Å; L73-W75 HydrophobicContact CB-CE3 4.19Å; L73-W75 HydrophobicContact CB-CZ3 3.94Å; W75-I100 HydrophobicContact CZ2-CD1 4.33Å; W75-W101 HydrophobicContact CG-CZ3 4.47Å; W75-W101 WeakPolarHBondContact CZ2-O 3.36Å; W75-W101 AromaticContact NE1-CE3 3.85Å; W75-K102 HydrophobicContact CH2-CB 4.21Å; W75-K102 HydrophobicContact CZ2-CB 4.35Å; W75-V134 HydrophobicContact CD2-CB 4.01Å; W75-V134 HydrophobicContact CD2-CG1 4.41Å; W75-V134 HydrophobicContact CE3-CB 4.39Å; W75-V134 HydrophobicContact CH2-CB 4.13Å; W75-V134 HydrophobicContact CH2-CG1 3.45Å; W75-V134 VanDerWaalsContact CH2-CG1 3.45Å; W75-V134 HydrophobicContact CZ2-CB 3.71Å; W75-V134 HydrophobicContact CZ2-CG1 3.3Å; W75-V134 HydrophobicContact CZ2-CG2 4.3Å; W75-V134 HydrophobicContact CZ3-CB 4.45Å; W75-V134 HydrophobicContact CZ3-CG1 4.07Å; W75-V134 PolarHBondContact N-O 2.9Å; W75-V134 VanDerWaalsContact N-O 3.16Å; W75-V134 PolarHBondContact O-N 3.03Å; W75-Y136 HydrophobicContact CH2-CG 4.41Å
76	H	97	Very high	94	Very high	97 Å²	97	38.1 Å²	38.1	45%	0.449	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.3	174.2	-172.2	79.8	0	0	0	109.8	D78 T131	H76-D78 IonicContact CD2-OD1 3.85Å; H76-D78 PolarHBondContact CD2-OD1 2.75Å; H76-D78 IonicContact NE2-OD1 3.31Å; H76-T131 PolarHBondContact CE1-O 2.66Å
77	D	96.5	Very high	94	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.196	C	C	.	.			trans	-114.6	112.3	174.5	-175.7	-38.3	0	0	0	110.1	P36 Y79 L80 G132 V134	P36-D77 HydrophobicContact CB-CB 3.76Å; P36-D77 WeakPolarHBondContact CB-OD1 3.29Å; P36-D77 VanDerWaalsContact CB-OD2 3.29Å; P36-D77 WeakPolarHBondContact CB-OD2 3.25Å; P36-D77 HydrophobicContact CG-CB 4.23Å; D77-Y79 PolarHBondContact O-N 2.84Å; D77-Y79 VanDerWaalsContact O-N 3.08Å; D77-Y79 WeakPolarHBondContact OD1-CA 3.43Å; D77-Y79 WeakPolarHBondContact OD1-CB 3.39Å; D77-Y79 PolarHBondContact OD1-N 3.07Å; D77-L80 HydrophobicContact CB-CB 4.02Å; D77-L80 HydrophobicContact CB-CD1 3.92Å; D77-L80 HydrophobicContact CB-CG 4.02Å; D77-L80 VanDerWaalsContact CG-CG 3.41Å; D77-L80 PolarHBondContact O-N 3.34Å; D77-L80 PolarHBondContact OD1-N 3.15Å; D77-L80 VanDerWaalsContact OD2-CD1 3.24Å; D77-L80 WeakPolarHBondContact OD2-CD1 3.39Å; D77-L80 WeakPolarHBondContact OD2-CG 3.34Å; D77-G132 PolarHBondContact N-O 3.46Å; D77-V134 HydrophobicContact CB-CG2 3.98Å
78	D	94.8	Very high	93.9	Very high	37 Å²	37	43 Å²	43	20%	0.198	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-13.7	-176.4	-78	-15	0	0	0	114.3	P36 V37 K38 H76 Y81	P36-D78 WeakPolarHBondContact O-CB 3.38Å; P36-D78 PolarHBondContact O-N 3.12Å; P36-D78 VanDerWaalsContact O-N 3.17Å; V37-D78 WeakPolarHBondContact CA-OD2 3.18Å; K38-D78 HydrophobicContact CD-CB 4.19Å; K38-D78 HydrophobicContact CG-CB 3.99Å; K38-D78 PolarHBondContact N-OD2 2.76Å; K38-D78 PolarHBondContact NZ-O 3.47Å; H76-D78 IonicContact CD2-OD1 3.85Å; H76-D78 PolarHBondContact CD2-OD1 2.75Å; H76-D78 IonicContact NE2-OD1 3.31Å; D78-Y81 VanDerWaalsContact O-CD1 3.25Å; D78-Y81 WeakPolarHBondContact O-CD1 3.47Å; D78-Y81 WeakPolarHBondContact O-CE1 3.49Å
79	Y	93.9	Very high	94	Very high	77 Å²	77	42.8 Å²	42.8	30%	0.302	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-21	-176.7	-56.5	-80	0	0	0	112.6	P36 V37 D77 Y81	P36-Y79 HydrophobicContact CB-CD2 4.29Å; V37-Y79 PolarHBondContact O-OH 3.42Å; D77-Y79 PolarHBondContact O-N 2.84Å; D77-Y79 VanDerWaalsContact O-N 3.08Å; D77-Y79 WeakPolarHBondContact OD1-CA 3.43Å; D77-Y79 WeakPolarHBondContact OD1-CB 3.39Å; D77-Y79 PolarHBondContact OD1-N 3.07Å; Y79-Y81 PolarHBondContact O-N 2.87Å
80	L	94	Very high	94.1	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-93.5	49.9	-177.5	-63.4	-179.8	0	0	0	113.5	I26 D77 I100 V128 G132 V134	I26-L80 HydrophobicContact CB-CD2 3.96Å; I26-L80 HydrophobicContact CD1-CD2 4.13Å; I26-L80 HydrophobicContact CG1-CD2 4.14Å; D77-L80 HydrophobicContact CB-CB 4.02Å; D77-L80 HydrophobicContact CB-CD1 3.92Å; D77-L80 HydrophobicContact CB-CG 4.02Å; D77-L80 VanDerWaalsContact CG-CG 3.41Å; D77-L80 PolarHBondContact O-N 3.34Å; D77-L80 PolarHBondContact OD1-N 3.15Å; D77-L80 VanDerWaalsContact OD2-CD1 3.24Å; D77-L80 WeakPolarHBondContact OD2-CD1 3.39Å; D77-L80 WeakPolarHBondContact OD2-CG 3.34Å; L80-I100 HydrophobicContact CD1-CB 4.03Å; L80-I100 HydrophobicContact CD1-CD1 4.46Å; L80-I100 HydrophobicContact CD1-CG2 3.67Å; L80-I100 HydrophobicContact CD2-CG2 4.29Å; L80-V128 HydrophobicContact CB-CG1 3.85Å; L80-V128 HydrophobicContact CD1-CG1 4.22Å; L80-V128 HydrophobicContact CD1-CG2 4.29Å; L80-G132 WeakPolarHBondContact O-CA 3.32Å; L80-V134 HydrophobicContact CD1-CG2 4.07Å
81	Y	93.8	Very high	94.3	Very high	115 Å²	115	44.1 Å²	44.1	45%	0.451	25%	0.25	S	S	.	.			trans	-116.7	151.4	176.7	72	-85.1	0	0	0	111.9	R29 D78 Y79 S130	R29-Y81 PolarHBondContact NH1-O 2.88Å; R29-Y81 PolarHBondContact NH2-O 2.87Å; D78-Y81 VanDerWaalsContact O-CD1 3.25Å; D78-Y81 WeakPolarHBondContact O-CD1 3.47Å; D78-Y81 WeakPolarHBondContact O-CE1 3.49Å; Y79-Y81 PolarHBondContact O-N 2.87Å; Y81-S130 WeakPolarHBondContact CA-O 3.46Å
82	W	95.4	Very high	94.4	Very high	15 Å²	15	49 Å²	49	6%	0.057	27%	0.269	C	S	.	.			trans	-154.3	163.1	173.1	66	98	0	0	0	110.4	L22 I26 P84 Y87 V90 M93 V128 S130	L22-W82 HydrophobicContact CD1-CB 3.88Å; L22-W82 HydrophobicContact CD1-CD2 3.64Å; L22-W82 HydrophobicContact CD1-CE3 4.23Å; L22-W82 HydrophobicContact CD1-CG 3.45Å; L22-W82 VanDerWaalsContact CD1-CG 3.45Å; L22-W82 HydrophobicContact CD2-CD2 4.24Å; L22-W82 HydrophobicContact CD2-CZ2 3.98Å; L22-W82 HydrophobicContact CG-CD2 4.48Å; I26-W82 HydrophobicContact CG2-CE3 4Å; W82-P84 WeakPolarHBondContact O-CD 3.17Å; W82-Y87 HydrophobicContact CB-CD2 4.45Å; W82-Y87 HydrophobicContact CB-CE2 4.07Å; W82-Y87 AromaticContact CD1-CD2 3.81Å; W82-Y87 HydrophobicContact CG-CD2 4.41Å; W82-Y87 HydrophobicContact CG-CE2 4.47Å; W82-V90 PolarHBondContact NE1-O 3.06Å; W82-M93 HydrophobicContact CH2-CE 4.37Å; W82-M93 HydrophobicContact CH2-CG 3.51Å; W82-M93 HydrophobicContact CH2-SD 4.18Å; W82-M93 HydrophobicContact CZ2-CG 3.69Å; W82-M93 HydrophobicContact CZ2-SD 4.48Å; W82-M93 HydrophobicContact CZ3-CE 4.49Å; W82-M93 HydrophobicContact CZ3-CG 4.38Å; W82-V128 HydrophobicContact CH2-CB 4.39Å; W82-V128 HydrophobicContact CH2-CG1 4.05Å; W82-V128 WeakPolarHBondContact CH2-O 3.39Å; W82-V128 HydrophobicContact CZ3-CB 4.47Å; W82-V128 HydrophobicContact CZ3-CG1 3.71Å; W82-S130 VanDerWaalsContact CE2-CB 3.49Å; W82-S130 VanDerWaalsContact CH2-N 3.3Å; W82-S130 VanDerWaalsContact CZ2-CA 3.5Å; W82-S130 PolarHBondContact N-O 3.3Å; W82-S130 VanDerWaalsContact N-O 3.15Å
83	N	95.9	Very high	94.4	Very high	85 Å²	85	48.5 Å²	48.5	46%	0.455	27%	0.267	S	S	.	.			trans	-87.9	118.8	171	179.5	8.5	0	0	0	109.2	A85 D86	N83-A85 PolarHBondContact O-N 3.09Å; N83-A85 VanDerWaalsContact O-N 3.11Å; N83-A85 PolarHBondContact OD1-N 2.82Å; N83-D86 PolarHBondContact O-N 2.9Å
84	P	95.4	Very high	94.3	Very high	37 Å²	37	50.9 Å²	50.9	24%	0.24	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-54.9	-30.6	178.9	-27.9	36.2	0	0	0	113.8	W82 D86 Y87 G89	W82-P84 WeakPolarHBondContact O-CD 3.17Å; P84-D86 PolarHBondContact O-N 2.91Å; P84-Y87 CarbonylContact O-C 3.56Å; P84-Y87 PolarHBondContact O-N 3.43Å; P84-G89 VanDerWaalsContact O-CA 3.23Å; P84-G89 WeakPolarHBondContact O-CA 3.23Å; P84-G89 PolarHBondContact O-N 3.08Å
85	A	94.6	Very high	94.1	Very high	78 Å²	78	50 Å²	50	65%	0.645	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-61.7	-27.1	179.2	0	0	0	0	0	113.3	N83 Y87	N83-A85 PolarHBondContact O-N 3.09Å; N83-A85 VanDerWaalsContact O-N 3.11Å; N83-A85 PolarHBondContact OD1-N 2.82Å; A85-Y87 VanDerWaalsContact C-N 3.28Å; A85-Y87 PolarHBondContact O-N 2.85Å
86	D	93.5	Very high	93.8	Very high	100 Å²	100	52.2 Å²	52.2	54%	0.535	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-79.9	-11.4	-178.2	-59.8	-17.8	0	0	0	112.8	N83 P84	N83-D86 PolarHBondContact O-N 2.9Å; P84-D86 PolarHBondContact O-N 2.91Å
87	Y	92.7	Very high	93.4	Very high	26 Å²	26	47.7 Å²	47.7	10%	0.102	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-135.7	49	-173.3	-57.7	-90	0	0	0	111.5	R21 L22 S25 W82 P84 A85 G89 V90	R21-Y87 HydrophobicContact CG-CE1 4.2Å; L22-Y87 VanDerWaalsContact CA-CE1 3.47Å; L22-Y87 HydrophobicContact CB-CD1 3.57Å; L22-Y87 HydrophobicContact CB-CE1 3.79Å; L22-Y87 HydrophobicContact CB-CG 4.09Å; L22-Y87 HydrophobicContact CD1-CD1 4.08Å; L22-Y87 HydrophobicContact CD1-CD2 3.86Å; L22-Y87 HydrophobicContact CD1-CE1 3.96Å; L22-Y87 HydrophobicContact CD1-CE2 3.79Å; L22-Y87 HydrophobicContact CD1-CG 4Å; L22-Y87 HydrophobicContact CG-CD1 4.32Å; L22-Y87 HydrophobicContact CG-CE1 4.48Å; L22-Y87 HydrophobicContact CG-CG 4.42Å; S25-Y87 WeakPolarHBondContact CB-OH 3.38Å; S25-Y87 PolarHBondContact OG-OH 3.16Å; W82-Y87 HydrophobicContact CB-CD2 4.45Å; W82-Y87 HydrophobicContact CB-CE2 4.07Å; W82-Y87 AromaticContact CD1-CD2 3.81Å; W82-Y87 HydrophobicContact CG-CD2 4.41Å; W82-Y87 HydrophobicContact CG-CE2 4.47Å; P84-Y87 CarbonylContact O-C 3.56Å; P84-Y87 PolarHBondContact O-N 3.43Å; A85-Y87 VanDerWaalsContact C-N 3.28Å; A85-Y87 PolarHBondContact O-N 2.85Å; Y87-G89 PolarHBondContact O-N 2.83Å; Y87-G89 VanDerWaalsContact O-N 3.14Å; Y87-V90 WeakPolarHBondContact O-CB 3.46Å; Y87-V90 WeakPolarHBondContact O-CG2 3.48Å; Y87-V90 PolarHBondContact O-N 2.98Å; Y87-V90 VanDerWaalsContact O-N 3.11Å
88	S	89.3	Confident	93	Very high	83 Å²	83	52.7 Å²	52.7	58%	0.58	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	56	32.2	175.8	-56.5	0	0	0	0	114.9	V90	S88-V90 VanDerWaalsContact C-N 3.34Å
89	G	91.5	Very high	92.8	Very high	49 Å²	49	55.9 Å²	55.9	51%	0.505	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.3	10.8	178.3	0	0	0	0	0	114.9	P84 Y87 S91	P84-G89 VanDerWaalsContact O-CA 3.23Å; P84-G89 WeakPolarHBondContact O-CA 3.23Å; P84-G89 PolarHBondContact O-N 3.08Å; Y87-G89 PolarHBondContact O-N 2.83Å; Y87-G89 VanDerWaalsContact O-N 3.14Å; G89-S91 PolarHBondContact O-N 2.77Å
90	V	92.9	Very high	92.8	Very high	6 Å²	6	52.2 Å²	52.2	4%	0.036	28%	0.283	C	S	.	.			trans	-63.9	107.4	176.2	175.7	0	0	0	0	109.5	Y15 L19 L22 W82 Y87 S88 R92	Y15-V90 HydrophobicContact CE2-CG2 3.66Å; L19-V90 HydrophobicContact CD2-CB 4.5Å; L19-V90 HydrophobicContact CD2-CG1 3.83Å; L19-V90 HydrophobicContact CD2-CG2 3.87Å; L22-V90 HydrophobicContact CD2-CB 4.3Å; L22-V90 HydrophobicContact CD2-CG1 3.75Å; W82-V90 PolarHBondContact NE1-O 3.06Å; Y87-V90 WeakPolarHBondContact O-CB 3.46Å; Y87-V90 WeakPolarHBondContact O-CG2 3.48Å; Y87-V90 PolarHBondContact O-N 2.98Å; Y87-V90 VanDerWaalsContact O-N 3.11Å; S88-V90 VanDerWaalsContact C-N 3.34Å; V90-R92 WeakPolarHBondContact CG1-O 3.46Å
91	S	94.6	Very high	92.7	Very high	67 Å²	67	52.5 Å²	52.5	47%	0.469	28%	0.284	S	S	.	.			trans	-94.7	-18.1	-179.7	60.6	0	0	0	0	113.7	G89 S130	G89-S91 PolarHBondContact O-N 2.77Å; S91-S130 WeakPolarHBondContact O-CB 3.35Å; S91-S130 PolarHBondContact O-N 2.92Å; S91-S130 PolarHBondContact O-OG 3.14Å
92	R	95.2	Very high	92.6	Very high	106 Å²	106	49 Å²	49	40%	0.4	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	145.4	-178.2	-172.2	-175.3	-65.7	-167.6	-4.2	110.1	V90 W127 V128 E129	V90-R92 WeakPolarHBondContact CG1-O 3.46Å; R92-W127 HydrophobicContact CG-CE3 3.74Å; R92-W127 HydrophobicContact CG-CZ3 4.34Å; R92-V128 CarbonylContact C-O 3.58Å; R92-V128 VanDerWaalsContact CA-O 3.32Å; R92-V128 WeakPolarHBondContact CA-O 3.3Å; R92-V128 WeakPolarHBondContact CG-O 3.27Å; R92-E129 IonicContact CZ-OE1 3.3Å; R92-E129 IonicContact NE-OE1 3.09Å; R92-E129 IonicContact NH2-OE1 2.98Å; R92-E129 PolarHBondContact NH2-OE1 3.31Å
93	M	93.7	Very high	92.5	Very high	13 Å²	13	48.3 Å²	48.3	6%	0.064	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	154.5	177.9	36	150.1	-103.4	0	0	111.9	L22 I26 W82 V95 V128	L22-M93 HydrophobicContact CD2-CG 3.85Å; L22-M93 HydrophobicContact CD2-SD 3.51Å; L22-M93 VanDerWaalsContact CD2-SD 3.51Å; L22-M93 HydrophobicContact CG-SD 3.61Å; I26-M93 HydrophobicContact CD1-CE 2.97Å; I26-M93 HydrophobicContact CD1-SD 3.73Å; I26-M93 HydrophobicContact CG1-CE 4.4Å; W82-M93 HydrophobicContact CH2-CE 4.37Å; W82-M93 HydrophobicContact CH2-CG 3.51Å; W82-M93 HydrophobicContact CH2-SD 4.18Å; W82-M93 HydrophobicContact CZ2-CG 3.69Å; W82-M93 HydrophobicContact CZ2-SD 4.48Å; W82-M93 HydrophobicContact CZ3-CE 4.49Å; W82-M93 HydrophobicContact CZ3-CG 4.38Å; M93-V95 HydrophobicContact CE-CG2 3.02Å; M93-V95 HydrophobicContact SD-CG2 4.44Å; M93-V128 HydrophobicContact CE-CB 3.9Å; M93-V128 HydrophobicContact CE-CG1 4.42Å; M93-V128 HydrophobicContact CE-CG2 4.21Å; M93-V128 PolarHBondContact N-O 3.45Å; M93-V128 PolarHBondContact O-N 3.38Å
94	S	92.7	Very high	92.2	Very high	50 Å²	50	46.2 Å²	46.2	35%	0.35	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	128.9	178.6	172.8	0	0	0	0	109.7	H125 A126	S94-H125 WeakPolarHBondContact OG-CB 2.92Å; S94-H125 PolarHBondContact OG-ND1 3Å; S94-A126 WeakPolarHBondContact CA-O 3.48Å
95	V	91.8	Very high	92	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	143	179.6	-170.5	0	0	0	0	109.1	I26 L27 M93 S97 R99 I100 H125 A126 V128	I26-V95 HydrophobicContact CD1-CG2 4.48Å; L27-V95 HydrophobicContact CD2-CG1 4.4Å; M93-V95 HydrophobicContact CE-CG2 3.02Å; M93-V95 HydrophobicContact SD-CG2 4.44Å; V95-S97 PolarHBondContact O-N 3.3Å; V95-R99 HydrophobicContact CG1-CB 3.99Å; V95-I100 HydrophobicContact CG1-CG2 4.2Å; V95-H125 CarbonylContact O-C 3.54Å; V95-H125 VanDerWaalsContact O-CA 3.23Å; V95-H125 WeakPolarHBondContact O-CA 3.43Å; V95-A126 PolarHBondContact N-O 3.26Å; V95-A126 PolarHBondContact O-N 2.93Å; V95-V128 HydrophobicContact CG2-CG2 4.04Å
96	H	90.1	Very high	91.8	Very high	55 Å²	55	43.6 Å²	43.6	26%	0.255	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	128.7	170	-65.7	102.3	0	0	0	111.4	W98 R99 H125	H96-W98 HydrophobicContact CB-CD2 3.68Å; H96-W98 VanDerWaalsContact CB-CE2 3.48Å; H96-W98 HydrophobicContact CB-CE3 3.78Å; H96-W98 HydrophobicContact CB-CG 4.46Å; H96-W98 HydrophobicContact CB-CH2 3.62Å; H96-W98 HydrophobicContact CB-CZ2 3.48Å; H96-W98 VanDerWaalsContact CB-CZ2 3.48Å; H96-W98 HydrophobicContact CB-CZ3 3.72Å; H96-W98 AromaticContact CD2-CH2 2.92Å; H96-W98 WeakPolarHBondContact CD2-CH2 3.46Å; H96-W98 AromaticContact CD2-CZ2 3.43Å; H96-W98 VanDerWaalsContact CD2-CZ2 3.43Å; H96-W98 WeakPolarHBondContact CD2-CZ2 3.36Å; H96-W98 AromaticContact CD2-CZ3 3.47Å; H96-W98 VanDerWaalsContact CD2-CZ3 3.47Å; H96-W98 WeakPolarHBondContact CD2-CZ3 3.33Å; H96-W98 AromaticContact CG-CE2 3.92Å; H96-W98 AromaticContact CG-CH2 3.36Å; H96-W98 AromaticContact CG-CZ2 3.36Å; H96-W98 AromaticContact CG-CZ3 3.88Å; H96-W98 AromaticContact ND1-CZ2 3.96Å; H96-W98 AromaticContact NE2-CH2 3.61Å; H96-W98 AromaticContact NE2-CZ2 3.98Å; H96-W98 PolarHBondContact O-N 3.11Å; H96-R99 HydrophobicContact CB-CG 4.37Å; H96-R99 WeakPolarHBondContact O-CB 3.42Å; H96-R99 PolarHBondContact O-N 3.02Å; H96-H125 AromaticContact CD2-CD2 3.98Å; H96-H125 AromaticContact CD2-CE1 3.45Å; H96-H125 PolarHBondContact CD2-CE1 3.11Å; H96-H125 VanDerWaalsContact CD2-CE1 3.45Å; H96-H125 AromaticContact CD2-NE2 3.38Å; H96-H125 PolarHBondContact CD2-NE2 3.24Å; H96-H125 AromaticContact CE1-CE1 3.51Å; H96-H125 AromaticContact CE1-NE2 3.93Å; H96-H125 AromaticContact CG-CE1 3.84Å; H96-H125 AromaticContact ND1-CE1 3.84Å; H96-H125 AromaticContact NE2-CE1 3.3Å; H96-H125 PolarHBondContact NE2-CE1 3.14Å; H96-H125 VanDerWaalsContact NE2-CE1 3.3Å; H96-H125 AromaticContact NE2-NE2 3.26Å; H96-H125 PolarHBondContact NE2-NE2 2.95Å
97	S	89.5	Confident	91.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.007	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-60.2	-21.9	-173.7	62.2	0	0	0	0	114.6	V95 R99 I100 F122 Q124	V95-S97 PolarHBondContact O-N 3.3Å; S97-R99 VanDerWaalsContact C-N 3.28Å; S97-R99 PolarHBondContact O-N 3.37Å; S97-I100 VanDerWaalsContact O-O 3.12Å; S97-F122 PolarHBondContact OG-O 2.91Å; S97-F122 VanDerWaalsContact OG-O 3.04Å; S97-Q124 WeakPolarHBondContact CB-O 3.44Å; S97-Q124 PolarHBondContact N-O 3.44Å; S97-Q124 VanDerWaalsContact N-O 3.14Å; S97-Q124 PolarHBondContact OG-O 3.27Å
98	W	88.2	Confident	91.6	Very high	106 Å²	106	42.7 Å²	42.7	40%	0.402	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-74.7	-13.3	175.8	64.4	83	0	0	0	114.6	H96 F122	H96-W98 HydrophobicContact CB-CD2 3.68Å; H96-W98 VanDerWaalsContact CB-CE2 3.48Å; H96-W98 HydrophobicContact CB-CE3 3.78Å; H96-W98 HydrophobicContact CB-CG 4.46Å; H96-W98 HydrophobicContact CB-CH2 3.62Å; H96-W98 HydrophobicContact CB-CZ2 3.48Å; H96-W98 VanDerWaalsContact CB-CZ2 3.48Å; H96-W98 HydrophobicContact CB-CZ3 3.72Å; H96-W98 AromaticContact CD2-CH2 2.92Å; H96-W98 WeakPolarHBondContact CD2-CH2 3.46Å; H96-W98 AromaticContact CD2-CZ2 3.43Å; H96-W98 VanDerWaalsContact CD2-CZ2 3.43Å; H96-W98 WeakPolarHBondContact CD2-CZ2 3.36Å; H96-W98 AromaticContact CD2-CZ3 3.47Å; H96-W98 VanDerWaalsContact CD2-CZ3 3.47Å; H96-W98 WeakPolarHBondContact CD2-CZ3 3.33Å; H96-W98 AromaticContact CG-CE2 3.92Å; H96-W98 AromaticContact CG-CH2 3.36Å; H96-W98 AromaticContact CG-CZ2 3.36Å; H96-W98 AromaticContact CG-CZ3 3.88Å; H96-W98 AromaticContact ND1-CZ2 3.96Å; H96-W98 AromaticContact NE2-CH2 3.61Å; H96-W98 AromaticContact NE2-CZ2 3.98Å; H96-W98 PolarHBondContact O-N 3.11Å; W98-F122 HydrophobicContact CB-CD1 4.02Å; W98-F122 HydrophobicContact CE3-CB 4.17Å; W98-F122 WeakPolarHBondContact CZ3-O 3.47Å
99	R	90.4	Very high	91.8	Very high	103 Å²	103	39.7 Å²	39.7	39%	0.389	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-88.1	-14.2	179.8	-64.4	-173.8	165.2	-168.1	-5.1	112.8	E23 L27 V95 H96 S97	E23-R99 VanDerWaalsContact CD-NH1 3.28Å; E23-R99 IonicContact OE1-CZ 3.27Å; E23-R99 IonicContact OE1-NH1 3.1Å; E23-R99 PolarHBondContact OE1-NH1 3.02Å; E23-R99 IonicContact OE2-NH1 3.78Å; L27-R99 HydrophobicContact CD1-CB 4.14Å; L27-R99 HydrophobicContact CD1-CG 4.43Å; L27-R99 HydrophobicContact CD2-CB 3.79Å; L27-R99 WeakPolarHBondContact CD2-O 3.41Å; V95-R99 HydrophobicContact CG1-CB 3.99Å; H96-R99 HydrophobicContact CB-CG 4.37Å; H96-R99 WeakPolarHBondContact O-CB 3.42Å; H96-R99 PolarHBondContact O-N 3.02Å; S97-R99 VanDerWaalsContact C-N 3.28Å; S97-R99 PolarHBondContact O-N 3.37Å
100	I	92.8	Very high	91.9	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.186	C	C	.	.	S	Bend	trans	-120.7	161.6	-178.9	63.8	172.2	0	0	0	110.3	L27 W75 L80 V95 S97 A126 V128 V134	L27-I100 HydrophobicContact CD2-CG2 4.08Å; W75-I100 HydrophobicContact CZ2-CD1 4.33Å; L80-I100 HydrophobicContact CD1-CB 4.03Å; L80-I100 HydrophobicContact CD1-CD1 4.46Å; L80-I100 HydrophobicContact CD1-CG2 3.67Å; L80-I100 HydrophobicContact CD2-CG2 4.29Å; V95-I100 HydrophobicContact CG1-CG2 4.2Å; S97-I100 VanDerWaalsContact O-O 3.12Å; I100-A126 HydrophobicContact CD1-CB 3.66Å; I100-V128 HydrophobicContact CD1-CG2 4.32Å; I100-V134 HydrophobicContact CD1-CG1 3.78Å
101	W	93.3	Very high	91.8	Very high	6 Å²	6	39.9 Å²	39.9	2%	0.023	20%	0.198	C	C	.	.			trans	-69.5	144.6	172.5	-179.2	94.1	0	0	0	109.7	N34 R35 P36 V44 W75 P103 L174	N34-W101 VanDerWaalsContact C-CD1 3.43Å; R35-W101 HydrophobicContact CG-CZ2 4.21Å; P36-W101 HydrophobicContact CG-CD2 4.1Å; P36-W101 HydrophobicContact CG-CE3 3.64Å; P36-W101 HydrophobicContact CG-CZ3 4.12Å; V44-W101 HydrophobicContact CB-CH2 4.13Å; V44-W101 HydrophobicContact CG1-CH2 3.8Å; V44-W101 HydrophobicContact CG1-CZ3 3.8Å; V44-W101 HydrophobicContact CG2-CH2 4.18Å; W75-W101 HydrophobicContact CG-CZ3 4.47Å; W75-W101 WeakPolarHBondContact CZ2-O 3.36Å; W75-W101 AromaticContact NE1-CE3 3.85Å; W101-P103 HydrophobicContact CH2-CB 4.14Å; W101-L174 HydrophobicContact CH2-CD1 3.84Å; W101-L174 HydrophobicContact CZ2-CD1 4.45Å
102	K	91.9	Very high	91.2	Very high	40 Å²	40	40.5 Å²	40.5	17%	0.174	20%	0.196	C	C	.	.			trans	-147.2	152.4	173.2	68.5	-165.7	-175.3	-45.8	0	108.2	W75 Y136	W75-K102 HydrophobicContact CH2-CB 4.21Å; W75-K102 HydrophobicContact CZ2-CB 4.35Å; K102-Y136 HydrophobicContact CD-CE1 4.2Å
103	P	92.6	Very high	90	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.013	21%	0.213	C	C	.	.			trans	-61.5	140.9	177.8	27.2	-35.8	0	0	0	111.1	V46 L73 W101 L105 L174	V46-P103 HydrophobicContact CG1-CG 4.28Å; V46-P103 HydrophobicContact CG2-CB 4.32Å; V46-P103 HydrophobicContact CG2-CG 4.2Å; L73-P103 HydrophobicContact CD2-CG 3.43Å; L73-P103 VanDerWaalsContact CD2-CG 3.43Å; W101-P103 HydrophobicContact CH2-CB 4.14Å; P103-L105 HydrophobicContact CB-CD2 4.22Å; P103-L105 HydrophobicContact CB-CG 4.17Å; P103-L105 HydrophobicContact CG-CG 4.36Å; P103-L105 PolarHBondContact O-N 2.7Å; P103-L105 VanDerWaalsContact O-N 3.09Å; P103-L174 HydrophobicContact CB-CD1 4.25Å; P103-L174 HydrophobicContact CB-CD2 4.18Å
104	D	89	Confident	88.5	Confident	41 Å²	41	49.8 Å²	49.8	22%	0.219	25%	0.247	C	C	.	.			trans	-86	55.7	-178.6	62.4	-36.3	0	0	0	111.5	V106 S166 W167 S168 H169	D104-V106 PolarHBondContact O-N 3.08Å; D104-S166 WeakPolarHBondContact O-CA 3.37Å; D104-S166 WeakPolarHBondContact OD1-CB 3.25Å; D104-S166 PolarHBondContact OD1-OG 2.8Å; D104-S166 PolarHBondContact OD2-OG 2.91Å; D104-W167 PolarHBondContact O-N 2.89Å; D104-W167 PolarHBondContact OD2-N 3.43Å; D104-S168 WeakPolarHBondContact OD2-CB 3.44Å; D104-S168 PolarHBondContact OD2-N 2.89Å; D104-S168 PolarHBondContact OD2-OG 2.86Å; D104-H169 IonicContact OD1-CE1 3.52Å; D104-H169 IonicContact OD1-CG 3.71Å; D104-H169 IonicContact OD1-ND1 2.74Å; D104-H169 PolarHBondContact OD1-ND1 2.84Å; D104-H169 IonicContact OD2-CE1 2.66Å; D104-H169 IonicContact OD2-ND1 2.96Å; D104-H169 PolarHBondContact OD2-ND1 2.81Å
105	L	91.3	Very high	86.7	Confident	19 Å²	19	48.5 Å²	48.5	10%	0.099	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.7	179	-54.6	-173.9	0	0	0	111	F48 L73 P103 M120 G165 I176	F48-L105 HydrophobicContact CD2-CD1 4.08Å; F48-L105 HydrophobicContact CE2-CD1 4.02Å; L73-L105 HydrophobicContact CD2-CD1 3.72Å; P103-L105 HydrophobicContact CB-CD2 4.22Å; P103-L105 HydrophobicContact CB-CG 4.17Å; P103-L105 HydrophobicContact CG-CG 4.36Å; P103-L105 PolarHBondContact O-N 2.7Å; P103-L105 VanDerWaalsContact O-N 3.09Å; L105-M120 HydrophobicContact CB-CE 4.02Å; L105-M120 HydrophobicContact CD1-CE 4.07Å; L105-M120 HydrophobicContact CG-CE 4.1Å; L105-G165 CarbonylContact C-O 3.3Å; L105-G165 VanDerWaalsContact CA-O 3.3Å; L105-G165 WeakPolarHBondContact CA-O 3.48Å; L105-I176 HydrophobicContact CD2-CD1 3.42Å; L105-I176 VanDerWaalsContact CD2-CD1 3.42Å; L105-I176 HydrophobicContact CD2-CG1 4.43Å
106	V	90	Very high	84.9	Confident	40 Å²	40	53 Å²	53	24%	0.242	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	154.4	177.2	-64.3	0	0	0	0	111.1	D104 Y108 L164 G165 W167	D104-V106 PolarHBondContact O-N 3.08Å; V106-Y108 HydrophobicContact CG2-CD2 4.24Å; V106-Y108 HydrophobicContact CG2-CE2 3.85Å; V106-L164 WeakPolarHBondContact O-CA 3.28Å; V106-G165 WeakPolarHBondContact CG2-O 3.35Å; V106-G165 PolarHBondContact N-O 2.91Å; V106-G165 PolarHBondContact O-N 2.95Å; V106-G165 VanDerWaalsContact O-N 3.15Å; V106-W167 HydrophobicContact CG1-CB 3.87Å; V106-W167 HydrophobicContact CG2-CB 4.05Å; V106-W167 HydrophobicContact CG2-CE3 4.22Å
107	L	91.8	Very high	82.7	Confident	15 Å²	15	54.7 Å²	54.7	8%	0.079	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	106.3	176.3	-173.4	64.5	0	0	0	110	A110 H142 V144 I162 L164	L107-A110 HydrophobicContact CB-CB 4.34Å; L107-A110 HydrophobicContact CD2-CB 3.91Å; L107-A110 HydrophobicContact CG-CB 4.07Å; L107-H142 HydrophobicContact CD2-CB 4Å; L107-V144 HydrophobicContact CD1-CG1 3.69Å; L107-V144 HydrophobicContact CD2-CG1 3.77Å; L107-V144 HydrophobicContact CG-CG1 4.1Å; L107-I162 HydrophobicContact CD1-CG2 3.63Å; L107-L164 HydrophobicContact CB-CD2 4.32Å; L107-L164 HydrophobicContact CD1-CD2 3.98Å
108	Y	91.7	Very high	80.6	Confident	92 Å²	92	58.8 Å²	58.8	36%	0.361	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-30.8	-174.8	-84.4	-85	0	0	0	113.7	V106 V163 S166 L234	V106-Y108 HydrophobicContact CG2-CD2 4.24Å; V106-Y108 HydrophobicContact CG2-CE2 3.85Å; Y108-V163 HydrophobicContact CD2-CG1 4.46Å; Y108-V163 PolarHBondContact N-O 2.89Å; Y108-S166 PolarHBondContact OH-O 3.46Å; Y108-L234 HydrophobicContact CD2-CD2 3.87Å; Y108-L234 HydrophobicContact CE2-CD2 3.65Å
109	N	93.5	Very high	78.8	Confident	21 Å²	21	60.8 Å²	60.8	11%	0.112	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	31.7	-179.8	70.7	-43.9	0	0	0	112.5	A111 V144 T145 P161 V163	N109-A111 PolarHBondContact O-N 3.39Å; N109-V144 CarbonylContact O-C 3.54Å; N109-V144 WeakPolarHBondContact O-CA 3.06Å; N109-T145 PolarHBondContact ND2-O 2.78Å; N109-T145 PolarHBondContact O-N 3.08Å; N109-T145 PolarHBondContact O-OG1 2.86Å; N109-P161 PolarHBondContact ND2-O 2.85Å; N109-V163 HydrophobicContact CB-CG2 4.41Å; N109-V163 PolarHBondContact OD1-N 2.79Å
110	A	92.3	Very high	77	Confident	25 Å²	25	56.9 Å²	56.9	21%	0.207	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-56.7	129.5	174.8	0	0	0	0	0	110.8	L107 D115 H143	L107-A110 HydrophobicContact CB-CB 4.34Å; L107-A110 HydrophobicContact CD2-CB 3.91Å; L107-A110 HydrophobicContact CG-CB 4.07Å; A110-D115 HydrophobicContact CB-CB 4.18Å; A110-H143 CarbonylContact C-O 3.48Å; A110-H143 WeakPolarHBondContact CA-O 3.3Å
111	A	90.5	Very high	75.2	Confident	34 Å²	34	60.2 Å²	60.2	28%	0.281	31%	0.313	S	S	.	.	S	Bend	trans	-77	-32.2	176.5	0	0	0	0	0	112.1	N109 H143 T145	N109-A111 PolarHBondContact O-N 3.39Å; A111-H143 VanDerWaalsContact CB-CD2 3.45Å; A111-H143 WeakPolarHBondContact CB-CD2 3.21Å; A111-H143 PolarHBondContact N-O 3.07Å; A111-T145 HydrophobicContact CB-CG2 3.69Å
112	D	83.3	Confident	73.7	Confident	79 Å²	79	63.4 Å²	63.4	42%	0.422	33%	0.327	S	S	.	.	S	Bend	trans	-114.1	141.3	174.8	-75.4	-32.1	0	0	0	111.5	L114 D115 H143	D112-L114 PolarHBondContact O-N 3.47Å; D112-D115 PolarHBondContact O-N 2.82Å; D112-H143 IonicContact OD2-CD2 3.82Å; D112-H143 PolarHBondContact OD2-CD2 3.45Å; D112-H143 VanDerWaalsContact OD2-CD2 3.31Å; D112-H143 IonicContact OD2-NE2 2.74Å
113	Q	69.4	Low	72.6	Confident	164 Å²	164	69.3 Å²	69.3	77%	0.766	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-65.1	-16.3	172.8	-69.8	-163.7	11.4	0	0	113.1	D115 L116	Q113-D115 PolarHBondContact O-N 3.45Å; Q113-L116 VanDerWaalsContact CA-CD1 3.47Å; Q113-L116 HydrophobicContact CB-CD1 3.5Å; Q113-L116 HydrophobicContact CB-CG 4.33Å; Q113-L116 HydrophobicContact CG-CD1 3.65Å; Q113-L116 WeakPolarHBondContact O-CB 3.18Å; Q113-L116 WeakPolarHBondContact O-CD1 3.43Å; Q113-L116 WeakPolarHBondContact O-CG 3.36Å; Q113-L116 PolarHBondContact O-N 3.18Å; Q113-L116 VanDerWaalsContact O-N 3.11Å
114	L	61.4	Low	72.2	Confident	150 Å²	150	71.4 Å²	71.4	79%	0.785	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-65.9	-22.6	176.8	-89.2	104.6	0	0	0	113.1	D112 L116	D112-L114 PolarHBondContact O-N 3.47Å; L114-L116 PolarHBondContact O-N 3.03Å
115	D	56.4	Low	72.2	Confident	24 Å²	24	72.8 Å²	72.8	13%	0.128	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-78.6	-5.3	176.1	-71.8	-6.6	0	0	0	112.3	A110 D112 Q113 H143	A110-D115 HydrophobicContact CB-CB 4.18Å; D112-D115 PolarHBondContact O-N 2.82Å; Q113-D115 PolarHBondContact O-N 3.45Å; D115-H143 WeakPolarHBondContact OD2-CA 3.3Å; D115-H143 WeakPolarHBondContact OD2-CB 3.48Å; D115-H143 PolarHBondContact OD2-N 2.55Å
116	L	53.3	Low	72.3	Confident	94 Å²	94	71.9 Å²	71.9	49%	0.492	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.8	-169.8	-71.6	169.2	0	0	0	115.5	Q113 L114	Q113-L116 VanDerWaalsContact CA-CD1 3.47Å; Q113-L116 HydrophobicContact CB-CD1 3.5Å; Q113-L116 HydrophobicContact CB-CG 4.33Å; Q113-L116 HydrophobicContact CG-CD1 3.65Å; Q113-L116 WeakPolarHBondContact O-CB 3.18Å; Q113-L116 WeakPolarHBondContact O-CD1 3.43Å; Q113-L116 WeakPolarHBondContact O-CG 3.36Å; Q113-L116 PolarHBondContact O-N 3.18Å; Q113-L116 VanDerWaalsContact O-N 3.11Å; L114-L116 PolarHBondContact O-N 3.03Å
117	P	44.9	Very low	72.6	Confident	91 Å²	91	74.9 Å²	74.9	59%	0.591	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.7	56.4	154.3	38.8	-18.2	0	0	0	113.6	R119	P117-R119 HydrophobicContact CB-CG 4.4Å; P117-R119 PolarHBondContact O-N 3.35Å
118	T	44	Very low	72.8	Confident	88 Å²	88	74.1 Å²	74.1	54%	0.54	37%	0.369	S	S	.	.			trans	-69.2	74.3	144.9	36.7	0	0	0	0	106.3	M120	T118-M120 PolarHBondContact O-N 2.78Å
119	R	50.8	Low	73.1	Confident	148 Å²	148	72 Å²	72	56%	0.558	36%	0.362	S	S	*	.			trans	-44.3	116	164.9	-49.3	-162.2	-144.4	172.8	6.7	103.8	P117 N121 F122	P117-R119 HydrophobicContact CB-CG 4.4Å; P117-R119 PolarHBondContact O-N 3.35Å; R119-N121 VanDerWaalsContact O-CA 3.3Å; R119-N121 WeakPolarHBondContact O-CA 3.03Å; R119-N121 PolarHBondContact O-N 3.29Å; R119-F122 HydrophobicContact CB-CD2 3.96Å; R119-F122 HydrophobicContact CB-CE1 4.27Å; R119-F122 HydrophobicContact CB-CE2 3.64Å; R119-F122 HydrophobicContact CB-CG 4.47Å; R119-F122 HydrophobicContact CB-CZ 3.93Å; R119-F122 HydrophobicContact CG-CD2 4.42Å; R119-F122 HydrophobicContact CG-CE1 4.38Å; R119-F122 HydrophobicContact CG-CE2 3.61Å; R119-F122 HydrophobicContact CG-CZ 3.71Å
120	M	52.8	Low	73.2	Confident	21 Å²	21	71.8 Å²	71.8	10%	0.103	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-17.4	108	174.1	-75	-161.3	-77	0	0	108.6	L73 L105 T118 F122 Y136 P138	L73-M120 HydrophobicContact CD1-CE 4.16Å; L73-M120 HydrophobicContact CD1-SD 4.01Å; L73-M120 HydrophobicContact CD2-CE 3.85Å; L105-M120 HydrophobicContact CB-CE 4.02Å; L105-M120 HydrophobicContact CD1-CE 4.07Å; L105-M120 HydrophobicContact CG-CE 4.1Å; T118-M120 PolarHBondContact O-N 2.78Å; M120-F122 PolarHBondContact O-N 2.8Å; M120-Y136 VanDerWaalsContact C-OH 3.26Å; M120-Y136 HydrophobicContact CB-CE1 3.96Å; M120-Y136 WeakPolarHBondContact CB-OH 3.45Å; M120-Y136 HydrophobicContact CE-CE1 4.33Å; M120-Y136 PolarHBondContact O-OH 2.9Å; M120-P138 HydrophobicContact CB-CB 3.55Å; M120-P138 HydrophobicContact CB-CG 3.73Å; M120-P138 HydrophobicContact CE-CG 4.4Å; M120-P138 HydrophobicContact CG-CB 4.06Å; M120-P138 HydrophobicContact CG-CG 3.83Å; M120-P138 HydrophobicContact SD-CB 4.11Å; M120-P138 HydrophobicContact SD-CG 3.21Å; M120-P138 WeakPolarHBondContact SD-CG 3.28Å
121	N	55.2	Low	73.4	Confident	70 Å²	70	74.4 Å²	74.4	37%	0.374	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-27.3	107.4	-154.6	-77.9	-46.8	0	0	0	112.6	R119 Q123 Q124 M139	R119-N121 VanDerWaalsContact O-CA 3.3Å; R119-N121 WeakPolarHBondContact O-CA 3.03Å; R119-N121 PolarHBondContact O-N 3.29Å; N121-Q123 PolarHBondContact O-N 2.74Å; N121-Q124 HydrophobicContact CB-CG 4.02Å; N121-Q124 PolarHBondContact O-N 2.92Å; N121-M139 PolarHBondContact ND2-O 2.56Å
122	F	60.5	Low	73.7	Confident	73 Å²	73	72.8 Å²	72.8	32%	0.32	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	-37.5	179.3	-73.7	-83.9	0	0	0	111.6	S97 W98 R119 M120 Q124	S97-F122 PolarHBondContact OG-O 2.91Å; S97-F122 VanDerWaalsContact OG-O 3.04Å; W98-F122 HydrophobicContact CB-CD1 4.02Å; W98-F122 HydrophobicContact CE3-CB 4.17Å; W98-F122 WeakPolarHBondContact CZ3-O 3.47Å; R119-F122 HydrophobicContact CB-CD2 3.96Å; R119-F122 HydrophobicContact CB-CE1 4.27Å; R119-F122 HydrophobicContact CB-CE2 3.64Å; R119-F122 HydrophobicContact CB-CG 4.47Å; R119-F122 HydrophobicContact CB-CZ 3.93Å; R119-F122 HydrophobicContact CG-CD2 4.42Å; R119-F122 HydrophobicContact CG-CE1 4.38Å; R119-F122 HydrophobicContact CG-CE2 3.61Å; R119-F122 HydrophobicContact CG-CZ 3.71Å; M120-F122 PolarHBondContact O-N 2.8Å; F122-Q124 PolarHBondContact O-N 3.04Å
123	Q	70.1	Confident	74.3	Confident	164 Å²	164	73.5 Å²	73.5	77%	0.766	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.1	-178.4	-63.8	-174.4	-10.2	0	0	115.2	N121	N121-Q123 PolarHBondContact O-N 2.74Å
124	Q	83.4	Confident	75.7	Confident	46 Å²	46	65.7 Å²	65.7	22%	0.215	32%	0.323	C	S	.	.	S	Bend	trans	-88.1	141.3	-177.3	-66.2	176.2	-45.1	0	0	112.1	S97 N121 F122 Y136	S97-Q124 WeakPolarHBondContact CB-O 3.44Å; S97-Q124 PolarHBondContact N-O 3.44Å; S97-Q124 VanDerWaalsContact N-O 3.14Å; S97-Q124 PolarHBondContact OG-O 3.27Å; N121-Q124 HydrophobicContact CB-CG 4.02Å; N121-Q124 PolarHBondContact O-N 2.92Å; F122-Q124 PolarHBondContact O-N 3.04Å; Q124-Y136 HydrophobicContact CB-CE2 4.13Å
125	H	89.5	Confident	77.3	Confident	71 Å²	71	60 Å²	60	33%	0.329	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	145.2	176.4	-68.8	-114	0	0	0	110.7	S94 V95 H96	S94-H125 WeakPolarHBondContact OG-CB 2.92Å; S94-H125 PolarHBondContact OG-ND1 3Å; V95-H125 CarbonylContact O-C 3.54Å; V95-H125 VanDerWaalsContact O-CA 3.23Å; V95-H125 WeakPolarHBondContact O-CA 3.43Å; H96-H125 AromaticContact CD2-CD2 3.98Å; H96-H125 AromaticContact CD2-CE1 3.45Å; H96-H125 PolarHBondContact CD2-CE1 3.11Å; H96-H125 VanDerWaalsContact CD2-CE1 3.45Å; H96-H125 AromaticContact CD2-NE2 3.38Å; H96-H125 PolarHBondContact CD2-NE2 3.24Å; H96-H125 AromaticContact CE1-CE1 3.51Å; H96-H125 AromaticContact CE1-NE2 3.93Å; H96-H125 AromaticContact CG-CE1 3.84Å; H96-H125 AromaticContact ND1-CE1 3.84Å; H96-H125 AromaticContact NE2-CE1 3.3Å; H96-H125 PolarHBondContact NE2-CE1 3.14Å; H96-H125 VanDerWaalsContact NE2-CE1 3.3Å; H96-H125 AromaticContact NE2-NE2 3.26Å; H96-H125 PolarHBondContact NE2-NE2 2.95Å
126	A	93.7	Very high	79.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	146.3	164.8	0	0	0	0	0	109.3	S94 V95 I100 V134 E135 Y136	S94-A126 WeakPolarHBondContact CA-O 3.48Å; V95-A126 PolarHBondContact N-O 3.26Å; V95-A126 PolarHBondContact O-N 2.93Å; I100-A126 HydrophobicContact CD1-CB 3.66Å; A126-V134 HydrophobicContact CB-CG1 4.1Å; A126-E135 CarbonylContact C-O 3.59Å; A126-E135 WeakPolarHBondContact CA-O 3.23Å; A126-Y136 HydrophobicContact CB-CD2 4.05Å; A126-Y136 HydrophobicContact CB-CG 4.46Å
127	W	95.8	Very high	80.9	Confident	102 Å²	102	58.4 Å²	58.4	39%	0.386	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	124.9	170.7	-73	95.9	0	0	0	109.3	R92 V134 E135 F137	R92-W127 HydrophobicContact CG-CE3 3.74Å; R92-W127 HydrophobicContact CG-CZ3 4.34Å; W127-V134 CarbonylContact O-C 3.51Å; W127-V134 WeakPolarHBondContact O-CA 3.43Å; W127-E135 HydrophobicContact CB-CB 4.34Å; W127-E135 PolarHBondContact N-O 3.47Å; W127-E135 PolarHBondContact O-N 3.49Å; W127-F137 AromaticContact CD1-CE1 3.6Å; W127-F137 AromaticContact CD1-CZ 3.93Å; W127-F137 AromaticContact NE1-CE1 3.98Å; W127-F137 AromaticContact NE1-CZ 3.87Å
128	V	96.3	Very high	83.1	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	128.9	175.9	-172.9	0	0	0	0	107.5	L80 W82 R92 M93 V95 I100 V134	L80-V128 HydrophobicContact CB-CG1 3.85Å; L80-V128 HydrophobicContact CD1-CG1 4.22Å; L80-V128 HydrophobicContact CD1-CG2 4.29Å; W82-V128 HydrophobicContact CH2-CB 4.39Å; W82-V128 HydrophobicContact CH2-CG1 4.05Å; W82-V128 WeakPolarHBondContact CH2-O 3.39Å; W82-V128 HydrophobicContact CZ3-CB 4.47Å; W82-V128 HydrophobicContact CZ3-CG1 3.71Å; R92-V128 CarbonylContact C-O 3.58Å; R92-V128 VanDerWaalsContact CA-O 3.32Å; R92-V128 WeakPolarHBondContact CA-O 3.3Å; R92-V128 WeakPolarHBondContact CG-O 3.27Å; M93-V128 HydrophobicContact CE-CB 3.9Å; M93-V128 HydrophobicContact CE-CG1 4.42Å; M93-V128 HydrophobicContact CE-CG2 4.21Å; M93-V128 PolarHBondContact N-O 3.45Å; M93-V128 PolarHBondContact O-N 3.38Å; V95-V128 HydrophobicContact CG2-CG2 4.04Å; I100-V128 HydrophobicContact CD1-CG2 4.32Å; V128-V134 HydrophobicContact CG1-CG2 4.38Å; V128-V134 HydrophobicContact CG2-CG1 4.4Å; V128-V134 HydrophobicContact CG2-CG2 4.4Å
129	E	97.1	Very high	85.2	Confident	46 Å²	46	53.5 Å²	53.5	22%	0.215	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	149.8	173.3	-168.3	164.6	-108.3	0	0	110.4	R92 T131 G132 R133	R92-E129 IonicContact CZ-OE1 3.3Å; R92-E129 IonicContact NE-OE1 3.09Å; R92-E129 IonicContact NH2-OE1 2.98Å; R92-E129 PolarHBondContact NH2-OE1 3.31Å; E129-T131 PolarHBondContact O-N 3.04Å; E129-T131 PolarHBondContact OE2-OG1 3.23Å; E129-G132 PolarHBondContact O-N 2.78Å; E129-R133 HydrophobicContact CB-CB 4.17Å; E129-R133 PolarHBondContact N-O 3.24Å
130	S	96.6	Very high	87	Confident	17 Å²	17	47.3 Å²	47.3	12%	0.119	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-22.6	-178.5	53.7	0	0	0	0	114.7	Y81 W82 S91 G132	Y81-S130 WeakPolarHBondContact CA-O 3.46Å; W82-S130 VanDerWaalsContact CE2-CB 3.49Å; W82-S130 VanDerWaalsContact CH2-N 3.3Å; W82-S130 VanDerWaalsContact CZ2-CA 3.5Å; W82-S130 PolarHBondContact N-O 3.3Å; W82-S130 VanDerWaalsContact N-O 3.15Å; S91-S130 WeakPolarHBondContact O-CB 3.35Å; S91-S130 PolarHBondContact O-N 2.92Å; S91-S130 PolarHBondContact O-OG 3.14Å; S130-G132 VanDerWaalsContact C-N 3.28Å; S130-G132 PolarHBondContact O-N 2.75Å
131	T	96.6	Very high	88.8	Confident	81 Å²	81	51.8 Å²	51.8	50%	0.497	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-13.7	175.5	57.8	0	0	0	0	113.8	H76 E129 R133	H76-T131 PolarHBondContact CE1-O 2.66Å; E129-T131 PolarHBondContact O-N 3.04Å; E129-T131 PolarHBondContact OE2-OG1 3.23Å; T131-R133 PolarHBondContact OG1-N 3.43Å
132	G	95.7	Very high	90.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	94.4	-2	-169.5	0	0	0	0	0	113.9	D77 L80 E129 S130 V134	D77-G132 PolarHBondContact N-O 3.46Å; L80-G132 WeakPolarHBondContact O-CA 3.32Å; E129-G132 PolarHBondContact O-N 2.78Å; S130-G132 VanDerWaalsContact C-N 3.28Å; S130-G132 PolarHBondContact O-N 2.75Å; G132-V134 PolarHBondContact O-N 2.78Å
133	R	97.7	Very high	92.1	Very high	94 Å²	94	46.7 Å²	46.7	36%	0.355	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	128.4	173.5	177.5	179.9	164.6	147	0.7	110.2	L74 E129 T131 E135	L74-R133 HydrophobicContact CD1-CG 3.46Å; L74-R133 VanDerWaalsContact CD1-CG 3.46Å; L74-R133 VanDerWaalsContact CD1-NE 3.31Å; E129-R133 HydrophobicContact CB-CB 4.17Å; E129-R133 PolarHBondContact N-O 3.24Å; T131-R133 PolarHBondContact OG1-N 3.43Å; R133-E135 IonicContact CZ-OE1 3.78Å; R133-E135 VanDerWaalsContact CZ-OE1 3.22Å; R133-E135 IonicContact NE-OE1 3.83Å; R133-E135 PolarHBondContact NE-OE1 2.92Å; R133-E135 IonicContact NH2-OE1 3.61Å; R133-E135 PolarHBondContact NH2-OE1 3.49Å
134	V	97	Very high	93.2	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.3	177.4	-172.2	0	0	0	0	110.2	L74 W75 D77 L80 I100 A126 W127 V128 G132	L74-V134 WeakPolarHBondContact CA-O 3.49Å; L74-V134 WeakPolarHBondContact CD1-O 3.36Å; W75-V134 HydrophobicContact CD2-CB 4.01Å; W75-V134 HydrophobicContact CD2-CG1 4.41Å; W75-V134 HydrophobicContact CE3-CB 4.39Å; W75-V134 HydrophobicContact CH2-CB 4.13Å; W75-V134 HydrophobicContact CH2-CG1 3.45Å; W75-V134 VanDerWaalsContact CH2-CG1 3.45Å; W75-V134 HydrophobicContact CZ2-CB 3.71Å; W75-V134 HydrophobicContact CZ2-CG1 3.3Å; W75-V134 HydrophobicContact CZ2-CG2 4.3Å; W75-V134 HydrophobicContact CZ3-CB 4.45Å; W75-V134 HydrophobicContact CZ3-CG1 4.07Å; W75-V134 PolarHBondContact N-O 2.9Å; W75-V134 VanDerWaalsContact N-O 3.16Å; W75-V134 PolarHBondContact O-N 3.03Å; D77-V134 HydrophobicContact CB-CG2 3.98Å; L80-V134 HydrophobicContact CD1-CG2 4.07Å; I100-V134 HydrophobicContact CD1-CG1 3.78Å; A126-V134 HydrophobicContact CB-CG1 4.1Å; W127-V134 CarbonylContact O-C 3.51Å; W127-V134 WeakPolarHBondContact O-CA 3.43Å; V128-V134 HydrophobicContact CG1-CG2 4.38Å; V128-V134 HydrophobicContact CG2-CG1 4.4Å; V128-V134 HydrophobicContact CG2-CG2 4.4Å; G132-V134 PolarHBondContact O-N 2.78Å
135	E	95.8	Very high	93.8	Very high	29 Å²	29	39.8 Å²	39.8	14%	0.136	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128.6	173.4	-69.2	-176.4	-150.6	0	0	110.1	Y72 L74 A126 W127 R133	Y72-E135 WeakPolarHBondContact OH-CG 3.3Å; Y72-E135 PolarHBondContact OH-OE2 2.81Å; L74-E135 HydrophobicContact CD1-CG 3.84Å; A126-E135 CarbonylContact C-O 3.59Å; A126-E135 WeakPolarHBondContact CA-O 3.23Å; W127-E135 HydrophobicContact CB-CB 4.34Å; W127-E135 PolarHBondContact N-O 3.47Å; W127-E135 PolarHBondContact O-N 3.49Å; R133-E135 IonicContact CZ-OE1 3.78Å; R133-E135 VanDerWaalsContact CZ-OE1 3.22Å; R133-E135 IonicContact NE-OE1 3.83Å; R133-E135 PolarHBondContact NE-OE1 2.92Å; R133-E135 IonicContact NH2-OE1 3.61Å; R133-E135 PolarHBondContact NH2-OE1 3.49Å
136	Y	93.9	Very high	94	Very high	1 Å²	1	36.7 Å²	36.7	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	123.7	-179.9	-179.4	-130.9	0	0	0	109.8	L73 W75 K102 M120 Q124 A126 P138	L73-Y136 HydrophobicContact CD1-CD1 4.12Å; L73-Y136 PolarHBondContact N-O 3.43Å; L73-Y136 PolarHBondContact O-N 3.1Å; W75-Y136 HydrophobicContact CH2-CG 4.41Å; K102-Y136 HydrophobicContact CD-CE1 4.2Å; M120-Y136 VanDerWaalsContact C-OH 3.26Å; M120-Y136 HydrophobicContact CB-CE1 3.96Å; M120-Y136 WeakPolarHBondContact CB-OH 3.45Å; M120-Y136 HydrophobicContact CE-CE1 4.33Å; M120-Y136 PolarHBondContact O-OH 2.9Å; Q124-Y136 HydrophobicContact CB-CE2 4.13Å; A126-Y136 HydrophobicContact CB-CD2 4.05Å; A126-Y136 HydrophobicContact CB-CG 4.46Å; Y136-P138 VanDerWaalsContact C-CD 3.49Å; Y136-P138 HydrophobicContact CD1-CG 3.9Å; Y136-P138 HydrophobicContact CE1-CB 3.84Å; Y136-P138 HydrophobicContact CE1-CG 3.5Å; Y136-P138 VanDerWaalsContact CE1-CG 3.5Å; Y136-P138 HydrophobicContact CE2-CB 4.22Å; Y136-P138 WeakPolarHBondContact O-CD 3.49Å
137	F	90.7	Very high	93.9	Very high	85 Å²	85	42.8 Å²	42.8	37%	0.373	20%	0.203	S	C	.	.			trans	-122.7	75.7	-177.2	45.4	-92.1	0	0	0	112.2	F70 H71 Y72 W127	F70-F137 HydrophobicContact CD2-CB 4.47Å; H71-F137 CarbonylContact O-C 3.48Å; H71-F137 VanDerWaalsContact O-C 3.3Å; H71-F137 WeakPolarHBondContact O-CA 3.48Å; Y72-F137 HydrophobicContact CD2-CB 4.23Å; W127-F137 AromaticContact CD1-CE1 3.6Å; W127-F137 AromaticContact CD1-CZ 3.93Å; W127-F137 AromaticContact NE1-CE1 3.98Å; W127-F137 AromaticContact NE1-CZ 3.87Å
138	P	90.9	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.185	C	C	.	.			trans	-75.6	134.6	-176.4	26.5	-30.8	0	0	0	113.5	F70 H71 L73 M120 Y136	F70-P138 CarbonylContact C-O 3.59Å; F70-P138 WeakPolarHBondContact CA-O 3.45Å; F70-P138 WeakPolarHBondContact CB-O 3.46Å; H71-P138 HydrophobicContact CB-CG 4.19Å; H71-P138 PolarHBondContact N-O 3.49Å; H71-P138 VanDerWaalsContact O-CD 3.3Å; H71-P138 WeakPolarHBondContact O-CD 3.47Å; L73-P138 VanDerWaalsContact CD1-CD 3.47Å; L73-P138 HydrophobicContact CD1-CG 3.73Å; M120-P138 HydrophobicContact CB-CB 3.55Å; M120-P138 HydrophobicContact CB-CG 3.73Å; M120-P138 HydrophobicContact CE-CG 4.4Å; M120-P138 HydrophobicContact CG-CB 4.06Å; M120-P138 HydrophobicContact CG-CG 3.83Å; M120-P138 HydrophobicContact SD-CB 4.11Å; M120-P138 HydrophobicContact SD-CG 3.21Å; M120-P138 WeakPolarHBondContact SD-CG 3.28Å; Y136-P138 VanDerWaalsContact C-CD 3.49Å; Y136-P138 HydrophobicContact CD1-CG 3.9Å; Y136-P138 HydrophobicContact CE1-CB 3.84Å; Y136-P138 HydrophobicContact CE1-CG 3.5Å; Y136-P138 VanDerWaalsContact CE1-CG 3.5Å; Y136-P138 HydrophobicContact CE2-CB 4.22Å; Y136-P138 WeakPolarHBondContact O-CD 3.49Å
139	M	90.1	Very high	93.4	Very high	75 Å²	75	41.8 Å²	41.8	37%	0.369	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	142.3	171.4	-55.8	-73.9	-84.4	0	0	109.2	E53 G69 F70 N121	E53-M139 VanDerWaalsContact OE2-CE 3.25Å; E53-M139 WeakPolarHBondContact OE2-CE 3.39Å; G69-M139 CarbonylContact O-C 3.49Å; G69-M139 VanDerWaalsContact O-CA 3.3Å; G69-M139 WeakPolarHBondContact O-CA 3.13Å; F70-M139 HydrophobicContact CB-SD 3.65Å; F70-M139 HydrophobicContact CD1-SD 4.16Å; F70-M139 HydrophobicContact CG-SD 4.29Å; N121-M139 PolarHBondContact ND2-O 2.56Å
140	F	87.9	Confident	93	Very high	19 Å²	19	39.8 Å²	39.8	8%	0.083	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	153.5	-178.5	68.1	-98.5	0	0	0	112.3	V67 H68 G69 F70 H71 H142	V67-F140 HydrophobicContact CG1-CE2 4.34Å; H68-F140 WeakPolarHBondContact CA-O 3.31Å; G69-F140 VanDerWaalsContact C-CD1 3.43Å; G69-F140 PolarHBondContact N-O 2.74Å; G69-F140 VanDerWaalsContact O-CD1 3.3Å; G69-F140 WeakPolarHBondContact O-CD1 3.5Å; G69-F140 PolarHBondContact O-N 2.9Å; F70-F140 VanDerWaalsContact N-CE1 3.32Å; H71-F140 AromaticContact CD2-CD1 3.48Å; H71-F140 VanDerWaalsContact CD2-CD1 3.48Å; H71-F140 WeakPolarHBondContact CD2-CD1 3.5Å; H71-F140 AromaticContact CE1-CD1 3.3Å; H71-F140 WeakPolarHBondContact CE1-CD1 3.2Å; H71-F140 AromaticContact CE1-CE1 3.2Å; H71-F140 WeakPolarHBondContact CE1-CE1 3.02Å; H71-F140 AromaticContact CE1-CZ 3.91Å; H71-F140 AromaticContact CG-CD1 3.96Å; H71-F140 AromaticContact ND1-CD1 3.87Å; H71-F140 AromaticContact ND1-CE1 3.68Å; H71-F140 AromaticContact NE2-CD1 3.02Å; H71-F140 WeakPolarHBondContact NE2-CD1 3.43Å; H71-F140 AromaticContact NE2-CE1 3.5Å; H71-F140 WeakPolarHBondContact NE2-CE1 3.3Å; H71-F140 AromaticContact NE2-CG 3.48Å; H71-F140 WeakPolarHBondContact NE2-CG 3.38Å; F140-H142 HydrophobicContact CD2-CB 3.99Å; F140-H142 AromaticContact CD2-CD2 3.22Å; F140-H142 WeakPolarHBondContact CD2-CD2 3.48Å; F140-H142 AromaticContact CD2-CG 3.43Å; F140-H142 VanDerWaalsContact CD2-CG 3.43Å; F140-H142 AromaticContact CD2-NE2 3.74Å; F140-H142 HydrophobicContact CE2-CB 4.36Å; F140-H142 AromaticContact CE2-CD2 3.59Å; F140-H142 AromaticContact CG-CD2 3.71Å; F140-H142 AromaticContact CG-NE2 3.71Å
141	R	90.3	Very high	92.6	Very high	114 Å²	114	40.5 Å²	40.5	43%	0.43	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	105.4	160.4	-178.9	-176.8	102.5	111.9	4.3	106.5	E56 T66 V67 H68	E56-R141 IonicContact OE1-NH1 3.5Å; E56-R141 PolarHBondContact OE1-NH1 2.97Å; E56-R141 IonicContact OE2-NH1 3.57Å; E56-R141 PolarHBondContact OE2-NH1 2.73Å; E56-R141 VanDerWaalsContact OE2-NH1 3.09Å; T66-R141 HydrophobicContact CG2-CG 3.82Å; V67-R141 CarbonylContact O-C 3.51Å; V67-R141 WeakPolarHBondContact O-CA 3.41Å; H68-R141 VanDerWaalsContact CE1-CD 3.44Å; H68-R141 WeakPolarHBondContact CE1-CD 3.18Å; H68-R141 VanDerWaalsContact CE1-CG 3.4Å; H68-R141 WeakPolarHBondContact CE1-CG 3.48Å
142	H	91.7	Very high	92.2	Very high	21 Å²	21	41.9 Å²	41.9	10%	0.097	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	119.6	-175.7	-73.4	-26.1	0	0	0	109.6	T66 V67 H71 L107 F140 V144	T66-H142 VanDerWaalsContact CA-O 3.31Å; T66-H142 WeakPolarHBondContact CA-O 3.3Å; V67-H142 PolarHBondContact N-O 3.23Å; V67-H142 PolarHBondContact O-N 3.07Å; H71-H142 AromaticContact CE1-NE2 3.68Å; H71-H142 AromaticContact NE2-CD2 3.87Å; H71-H142 AromaticContact NE2-CE1 3.91Å; H71-H142 AromaticContact NE2-NE2 3.04Å; H71-H142 PolarHBondContact NE2-NE2 3.13Å; L107-H142 HydrophobicContact CD2-CB 4Å; F140-H142 HydrophobicContact CD2-CB 3.99Å; F140-H142 AromaticContact CD2-CD2 3.22Å; F140-H142 WeakPolarHBondContact CD2-CD2 3.48Å; F140-H142 AromaticContact CD2-CG 3.43Å; F140-H142 VanDerWaalsContact CD2-CG 3.43Å; F140-H142 AromaticContact CD2-NE2 3.74Å; F140-H142 HydrophobicContact CE2-CB 4.36Å; F140-H142 AromaticContact CE2-CD2 3.59Å; F140-H142 AromaticContact CG-CD2 3.71Å; F140-H142 AromaticContact CG-NE2 3.71Å; H142-V144 HydrophobicContact CB-CG1 4.36Å
143	H	93.4	Very high	91.7	Very high	15 Å²	15	42.6 Å²	42.6	7%	0.069	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	103.7	170.2	-167.7	51.5	0	0	0	109.3	S64 T66 A110 A111 D112 D115	S64-H143 PolarHBondContact OG-CE1 2.82Å; S64-H143 PolarHBondContact OG-NE2 2.96Å; T66-H143 PolarHBondContact OG1-ND1 2.86Å; A110-H143 CarbonylContact C-O 3.48Å; A110-H143 WeakPolarHBondContact CA-O 3.3Å; A111-H143 VanDerWaalsContact CB-CD2 3.45Å; A111-H143 WeakPolarHBondContact CB-CD2 3.21Å; A111-H143 PolarHBondContact N-O 3.07Å; D112-H143 IonicContact OD2-CD2 3.82Å; D112-H143 PolarHBondContact OD2-CD2 3.45Å; D112-H143 VanDerWaalsContact OD2-CD2 3.31Å; D112-H143 IonicContact OD2-NE2 2.74Å; D115-H143 WeakPolarHBondContact OD2-CA 3.3Å; D115-H143 WeakPolarHBondContact OD2-CB 3.48Å; D115-H143 PolarHBondContact OD2-N 2.55Å
144	V	94.1	Very high	91.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	150.3	-172.3	-67.1	0	0	0	0	112.5	S64 M65 L107 N109 H142 I162	S64-V144 CarbonylContact C-O 3.5Å; S64-V144 WeakPolarHBondContact CA-O 3.27Å; S64-V144 WeakPolarHBondContact CB-O 3.2Å; M65-V144 HydrophobicContact CB-CG2 4.08Å; M65-V144 HydrophobicContact CE-CG2 3.62Å; M65-V144 PolarHBondContact N-O 3.5Å; M65-V144 WeakPolarHBondContact O-CG2 3.3Å; M65-V144 PolarHBondContact O-N 3.32Å; L107-V144 HydrophobicContact CD1-CG1 3.69Å; L107-V144 HydrophobicContact CD2-CG1 3.77Å; L107-V144 HydrophobicContact CG-CG1 4.1Å; N109-V144 CarbonylContact O-C 3.54Å; N109-V144 WeakPolarHBondContact O-CA 3.06Å; H142-V144 HydrophobicContact CB-CG1 4.36Å; V144-I162 HydrophobicContact CG1-CB 4.46Å; V144-I162 HydrophobicContact CG1-CG1 4.15Å; V144-I162 HydrophobicContact CG1-CG2 4.35Å; V144-I162 HydrophobicContact CG2-CG1 4.33Å
145	T	94.4	Very high	90.7	Very high	65 Å²	65	45 Å²	45	40%	0.399	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	142.6	166.3	54.3	0	0	0	0	110.4	N109 A111	N109-T145 PolarHBondContact ND2-O 2.78Å; N109-T145 PolarHBondContact O-N 3.08Å; N109-T145 PolarHBondContact O-OG1 2.86Å; A111-T145 HydrophobicContact CB-CG2 3.69Å
146	C	94.1	Very high	90.4	Very high	7 Å²	7	43.8 Å²	43.8	5%	0.047	21%	0.213	C	C	.	.			trans	-137.9	138	178.7	-177.5	0	0	0	0	110.2	Q63 F148 C160	Q63-C146 WeakPolarHBondContact CB-O 3.33Å; Q63-C146 PolarHBondContact O-N 3.09Å; Q63-C146 VanDerWaalsContact O-O 3.14Å; C146-F148 HydrophobicContact CB-CD2 4.23Å; C146-F148 HydrophobicContact CB-CE2 3.7Å; C146-F148 HydrophobicContact CB-CZ 4.16Å; C146-F148 WeakPolarHBondContact O-CD2 3.44Å; C146-F148 PolarHBondContact O-N 2.85Å; C146-C160 HydrophobicContact CB-CB 3.7Å; C146-C160 WeakPolarHBondContact CB-SG 3.22Å; C146-C160 WeakPolarHBondContact SG-CA 3.44Å; C146-C160 WeakPolarHBondContact SG-CB 3.25Å; C146-C160 CovalentContact SG-SG 2.04Å; C146-C160 PolarHBondContact SG-SG 2.74Å
147	N	92.1	Very high	90.4	Very high	128 Å²	128	47.3 Å²	47.3	68%	0.684	23%	0.231	S	C	*	.			trans	-89.7	96	177.7	-176.8	28.7	0	0	0	109.8
148	F	91	Very high	90.6	Very high	1 Å²	1	43.3 Å²	43.3	0%	0.004	21%	0.214	C	C	.	.			trans	-76.2	133.7	-179	-70.8	-92.5	0	0	0	112.3	V58 Q63 C146 F150 Q158 W199	V58-F148 HydrophobicContact CG1-CE1 3.62Å; V58-F148 HydrophobicContact CG1-CZ 3.5Å; Q63-F148 HydrophobicContact CB-CD2 3.99Å; Q63-F148 HydrophobicContact CB-CE2 4.4Å; Q63-F148 HydrophobicContact CG-CD2 4.19Å; C146-F148 HydrophobicContact CB-CD2 4.23Å; C146-F148 HydrophobicContact CB-CE2 3.7Å; C146-F148 HydrophobicContact CB-CZ 4.16Å; C146-F148 WeakPolarHBondContact O-CD2 3.44Å; C146-F148 PolarHBondContact O-N 2.85Å; F148-F150 HydrophobicContact CB-CE1 3.85Å; F148-F150 HydrophobicContact CB-CE2 3.81Å; F148-F150 HydrophobicContact CB-CZ 3.41Å; F148-F150 VanDerWaalsContact CB-CZ 3.41Å; F148-F150 HydrophobicContact CD1-CE1 4.09Å; F148-F150 HydrophobicContact CD1-CZ 4.15Å; F148-F150 HydrophobicContact CG-CE1 4.27Å; F148-F150 AromaticContact CG-CZ 3.9Å; F148-F150 HydrophobicContact CG-CZ 3.9Å; F148-Q158 VanDerWaalsContact CA-OE1 3.27Å; F148-Q158 HydrophobicContact CD1-CB 4.15Å; F148-Q158 HydrophobicContact CD1-CG 3.58Å; F148-Q158 HydrophobicContact CE1-CB 4.19Å; F148-Q158 HydrophobicContact CE1-CG 3.89Å; F148-W199 HydrophobicContact CE1-CZ2 4.44Å
149	D	89.8	Confident	90.8	Very high	80 Å²	80	47.5 Å²	47.5	43%	0.428	23%	0.233	S	C	.	.			trans	-111.5	111.8	170.4	-174.2	-0.1	0	0	0	110.7	S151 Q158	D149-S151 WeakPolarHBondContact OD1-CB 3.43Å; D149-S151 PolarHBondContact OD1-N 2.92Å; D149-S151 PolarHBondContact OD1-OG 2.87Å; D149-Q158 PolarHBondContact O-NE2 3.04Å
150	F	89.2	Confident	91	Very high	3 Å²	3	44 Å²	44	1%	0.013	22%	0.216	C	C	.	.			trans	-97.9	13	-178.9	-55.1	-60	0	0	0	113.5	E60 F148 D152 Y153 P298 P305	E60-F150 HydrophobicContact CB-CE1 4.45Å; E60-F150 HydrophobicContact CB-CZ 3.96Å; E60-F150 HydrophobicContact CG-CE1 4.21Å; E60-F150 HydrophobicContact CG-CZ 4.17Å; F148-F150 HydrophobicContact CB-CE1 3.85Å; F148-F150 HydrophobicContact CB-CE2 3.81Å; F148-F150 HydrophobicContact CB-CZ 3.41Å; F148-F150 VanDerWaalsContact CB-CZ 3.41Å; F148-F150 HydrophobicContact CD1-CE1 4.09Å; F148-F150 HydrophobicContact CD1-CZ 4.15Å; F148-F150 HydrophobicContact CG-CE1 4.27Å; F148-F150 AromaticContact CG-CZ 3.9Å; F148-F150 HydrophobicContact CG-CZ 3.9Å; F150-D152 PolarHBondContact O-N 3.01Å; F150-Y153 WeakPolarHBondContact O-CB 3.48Å; F150-Y153 PolarHBondContact O-N 2.95Å; F150-Y153 VanDerWaalsContact O-N 3.13Å; F150-P298 HydrophobicContact CB-CG 3.92Å; F150-P298 HydrophobicContact CD1-CB 3.95Å; F150-P298 HydrophobicContact CD1-CG 3.45Å; F150-P298 VanDerWaalsContact CD1-CG 3.45Å; F150-P298 HydrophobicContact CD2-CB 3.86Å; F150-P298 HydrophobicContact CD2-CG 3.69Å; F150-P298 HydrophobicContact CE1-CB 3.72Å; F150-P298 HydrophobicContact CE1-CG 3.77Å; F150-P298 HydrophobicContact CE2-CB 3.63Å; F150-P298 HydrophobicContact CE2-CG 4Å; F150-P298 HydrophobicContact CG-CB 4.01Å; F150-P298 HydrophobicContact CG-CG 3.4Å; F150-P298 HydrophobicContact CZ-CB 3.55Å; F150-P298 HydrophobicContact CZ-CG 4.03Å; F150-P305 HydrophobicContact CB-CG 4.21Å; F150-P305 WeakPolarHBondContact O-CB 3.48Å; F150-P305 WeakPolarHBondContact O-CG 3.49Å
151	S	87.6	Confident	91.4	Very high	32 Å²	32	44 Å²	44	22%	0.224	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-38.1	-177.2	-62.8	0	0	0	0	113.1	D149 S303 S306	D149-S151 WeakPolarHBondContact OD1-CB 3.43Å; D149-S151 PolarHBondContact OD1-N 2.92Å; D149-S151 PolarHBondContact OD1-OG 2.87Å; S151-S303 PolarHBondContact OG-OG 3.26Å; S151-S306 PolarHBondContact O-N 2.96Å; S151-S306 PolarHBondContact O-OG 3.46Å; S151-S306 VanDerWaalsContact O-OG 3.09Å
152	D	87.8	Confident	91.6	Very high	110 Å²	110	38.6 Å²	38.6	59%	0.588	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	17.1	-177.6	-68.4	-31.6	0	0	0	114	F150 Y155 D156	F150-D152 PolarHBondContact O-N 3.01Å; D152-Y155 CarbonylContact O-C 3.56Å; D152-Y155 PolarHBondContact O-N 3.48Å; D152-D156 PolarHBondContact O-N 3.02Å
153	Y	86.9	Confident	91.8	Very high	16 Å²	16	38.4 Å²	38.4	6%	0.063	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	135.6	177.5	179.2	-79.4	0	0	0	111.5	F150 F248 Q296 L297 P298 I307	F150-Y153 WeakPolarHBondContact O-CB 3.48Å; F150-Y153 PolarHBondContact O-N 2.95Å; F150-Y153 VanDerWaalsContact O-N 3.13Å; Y153-F248 HydrophobicContact CE1-CD2 4.43Å; Y153-F248 AromaticContact CE1-CE2 3.99Å; Y153-F248 HydrophobicContact CE1-CE2 3.99Å; Y153-Q296 PolarHBondContact OH-O 3.03Å; Y153-L297 HydrophobicContact CD1-CD2 3.91Å; Y153-L297 HydrophobicContact CE1-CD2 3.88Å; Y153-P298 HydrophobicContact CD2-CG 3.97Å; Y153-P298 HydrophobicContact CE2-CG 4.23Å; Y153-I307 HydrophobicContact CD1-CG2 3.82Å
154	P	84.7	Confident	91.8	Very high	4 Å²	4	38 Å²	38	3%	0.026	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	cis	-97.3	14.3	7.5	40.7	-40.6	0	0	0	114.4	D156 R243 F248	P154-D156 VanDerWaalsContact C-N 3.32Å; P154-R243 WeakPolarHBondContact O-CB 3.35Å; P154-R243 WeakPolarHBondContact O-CD 3.46Å; P154-F248 HydrophobicContact CB-CD2 4.12Å; P154-F248 HydrophobicContact CB-CE2 4.41Å; P154-F248 HydrophobicContact CB-CG 4.21Å; P154-F248 HydrophobicContact CG-CB 4.28Å; P154-F248 HydrophobicContact CG-CD1 3.53Å; P154-F248 HydrophobicContact CG-CD2 3.87Å; P154-F248 HydrophobicContact CG-CE1 3.7Å; P154-F248 HydrophobicContact CG-CE2 4.03Å; P154-F248 HydrophobicContact CG-CG 3.62Å; P154-F248 HydrophobicContact CG-CZ 3.95Å
155	Y	88.4	Confident	91.7	Very high	141 Å²	141	38 Å²	38	55%	0.553	20%	0.196	S	C	*	.	S	Bend	trans	-102.1	25.3	179.4	-55.2	-68.8	0	0	0	111.6	D152	D152-Y155 CarbonylContact O-C 3.56Å; D152-Y155 PolarHBondContact O-N 3.48Å
156	D	90.4	Very high	91.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.011	18%	0.177	C	C	.	.			trans	-65.7	147	-178.7	52	-63	0	0	0	112.2	D152 P154 Q158 W199 R243	D152-D156 PolarHBondContact O-N 3.02Å; P154-D156 VanDerWaalsContact C-N 3.32Å; D156-Q158 PolarHBondContact OD2-NE2 2.97Å; D156-W199 WeakPolarHBondContact OD2-CH2 3.42Å; D156-R243 PolarHBondContact O-N 3.06Å; D156-R243 VanDerWaalsContact O-N 3.15Å; D156-R243 WeakPolarHBondContact OD1-CD 3.3Å; D156-R243 IonicContact OD1-CZ 3.27Å; D156-R243 IonicContact OD1-NE 3.12Å; D156-R243 PolarHBondContact OD1-NE 2.94Å; D156-R243 IonicContact OD1-NH2 2.68Å; D156-R243 IonicContact OD2-CZ 3.36Å; D156-R243 IonicContact OD2-NE 3.37Å; D156-R243 PolarHBondContact OD2-NE 2.79Å; D156-R243 IonicContact OD2-NH2 2.77Å; D156-R243 PolarHBondContact OD2-NH2 3Å; D156-R243 VanDerWaalsContact OD2-NH2 3.1Å
157	I	93.9	Very high	91.4	Very high	75 Å²	75	43.3 Å²	43.3	39%	0.385	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.5	174.8	-59.7	172.5	0	0	0	107.5	L202 L241 K242	I157-L202 HydrophobicContact CD1-CD1 4.18Å; I157-L202 HydrophobicContact CG1-CD1 4.38Å; I157-L202 HydrophobicContact CG2-CD1 4.08Å; I157-L241 CarbonylContact C-O 3.57Å; I157-L241 VanDerWaalsContact CA-O 3.29Å; I157-L241 WeakPolarHBondContact CA-O 3.43Å; I157-K242 HydrophobicContact CG1-CB 4.38Å; I157-K242 HydrophobicContact CG1-CG 4.33Å
158	Q	93.7	Very high	91.3	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.5	-177.2	-51.4	-58.6	-20.1	0	0	109.9	F148 D149 D156 W199 R240 L241	F148-Q158 VanDerWaalsContact CA-OE1 3.27Å; F148-Q158 HydrophobicContact CD1-CB 4.15Å; F148-Q158 HydrophobicContact CD1-CG 3.58Å; F148-Q158 HydrophobicContact CE1-CB 4.19Å; F148-Q158 HydrophobicContact CE1-CG 3.89Å; D149-Q158 PolarHBondContact O-NE2 3.04Å; D156-Q158 PolarHBondContact OD2-NE2 2.97Å; Q158-W199 HydrophobicContact CB-CZ3 4.35Å; Q158-W199 HydrophobicContact CG-CE3 4.46Å; Q158-W199 HydrophobicContact CG-CH2 3.54Å; Q158-W199 HydrophobicContact CG-CZ3 3.47Å; Q158-W199 VanDerWaalsContact CG-CZ3 3.47Å; Q158-R240 WeakPolarHBondContact O-CA 3.41Å; Q158-L241 HydrophobicContact CB-CB 4.48Å; Q158-L241 PolarHBondContact N-O 2.77Å; Q158-L241 PolarHBondContact O-N 3Å
159	E	94.4	Very high	91.5	Very high	88 Å²	88	41.5 Å²	41.5	41%	0.411	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	102.3	176.4	-59	-163.1	153.3	0	0	109.2	W238 R240	E159-W238 HydrophobicContact CB-CE3 4.16Å; E159-W238 HydrophobicContact CB-CZ3 4.32Å; E159-R240 HydrophobicContact CG-CG 4.19Å; E159-R240 WeakPolarHBondContact OE1-CD 3.43Å; E159-R240 IonicContact OE1-CZ 2.76Å; E159-R240 IonicContact OE1-NE 2.81Å; E159-R240 PolarHBondContact OE1-NE 2.97Å; E159-R240 IonicContact OE1-NH2 3.49Å
160	C	95.9	Very high	91.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	117.2	-177.4	-60.1	0	0	0	0	110.3	M65 C146 I239	M65-C160 HydrophobicContact CE-CB 3.37Å; M65-C160 HydrophobicContact SD-CB 3.86Å; C146-C160 HydrophobicContact CB-CB 3.7Å; C146-C160 WeakPolarHBondContact CB-SG 3.22Å; C146-C160 WeakPolarHBondContact SG-CA 3.44Å; C146-C160 WeakPolarHBondContact SG-CB 3.25Å; C146-C160 CovalentContact SG-SG 2.04Å; C146-C160 PolarHBondContact SG-SG 2.74Å; C160-I239 PolarHBondContact N-O 2.95Å; C160-I239 PolarHBondContact O-N 3.32Å
161	P	95.7	Very high	92.1	Very high	21 Å²	21	38 Å²	38	14%	0.136	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	145.7	175.8	32	-31.9	0	0	0	111.4	N109 V163 I237 W238	N109-P161 PolarHBondContact ND2-O 2.85Å; P161-V163 HydrophobicContact CB-CG2 4.02Å; P161-V163 HydrophobicContact CG-CG2 4.41Å; P161-I237 CarbonylContact C-O 3.59Å; P161-I237 WeakPolarHBondContact CA-O 3.48Å; P161-W238 HydrophobicContact CB-CD2 3.98Å; P161-W238 HydrophobicContact CB-CE3 3.84Å; P161-W238 HydrophobicContact CB-CH2 3.87Å; P161-W238 HydrophobicContact CB-CZ2 3.99Å; P161-W238 HydrophobicContact CB-CZ3 3.79Å; P161-W238 HydrophobicContact CG-CE3 4.29Å; P161-W238 HydrophobicContact CG-CH2 3.9Å; P161-W238 HydrophobicContact CG-CZ2 4.46Å; P161-W238 HydrophobicContact CG-CZ3 3.8Å
162	I	94.9	Very high	92.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.2	157.5	-57.5	173.9	0	0	0	106	V67 L107 V144 L164 N236 I237 I239	V67-I162 HydrophobicContact CB-CD1 4.16Å; V67-I162 HydrophobicContact CG1-CD1 4.37Å; V67-I162 HydrophobicContact CG2-CD1 4.31Å; L107-I162 HydrophobicContact CD1-CG2 3.63Å; V144-I162 HydrophobicContact CG1-CB 4.46Å; V144-I162 HydrophobicContact CG1-CG1 4.15Å; V144-I162 HydrophobicContact CG1-CG2 4.35Å; V144-I162 HydrophobicContact CG2-CG1 4.33Å; I162-L164 HydrophobicContact CG2-CD1 4.45Å; I162-L164 HydrophobicContact CG2-CG 4.23Å; I162-N236 WeakPolarHBondContact O-CA 3.43Å; I162-I237 HydrophobicContact CB-CB 4.2Å; I162-I237 PolarHBondContact N-O 3.49Å; I162-I237 PolarHBondContact O-N 2.8Å; I162-I239 HydrophobicContact CD1-CD1 4.09Å
163	V	94.7	Very high	92.9	Very high	17 Å²	17	37 Å²	37	10%	0.103	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108	-174.8	-174	0	0	0	0	109.6	Y108 N109 P161 L234	Y108-V163 HydrophobicContact CD2-CG1 4.46Å; Y108-V163 PolarHBondContact N-O 2.89Å; N109-V163 HydrophobicContact CB-CG2 4.41Å; N109-V163 PolarHBondContact OD1-N 2.79Å; P161-V163 HydrophobicContact CB-CG2 4.02Å; P161-V163 HydrophobicContact CG-CG2 4.41Å; V163-L234 HydrophobicContact CG1-CB 4.44Å; V163-L234 HydrophobicContact CG1-CD1 4.22Å; V163-L234 HydrophobicContact CG1-CD2 4.48Å
164	L	93.5	Very high	93.3	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	144.4	177.6	-63.3	165.9	0	0	0	110.3	F48 H71 V106 L107 I162 L234 V235 I237	F48-L164 HydrophobicContact CE2-CD1 4.33Å; F48-L164 HydrophobicContact CZ-CD1 3.9Å; H71-L164 VanDerWaalsContact CE1-CD1 3.41Å; H71-L164 WeakPolarHBondContact CE1-CD1 3.47Å; V106-L164 WeakPolarHBondContact O-CA 3.28Å; L107-L164 HydrophobicContact CB-CD2 4.32Å; L107-L164 HydrophobicContact CD1-CD2 3.98Å; I162-L164 HydrophobicContact CG2-CD1 4.45Å; I162-L164 HydrophobicContact CG2-CG 4.23Å; L164-L234 CarbonylContact O-C 3.6Å; L164-L234 WeakPolarHBondContact O-CA 3.47Å; L164-V235 HydrophobicContact CB-CB 4.34Å; L164-V235 PolarHBondContact N-O 2.8Å; L164-V235 PolarHBondContact O-N 3.1Å; L164-I237 HydrophobicContact CD1-CD1 4.47Å
165	G	93.3	Very high	93.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.5	172.2	171.3	0	0	0	0	0	111.2	L105 V106	L105-G165 CarbonylContact C-O 3.3Å; L105-G165 VanDerWaalsContact CA-O 3.3Å; L105-G165 WeakPolarHBondContact CA-O 3.48Å; V106-G165 WeakPolarHBondContact CG2-O 3.35Å; V106-G165 PolarHBondContact N-O 2.91Å; V106-G165 PolarHBondContact O-N 2.95Å; V106-G165 VanDerWaalsContact O-N 3.15Å
166	S	92.6	Very high	94.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	134	179.7	174.6	0	0	0	0	111.9	D104 Y108 S168 H169	D104-S166 WeakPolarHBondContact O-CA 3.37Å; D104-S166 WeakPolarHBondContact OD1-CB 3.25Å; D104-S166 PolarHBondContact OD1-OG 2.8Å; D104-S166 PolarHBondContact OD2-OG 2.91Å; Y108-S166 PolarHBondContact OH-O 3.46Å; S166-S168 PolarHBondContact OG-N 2.84Å; S166-H169 WeakPolarHBondContact OG-CA 3.24Å; S166-H169 VanDerWaalsContact OG-CB 3.3Å; S166-H169 WeakPolarHBondContact OG-CB 3.4Å; S166-H169 PolarHBondContact OG-N 2.86Å; S166-H169 PolarHBondContact OG-ND1 3.42Å; S166-H169 PolarHBondContact OG-O 2.91Å
167	W	88.9	Confident	94.5	Very high	185 Å²	185	35.3 Å²	35.3	70%	0.701	16%	0.164	S	C	*	.	S	Bend	trans	-69.1	-38.5	175.5	175.6	-105	0	0	0	113.4	D104 V106	D104-W167 PolarHBondContact O-N 2.89Å; D104-W167 PolarHBondContact OD2-N 3.43Å; V106-W167 HydrophobicContact CG1-CB 3.87Å; V106-W167 HydrophobicContact CG2-CB 4.05Å; V106-W167 HydrophobicContact CG2-CE3 4.22Å
168	S	90.8	Very high	94.4	Very high	64 Å²	64	33.7 Å²	33.7	45%	0.448	16%	0.159	S	C	.	.	S	Bend	trans	-120.4	-18.9	-168.5	62.1	0	0	0	0	115	D104 S166	D104-S168 WeakPolarHBondContact OD2-CB 3.44Å; D104-S168 PolarHBondContact OD2-N 2.89Å; D104-S168 PolarHBondContact OD2-OG 2.86Å; S166-S168 PolarHBondContact OG-N 2.84Å
169	H	94.3	Very high	94.2	Very high	27 Å²	27	37 Å²	37	13%	0.125	18%	0.177	C	C	.	.			trans	-104.9	128.2	-173.8	-55.8	96	0	0	0	112.1	D104 S166 E173 L174 Y232	D104-H169 IonicContact OD1-CE1 3.52Å; D104-H169 IonicContact OD1-CG 3.71Å; D104-H169 IonicContact OD1-ND1 2.74Å; D104-H169 PolarHBondContact OD1-ND1 2.84Å; D104-H169 IonicContact OD2-CE1 2.66Å; D104-H169 IonicContact OD2-ND1 2.96Å; D104-H169 PolarHBondContact OD2-ND1 2.81Å; S166-H169 WeakPolarHBondContact OG-CA 3.24Å; S166-H169 VanDerWaalsContact OG-CB 3.3Å; S166-H169 WeakPolarHBondContact OG-CB 3.4Å; S166-H169 PolarHBondContact OG-N 2.86Å; S166-H169 PolarHBondContact OG-ND1 3.42Å; S166-H169 PolarHBondContact OG-O 2.91Å; H169-E173 WeakPolarHBondContact CA-OE2 3.38Å; H169-E173 HydrophobicContact CB-CB 4.05Å; H169-L174 HydrophobicContact CB-CB 3.69Å; H169-L174 HydrophobicContact CB-CD2 4.39Å; H169-Y232 VanDerWaalsContact O-CD1 3.23Å; H169-Y232 WeakPolarHBondContact O-CD1 3.43Å; H169-Y232 WeakPolarHBondContact O-CE1 3.3Å
170	S	96.2	Very high	93.6	Very high	4 Å²	4	36.7 Å²	36.7	3%	0.028	18%	0.178	C	C	.	.			trans	-77.4	171.4	171.1	65.3	0	0	0	0	111.6	K172 E173 L174	S170-K172 PolarHBondContact O-N 3.15Å; S170-K172 VanDerWaalsContact O-N 3.08Å; S170-E173 PolarHBondContact N-OE2 3.25Å; S170-E173 PolarHBondContact O-N 2.96Å; S170-E173 PolarHBondContact OG-OE2 2.88Å; S170-L174 PolarHBondContact O-N 2.95Å
171	L	96.2	Very high	92.7	Very high	5 Å²	5	42.2 Å²	42.2	3%	0.026	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.1	174.1	-178.4	59.6	0	0	0	112.5	E173 L174 D175 Y210 V222 P223 H228 S231	L171-E173 PolarHBondContact O-N 2.8Å; L171-L174 WeakPolarHBondContact CA-O 3.38Å; L171-D175 HydrophobicContact CD1-CB 3.96Å; L171-Y210 HydrophobicContact CD1-CD1 4.17Å; L171-Y210 HydrophobicContact CD1-CE1 3.71Å; L171-Y210 HydrophobicContact CD2-CD1 3.79Å; L171-Y210 HydrophobicContact CD2-CE1 3.89Å; L171-Y210 HydrophobicContact CG-CD1 4.5Å; L171-Y210 HydrophobicContact CG-CE1 4.42Å; L171-V222 HydrophobicContact CD2-CG1 4.46Å; L171-P223 HydrophobicContact CD2-CG 3.63Å; L171-H228 HydrophobicContact CB-CB 4.43Å; L171-H228 HydrophobicContact CG-CB 4.49Å; L171-H228 PolarHBondContact N-O 2.59Å; L171-S231 VanDerWaalsContact CB-O 3.27Å; L171-S231 WeakPolarHBondContact CB-O 3.45Å; L171-S231 PolarHBondContact N-O 3.41Å
172	K	95.6	Very high	91.9	Very high	58 Å²	58	47 Å²	47	25%	0.252	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-29.5	175.8	-176.8	62.5	-176.1	169	0	112.9	K41 S43 S170 H228 Y229	K41-K172 PolarHBondContact O-NZ 3.35Å; S43-K172 WeakPolarHBondContact CB-O 3.41Å; S170-K172 PolarHBondContact O-N 3.15Å; S170-K172 VanDerWaalsContact O-N 3.08Å; K172-H228 HydrophobicContact CB-CB 4.05Å; K172-H228 HydrophobicContact CD-CB 4.42Å; K172-H228 PolarHBondContact N-O 2.82Å; K172-Y229 HydrophobicContact CB-CD1 4.24Å; K172-Y229 HydrophobicContact CB-CE1 4.36Å; K172-Y229 HydrophobicContact CB-CG 4.41Å; K172-Y229 HydrophobicContact CD-CE2 4.04Å; K172-Y229 WeakPolarHBondContact CE-OH 3.36Å; K172-Y229 HydrophobicContact CG-CD1 4.07Å; K172-Y229 HydrophobicContact CG-CD2 4.42Å; K172-Y229 HydrophobicContact CG-CE1 3.69Å; K172-Y229 HydrophobicContact CG-CE2 4.06Å; K172-Y229 HydrophobicContact CG-CG 4.43Å
173	E	96.1	Very high	91	Very high	62 Å²	62	47.2 Å²	47.2	29%	0.29	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	-32.9	-171.2	-65.9	166.4	124.9	0	0	112.3	R35 S43 V44 H169 S170 L171	R35-E173 WeakPolarHBondContact CD-O 3.33Å; R35-E173 PolarHBondContact NH1-O 2.92Å; S43-E173 CarbonylContact C-O 3.51Å; S43-E173 WeakPolarHBondContact CA-O 3.36Å; V44-E173 PolarHBondContact N-O 3.44Å; H169-E173 WeakPolarHBondContact CA-OE2 3.38Å; H169-E173 HydrophobicContact CB-CB 4.05Å; S170-E173 PolarHBondContact N-OE2 3.25Å; S170-E173 PolarHBondContact O-N 2.96Å; S170-E173 PolarHBondContact OG-OE2 2.88Å; L171-E173 PolarHBondContact O-N 2.8Å
174	L	96.2	Very high	90.2	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	123.2	-178.5	-177.2	75.6	0	0	0	109.8	V44 V46 W101 P103 H169 S170 L171 I176 P233	V44-L174 HydrophobicContact CB-CD1 4.04Å; V44-L174 HydrophobicContact CG1-CD1 4.36Å; V44-L174 WeakPolarHBondContact O-CA 3.32Å; V46-L174 HydrophobicContact CG2-CD1 3.61Å; W101-L174 HydrophobicContact CH2-CD1 3.84Å; W101-L174 HydrophobicContact CZ2-CD1 4.45Å; P103-L174 HydrophobicContact CB-CD1 4.25Å; P103-L174 HydrophobicContact CB-CD2 4.18Å; H169-L174 HydrophobicContact CB-CB 3.69Å; H169-L174 HydrophobicContact CB-CD2 4.39Å; S170-L174 PolarHBondContact O-N 2.95Å; L171-L174 WeakPolarHBondContact CA-O 3.38Å; L174-I176 HydrophobicContact CD2-CD1 4.25Å; L174-I176 HydrophobicContact CD2-CG1 4.12Å; L174-I176 HydrophobicContact CG-CG1 4.26Å; L174-P233 WeakPolarHBondContact O-CG 3.41Å
175	D	95.9	Very high	89.2	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.08	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	113.5	173.8	-177	17.2	0	0	0	109.4	V44 I45 V46 L171 R177	V44-D175 PolarHBondContact O-N 2.92Å; I45-D175 WeakPolarHBondContact CA-O 3.48Å; V46-D175 PolarHBondContact N-O 2.87Å; L171-D175 HydrophobicContact CD1-CB 3.96Å; D175-R177 IonicContact OD2-CZ 3.33Å; D175-R177 IonicContact OD2-NE 3.57Å; D175-R177 PolarHBondContact OD2-NE 2.81Å; D175-R177 IonicContact OD2-NH2 3.22Å; D175-R177 PolarHBondContact OD2-NH2 3.21Å
176	I	95.8	Very high	88.3	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	124.6	178.1	-53.5	167.1	0	0	0	107.8	V46 F48 L105 L174 I208 P233 V235	V46-I176 WeakPolarHBondContact O-CA 3.32Å; F48-I176 HydrophobicContact CB-CG2 3.78Å; F48-I176 HydrophobicContact CG-CG2 4.4Å; L105-I176 HydrophobicContact CD2-CD1 3.42Å; L105-I176 VanDerWaalsContact CD2-CD1 3.42Å; L105-I176 HydrophobicContact CD2-CG1 4.43Å; L174-I176 HydrophobicContact CD2-CD1 4.25Å; L174-I176 HydrophobicContact CD2-CG1 4.12Å; L174-I176 HydrophobicContact CG-CG1 4.26Å; I176-I208 WeakPolarHBondContact O-CD1 3.22Å; I176-P233 HydrophobicContact CB-CB 4.35Å; I176-P233 HydrophobicContact CD1-CB 4.39Å; I176-P233 HydrophobicContact CD1-CG 4.11Å; I176-P233 HydrophobicContact CG1-CB 4.42Å; I176-P233 HydrophobicContact CG1-CG 4.15Å; I176-V235 HydrophobicContact CB-CG2 4.34Å; I176-V235 HydrophobicContact CD1-CG2 4.39Å; I176-V235 HydrophobicContact CG2-CG2 3.54Å
177	R	95.1	Very high	87	Confident	113 Å²	113	57.9 Å²	57.9	43%	0.426	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.6	179.9	-60.8	-175.3	-174.5	172.1	4.2	110.5	I45 V46 L47 F48 D175 L179	I45-R177 HydrophobicContact CG2-CG 4.28Å; V46-R177 PolarHBondContact O-N 3.32Å; L47-R177 CarbonylContact C-O 3.59Å; L47-R177 WeakPolarHBondContact CA-O 3.36Å; L47-R177 HydrophobicContact CD2-CB 3.98Å; F48-R177 PolarHBondContact N-O 2.86Å; D175-R177 IonicContact OD2-CZ 3.33Å; D175-R177 IonicContact OD2-NE 3.57Å; D175-R177 PolarHBondContact OD2-NE 2.81Å; D175-R177 IonicContact OD2-NH2 3.22Å; D175-R177 PolarHBondContact OD2-NH2 3.21Å; R177-L179 PolarHBondContact O-N 2.89Å
178	S	92.5	Very high	85.9	Confident	41 Å²	41	54.1 Å²	54.1	29%	0.287	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.6	178.9	166	0	0	0	0	108.8	F48 L180	F48-S178 WeakPolarHBondContact O-CA 3.06Å; S178-L180 PolarHBondContact OG-N 3.22Å; S178-L180 PolarHBondContact OG-O 2.77Å
179	L	89.2	Confident	84.5	Confident	73 Å²	73	57.7 Å²	57.7	38%	0.382	28%	0.284	S	S	.	.	S	Bend	trans	-73.8	-37.2	168.9	-171.8	70.5	0	0	0	110.6	L47 F48 Y49 Y72 R177	L47-L179 HydrophobicContact CB-CB 4.44Å; L47-L179 HydrophobicContact CB-CD1 4.27Å; L47-L179 HydrophobicContact CD1-CD1 3.93Å; F48-L179 PolarHBondContact O-N 2.85Å; Y49-L179 HydrophobicContact CD1-CB 4.13Å; Y49-L179 HydrophobicContact CD1-CD2 3.47Å; Y49-L179 VanDerWaalsContact CD1-CD2 3.47Å; Y49-L179 HydrophobicContact CD1-CG 4.36Å; Y49-L179 HydrophobicContact CE1-CD2 3.72Å; Y72-L179 HydrophobicContact CD1-CD2 4.41Å; Y72-L179 HydrophobicContact CE1-CD2 4.2Å; R177-L179 PolarHBondContact O-N 2.89Å
180	L	83.1	Confident	82.9	Confident	80 Å²	80	62.2 Å²	62.2	42%	0.419	31%	0.309	S	S	.	.			trans	-137.1	132.7	179.3	-63.6	174.9	0	0	0	110	S178 K182 I184	S178-L180 PolarHBondContact OG-N 3.22Å; S178-L180 PolarHBondContact OG-O 2.77Å; L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 3.03Å; L180-I184 HydrophobicContact CD1-CD1 4.46Å
181	T	75.3	Confident	81.3	Confident	116 Å²	116	70.9 Å²	70.9	71%	0.712	35%	0.349	S	S	*	.	S	Bend	trans	-70.3	-26.6	179.9	51.7	0	0	0	0	113.2	L206	T181-L206 PolarHBondContact O-N 3.48Å
182	K	79.3	Confident	79.6	Confident	121 Å²	121	77.2 Å²	77.2	53%	0.526	38%	0.383	S	S	.	.	S	Bend	trans	-110.9	118	175.8	-161.9	175.3	-175.8	160.5	0	110	L180 D203 V204	L180-K182 VanDerWaalsContact C-N 3.3Å; L180-K182 PolarHBondContact O-N 3.03Å; K182-D203 WeakPolarHBondContact CE-OD1 3.21Å; K182-D203 IonicContact NZ-OD1 3.88Å; K182-D203 PolarHBondContact NZ-OD1 3.26Å; K182-V204 WeakPolarHBondContact CE-O 3.43Å; K182-V204 WeakPolarHBondContact CG-O 3.35Å
183	P	77.1	Confident	78	Confident	6 Å²	6	79.7 Å²	79.7	4%	0.039	39%	0.394	C	S	.	.			trans	-56.1	145.5	166.9	-27.7	38.8	0	0	0	110.7	A50 L52 L185 V204 L206 I237	A50-P183 WeakPolarHBondContact O-CA 3.43Å; A50-P183 WeakPolarHBondContact O-CB 3.44Å; L52-P183 HydrophobicContact CD1-CB 3.99Å; P183-L185 PolarHBondContact O-N 3.39Å; P183-V204 HydrophobicContact CB-CG1 3.81Å; P183-V204 HydrophobicContact CG-CG1 3.85Å; P183-L206 HydrophobicContact CG-CB 3.65Å; P183-L206 HydrophobicContact CG-CD1 4.37Å; P183-I237 HydrophobicContact CG-CG2 4.17Å
184	I	76.7	Confident	76.9	Confident	83 Å²	83	79.1 Å²	79.1	43%	0.426	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	117	174.9	-56.8	173	0	0	0	106.7	A50 V51 L52 L180 N186	A50-I184 PolarHBondContact O-N 2.77Å; V51-I184 VanDerWaalsContact CA-O 3.27Å; V51-I184 WeakPolarHBondContact CA-O 3.44Å; V51-I184 HydrophobicContact CG1-CB 4.3Å; V51-I184 HydrophobicContact CG1-CG2 4.49Å; V51-I184 WeakPolarHBondContact CG1-O 3.48Å; V51-I184 HydrophobicContact CG2-CB 4.04Å; L52-I184 PolarHBondContact N-O 3.21Å; L180-I184 HydrophobicContact CD1-CD1 4.46Å; I184-N186 HydrophobicContact CG2-CB 4.29Å; I184-N186 PolarHBondContact O-N 3.11Å
185	L	72.8	Confident	75.9	Confident	66 Å²	66	82 Å²	82	35%	0.346	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	106.7	166.7	-177.1	66.1	0	0	0	107.2	L52 P183 L187 V201 V204	L52-L185 HydrophobicContact CB-CD1 3.95Å; P183-L185 PolarHBondContact O-N 3.39Å; L185-L187 HydrophobicContact CD1-CD1 4.43Å; L185-L187 HydrophobicContact CD1-CD2 3.76Å; L185-L187 HydrophobicContact CD1-CG 3.85Å; L185-L187 HydrophobicContact CD2-CD1 4.28Å; L185-L187 HydrophobicContact CD2-CG 4.42Å; L185-L187 HydrophobicContact CG-CD1 4.37Å; L185-L187 HydrophobicContact CG-CD2 4.44Å; L185-L187 HydrophobicContact CG-CG 3.98Å; L185-V201 HydrophobicContact CD2-CB 4.16Å; L185-V201 HydrophobicContact CD2-CG1 3.68Å; L185-V204 HydrophobicContact CD1-CG2 4.35Å
186	N	73.9	Confident	75.1	Confident	78 Å²	78	81.6 Å²	81.6	42%	0.417	41%	0.407	S	S	.	.			trans	-122.8	83.3	175.9	-175.4	19.5	0	0	0	108.4	V51 L52 E53 I184 L188	V51-N186 HydrophobicContact CG1-CB 4.07Å; L52-N186 CarbonylContact O-C 3.52Å; L52-N186 PolarHBondContact O-N 2.83Å; E53-N186 WeakPolarHBondContact CA-O 3.43Å; I184-N186 HydrophobicContact CG2-CB 4.29Å; I184-N186 PolarHBondContact O-N 3.11Å; N186-L188 PolarHBondContact O-N 3Å
187	L	65.7	Low	74.3	Confident	19 Å²	19	84.6 Å²	84.6	10%	0.099	43%	0.428	C	S	.	.			trans	-68	11.5	-175.6	-68.9	174.5	0	0	0	114.5	E53 L185 W189 V196	E53-L187 CarbonylContact O-C 3.59Å; E53-L187 WeakPolarHBondContact O-CA 3.28Å; L185-L187 HydrophobicContact CD1-CD1 4.43Å; L185-L187 HydrophobicContact CD1-CD2 3.76Å; L185-L187 HydrophobicContact CD1-CG 3.85Å; L185-L187 HydrophobicContact CD2-CD1 4.28Å; L185-L187 HydrophobicContact CD2-CG 4.42Å; L185-L187 HydrophobicContact CG-CD1 4.37Å; L185-L187 HydrophobicContact CG-CD2 4.44Å; L185-L187 HydrophobicContact CG-CG 3.98Å; L187-W189 PolarHBondContact O-N 3.42Å; L187-V196 HydrophobicContact CD1-CG2 3.93Å; L187-V196 HydrophobicContact CD2-CG2 4.2Å
188	L	65.5	Low	73.8	Confident	106 Å²	106	81 Å²	81	56%	0.555	43%	0.426	S	S	*	.	S	Bend	trans	51.7	11.2	179.3	-63.4	169.8	0	0	0	114.8	E53 N186	E53-L188 HydrophobicContact CB-CD1 4.07Å; E53-L188 HydrophobicContact CG-CD1 4.18Å; N186-L188 PolarHBondContact O-N 3Å
189	W	62.5	Low	73.8	Confident	139 Å²	139	79.3 Å²	79.3	53%	0.527	41%	0.413	S	S	.	.	S	Bend	trans	-128.5	167.6	178.6	-65.4	-39	0	0	0	109.4	H54 L187 K193	H54-W189 AromaticContact CE1-CH2 3.72Å; H54-W189 AromaticContact CE1-CZ3 3.85Å; H54-W189 AromaticContact ND1-CH2 3.66Å; H54-W189 AromaticContact ND1-CZ3 3.6Å; L187-W189 PolarHBondContact O-N 3.42Å; W189-K193 HydrophobicContact CE3-CD 4.42Å
190	D	60.9	Low	73.8	Confident	121 Å²	121	78.7 Å²	78.7	65%	0.647	41%	0.409	S	S	*	.			trans	-40.7	139.8	-177.3	-165.7	12.9	0	0	0	112.6	D192 K193	D190-D192 PolarHBondContact O-N 2.85Å; D190-K193 PolarHBondContact O-N 3.33Å
191	Q	61.3	Low	74.2	Confident	187 Å²	187	75.3 Å²	75.3	87%	0.874	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-19.3	-171.8	-67.4	-164.7	-25.5	0	0	112.9
192	D	62	Low	74.9	Confident	137 Å²	137	73.1 Å²	73.1	73%	0.733	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	-11.5	-178.1	-63.1	-22	0	0	0	114.3	D190 V194	D190-D192 PolarHBondContact O-N 2.85Å; D192-V194 PolarHBondContact O-N 2.74Å
193	K	61.9	Low	75.4	Confident	111 Å²	111	69.5 Å²	69.5	48%	0.483	36%	0.361	S	S	.	.			trans	-86.3	76.3	-179	-163.8	-175.9	176.9	-172.4	0	111.6	W189 D190 I195	W189-K193 HydrophobicContact CE3-CD 4.42Å; D190-K193 PolarHBondContact O-N 3.33Å; K193-I195 VanDerWaalsContact C-N 3.28Å; K193-I195 PolarHBondContact O-N 3Å
194	V	73.1	Confident	76	Confident	49 Å²	49	69.4 Å²	69.4	30%	0.297	36%	0.36	S	S	.	.			trans	-80.3	-9.2	177.8	-169.1	0	0	0	0	112.6	D192 E200 V201	D192-V194 PolarHBondContact O-N 2.74Å; V194-E200 HydrophobicContact CB-CG 4.25Å; V194-E200 HydrophobicContact CG1-CG 3.64Å; V194-E200 WeakPolarHBondContact O-CA 3.37Å; V194-V201 HydrophobicContact CG1-CB 4.32Å; V194-V201 WeakPolarHBondContact CG1-O 3.48Å; V194-V201 PolarHBondContact O-N 2.86Å
195	I	75.4	Confident	76.8	Confident	61 Å²	61	68.2 Å²	68.2	31%	0.313	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	116.8	-175.6	-54.9	159.7	0	0	0	111	K193 W199 Y244	K193-I195 VanDerWaalsContact C-N 3.28Å; K193-I195 PolarHBondContact O-N 3Å; I195-W199 CarbonylContact C-O 3.57Å; I195-W199 VanDerWaalsContact CA-O 3.28Å; I195-W199 WeakPolarHBondContact CA-O 3.34Å; I195-Y244 HydrophobicContact CD1-CD1 3.85Å; I195-Y244 HydrophobicContact CD1-CD2 3.71Å; I195-Y244 HydrophobicContact CD1-CE1 3.67Å; I195-Y244 HydrophobicContact CD1-CE2 3.55Å; I195-Y244 HydrophobicContact CD1-CG 3.85Å; I195-Y244 HydrophobicContact CG1-CD1 4.41Å; I195-Y244 HydrophobicContact CG1-CD2 4.1Å; I195-Y244 HydrophobicContact CG1-CE2 4.42Å; I195-Y244 HydrophobicContact CG1-CG 4.1Å; I195-Y244 HydrophobicContact CG2-CD1 4.01Å; I195-Y244 HydrophobicContact CG2-CG 4.12Å
196	V	77.3	Confident	77.8	Confident	7 Å²	7	65.7 Å²	65.7	4%	0.042	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	126.5	178.8	-167.3	0	0	0	0	109.7	I55 L187 G198 W199 V201	I55-V196 HydrophobicContact CB-CB 4.32Å; I55-V196 HydrophobicContact CB-CG1 3.76Å; I55-V196 WeakPolarHBondContact O-CG1 3.14Å; L187-V196 HydrophobicContact CD1-CG2 3.93Å; L187-V196 HydrophobicContact CD2-CG2 4.2Å; V196-G198 PolarHBondContact O-N 2.94Å; V196-G198 VanDerWaalsContact O-N 3.11Å; V196-W199 PolarHBondContact N-O 3.23Å; V196-W199 WeakPolarHBondContact O-CB 3.46Å; V196-W199 PolarHBondContact O-N 2.72Å; V196-V201 HydrophobicContact CG2-CG2 4.41Å
197	S	79.5	Confident	78.7	Confident	63 Å²	63	64.7 Å²	64.7	44%	0.441	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.3	32.8	178.4	-147.5	0	0	0	0	115.2
198	G	86	Confident	80.1	Confident	38 Å²	38	65.1 Å²	65.1	39%	0.392	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	8.2	-176.7	0	0	0	0	0	115	V196 Y244	V196-G198 PolarHBondContact O-N 2.94Å; V196-G198 VanDerWaalsContact O-N 3.11Å; G198-Y244 WeakPolarHBondContact O-CB 3.42Å; G198-Y244 PolarHBondContact O-N 2.96Å
199	W	90.5	Very high	81.6	Confident	4 Å²	4	60.6 Å²	60.6	2%	0.015	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	137.4	-179.1	-62.7	87.5	0	0	0	111.5	V58 E60 F148 D156 Q158 I195 V196 L241 K242 R243	V58-W199 HydrophobicContact CG1-CD2 4.46Å; V58-W199 HydrophobicContact CG1-CZ2 4.07Å; V58-W199 HydrophobicContact CG2-CG 4.27Å; E60-W199 HydrophobicContact CG-CZ2 4.19Å; E60-W199 WeakPolarHBondContact OE1-CZ2 3.42Å; F148-W199 HydrophobicContact CE1-CZ2 4.44Å; D156-W199 WeakPolarHBondContact OD2-CH2 3.42Å; Q158-W199 HydrophobicContact CB-CZ3 4.35Å; Q158-W199 HydrophobicContact CG-CE3 4.46Å; Q158-W199 HydrophobicContact CG-CH2 3.54Å; Q158-W199 HydrophobicContact CG-CZ3 3.47Å; Q158-W199 VanDerWaalsContact CG-CZ3 3.47Å; I195-W199 CarbonylContact C-O 3.57Å; I195-W199 VanDerWaalsContact CA-O 3.28Å; I195-W199 WeakPolarHBondContact CA-O 3.34Å; V196-W199 PolarHBondContact N-O 3.23Å; V196-W199 WeakPolarHBondContact O-CB 3.46Å; V196-W199 PolarHBondContact O-N 2.72Å; W199-L241 HydrophobicContact CB-CB 4.3Å; W199-L241 HydrophobicContact CB-CD2 4.32Å; W199-L241 HydrophobicContact CD2-CB 4.33Å; W199-L241 HydrophobicContact CE3-CB 3.81Å; W199-K242 CarbonylContact C-O 3.5Å; W199-K242 WeakPolarHBondContact CA-O 3.37Å; W199-K242 VanDerWaalsContact CE3-C 3.47Å; W199-R243 HydrophobicContact CE3-CB 4.09Å; W199-R243 HydrophobicContact CH2-CB 4.12Å; W199-R243 HydrophobicContact CZ3-CB 3.71Å
200	E	90.3	Very high	83.2	Confident	61 Å²	61	54.8 Å²	54.8	29%	0.285	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	123.8	168.6	-176.4	-175.9	-171.7	0	0	109.3	V194 L202 L241 K242	V194-E200 HydrophobicContact CB-CG 4.25Å; V194-E200 HydrophobicContact CG1-CG 3.64Å; V194-E200 WeakPolarHBondContact O-CA 3.37Å; E200-L202 HydrophobicContact CG-CD2 4.39Å; E200-L202 PolarHBondContact O-N 2.95Å; E200-L241 CarbonylContact O-C 3.51Å; E200-L241 WeakPolarHBondContact O-CA 3.46Å; E200-K242 HydrophobicContact CB-CB 4.37Å; E200-K242 PolarHBondContact N-O 2.83Å; E200-K242 PolarHBondContact O-N 3.27Å; E200-K242 IonicContact OE2-NZ 3.94Å
201	V	90.5	Very high	84.9	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.048	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	107.1	174.9	-172.4	0	0	0	0	109.9	I55 L185 V194 V196 V204 L241	I55-V201 HydrophobicContact CD1-CG2 3.61Å; L185-V201 HydrophobicContact CD2-CB 4.16Å; L185-V201 HydrophobicContact CD2-CG1 3.68Å; V194-V201 HydrophobicContact CG1-CB 4.32Å; V194-V201 WeakPolarHBondContact CG1-O 3.48Å; V194-V201 PolarHBondContact O-N 2.86Å; V196-V201 HydrophobicContact CG2-CG2 4.41Å; V201-V204 HydrophobicContact CG1-CG2 4.01Å; V201-L241 HydrophobicContact CB-CD2 4.37Å; V201-L241 HydrophobicContact CG2-CD2 3.84Å
202	L	90	Very high	86.5	Confident	70 Å²	70	43.7 Å²	43.7	37%	0.366	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-49.8	-178.7	-64.6	-177.1	0	0	0	112.2	I157 E200 R240 K242	I157-L202 HydrophobicContact CD1-CD1 4.18Å; I157-L202 HydrophobicContact CG1-CD1 4.38Å; I157-L202 HydrophobicContact CG2-CD1 4.08Å; E200-L202 HydrophobicContact CG-CD2 4.39Å; E200-L202 PolarHBondContact O-N 2.95Å; L202-R240 HydrophobicContact CB-CB 4.17Å; L202-R240 PolarHBondContact N-O 3.11Å; L202-K242 HydrophobicContact CD1-CB 3.88Å; L202-K242 HydrophobicContact CD2-CB 3.99Å; L202-K242 HydrophobicContact CD2-CD 4.14Å; L202-K242 HydrophobicContact CG-CB 3.84Å
203	D	90	Very high	88.1	Confident	46 Å²	46	40.3 Å²	40.3	25%	0.246	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	154.1	-177.1	-172.8	52.2	0	0	0	111.1	K182 H205 R240	K182-D203 WeakPolarHBondContact CE-OD1 3.21Å; K182-D203 IonicContact NZ-OD1 3.88Å; K182-D203 PolarHBondContact NZ-OD1 3.26Å; D203-H205 IonicContact OD2-ND1 2.8Å; D203-H205 PolarHBondContact OD2-ND1 3.3Å; D203-R240 PolarHBondContact O-N 3.38Å
204	V	91.2	Very high	89.6	Confident	3 Å²	3	40.4 Å²	40.4	2%	0.018	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.8	170.8	-174.4	0	0	0	0	107.4	L52 K182 P183 L185 V201 I237 W238 I239	L52-V204 HydrophobicContact CD1-CG1 4.07Å; L52-V204 HydrophobicContact CD2-CG1 3.96Å; L52-V204 HydrophobicContact CD2-CG2 4.2Å; K182-V204 WeakPolarHBondContact CE-O 3.43Å; K182-V204 WeakPolarHBondContact CG-O 3.35Å; P183-V204 HydrophobicContact CB-CG1 3.81Å; P183-V204 HydrophobicContact CG-CG1 3.85Å; L185-V204 HydrophobicContact CD1-CG2 4.35Å; V201-V204 HydrophobicContact CG1-CG2 4.01Å; V204-I237 HydrophobicContact CG1-CG2 3.86Å; V204-W238 WeakPolarHBondContact CA-O 3.2Å; V204-I239 HydrophobicContact CG1-CG1 4.42Å; V204-I239 HydrophobicContact CG2-CG2 4.37Å
205	H	92	Very high	90.6	Very high	58 Å²	58	42 Å²	42	27%	0.269	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.3	177.9	61.1	-90.2	0	0	0	111.3	D203 W238	D203-H205 IonicContact OD2-ND1 2.8Å; D203-H205 PolarHBondContact OD2-ND1 3.3Å; H205-W238 AromaticContact CD2-CD1 3.92Å; H205-W238 WeakPolarHBondContact CE1-CB 3.37Å; H205-W238 PolarHBondContact N-O 3.03Å; H205-W238 VanDerWaalsContact N-O 3.08Å; H205-W238 WeakPolarHBondContact NE2-CB 3.31Å; H205-W238 AromaticContact NE2-CD1 3.64Å; H205-W238 AromaticContact NE2-CG 3.5Å; H205-W238 PolarHBondContact O-N 2.76Å
206	L	93.9	Very high	91.4	Very high	14 Å²	14	44.8 Å²	44.8	7%	0.073	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	129.4	-179.9	-179.4	158.5	0	0	0	109	F48 T181 P183 I208 V235 N236 I237	F48-L206 HydrophobicContact CD1-CD1 3.85Å; F48-L206 HydrophobicContact CE1-CD1 3.79Å; T181-L206 PolarHBondContact O-N 3.48Å; P183-L206 HydrophobicContact CG-CB 3.65Å; P183-L206 HydrophobicContact CG-CD1 4.37Å; L206-I208 HydrophobicContact CD2-CG1 4.23Å; L206-V235 HydrophobicContact CD1-CG1 3.89Å; L206-V235 HydrophobicContact CD2-CG1 4.31Å; L206-V235 HydrophobicContact CG-CG1 3.96Å; L206-N236 WeakPolarHBondContact CA-O 3.47Å; L206-I237 HydrophobicContact CD1-CG1 4.2Å; L206-I237 HydrophobicContact CG-CG1 4.41Å
207	N	94	Very high	92.3	Very high	57 Å²	57	47.7 Å²	47.7	31%	0.305	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.4	169.5	66.8	33.1	0	0	0	110.4	N236 W238	N207-N236 PolarHBondContact N-O 2.95Å; N207-N236 PolarHBondContact O-N 3.44Å; N207-N236 VanDerWaalsContact OD1-CB 3.24Å; N207-N236 WeakPolarHBondContact OD1-CB 3.4Å; N207-N236 PolarHBondContact OD1-ND2 2.85Å; N207-W238 PolarHBondContact ND2-NE1 3.14Å
208	I	94.9	Very high	92.9	Very high	28 Å²	28	49.9 Å²	49.9	14%	0.144	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	126.8	174.2	-66.7	166.1	0	0	0	107.2	I176 L206 Y210 L234	I176-I208 WeakPolarHBondContact O-CD1 3.22Å; L206-I208 HydrophobicContact CD2-CG1 4.23Å; I208-Y210 HydrophobicContact CG2-CE1 4.35Å; I208-Y210 HydrophobicContact CG2-CE2 4.3Å; I208-L234 CarbonylContact C-O 3.49Å; I208-L234 VanDerWaalsContact CA-O 3.32Å; I208-L234 WeakPolarHBondContact CA-O 3.14Å
209	T	96.1	Very high	93.3	Very high	10 Å²	10	50.6 Å²	50.6	6%	0.061	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	159.7	174	60.4	0	0	0	0	109.7	Q218 M219 L234 N236	T209-Q218 PolarHBondContact OG1-OE1 3.11Å; T209-M219 CarbonylContact C-O 3.58Å; T209-M219 VanDerWaalsContact CA-O 3.3Å; T209-M219 WeakPolarHBondContact CA-O 3.4Å; T209-L234 PolarHBondContact N-O 2.76Å; T209-L234 PolarHBondContact O-N 2.89Å; T209-N236 WeakPolarHBondContact CG2-ND2 3.4Å; T209-N236 PolarHBondContact OG1-ND2 2.69Å
210	Y	96.7	Very high	93.4	Very high	17 Å²	17	55.2 Å²	55.2	7%	0.067	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	110.6	178.8	-58.8	-81.7	0	0	0	108.1	L171 I208 Q218 M219 T221 V222 P223 Y232 P233	L171-Y210 HydrophobicContact CD1-CD1 4.17Å; L171-Y210 HydrophobicContact CD1-CE1 3.71Å; L171-Y210 HydrophobicContact CD2-CD1 3.79Å; L171-Y210 HydrophobicContact CD2-CE1 3.89Å; L171-Y210 HydrophobicContact CG-CD1 4.5Å; L171-Y210 HydrophobicContact CG-CE1 4.42Å; I208-Y210 HydrophobicContact CG2-CE1 4.35Å; I208-Y210 HydrophobicContact CG2-CE2 4.3Å; Y210-Q218 WeakPolarHBondContact O-CA 3.02Å; Y210-M219 PolarHBondContact N-O 2.83Å; Y210-M219 PolarHBondContact O-N 2.84Å; Y210-T221 VanDerWaalsContact CD2-O 3.3Å; Y210-T221 WeakPolarHBondContact CD2-O 3.2Å; Y210-V222 HydrophobicContact CE2-CB 4.32Å; Y210-V222 HydrophobicContact CE2-CG2 3.9Å; Y210-P223 HydrophobicContact CG-CG 4.41Å; Y210-Y232 WeakPolarHBondContact CA-O 3.28Å; Y210-P233 HydrophobicContact CD1-CB 4.23Å; Y210-P233 HydrophobicContact CE1-CB 4.11Å
211	W	96.4	Very high	93.5	Very high	68 Å²	68	57.3 Å²	57.3	26%	0.258	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.3	177	177.2	69.1	0	0	0	110.2	V213 N216 T217 Q218 S231 Y232 L234	W211-V213 HydrophobicContact CE3-CG2 4.03Å; W211-V213 HydrophobicContact CH2-CB 4.31Å; W211-V213 HydrophobicContact CH2-CG1 4.3Å; W211-V213 HydrophobicContact CH2-CG2 3.91Å; W211-V213 HydrophobicContact CZ3-CB 4.38Å; W211-V213 HydrophobicContact CZ3-CG2 3.52Å; W211-N216 PolarHBondContact NE1-OD1 3.3Å; W211-T217 WeakPolarHBondContact CA-O 3.35Å; W211-Q218 HydrophobicContact CB-CG 4.28Å; W211-S231 CarbonylContact O-C 3.59Å; W211-S231 VanDerWaalsContact O-CA 3.28Å; W211-S231 WeakPolarHBondContact O-CA 3.36Å; W211-Y232 HydrophobicContact CE3-CD2 4.14Å; W211-Y232 HydrophobicContact CE3-CG 4.43Å; W211-Y232 HydrophobicContact CZ3-CD2 4.31Å; W211-Y232 PolarHBondContact N-O 3.09Å; W211-Y232 PolarHBondContact O-N 3.13Å; W211-L234 HydrophobicContact CB-CD1 3.67Å; W211-L234 HydrophobicContact CB-CG 4.13Å; W211-L234 HydrophobicContact CG-CD1 4.49Å
212	N	95.5	Very high	93.7	Very high	8 Å²	8	61.3 Å²	61.3	4%	0.043	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	116.4	179.6	-179	-58.3	0	0	0	110.1	L214 T215 N216 T217 M219 F230	N212-L214 VanDerWaalsContact C-N 3.3Å; N212-L214 PolarHBondContact O-N 2.04Å; N212-L214 WeakPolarHBondContact OD1-CB 3.03Å; N212-L214 PolarHBondContact OD1-N 2.85Å; N212-T215 WeakPolarHBondContact CB-OG1 3.04Å; N212-T215 PolarHBondContact O-N 3.04Å; N212-T215 PolarHBondContact OD1-N 2.84Å; N212-T215 VanDerWaalsContact OD1-N 3.11Å; N212-T215 PolarHBondContact OD1-OG1 2.78Å; N212-N216 VanDerWaalsContact O-CA 3.28Å; N212-N216 WeakPolarHBondContact O-CA 3.4Å; N212-N216 PolarHBondContact O-N 3.15Å; N212-T217 PolarHBondContact N-O 3.34Å; N212-M219 HydrophobicContact CB-CE 4.3Å; N212-F230 WeakPolarHBondContact CA-O 3.16Å
213	V	94.1	Very high	93.9	Very high	65 Å²	65	58.5 Å²	58.5	39%	0.394	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-37.4	-176.1	-177.7	0	0	0	0	112.4	W211 F230 Y232	W211-V213 HydrophobicContact CE3-CG2 4.03Å; W211-V213 HydrophobicContact CH2-CB 4.31Å; W211-V213 HydrophobicContact CH2-CG1 4.3Å; W211-V213 HydrophobicContact CH2-CG2 3.91Å; W211-V213 HydrophobicContact CZ3-CB 4.38Å; W211-V213 HydrophobicContact CZ3-CG2 3.52Å; V213-F230 WeakPolarHBondContact CG2-O 3.36Å; V213-F230 PolarHBondContact N-O 3.33Å; V213-Y232 HydrophobicContact CG2-CD2 3.68Å; V213-Y232 HydrophobicContact CG2-CE2 3.48Å; V213-Y232 VanDerWaalsContact CG2-CE2 3.48Å
214	L	94.4	Very high	94	Very high	113 Å²	113	59.5 Å²	59.5	59%	0.592	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-35	-173.8	-59.3	176.3	0	0	0	112.3	N212 F230	N212-L214 VanDerWaalsContact C-N 3.3Å; N212-L214 PolarHBondContact O-N 2.04Å; N212-L214 WeakPolarHBondContact OD1-CB 3.03Å; N212-L214 PolarHBondContact OD1-N 2.85Å; L214-F230 HydrophobicContact CD1-CB 4.12Å; L214-F230 HydrophobicContact CD1-CD1 4.1Å; L214-F230 HydrophobicContact CD1-CD2 3.89Å; L214-F230 HydrophobicContact CD1-CE2 4.32Å; L214-F230 HydrophobicContact CD1-CG 3.77Å; L214-F230 HydrophobicContact CD2-CD1 4.01Å; L214-F230 HydrophobicContact CD2-CE1 4.29Å; L214-F230 HydrophobicContact CD2-CG 4.47Å; L214-F230 HydrophobicContact CG-CB 4.08Å; L214-F230 HydrophobicContact CG-CD1 4.01Å; L214-F230 HydrophobicContact CG-CG 3.99Å
215	T	93.5	Very high	94.1	Very high	82 Å²	82	62.6 Å²	62.6	50%	0.503	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-13	-177.5	58.3	0	0	0	0	113.1	N212 T217	N212-T215 WeakPolarHBondContact CB-OG1 3.04Å; N212-T215 PolarHBondContact O-N 3.04Å; N212-T215 PolarHBondContact OD1-N 2.84Å; N212-T215 VanDerWaalsContact OD1-N 3.11Å; N212-T215 PolarHBondContact OD1-OG1 2.78Å; T215-T217 PolarHBondContact O-N 3.39Å; T215-T217 PolarHBondContact OG1-OG1 2.78Å
216	N	93.4	Very high	94.1	Very high	120 Å²	120	66.5 Å²	66.5	64%	0.642	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.2	38.5	-169.6	-165.8	32.3	0	0	0	112.8	W211 N212	W211-N216 PolarHBondContact NE1-OD1 3.3Å; N212-N216 VanDerWaalsContact O-CA 3.28Å; N212-N216 WeakPolarHBondContact O-CA 3.4Å; N212-N216 PolarHBondContact O-N 3.15Å
217	T	94.5	Very high	94.1	Very high	68 Å²	68	68.6 Å²	68.6	42%	0.417	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	152.8	179.1	63.6	0	0	0	0	111.1	W211 N212 T215	W211-T217 WeakPolarHBondContact CA-O 3.35Å; N212-T217 PolarHBondContact N-O 3.34Å; T215-T217 PolarHBondContact O-N 3.39Å; T215-T217 PolarHBondContact OG1-OG1 2.78Å
218	Q	93.2	Very high	94.2	Very high	109 Å²	109	67.8 Å²	67.8	51%	0.509	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	132.3	172.9	-63.5	-171.6	37.1	0	0	110	T209 Y210 W211	T209-Q218 PolarHBondContact OG1-OE1 3.11Å; Y210-Q218 WeakPolarHBondContact O-CA 3.02Å; W211-Q218 HydrophobicContact CB-CG 4.28Å
219	M	93.6	Very high	94.2	Very high	54 Å²	54	73.4 Å²	73.4	27%	0.266	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	136.9	175.1	-66.7	178.7	-71.6	0	0	110.2	T209 Y210 N212 T221 P223	T209-M219 CarbonylContact C-O 3.58Å; T209-M219 VanDerWaalsContact CA-O 3.3Å; T209-M219 WeakPolarHBondContact CA-O 3.4Å; Y210-M219 PolarHBondContact N-O 2.83Å; Y210-M219 PolarHBondContact O-N 2.84Å; N212-M219 HydrophobicContact CB-CE 4.3Å; M219-T221 VanDerWaalsContact C-N 3.32Å; M219-P223 HydrophobicContact CE-CB 3.8Å; M219-P223 HydrophobicContact CE-CG 4.48Å
220	S	93	Very high	94.1	Very high	101 Å²	101	77.4 Å²	77.4	71%	0.706	43%	0.425	S	S	*	.	S	Bend	trans	-81.1	-13.9	174.6	-52.4	0	0	0	0	113.2
221	T	93.6	Very high	94.1	Very high	104 Å²	104	76.6 Å²	76.6	64%	0.638	42%	0.422	S	S	*	.	S	Bend	trans	-105.5	150.2	178.9	53.1	0	0	0	0	110.8	Y210 M219	Y210-T221 VanDerWaalsContact CD2-O 3.3Å; Y210-T221 WeakPolarHBondContact CD2-O 3.2Å; M219-T221 VanDerWaalsContact C-N 3.32Å
222	V	93.2	Very high	94.2	Very high	92 Å²	92	75.9 Å²	75.9	56%	0.558	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-60.2	125.6	177.7	-175.3	0	0	0	0	109.1	L171 Y210	L171-V222 HydrophobicContact CD2-CG1 4.46Å; Y210-V222 HydrophobicContact CE2-CB 4.32Å; Y210-V222 HydrophobicContact CE2-CG2 3.9Å
223	P	94	Very high	94.2	Very high	11 Å²	11	75.5 Å²	75.5	7%	0.071	42%	0.417	C	S	.	.	P	Polyproline II helix	trans	-68.8	162.3	178.1	27.3	-33.4	0	0	0	111.8	L171 Y210 M219 L227 H228	L171-P223 HydrophobicContact CD2-CG 3.63Å; Y210-P223 HydrophobicContact CG-CG 4.41Å; M219-P223 HydrophobicContact CE-CB 3.8Å; M219-P223 HydrophobicContact CE-CG 4.48Å; P223-L227 HydrophobicContact CB-CB 4.07Å; P223-L227 HydrophobicContact CB-CD1 4.44Å; P223-H228 PolarHBondContact O-NE2 2.85Å
224	S	93.1	Very high	94.3	Very high	68 Å²	68	72.8 Å²	72.8	48%	0.476	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-58.6	152	173.1	56.4	0	0	0	0	111.5	D226 L227 H228	S224-D226 PolarHBondContact O-N 3.34Å; S224-D226 VanDerWaalsContact O-N 3.11Å; S224-L227 PolarHBondContact O-N 2.89Å; S224-H228 PolarHBondContact O-CD2 2.95Å
225	A	92.2	Very high	94.3	Very high	67 Å²	67	67.4 Å²	67.4	55%	0.554	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-54.4	-34.4	-175.8	0	0	0	0	0	113.6	L227 H228	A225-L227 PolarHBondContact O-N 2.82Å; A225-H228 WeakPolarHBondContact O-CB 3.29Å; A225-H228 PolarHBondContact O-N 3.18Å
226	D	92.8	Very high	94.4	Very high	141 Å²	141	63.7 Å²	63.7	75%	0.754	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-66.6	-24.1	179.2	-54.5	-38.4	0	0	0	113	S224	S224-D226 PolarHBondContact O-N 3.34Å; S224-D226 VanDerWaalsContact O-N 3.11Å
227	L	94.3	Very high	94.5	Very high	57 Å²	57	58 Å²	58	30%	0.298	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-92.5	-3.8	179.6	-68.9	174.8	0	0	0	113.3	P223 S224 A225 Y229 F230 S231	P223-L227 HydrophobicContact CB-CB 4.07Å; P223-L227 HydrophobicContact CB-CD1 4.44Å; S224-L227 PolarHBondContact O-N 2.89Å; A225-L227 PolarHBondContact O-N 2.82Å; L227-Y229 PolarHBondContact O-N 2.79Å; L227-F230 PolarHBondContact O-N 3.31Å; L227-S231 WeakPolarHBondContact O-CB 3.33Å; L227-S231 PolarHBondContact O-N 3.18Å; L227-S231 VanDerWaalsContact O-N 3.14Å; L227-S231 PolarHBondContact O-OG 2.9Å
228	H	95.1	Very high	94.5	Very high	41 Å²	41	57.9 Å²	57.9	19%	0.19	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-60.6	-31.3	-176.4	-72.9	-170	0	0	0	113	L171 K172 P223 S224 A225 F230	L171-H228 HydrophobicContact CB-CB 4.43Å; L171-H228 HydrophobicContact CG-CB 4.49Å; L171-H228 PolarHBondContact N-O 2.59Å; K172-H228 HydrophobicContact CB-CB 4.05Å; K172-H228 HydrophobicContact CD-CB 4.42Å; K172-H228 PolarHBondContact N-O 2.82Å; P223-H228 PolarHBondContact O-NE2 2.85Å; S224-H228 PolarHBondContact O-CD2 2.95Å; A225-H228 WeakPolarHBondContact O-CB 3.29Å; A225-H228 PolarHBondContact O-N 3.18Å; H228-F230 VanDerWaalsContact C-N 3.31Å; H228-F230 PolarHBondContact O-N 2.82Å
229	Y	94.8	Very high	94.6	Very high	146 Å²	146	52.7 Å²	52.7	57%	0.573	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-68.4	-27.4	176.3	-73.6	-83.6	0	0	0	113.7	K172 L227	K172-Y229 HydrophobicContact CB-CD1 4.24Å; K172-Y229 HydrophobicContact CB-CE1 4.36Å; K172-Y229 HydrophobicContact CB-CG 4.41Å; K172-Y229 HydrophobicContact CD-CE2 4.04Å; K172-Y229 WeakPolarHBondContact CE-OH 3.36Å; K172-Y229 HydrophobicContact CG-CD1 4.07Å; K172-Y229 HydrophobicContact CG-CD2 4.42Å; K172-Y229 HydrophobicContact CG-CE1 3.69Å; K172-Y229 HydrophobicContact CG-CE2 4.06Å; K172-Y229 HydrophobicContact CG-CG 4.43Å; L227-Y229 PolarHBondContact O-N 2.79Å
230	F	95.6	Very high	94.6	Very high	94 Å²	94	54 Å²	54	41%	0.412	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-107.3	5.9	-176.9	-57.6	-73.1	0	0	0	112.9	N212 V213 L214 L227 H228	N212-F230 WeakPolarHBondContact CA-O 3.16Å; V213-F230 WeakPolarHBondContact CG2-O 3.36Å; V213-F230 PolarHBondContact N-O 3.33Å; L214-F230 HydrophobicContact CD1-CB 4.12Å; L214-F230 HydrophobicContact CD1-CD1 4.1Å; L214-F230 HydrophobicContact CD1-CD2 3.89Å; L214-F230 HydrophobicContact CD1-CE2 4.32Å; L214-F230 HydrophobicContact CD1-CG 3.77Å; L214-F230 HydrophobicContact CD2-CD1 4.01Å; L214-F230 HydrophobicContact CD2-CE1 4.29Å; L214-F230 HydrophobicContact CD2-CG 4.47Å; L214-F230 HydrophobicContact CG-CB 4.08Å; L214-F230 HydrophobicContact CG-CD1 4.01Å; L214-F230 HydrophobicContact CG-CG 3.99Å; L227-F230 PolarHBondContact O-N 3.31Å; H228-F230 VanDerWaalsContact C-N 3.31Å; H228-F230 PolarHBondContact O-N 2.82Å
231	S	96.9	Very high	94.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.7	-177.1	-55.4	0	0	0	0	109.7	L171 W211 L227	L171-S231 VanDerWaalsContact CB-O 3.27Å; L171-S231 WeakPolarHBondContact CB-O 3.45Å; L171-S231 PolarHBondContact N-O 3.41Å; W211-S231 CarbonylContact O-C 3.59Å; W211-S231 VanDerWaalsContact O-CA 3.28Å; W211-S231 WeakPolarHBondContact O-CA 3.36Å; L227-S231 WeakPolarHBondContact O-CB 3.33Å; L227-S231 PolarHBondContact O-N 3.18Å; L227-S231 VanDerWaalsContact O-N 3.14Å; L227-S231 PolarHBondContact O-OG 2.9Å
232	Y	96.5	Very high	94.6	Very high	52 Å²	52	47.9 Å²	47.9	20%	0.204	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	128	178.5	-72.5	-103.5	0	0	0	109.3	H169 Y210 W211 V213 L234	H169-Y232 VanDerWaalsContact O-CD1 3.23Å; H169-Y232 WeakPolarHBondContact O-CD1 3.43Å; H169-Y232 WeakPolarHBondContact O-CE1 3.3Å; Y210-Y232 WeakPolarHBondContact CA-O 3.28Å; W211-Y232 HydrophobicContact CE3-CD2 4.14Å; W211-Y232 HydrophobicContact CE3-CG 4.43Å; W211-Y232 HydrophobicContact CZ3-CD2 4.31Å; W211-Y232 PolarHBondContact N-O 3.09Å; W211-Y232 PolarHBondContact O-N 3.13Å; V213-Y232 HydrophobicContact CG2-CD2 3.68Å; V213-Y232 HydrophobicContact CG2-CE2 3.48Å; V213-Y232 VanDerWaalsContact CG2-CE2 3.48Å; Y232-L234 PolarHBondContact O-N 3.27Å
233	P	96.4	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129	175.6	29.9	-33.4	0	0	0	110.4	L174 I176 Y210	L174-P233 WeakPolarHBondContact O-CG 3.41Å; I176-P233 HydrophobicContact CB-CB 4.35Å; I176-P233 HydrophobicContact CD1-CB 4.39Å; I176-P233 HydrophobicContact CD1-CG 4.11Å; I176-P233 HydrophobicContact CG1-CB 4.42Å; I176-P233 HydrophobicContact CG1-CG 4.15Å; Y210-P233 HydrophobicContact CD1-CB 4.23Å; Y210-P233 HydrophobicContact CE1-CB 4.11Å
234	L	96.3	Very high	94.3	Very high	8 Å²	8	49.8 Å²	49.8	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133.1	174.6	-59.5	-178	0	0	0	109.4	Y108 V163 L164 I208 T209 W211 Y232	Y108-L234 HydrophobicContact CD2-CD2 3.87Å; Y108-L234 HydrophobicContact CE2-CD2 3.65Å; V163-L234 HydrophobicContact CG1-CB 4.44Å; V163-L234 HydrophobicContact CG1-CD1 4.22Å; V163-L234 HydrophobicContact CG1-CD2 4.48Å; L164-L234 CarbonylContact O-C 3.6Å; L164-L234 WeakPolarHBondContact O-CA 3.47Å; I208-L234 CarbonylContact C-O 3.49Å; I208-L234 VanDerWaalsContact CA-O 3.32Å; I208-L234 WeakPolarHBondContact CA-O 3.14Å; T209-L234 PolarHBondContact N-O 2.76Å; T209-L234 PolarHBondContact O-N 2.89Å; W211-L234 HydrophobicContact CB-CD1 3.67Å; W211-L234 HydrophobicContact CB-CG 4.13Å; W211-L234 HydrophobicContact CG-CD1 4.49Å; Y232-L234 PolarHBondContact O-N 3.27Å
235	V	95	Very high	94	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	114.2	169.8	-177.5	0	0	0	0	107.6	F48 L164 I176 L206 I237	F48-V235 HydrophobicContact CD1-CG1 3.8Å; F48-V235 HydrophobicContact CD1-CG2 4.35Å; F48-V235 HydrophobicContact CE1-CG1 3.56Å; F48-V235 HydrophobicContact CG-CG2 4.47Å; F48-V235 HydrophobicContact CZ-CG1 4.22Å; L164-V235 HydrophobicContact CB-CB 4.34Å; L164-V235 PolarHBondContact N-O 2.8Å; L164-V235 PolarHBondContact O-N 3.1Å; I176-V235 HydrophobicContact CB-CG2 4.34Å; I176-V235 HydrophobicContact CD1-CG2 4.39Å; I176-V235 HydrophobicContact CG2-CG2 3.54Å; L206-V235 HydrophobicContact CD1-CG1 3.89Å; L206-V235 HydrophobicContact CD2-CG1 4.31Å; L206-V235 HydrophobicContact CG-CG1 3.96Å; V235-I237 HydrophobicContact CG1-CG1 4.34Å
236	N	95.6	Very high	93.6	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.4	174	-38.5	-89.3	0	0	0	109.4	I162 L206 N207 T209	I162-N236 WeakPolarHBondContact O-CA 3.43Å; L206-N236 WeakPolarHBondContact CA-O 3.47Å; N207-N236 PolarHBondContact N-O 2.95Å; N207-N236 PolarHBondContact O-N 3.44Å; N207-N236 VanDerWaalsContact OD1-CB 3.24Å; N207-N236 WeakPolarHBondContact OD1-CB 3.4Å; N207-N236 PolarHBondContact OD1-ND2 2.85Å; T209-N236 WeakPolarHBondContact CG2-ND2 3.4Å; T209-N236 PolarHBondContact OG1-ND2 2.69Å
237	I	95.1	Very high	93.1	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	108	172.3	-57.6	162.6	0	0	0	106.9	F48 A50 L52 P161 I162 L164 P183 V204 L206 V235	F48-I237 HydrophobicContact CE1-CD1 4.34Å; F48-I237 HydrophobicContact CZ-CD1 4.45Å; A50-I237 HydrophobicContact CB-CD1 3.59Å; L52-I237 HydrophobicContact CD1-CG2 4.23Å; P161-I237 CarbonylContact C-O 3.59Å; P161-I237 WeakPolarHBondContact CA-O 3.48Å; I162-I237 HydrophobicContact CB-CB 4.2Å; I162-I237 PolarHBondContact N-O 3.49Å; I162-I237 PolarHBondContact O-N 2.8Å; L164-I237 HydrophobicContact CD1-CD1 4.47Å; P183-I237 HydrophobicContact CG-CG2 4.17Å; V204-I237 HydrophobicContact CG1-CG2 3.86Å; L206-I237 HydrophobicContact CD1-CG1 4.2Å; L206-I237 HydrophobicContact CG-CG1 4.41Å; V235-I237 HydrophobicContact CG1-CG1 4.34Å
238	W	95.1	Very high	92.5	Very high	66 Å²	66	45.9 Å²	45.9	25%	0.25	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.6	-179.3	-69.9	90.8	0	0	0	110	E159 P161 V204 H205 N207	E159-W238 HydrophobicContact CB-CE3 4.16Å; E159-W238 HydrophobicContact CB-CZ3 4.32Å; P161-W238 HydrophobicContact CB-CD2 3.98Å; P161-W238 HydrophobicContact CB-CE3 3.84Å; P161-W238 HydrophobicContact CB-CH2 3.87Å; P161-W238 HydrophobicContact CB-CZ2 3.99Å; P161-W238 HydrophobicContact CB-CZ3 3.79Å; P161-W238 HydrophobicContact CG-CE3 4.29Å; P161-W238 HydrophobicContact CG-CH2 3.9Å; P161-W238 HydrophobicContact CG-CZ2 4.46Å; P161-W238 HydrophobicContact CG-CZ3 3.8Å; V204-W238 WeakPolarHBondContact CA-O 3.2Å; H205-W238 AromaticContact CD2-CD1 3.92Å; H205-W238 WeakPolarHBondContact CE1-CB 3.37Å; H205-W238 PolarHBondContact N-O 3.03Å; H205-W238 VanDerWaalsContact N-O 3.08Å; H205-W238 WeakPolarHBondContact NE2-CB 3.31Å; H205-W238 AromaticContact NE2-CD1 3.64Å; H205-W238 AromaticContact NE2-CG 3.5Å; H205-W238 PolarHBondContact O-N 2.76Å; N207-W238 PolarHBondContact ND2-NE1 3.14Å
239	I	94.5	Very high	91.8	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.3	177	-52.2	-179.9	0	0	0	107.8	L52 I55 M65 V67 C160 I162 V204 L241	L52-I239 HydrophobicContact CD2-CD1 3.36Å; L52-I239 HydrophobicContact CD2-CG1 3.84Å; I55-I239 HydrophobicContact CD1-CG2 4.31Å; M65-I239 HydrophobicContact CE-CD1 3.69Å; M65-I239 HydrophobicContact CE-CG1 4.44Å; M65-I239 HydrophobicContact SD-CD1 4.15Å; V67-I239 HydrophobicContact CG1-CD1 4.3Å; V67-I239 HydrophobicContact CG2-CD1 3.85Å; C160-I239 PolarHBondContact N-O 2.95Å; C160-I239 PolarHBondContact O-N 3.32Å; I162-I239 HydrophobicContact CD1-CD1 4.09Å; V204-I239 HydrophobicContact CG1-CG1 4.42Å; V204-I239 HydrophobicContact CG2-CG2 4.37Å; I239-L241 HydrophobicContact CG2-CD1 4.46Å; I239-L241 HydrophobicContact CG2-CD2 3.76Å; I239-L241 HydrophobicContact CG2-CG 3.93Å
240	R	93.8	Very high	91.3	Very high	82 Å²	82	47 Å²	47	31%	0.309	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.4	175.7	-61.7	-164.5	70.8	-159.7	-5.8	109.8	Q158 E159 L202 D203	Q158-R240 WeakPolarHBondContact O-CA 3.41Å; E159-R240 HydrophobicContact CG-CG 4.19Å; E159-R240 WeakPolarHBondContact OE1-CD 3.43Å; E159-R240 IonicContact OE1-CZ 2.76Å; E159-R240 IonicContact OE1-NE 2.81Å; E159-R240 PolarHBondContact OE1-NE 2.97Å; E159-R240 IonicContact OE1-NH2 3.49Å; L202-R240 HydrophobicContact CB-CB 4.17Å; L202-R240 PolarHBondContact N-O 3.11Å; D203-R240 PolarHBondContact O-N 3.38Å
241	L	93.8	Very high	90.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.6	-176.9	-61.4	174.3	0	0	0	110	I55 V58 M65 I157 Q158 W199 E200 V201 I239	I55-L241 HydrophobicContact CD1-CD2 3.7Å; V58-L241 HydrophobicContact CG2-CD1 3.98Å; M65-L241 HydrophobicContact SD-CD1 3.91Å; I157-L241 CarbonylContact C-O 3.57Å; I157-L241 VanDerWaalsContact CA-O 3.29Å; I157-L241 WeakPolarHBondContact CA-O 3.43Å; Q158-L241 HydrophobicContact CB-CB 4.48Å; Q158-L241 PolarHBondContact N-O 2.77Å; Q158-L241 PolarHBondContact O-N 3Å; W199-L241 HydrophobicContact CB-CB 4.3Å; W199-L241 HydrophobicContact CB-CD2 4.32Å; W199-L241 HydrophobicContact CD2-CB 4.33Å; W199-L241 HydrophobicContact CE3-CB 3.81Å; E200-L241 CarbonylContact O-C 3.51Å; E200-L241 WeakPolarHBondContact O-CA 3.46Å; V201-L241 HydrophobicContact CB-CD2 4.37Å; V201-L241 HydrophobicContact CG2-CD2 3.84Å; I239-L241 HydrophobicContact CG2-CD1 4.46Å; I239-L241 HydrophobicContact CG2-CD2 3.76Å; I239-L241 HydrophobicContact CG2-CG 3.93Å
242	K	92.9	Very high	90	Very high	75 Å²	75	44.8 Å²	44.8	33%	0.326	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	133.2	172.7	178.3	-177.1	170.2	-159.9	0	109.8	I157 W199 E200 L202 Y244	I157-K242 HydrophobicContact CG1-CB 4.38Å; I157-K242 HydrophobicContact CG1-CG 4.33Å; W199-K242 CarbonylContact C-O 3.5Å; W199-K242 WeakPolarHBondContact CA-O 3.37Å; W199-K242 VanDerWaalsContact CE3-C 3.47Å; E200-K242 HydrophobicContact CB-CB 4.37Å; E200-K242 PolarHBondContact N-O 2.83Å; E200-K242 PolarHBondContact O-N 3.27Å; E200-K242 IonicContact OE2-NZ 3.94Å; L202-K242 HydrophobicContact CD1-CB 3.88Å; L202-K242 HydrophobicContact CD2-CB 3.99Å; L202-K242 HydrophobicContact CD2-CD 4.14Å; L202-K242 HydrophobicContact CG-CB 3.84Å; K242-Y244 PolarHBondContact O-N 3.29Å
243	R	91.4	Very high	89.3	Confident	29 Å²	29	46 Å²	46	11%	0.109	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	129.2	179.6	-175.6	178.4	-58.8	-89.8	1.1	111.1	E60 P154 D156 W199	E60-R243 VanDerWaalsContact CD-NH1 3.27Å; E60-R243 IonicContact OE1-CZ 3.36Å; E60-R243 IonicContact OE1-NH1 2.69Å; E60-R243 PolarHBondContact OE1-NH1 3.12Å; E60-R243 IonicContact OE1-NH2 2.74Å; E60-R243 PolarHBondContact OE1-NH2 3.48Å; E60-R243 IonicContact OE2-CZ 3.39Å; E60-R243 IonicContact OE2-NH1 3.81Å; E60-R243 PolarHBondContact OE2-NH1 2.68Å; E60-R243 VanDerWaalsContact OE2-NH1 3.12Å; E60-R243 IonicContact OE2-NH2 3.61Å; E60-R243 PolarHBondContact OE2-NH2 2.93Å; P154-R243 WeakPolarHBondContact O-CB 3.35Å; P154-R243 WeakPolarHBondContact O-CD 3.46Å; D156-R243 PolarHBondContact O-N 3.06Å; D156-R243 VanDerWaalsContact O-N 3.15Å; D156-R243 WeakPolarHBondContact OD1-CD 3.3Å; D156-R243 IonicContact OD1-CZ 3.27Å; D156-R243 IonicContact OD1-NE 3.12Å; D156-R243 PolarHBondContact OD1-NE 2.94Å; D156-R243 IonicContact OD1-NH2 2.68Å; D156-R243 IonicContact OD2-CZ 3.36Å; D156-R243 IonicContact OD2-NE 3.37Å; D156-R243 PolarHBondContact OD2-NE 2.79Å; D156-R243 IonicContact OD2-NH2 2.77Å; D156-R243 PolarHBondContact OD2-NH2 3Å; D156-R243 VanDerWaalsContact OD2-NH2 3.1Å; W199-R243 HydrophobicContact CE3-CB 4.09Å; W199-R243 HydrophobicContact CH2-CB 4.12Å; W199-R243 HydrophobicContact CZ3-CB 3.71Å
244	Y	89.5	Confident	88.8	Confident	115 Å²	115	49.7 Å²	49.7	45%	0.451	25%	0.248	S	C	.	.			trans	-98.5	92.4	174.8	-173.7	-103.2	0	0	0	110.4	I195 G198 K242 P246	I195-Y244 HydrophobicContact CD1-CD1 3.85Å; I195-Y244 HydrophobicContact CD1-CD2 3.71Å; I195-Y244 HydrophobicContact CD1-CE1 3.67Å; I195-Y244 HydrophobicContact CD1-CE2 3.55Å; I195-Y244 HydrophobicContact CD1-CG 3.85Å; I195-Y244 HydrophobicContact CG1-CD1 4.41Å; I195-Y244 HydrophobicContact CG1-CD2 4.1Å; I195-Y244 HydrophobicContact CG1-CE2 4.42Å; I195-Y244 HydrophobicContact CG1-CG 4.1Å; I195-Y244 HydrophobicContact CG2-CD1 4.01Å; I195-Y244 HydrophobicContact CG2-CG 4.12Å; G198-Y244 WeakPolarHBondContact O-CB 3.42Å; G198-Y244 PolarHBondContact O-N 2.96Å; K242-Y244 PolarHBondContact O-N 3.29Å; Y244-P246 HydrophobicContact CD1-CG 4.16Å; Y244-P246 HydrophobicContact CE1-CG 3.56Å; Y244-P246 WeakPolarHBondContact O-CD 3.36Å
245	S	87.1	Confident	88.5	Confident	38 Å²	38	50.9 Å²	50.9	27%	0.266	26%	0.256	S	S	.	.			trans	-125.5	69	-178.7	-162.4	0	0	0	0	113.1	L247 F248	S245-L247 VanDerWaalsContact C-N 3.31Å; S245-L247 PolarHBondContact O-N 3.46Å; S245-F248 PolarHBondContact O-N 3.46Å; S245-F248 WeakPolarHBondContact OG-CB 3.43Å
246	P	82.4	Confident	88	Confident	69 Å²	69	52 Å²	52	45%	0.448	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-30.6	179.9	28.7	-36.3	0	0	0	112.7	Y244 F248	Y244-P246 HydrophobicContact CD1-CG 4.16Å; Y244-P246 HydrophobicContact CE1-CG 3.56Å; Y244-P246 WeakPolarHBondContact O-CD 3.36Å; P246-F248 VanDerWaalsContact C-N 3.3Å; P246-F248 PolarHBondContact O-N 3.45Å
247	L	83.1	Confident	87.6	Confident	127 Å²	127	55.1 Å²	55.1	67%	0.665	28%	0.282	S	S	*	.	H	α-helix	trans	-76.8	-16.6	-177.9	-66.5	177.7	0	0	0	113.1	S245 F249 I250 G251	S245-L247 VanDerWaalsContact C-N 3.31Å; S245-L247 PolarHBondContact O-N 3.46Å; L247-F249 VanDerWaalsContact C-N 3.26Å; L247-F249 PolarHBondContact O-N 2.77Å; L247-I250 HydrophobicContact CD2-CD1 4.38Å; L247-I250 PolarHBondContact O-N 3.21Å; L247-G251 PolarHBondContact O-N 3.16Å
248	F	82.8	Confident	87.3	Confident	16 Å²	16	58.4 Å²	58.4	7%	0.07	30%	0.302	C	S	.	.	H	α-helix	trans	-58.1	-39.9	177.9	179.9	-89.9	0	0	0	112.4	Y153 P154 S245 P246 I250 G251 V252 L293 I307	Y153-F248 HydrophobicContact CE1-CD2 4.43Å; Y153-F248 AromaticContact CE1-CE2 3.99Å; Y153-F248 HydrophobicContact CE1-CE2 3.99Å; P154-F248 HydrophobicContact CB-CD2 4.12Å; P154-F248 HydrophobicContact CB-CE2 4.41Å; P154-F248 HydrophobicContact CB-CG 4.21Å; P154-F248 HydrophobicContact CG-CB 4.28Å; P154-F248 HydrophobicContact CG-CD1 3.53Å; P154-F248 HydrophobicContact CG-CD2 3.87Å; P154-F248 HydrophobicContact CG-CE1 3.7Å; P154-F248 HydrophobicContact CG-CE2 4.03Å; P154-F248 HydrophobicContact CG-CG 3.62Å; P154-F248 HydrophobicContact CG-CZ 3.95Å; S245-F248 PolarHBondContact O-N 3.46Å; S245-F248 WeakPolarHBondContact OG-CB 3.43Å; P246-F248 VanDerWaalsContact C-N 3.3Å; P246-F248 PolarHBondContact O-N 3.45Å; F248-I250 VanDerWaalsContact C-N 3.3Å; F248-I250 PolarHBondContact O-N 3.09Å; F248-G251 PolarHBondContact O-N 3.03Å; F248-V252 HydrophobicContact CD2-CB 4.3Å; F248-V252 HydrophobicContact CD2-CG2 3.8Å; F248-V252 HydrophobicContact CE1-CB 4.29Å; F248-V252 HydrophobicContact CE1-CG1 4.49Å; F248-V252 HydrophobicContact CE2-CB 4.01Å; F248-V252 HydrophobicContact CE2-CG1 4.19Å; F248-V252 HydrophobicContact CE2-CG2 3.7Å; F248-V252 HydrophobicContact CG-CG2 4.4Å; F248-V252 HydrophobicContact CZ-CB 4Å; F248-V252 HydrophobicContact CZ-CG1 3.93Å; F248-V252 HydrophobicContact CZ-CG2 4.21Å; F248-V252 WeakPolarHBondContact O-CB 3.38Å; F248-V252 PolarHBondContact O-N 3.12Å; F248-L293 HydrophobicContact CE2-CD1 3.83Å; F248-I307 HydrophobicContact CE1-CD1 4.37Å; F248-I307 HydrophobicContact CZ-CD1 3.86Å; F248-I307 HydrophobicContact CZ-CG1 3.89Å
249	F	79.5	Confident	87	Confident	107 Å²	107	55.4 Å²	55.4	47%	0.469	29%	0.291	S	S	.	.	I	π-helix	trans	-59.8	-42.8	176.6	-174.8	-87.5	0	0	0	111.6	L247 L253 I254	L247-F249 VanDerWaalsContact C-N 3.26Å; L247-F249 PolarHBondContact O-N 2.77Å; F249-L253 HydrophobicContact CD2-CB 4.44Å; F249-L253 HydrophobicContact CD2-CD2 3.53Å; F249-L253 HydrophobicContact CE2-CD2 3.2Å; F249-L253 HydrophobicContact CE2-CG 4.5Å; F249-L253 HydrophobicContact CG-CD2 4.39Å; F249-L253 HydrophobicContact CZ-CD2 3.81Å; F249-L253 WeakPolarHBondContact O-CB 3.41Å; F249-L253 PolarHBondContact O-N 3.01Å; F249-I254 HydrophobicContact CD1-CD1 4.22Å; F249-I254 HydrophobicContact CD1-CG1 4.28Å; F249-I254 HydrophobicContact CE1-CD1 4.08Å; F249-I254 HydrophobicContact CE1-CG1 4.05Å; F249-I254 PolarHBondContact O-N 3.28Å; F249-I254 VanDerWaalsContact O-N 3.17Å
250	I	84.4	Confident	86.5	Confident	104 Å²	104	57.9 Å²	57.9	53%	0.533	31%	0.309	S	S	.	.	I	π-helix	trans	-76.4	-40.1	-177.5	-60.1	174.6	0	0	0	111.3	L247 F248 I254 P255	L247-I250 HydrophobicContact CD2-CD1 4.38Å; L247-I250 PolarHBondContact O-N 3.21Å; F248-I250 VanDerWaalsContact C-N 3.3Å; F248-I250 PolarHBondContact O-N 3.09Å; I250-I254 HydrophobicContact CG1-CD1 4.45Å; I250-P255 VanDerWaalsContact O-CD 3.26Å; I250-P255 WeakPolarHBondContact O-CD 3.39Å
251	G	81.4	Confident	86.2	Confident	36 Å²	36	58.4 Å²	58.4	37%	0.371	32%	0.317	S	S	.	.	I	π-helix	trans	-80	-33.4	-175.7	0	0	0	0	0	114.1	L247 F248 P255	L247-G251 PolarHBondContact O-N 3.16Å; F248-G251 PolarHBondContact O-N 3.03Å; G251-P255 WeakPolarHBondContact O-CD 3.26Å; G251-P255 VanDerWaalsContact O-CG 3.3Å; G251-P255 WeakPolarHBondContact O-CG 3.34Å
252	V	83.6	Confident	85.9	Confident	12 Å²	12	60.5 Å²	60.5	7%	0.073	33%	0.328	C	S	.	.	I	π-helix	trans	-111.8	-51.4	-171.8	-176.5	0	0	0	0	111.5	F248 T256 L293	F248-V252 HydrophobicContact CD2-CB 4.3Å; F248-V252 HydrophobicContact CD2-CG2 3.8Å; F248-V252 HydrophobicContact CE1-CB 4.29Å; F248-V252 HydrophobicContact CE1-CG1 4.49Å; F248-V252 HydrophobicContact CE2-CB 4.01Å; F248-V252 HydrophobicContact CE2-CG1 4.19Å; F248-V252 HydrophobicContact CE2-CG2 3.7Å; F248-V252 HydrophobicContact CG-CG2 4.4Å; F248-V252 HydrophobicContact CZ-CB 4Å; F248-V252 HydrophobicContact CZ-CG1 3.93Å; F248-V252 HydrophobicContact CZ-CG2 4.21Å; F248-V252 WeakPolarHBondContact O-CB 3.38Å; F248-V252 PolarHBondContact O-N 3.12Å; V252-T256 VanDerWaalsContact O-CB 3.27Å; V252-T256 WeakPolarHBondContact O-CB 3.49Å; V252-T256 PolarHBondContact O-N 2.9Å; V252-T256 PolarHBondContact O-OG1 3.39Å; V252-L293 HydrophobicContact CG1-CD1 4.26Å; V252-L293 HydrophobicContact CG2-CD1 3.95Å
253	L	81.9	Confident	85.5	Confident	76 Å²	76	57.8 Å²	57.8	40%	0.398	32%	0.318	S	S	.	.	I	π-helix	trans	-71.1	-49.9	-173.6	-173.1	70.3	0	0	0	112.2	F249 T256 V257	F249-L253 HydrophobicContact CD2-CB 4.44Å; F249-L253 HydrophobicContact CD2-CD2 3.53Å; F249-L253 HydrophobicContact CE2-CD2 3.2Å; F249-L253 HydrophobicContact CE2-CG 4.5Å; F249-L253 HydrophobicContact CG-CD2 4.39Å; F249-L253 HydrophobicContact CZ-CD2 3.81Å; F249-L253 WeakPolarHBondContact O-CB 3.41Å; F249-L253 PolarHBondContact O-N 3.01Å; L253-T256 WeakPolarHBondContact O-CB 3.35Å; L253-T256 PolarHBondContact O-N 3.17Å; L253-V257 WeakPolarHBondContact O-CG2 3.38Å; L253-V257 PolarHBondContact O-N 2.83Å
254	I	86.9	Confident	85.2	Confident	78 Å²	78	61 Å²	61	40%	0.4	34%	0.337	S	S	.	.	H	α-helix	trans	-59.4	-50	-178.1	-66	178.1	0	0	0	111.6	F249 I250 T256 V257 V258	F249-I254 HydrophobicContact CD1-CD1 4.22Å; F249-I254 HydrophobicContact CD1-CG1 4.28Å; F249-I254 HydrophobicContact CE1-CD1 4.08Å; F249-I254 HydrophobicContact CE1-CG1 4.05Å; F249-I254 PolarHBondContact O-N 3.28Å; F249-I254 VanDerWaalsContact O-N 3.17Å; I250-I254 HydrophobicContact CG1-CD1 4.45Å; I254-T256 VanDerWaalsContact C-N 3.29Å; I254-T256 PolarHBondContact O-N 3.48Å; I254-V257 PolarHBondContact O-N 3.07Å; I254-V257 VanDerWaalsContact O-N 3.13Å; I254-V258 HydrophobicContact CG2-CG2 4.27Å; I254-V258 WeakPolarHBondContact O-CG2 3.44Å; I254-V258 PolarHBondContact O-N 3.02Å
255	P	88.8	Confident	84.9	Confident	33 Å²	33	59.1 Å²	59.1	21%	0.214	34%	0.339	C	S	.	.	H	α-helix	trans	-65.4	-32	179.4	-27.1	40.2	0	0	0	112.9	I250 G251 V258 T259 L289	I250-P255 VanDerWaalsContact O-CD 3.26Å; I250-P255 WeakPolarHBondContact O-CD 3.39Å; G251-P255 WeakPolarHBondContact O-CD 3.26Å; G251-P255 VanDerWaalsContact O-CG 3.3Å; G251-P255 WeakPolarHBondContact O-CG 3.34Å; P255-V258 PolarHBondContact O-N 3.4Å; P255-T259 WeakPolarHBondContact O-CB 3.48Å; P255-T259 VanDerWaalsContact O-CG2 3.31Å; P255-T259 WeakPolarHBondContact O-CG2 3.39Å; P255-T259 PolarHBondContact O-N 3.32Å; P255-T259 PolarHBondContact O-OG1 3Å; P255-L289 HydrophobicContact CB-CD1 3.63Å; P255-L289 HydrophobicContact CB-CD2 3.93Å; P255-L289 HydrophobicContact CB-CG 4.46Å; P255-L289 HydrophobicContact CG-CD2 4.48Å
256	T	84.7	Confident	84.7	Confident	25 Å²	25	57.5 Å²	57.5	15%	0.153	33%	0.328	C	S	.	.	H	α-helix	trans	-64.1	-41.7	173.2	-59.2	0	0	0	0	111.4	V252 L253 I254 T259 S260 I314	V252-T256 VanDerWaalsContact O-CB 3.27Å; V252-T256 WeakPolarHBondContact O-CB 3.49Å; V252-T256 PolarHBondContact O-N 2.9Å; V252-T256 PolarHBondContact O-OG1 3.39Å; L253-T256 WeakPolarHBondContact O-CB 3.35Å; L253-T256 PolarHBondContact O-N 3.17Å; I254-T256 VanDerWaalsContact C-N 3.29Å; I254-T256 PolarHBondContact O-N 3.48Å; T256-T259 PolarHBondContact O-OG1 3Å; T256-S260 WeakPolarHBondContact O-CB 3.41Å; T256-S260 PolarHBondContact O-N 2.94Å; T256-S260 VanDerWaalsContact O-N 3.1Å; T256-I314 HydrophobicContact CG2-CD1 3.58Å; T256-I314 HydrophobicContact CG2-CG2 4.24Å
257	V	86.4	Confident	84.6	Confident	70 Å²	70	59 Å²	59	42%	0.424	33%	0.327	S	S	.	.	H	α-helix	trans	-65.6	-45.9	173.7	174.2	0	0	0	0	110.7	L253 I254 T259 S260 L261	L253-V257 WeakPolarHBondContact O-CG2 3.38Å; L253-V257 PolarHBondContact O-N 2.83Å; I254-V257 PolarHBondContact O-N 3.07Å; I254-V257 VanDerWaalsContact O-N 3.13Å; V257-T259 PolarHBondContact O-N 3.09Å; V257-S260 PolarHBondContact O-N 3.26Å; V257-S260 PolarHBondContact O-OG 3.24Å; V257-L261 HydrophobicContact CG1-CD1 4.26Å; V257-L261 WeakPolarHBondContact O-CG 3.47Å; V257-L261 PolarHBondContact O-N 3.35Å
258	V	89.9	Confident	84.7	Confident	68 Å²	68	63.7 Å²	63.7	41%	0.412	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-44.8	179	172.1	0	0	0	0	111.6	I254 P255 S260 L261 I262	I254-V258 HydrophobicContact CG2-CG2 4.27Å; I254-V258 WeakPolarHBondContact O-CG2 3.44Å; I254-V258 PolarHBondContact O-N 3.02Å; P255-V258 PolarHBondContact O-N 3.4Å; V258-S260 VanDerWaalsContact C-N 3.3Å; V258-S260 PolarHBondContact O-N 2.98Å; V258-L261 PolarHBondContact O-N 2.89Å; V258-I262 HydrophobicContact CG1-CD1 3.99Å; V258-I262 WeakPolarHBondContact O-CG1 3.49Å; V258-I262 PolarHBondContact O-N 2.9Å
259	T	88.3	Confident	84.8	Confident	4 Å²	4	64.6 Å²	64.6	3%	0.025	35%	0.347	C	S	.	.	H	α-helix	trans	-63.2	-38.6	177.5	53.3	0	0	0	0	111.4	P255 T256 V257 L261 I262 T263 N282 L285 Q286 L289	P255-T259 WeakPolarHBondContact O-CB 3.48Å; P255-T259 VanDerWaalsContact O-CG2 3.31Å; P255-T259 WeakPolarHBondContact O-CG2 3.39Å; P255-T259 PolarHBondContact O-N 3.32Å; P255-T259 PolarHBondContact O-OG1 3Å; T256-T259 PolarHBondContact O-OG1 3Å; V257-T259 PolarHBondContact O-N 3.09Å; T259-L261 PolarHBondContact O-N 3.22Å; T259-I262 PolarHBondContact O-N 3.37Å; T259-T263 WeakPolarHBondContact O-CG2 3.49Å; T259-T263 PolarHBondContact O-N 2.98Å; T259-T263 VanDerWaalsContact O-N 3.14Å; T259-N282 WeakPolarHBondContact CA-ND2 3.36Å; T259-N282 PolarHBondContact O-ND2 2.85Å; T259-N282 VanDerWaalsContact O-ND2 3.15Å; T259-L285 HydrophobicContact CG2-CD2 3.7Å; T259-L285 HydrophobicContact CG2-CG 3.93Å; T259-Q286 HydrophobicContact CG2-CG 3.97Å; T259-L289 HydrophobicContact CG2-CD1 4Å
260	S	85.1	Confident	85	Confident	52 Å²	52	68.7 Å²	68.7	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-63.1	-38.9	174	80	0	0	0	0	112.6	T256 V257 V258 T263 L264	T256-S260 WeakPolarHBondContact O-CB 3.41Å; T256-S260 PolarHBondContact O-N 2.94Å; T256-S260 VanDerWaalsContact O-N 3.1Å; V257-S260 PolarHBondContact O-N 3.26Å; V257-S260 PolarHBondContact O-OG 3.24Å; V258-S260 VanDerWaalsContact C-N 3.3Å; V258-S260 PolarHBondContact O-N 2.98Å; S260-T263 PolarHBondContact O-N 3.13Å; S260-T263 PolarHBondContact O-OG1 3.27Å; S260-L264 PolarHBondContact O-N 2.63Å
261	L	87.6	Confident	85.1	Confident	93 Å²	93	65.7 Å²	65.7	49%	0.487	36%	0.356	S	S	.	.	H	α-helix	trans	-66.8	-41.1	175.6	-69.2	174.5	0	0	0	111.7	V257 V258 T259 T263 L264 C265	V257-L261 HydrophobicContact CG1-CD1 4.26Å; V257-L261 WeakPolarHBondContact O-CG 3.47Å; V257-L261 PolarHBondContact O-N 3.35Å; V258-L261 PolarHBondContact O-N 2.89Å; T259-L261 PolarHBondContact O-N 3.22Å; L261-T263 VanDerWaalsContact C-N 3.25Å; L261-T263 PolarHBondContact O-N 3.41Å; L261-L264 WeakPolarHBondContact O-CA 3.27Å; L261-L264 WeakPolarHBondContact O-CB 3.37Å; L261-L264 PolarHBondContact O-N 3.03Å; L261-C265 PolarHBondContact O-N 3.19Å; L261-C265 PolarHBondContact O-SG 3.15Å
262	I	87.4	Confident	85.1	Confident	43 Å²	43	66.8 Å²	66.8	22%	0.221	36%	0.355	C	S	.	.	H	α-helix	trans	-59.6	-36.8	175.1	-67.9	165	0	0	0	111.3	V258 T259 L264 C265 S266 L278 N282	V258-I262 HydrophobicContact CG1-CD1 3.99Å; V258-I262 WeakPolarHBondContact O-CG1 3.49Å; V258-I262 PolarHBondContact O-N 2.9Å; T259-I262 PolarHBondContact O-N 3.37Å; I262-L264 VanDerWaalsContact C-N 3.28Å; I262-L264 PolarHBondContact O-N 3.41Å; I262-C265 WeakPolarHBondContact O-CB 3.3Å; I262-C265 PolarHBondContact O-N 3.36Å; I262-S266 PolarHBondContact O-N 3.25Å; I262-L278 HydrophobicContact CG2-CD1 3.8Å; I262-L278 HydrophobicContact CG2-CD2 4.25Å; I262-L278 HydrophobicContact CG2-CG 3.88Å; I262-N282 WeakPolarHBondContact CB-ND2 3.26Å; I262-N282 HydrophobicContact CG2-CB 4.04Å; I262-N282 WeakPolarHBondContact CG2-ND2 3.37Å
263	T	83.6	Confident	85.3	Confident	19 Å²	19	74.1 Å²	74.1	12%	0.117	39%	0.388	C	S	.	.	H	α-helix	trans	-67.5	-26.8	173.8	64.1	0	0	0	0	114	T259 S260 L261 S266 L279 F318	T259-T263 WeakPolarHBondContact O-CG2 3.49Å; T259-T263 PolarHBondContact O-N 2.98Å; T259-T263 VanDerWaalsContact O-N 3.14Å; S260-T263 PolarHBondContact O-N 3.13Å; S260-T263 PolarHBondContact O-OG1 3.27Å; L261-T263 VanDerWaalsContact C-N 3.25Å; L261-T263 PolarHBondContact O-N 3.41Å; T263-S266 PolarHBondContact O-OG 3.39Å; T263-L279 HydrophobicContact CG2-CD2 4.48Å; T263-F318 HydrophobicContact CG2-CD2 3.5Å; T263-F318 HydrophobicContact CG2-CE2 3.16Å; T263-F318 HydrophobicContact CG2-CZ 4.29Å
264	L	84.3	Confident	85.5	Confident	97 Å²	97	75.6 Å²	75.6	51%	0.508	39%	0.393	S	S	.	.	H	α-helix	trans	-77.2	-36.6	173.4	-66.4	173.7	0	0	0	110.5	S260 L261 I262 S266 F267	S260-L264 PolarHBondContact O-N 2.63Å; L261-L264 WeakPolarHBondContact O-CA 3.27Å; L261-L264 WeakPolarHBondContact O-CB 3.37Å; L261-L264 PolarHBondContact O-N 3.03Å; I262-L264 VanDerWaalsContact C-N 3.28Å; I262-L264 PolarHBondContact O-N 3.41Å; L264-S266 PolarHBondContact O-N 2.96Å; L264-F267 HydrophobicContact CD2-CE2 4.47Å; L264-F267 WeakPolarHBondContact O-CD2 3.49Å; L264-F267 PolarHBondContact O-N 2.88Å
265	C	84.7	Confident	85.4	Confident	75 Å²	75	72 Å²	72	51%	0.507	38%	0.375	S	S	.	.	H	α-helix	trans	-62	-27.1	175.2	-65.8	0	0	0	0	112.9	L261 I262 F267 W268	L261-C265 PolarHBondContact O-N 3.19Å; L261-C265 PolarHBondContact O-SG 3.15Å; I262-C265 WeakPolarHBondContact O-CB 3.3Å; I262-C265 PolarHBondContact O-N 3.36Å; C265-F267 PolarHBondContact O-N 2.9Å; C265-W268 PolarHBondContact O-N 3.06Å
266	S	82.5	Confident	85.3	Confident	3 Å²	3	74.2 Å²	74.2	2%	0.021	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-64.7	-22	177.6	70.2	0	0	0	0	113.8	I262 T263 L264 W268 A269 L279	I262-S266 PolarHBondContact O-N 3.25Å; T263-S266 PolarHBondContact O-OG 3.39Å; L264-S266 PolarHBondContact O-N 2.96Å; S266-W268 PolarHBondContact O-N 3.01Å; S266-A269 WeakPolarHBondContact O-CB 3.27Å; S266-A269 PolarHBondContact O-N 2.97Å; S266-L279 WeakPolarHBondContact OG-CD2 3.36Å
267	F	80.8	Confident	85.4	Confident	100 Å²	100	80 Å²	80	44%	0.439	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-70.8	-17.8	173.7	-69	-75	0	0	0	113.4	L264 C265 T321 F325	L264-F267 HydrophobicContact CD2-CE2 4.47Å; L264-F267 WeakPolarHBondContact O-CD2 3.49Å; L264-F267 PolarHBondContact O-N 2.88Å; C265-F267 PolarHBondContact O-N 2.9Å; F267-T321 HydrophobicContact CE2-CG2 4.36Å; F267-T321 HydrophobicContact CZ-CG2 4.12Å; F267-F325 HydrophobicContact CD1-CD2 4.22Å; F267-F325 AromaticContact CE1-CD2 3.98Å; F267-F325 HydrophobicContact CE1-CD2 3.98Å
268	W	84.7	Confident	85.5	Confident	227 Å²	227	79.3 Å²	79.3	86%	0.86	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-97.8	3	178.8	-62.6	77.1	0	0	0	112.4	C265 S266 E270	C265-W268 PolarHBondContact O-N 3.06Å; S266-W268 PolarHBondContact O-N 3.01Å; W268-E270 PolarHBondContact O-N 3.28Å
269	A	84.5	Confident	85.4	Confident	35 Å²	35	76.9 Å²	76.9	29%	0.289	39%	0.39	S	S	.	.			trans	-70.7	128.2	177.3	0	0	0	0	0	110.7	S266 S271 Q274 A275	S266-A269 WeakPolarHBondContact O-CB 3.27Å; S266-A269 PolarHBondContact O-N 2.97Å; A269-S271 VanDerWaalsContact C-N 3.33Å; A269-S271 PolarHBondContact O-N 2.8Å; A269-Q274 HydrophobicContact CB-CB 4.46Å; A269-A275 HydrophobicContact CB-CB 3.86Å
270	E	84.1	Confident	85.4	Confident	192 Å²	192	79.8 Å²	79.8	90%	0.897	41%	0.41	S	S	*	.	S	Bend	trans	-70.5	-29.3	-175.9	-63.4	177.9	174.9	0	0	112.9	W268	W268-E270 PolarHBondContact O-N 3.28Å
271	S	85.2	Confident	85.6	Confident	42 Å²	42	82.7 Å²	82.7	29%	0.294	42%	0.416	S	S	.	.	S	Bend	trans	-120.9	143.8	-179.6	71.6	0	0	0	0	112.7	A269 H273 Q274 A275	A269-S271 VanDerWaalsContact C-N 3.33Å; A269-S271 PolarHBondContact O-N 2.8Å; S271-H273 PolarHBondContact O-N 3Å; S271-Q274 PolarHBondContact O-N 2.87Å; S271-Q274 WeakPolarHBondContact OG-CB 3.29Å; S271-Q274 WeakPolarHBondContact OG-CG 3.28Å; S271-Q274 PolarHBondContact OG-N 3.17Å; S271-Q274 PolarHBondContact OG-OE1 3.49Å; S271-A275 PolarHBondContact O-N 2.97Å; S271-A275 VanDerWaalsContact O-N 3.11Å
272	T	83	Confident	85.7	Confident	59 Å²	59	78.3 Å²	78.3	36%	0.362	39%	0.393	S	S	.	.	H	α-helix	trans	-56.9	-38.6	176.1	-51	0	0	0	0	112.4	A275 V276 V329	T272-A275 PolarHBondContact O-N 2.64Å; T272-V276 HydrophobicContact CG2-CG2 4.42Å; T272-V276 WeakPolarHBondContact O-CG2 3.42Å; T272-V276 PolarHBondContact O-N 2.63Å; T272-V329 HydrophobicContact CG2-CB 4.47Å; T272-V329 HydrophobicContact CG2-CG1 3.36Å; T272-V329 HydrophobicContact CG2-CG2 4.26Å
273	H	86.7	Confident	85.7	Confident	165 Å²	165	80.3 Å²	80.3	76%	0.764	40%	0.404	S	S	*	.	H	α-helix	trans	-65	-42.3	179.8	-64.5	-72.3	0	0	0	112.2	S271 F277	S271-H273 PolarHBondContact O-N 3Å; H273-F277 WeakPolarHBondContact O-CB 3.42Å; H273-F277 PolarHBondContact O-N 3.2Å
274	Q	87	Confident	85.9	Confident	107 Å²	107	84.6 Å²	84.6	50%	0.5	43%	0.425	S	S	.	.	H	α-helix	trans	-63.7	-42.8	175	-73.6	163.9	-14.2	0	0	111.4	A269 S271 F277 L278	A269-Q274 HydrophobicContact CB-CB 4.46Å; S271-Q274 PolarHBondContact O-N 2.87Å; S271-Q274 WeakPolarHBondContact OG-CB 3.29Å; S271-Q274 WeakPolarHBondContact OG-CG 3.28Å; S271-Q274 PolarHBondContact OG-N 3.17Å; S271-Q274 PolarHBondContact OG-OE1 3.49Å; Q274-F277 PolarHBondContact O-N 3.1Å; Q274-L278 WeakPolarHBondContact O-CB 3.49Å; Q274-L278 PolarHBondContact O-N 3.41Å
275	A	85.1	Confident	86.2	Confident	2 Å²	2	82.8 Å²	82.8	2%	0.017	42%	0.416	C	S	.	.	H	α-helix	trans	-63.4	-44.5	179.4	0	0	0	0	0	112.3	A269 S271 T272 L278 L279 F325	A269-A275 HydrophobicContact CB-CB 3.86Å; S271-A275 PolarHBondContact O-N 2.97Å; S271-A275 VanDerWaalsContact O-N 3.11Å; T272-A275 PolarHBondContact O-N 2.64Å; A275-L278 PolarHBondContact O-N 3.28Å; A275-L279 WeakPolarHBondContact O-CB 3.49Å; A275-L279 VanDerWaalsContact O-CG 3.3Å; A275-L279 WeakPolarHBondContact O-CG 3.46Å; A275-L279 PolarHBondContact O-N 3Å; A275-F325 HydrophobicContact CB-CE1 3.84Å; A275-F325 HydrophobicContact CB-CE2 4.46Å; A275-F325 HydrophobicContact CB-CZ 3.42Å; A275-F325 VanDerWaalsContact CB-CZ 3.42Å
276	V	85	Confident	86.3	Confident	80 Å²	80	80.2 Å²	80.2	49%	0.485	40%	0.397	S	S	.	.	H	α-helix	trans	-63.1	-42.5	177.2	171.6	0	0	0	0	111.3	T272 S280	T272-V276 HydrophobicContact CG2-CG2 4.42Å; T272-V276 WeakPolarHBondContact O-CG2 3.42Å; T272-V276 PolarHBondContact O-N 2.63Å; V276-S280 WeakPolarHBondContact O-CB 3.22Å; V276-S280 PolarHBondContact O-N 3.44Å; V276-S280 PolarHBondContact O-OG 3.28Å
277	F	88.1	Confident	86.5	Confident	147 Å²	147	82.6 Å²	82.6	65%	0.645	42%	0.417	S	S	*	.	H	α-helix	trans	-64.1	-44.8	176.8	179.7	-94.4	0	0	0	112.4	H273 Q274 L279 S280 F281	H273-F277 WeakPolarHBondContact O-CB 3.42Å; H273-F277 PolarHBondContact O-N 3.2Å; Q274-F277 PolarHBondContact O-N 3.1Å; F277-L279 PolarHBondContact O-N 3.15Å; F277-S280 PolarHBondContact O-N 3.31Å; F277-S280 PolarHBondContact O-OG 2.87Å; F277-F281 WeakPolarHBondContact O-CB 3.43Å; F277-F281 PolarHBondContact O-N 3.46Å
278	L	88.1	Confident	86.9	Confident	56 Å²	56	81.7 Å²	81.7	29%	0.293	42%	0.419	S	S	.	.	H	α-helix	trans	-62.9	-42.8	178.4	-174.3	67.1	0	0	0	111.6	I262 Q274 A275 N282	I262-L278 HydrophobicContact CG2-CD1 3.8Å; I262-L278 HydrophobicContact CG2-CD2 4.25Å; I262-L278 HydrophobicContact CG2-CG 3.88Å; Q274-L278 WeakPolarHBondContact O-CB 3.49Å; Q274-L278 PolarHBondContact O-N 3.41Å; A275-L278 PolarHBondContact O-N 3.28Å; L278-N282 VanDerWaalsContact O-CB 3.3Å; L278-N282 WeakPolarHBondContact O-CB 3.44Å; L278-N282 PolarHBondContact O-N 2.98Å
279	L	87.4	Confident	87	Confident	17 Å²	17	72.7 Å²	72.7	9%	0.089	39%	0.388	C	S	.	.	H	α-helix	trans	-68.9	-39	178.7	-73.3	173.2	0	0	0	112.7	T263 S266 A275 F277 N282 L283 T322 F325	T263-L279 HydrophobicContact CG2-CD2 4.48Å; S266-L279 WeakPolarHBondContact OG-CD2 3.36Å; A275-L279 WeakPolarHBondContact O-CB 3.49Å; A275-L279 VanDerWaalsContact O-CG 3.3Å; A275-L279 WeakPolarHBondContact O-CG 3.46Å; A275-L279 PolarHBondContact O-N 3Å; F277-L279 PolarHBondContact O-N 3.15Å; L279-N282 PolarHBondContact O-N 3.14Å; L279-L283 WeakPolarHBondContact O-CB 3.38Å; L279-L283 PolarHBondContact O-N 3.33Å; L279-T322 HydrophobicContact CD2-CG2 4.14Å; L279-F325 HydrophobicContact CD1-CD1 3.37Å; L279-F325 HydrophobicContact CD1-CE1 3.67Å; L279-F325 HydrophobicContact CD1-CG 3.92Å; L279-F325 HydrophobicContact CD1-CZ 4.44Å
280	S	87.6	Confident	87	Confident	65 Å²	65	72 Å²	72	46%	0.455	38%	0.382	S	S	.	.	H	α-helix	trans	-68	-41.6	177	65.5	0	0	0	0	111.6	V276 F277 L283 L284	V276-S280 WeakPolarHBondContact O-CB 3.22Å; V276-S280 PolarHBondContact O-N 3.44Å; V276-S280 PolarHBondContact O-OG 3.28Å; F277-S280 PolarHBondContact O-N 3.31Å; F277-S280 PolarHBondContact O-OG 2.87Å; S280-L283 PolarHBondContact O-N 3.35Å; S280-L284 PolarHBondContact O-N 2.93Å
281	F	90	Very high	87.1	Confident	113 Å²	113	68.8 Å²	68.8	50%	0.496	37%	0.367	S	S	.	.	H	α-helix	trans	-62.8	-43.2	173.5	-178.3	-99	0	0	0	111.7	F277 L284 L285	F277-F281 WeakPolarHBondContact O-CB 3.43Å; F277-F281 PolarHBondContact O-N 3.46Å; F281-L284 PolarHBondContact O-N 2.94Å; F281-L285 PolarHBondContact O-N 2.83Å
282	N	89.7	Confident	87.2	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.371	C	S	.	.	H	α-helix	trans	-64.7	-40.4	177.3	-168.5	-87	0	0	0	112.5	T259 I262 L278 L279 L284 L285 Q286 F318	T259-N282 WeakPolarHBondContact CA-ND2 3.36Å; T259-N282 PolarHBondContact O-ND2 2.85Å; T259-N282 VanDerWaalsContact O-ND2 3.15Å; I262-N282 WeakPolarHBondContact CB-ND2 3.26Å; I262-N282 HydrophobicContact CG2-CB 4.04Å; I262-N282 WeakPolarHBondContact CG2-ND2 3.37Å; L278-N282 VanDerWaalsContact O-CB 3.3Å; L278-N282 WeakPolarHBondContact O-CB 3.44Å; L278-N282 PolarHBondContact O-N 2.98Å; L279-N282 PolarHBondContact O-N 3.14Å; N282-L284 VanDerWaalsContact C-N 3.32Å; N282-L284 PolarHBondContact O-N 2.93Å; N282-L285 PolarHBondContact O-N 3Å; N282-Q286 WeakPolarHBondContact O-CG 3.46Å; N282-Q286 PolarHBondContact O-N 3.2Å; N282-Q286 PolarHBondContact OD1-NE2 3.27Å; N282-F318 WeakPolarHBondContact OD1-CE2 3.31Å
283	L	86.8	Confident	87.2	Confident	86 Å²	86	67.3 Å²	67.3	45%	0.45	35%	0.354	S	S	.	.	H	α-helix	trans	-61	-41.3	174.6	176.4	62.3	0	0	0	111.5	L279 S280 Q286 A287 F318	L279-L283 WeakPolarHBondContact O-CB 3.38Å; L279-L283 PolarHBondContact O-N 3.33Å; S280-L283 PolarHBondContact O-N 3.35Å; L283-Q286 PolarHBondContact O-N 2.96Å; L283-A287 PolarHBondContact O-N 3.31Å; L283-F318 HydrophobicContact CB-CE1 3.77Å; L283-F318 HydrophobicContact CB-CZ 3.89Å; L283-F318 HydrophobicContact CD1-CD1 4.01Å; L283-F318 HydrophobicContact CD1-CE1 3.58Å; L283-F318 HydrophobicContact CD1-CZ 4.43Å; L283-F318 HydrophobicContact CG-CE1 4.16Å
284	L	89.6	Confident	86.9	Confident	108 Å²	108	65.2 Å²	65.2	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-63	-45.6	175	-179.7	63.5	0	0	0	111.2	S280 F281 N282 Q286 A287 V288	S280-L284 PolarHBondContact O-N 2.93Å; F281-L284 PolarHBondContact O-N 2.94Å; N282-L284 VanDerWaalsContact C-N 3.32Å; N282-L284 PolarHBondContact O-N 2.93Å; L284-Q286 VanDerWaalsContact C-N 3.32Å; L284-Q286 PolarHBondContact O-N 2.86Å; L284-A287 WeakPolarHBondContact O-CB 3.31Å; L284-A287 PolarHBondContact O-N 2.97Å; L284-A287 VanDerWaalsContact O-N 3.15Å; L284-V288 WeakPolarHBondContact O-CG2 3.27Å; L284-V288 PolarHBondContact O-N 3.41Å
285	L	90.1	Very high	86.6	Confident	60 Å²	60	66.6 Å²	66.6	31%	0.314	36%	0.358	S	S	.	.	H	α-helix	trans	-59.2	-42.8	176.2	179.8	59.5	0	0	0	111.6	T259 F281 N282 V288 L289	T259-L285 HydrophobicContact CG2-CD2 3.7Å; T259-L285 HydrophobicContact CG2-CG 3.93Å; F281-L285 PolarHBondContact O-N 2.83Å; N282-L285 PolarHBondContact O-N 3Å; L285-V288 PolarHBondContact O-N 3.42Å; L285-L289 HydrophobicContact CD1-CD1 4.35Å; L285-L289 HydrophobicContact CD1-CG 4.42Å; L285-L289 HydrophobicContact CG-CD1 4.15Å; L285-L289 VanDerWaalsContact O-CG 3.27Å; L285-L289 WeakPolarHBondContact O-CG 3.39Å; L285-L289 PolarHBondContact O-N 2.97Å
286	Q	87.1	Confident	86.4	Confident	20 Å²	20	70.4 Å²	70.4	9%	0.093	38%	0.375	C	S	.	.	H	α-helix	trans	-64.6	-37.3	174.9	-73.7	-173.6	-11	0	0	113	T259 N282 L283 L284 L289 A290 F318	T259-Q286 HydrophobicContact CG2-CG 3.97Å; N282-Q286 WeakPolarHBondContact O-CG 3.46Å; N282-Q286 PolarHBondContact O-N 3.2Å; N282-Q286 PolarHBondContact OD1-NE2 3.27Å; L283-Q286 PolarHBondContact O-N 2.96Å; L284-Q286 VanDerWaalsContact C-N 3.32Å; L284-Q286 PolarHBondContact O-N 2.86Å; Q286-L289 PolarHBondContact O-N 3.11Å; Q286-A290 VanDerWaalsContact O-CB 3.26Å; Q286-A290 WeakPolarHBondContact O-CB 3.49Å; Q286-A290 PolarHBondContact O-N 2.84Å; Q286-F318 VanDerWaalsContact NE2-CD2 3.25Å
287	A	86.4	Confident	86.3	Confident	54 Å²	54	68.4 Å²	68.4	45%	0.446	36%	0.361	S	S	.	.	H	α-helix	trans	-64	-44	176.7	0	0	0	0	0	111.3	L283 L284 A290 E291	L283-A287 PolarHBondContact O-N 3.31Å; L284-A287 WeakPolarHBondContact O-CB 3.31Å; L284-A287 PolarHBondContact O-N 2.97Å; L284-A287 VanDerWaalsContact O-N 3.15Å; A287-A290 PolarHBondContact O-N 3.39Å; A287-E291 PolarHBondContact O-N 3.47Å
288	V	89.4	Confident	85.9	Confident	81 Å²	81	61.8 Å²	61.8	49%	0.491	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-44.5	175.7	174.7	0	0	0	0	111.3	L284 L285 A290 E291 D292	L284-V288 WeakPolarHBondContact O-CG2 3.27Å; L284-V288 PolarHBondContact O-N 3.41Å; L285-V288 PolarHBondContact O-N 3.42Å; V288-A290 VanDerWaalsContact C-N 3.32Å; V288-A290 PolarHBondContact O-N 2.91Å; V288-E291 PolarHBondContact O-N 2.99Å; V288-D292 PolarHBondContact O-N 3.21Å
289	L	86.5	Confident	85.2	Confident	37 Å²	37	62 Å²	62	19%	0.194	34%	0.338	C	S	.	.	H	α-helix	trans	-66.4	-33.1	177	-68.9	170.5	0	0	0	112.9	P255 T259 L285 Q286 L293	P255-L289 HydrophobicContact CB-CD1 3.63Å; P255-L289 HydrophobicContact CB-CD2 3.93Å; P255-L289 HydrophobicContact CB-CG 4.46Å; P255-L289 HydrophobicContact CG-CD2 4.48Å; T259-L289 HydrophobicContact CG2-CD1 4Å; L285-L289 HydrophobicContact CD1-CD1 4.35Å; L285-L289 HydrophobicContact CD1-CG 4.42Å; L285-L289 HydrophobicContact CG-CD1 4.15Å; L285-L289 VanDerWaalsContact O-CG 3.27Å; L285-L289 WeakPolarHBondContact O-CG 3.39Å; L285-L289 PolarHBondContact O-N 2.97Å; Q286-L289 PolarHBondContact O-N 3.11Å; L289-L293 PolarHBondContact O-N 3.42Å
290	A	84.1	Confident	84.1	Confident	22 Å²	22	64.3 Å²	64.3	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-71.2	-40.4	175.4	0	0	0	0	0	111.3	Q286 A287 V288 L293 L294	Q286-A290 VanDerWaalsContact O-CB 3.26Å; Q286-A290 WeakPolarHBondContact O-CB 3.49Å; Q286-A290 PolarHBondContact O-N 2.84Å; A287-A290 PolarHBondContact O-N 3.39Å; V288-A290 VanDerWaalsContact C-N 3.32Å; V288-A290 PolarHBondContact O-N 2.91Å; A290-L293 PolarHBondContact O-N 2.97Å; A290-L294 WeakPolarHBondContact O-CB 3.42Å; A290-L294 WeakPolarHBondContact O-CG 3.48Å; A290-L294 PolarHBondContact O-N 3.39Å
291	E	86.8	Confident	82.8	Confident	123 Å²	123	65.8 Å²	65.8	58%	0.575	36%	0.359	S	S	*	.	H	α-helix	trans	-61.8	-46.7	173.3	-174.7	176.2	-179.3	0	0	111.2	A287 V288 L293 L294 L295	A287-E291 PolarHBondContact O-N 3.47Å; V288-E291 PolarHBondContact O-N 2.99Å; E291-L293 VanDerWaalsContact C-N 3.35Å; E291-L293 PolarHBondContact O-N 2.87Å; E291-L294 PolarHBondContact O-N 2.95Å; E291-L294 VanDerWaalsContact O-N 3.15Å; E291-L295 HydrophobicContact CG-CD1 4.41Å; E291-L295 WeakPolarHBondContact O-CG 3.27Å; E291-L295 PolarHBondContact O-N 3.15Å
292	D	86	Confident	81.7	Confident	70 Å²	70	64.7 Å²	64.7	37%	0.374	37%	0.366	S	S	.	.	H	α-helix	trans	-58.4	-43.2	175.3	-176.8	57.4	0	0	0	112	V288 L295 Q296	V288-D292 PolarHBondContact O-N 3.21Å; D292-L295 PolarHBondContact O-N 3.28Å; D292-Q296 VanDerWaalsContact CG-NE2 3.26Å; D292-Q296 WeakPolarHBondContact O-CG 3.45Å; D292-Q296 PolarHBondContact O-N 3.45Å; D292-Q296 PolarHBondContact OD1-NE2 3.23Å; D292-Q296 PolarHBondContact OD2-NE2 3.26Å
293	L	82.9	Confident	80.7	Confident	1 Å²	1	66.4 Å²	66.4	1%	0.005	38%	0.378	C	S	.	.	H	α-helix	trans	-64.2	-45.5	173.8	-175.7	70.6	0	0	0	111.6	F248 V252 L289 A290 E291 L295 Q296 L297 I307 Q311	F248-L293 HydrophobicContact CE2-CD1 3.83Å; V252-L293 HydrophobicContact CG1-CD1 4.26Å; V252-L293 HydrophobicContact CG2-CD1 3.95Å; L289-L293 PolarHBondContact O-N 3.42Å; A290-L293 PolarHBondContact O-N 2.97Å; E291-L293 VanDerWaalsContact C-N 3.35Å; E291-L293 PolarHBondContact O-N 2.87Å; L293-L295 PolarHBondContact O-N 3.32Å; L293-Q296 CarbonylContact O-C 3.6Å; L293-Q296 WeakPolarHBondContact O-CA 3.48Å; L293-Q296 PolarHBondContact O-N 3.5Å; L293-L297 HydrophobicContact CG-CG 4.31Å; L293-L297 WeakPolarHBondContact O-CG 3.48Å; L293-L297 PolarHBondContact O-N 3.19Å; L293-I307 HydrophobicContact CD2-CG1 4.1Å; L293-Q311 HydrophobicContact CD2-CG 3.72Å
294	L	81.3	Confident	80.1	Confident	121 Å²	121	66.4 Å²	66.4	63%	0.634	38%	0.381	S	S	*	.	H	α-helix	trans	-59.2	-34.3	-178.9	-74.7	171.4	0	0	0	111.8	A290 E291 Q296 L297	A290-L294 WeakPolarHBondContact O-CB 3.42Å; A290-L294 WeakPolarHBondContact O-CG 3.48Å; A290-L294 PolarHBondContact O-N 3.39Å; E291-L294 PolarHBondContact O-N 2.95Å; E291-L294 VanDerWaalsContact O-N 3.15Å; L294-Q296 VanDerWaalsContact C-N 3.35Å; L294-L297 HydrophobicContact CD2-CD1 4.18Å
295	L	81.6	Confident	79.8	Confident	136 Å²	136	61.4 Å²	61.4	71%	0.712	36%	0.355	S	S	*	.	H	α-helix	trans	-71.2	-27.5	173.6	-69.3	172.5	0	0	0	113.3	E291 D292 L293	E291-L295 HydrophobicContact CG-CD1 4.41Å; E291-L295 WeakPolarHBondContact O-CG 3.27Å; E291-L295 PolarHBondContact O-N 3.15Å; D292-L295 PolarHBondContact O-N 3.28Å; L293-L295 PolarHBondContact O-N 3.32Å
296	Q	80.7	Confident	79.2	Confident	82 Å²	82	61.6 Å²	61.6	38%	0.383	36%	0.361	S	S	.	.	H	α-helix	trans	-86.2	-17.1	178.3	-70.2	171.9	28.2	0	0	113.8	Y153 D292 L293 L294	Y153-Q296 PolarHBondContact OH-O 3.03Å; D292-Q296 VanDerWaalsContact CG-NE2 3.26Å; D292-Q296 WeakPolarHBondContact O-CG 3.45Å; D292-Q296 PolarHBondContact O-N 3.45Å; D292-Q296 PolarHBondContact OD1-NE2 3.23Å; D292-Q296 PolarHBondContact OD2-NE2 3.26Å; L293-Q296 CarbonylContact O-C 3.6Å; L293-Q296 WeakPolarHBondContact O-CA 3.48Å; L293-Q296 PolarHBondContact O-N 3.5Å; L294-Q296 VanDerWaalsContact C-N 3.35Å
297	L	81.1	Confident	78.7	Confident	37 Å²	37	61.8 Å²	61.8	19%	0.194	36%	0.363	C	S	.	.	S	Bend	trans	-69.2	137.9	178.8	-73.8	173.9	0	0	0	110.4	Y153 L293 L294 P305 I307	Y153-L297 HydrophobicContact CD1-CD2 3.91Å; Y153-L297 HydrophobicContact CE1-CD2 3.88Å; L293-L297 HydrophobicContact CG-CG 4.31Å; L293-L297 WeakPolarHBondContact O-CG 3.48Å; L293-L297 PolarHBondContact O-N 3.19Å; L294-L297 HydrophobicContact CD2-CD1 4.18Å; L297-P305 HydrophobicContact CD2-CG 4.43Å; L297-I307 HydrophobicContact CD2-CG2 3.9Å
298	P	80.7	Confident	78	Confident	8 Å²	8	59.8 Å²	59.8	5%	0.052	35%	0.347	C	S	.	.			trans	-64.8	157.1	172.6	25.4	-32	0	0	0	111.2	E60 F150 Y153 T300	E60-P298 HydrophobicContact CB-CB 4.38Å; E60-P298 WeakPolarHBondContact OE2-CB 3.19Å; F150-P298 HydrophobicContact CB-CG 3.92Å; F150-P298 HydrophobicContact CD1-CB 3.95Å; F150-P298 HydrophobicContact CD1-CG 3.45Å; F150-P298 VanDerWaalsContact CD1-CG 3.45Å; F150-P298 HydrophobicContact CD2-CB 3.86Å; F150-P298 HydrophobicContact CD2-CG 3.69Å; F150-P298 HydrophobicContact CE1-CB 3.72Å; F150-P298 HydrophobicContact CE1-CG 3.77Å; F150-P298 HydrophobicContact CE2-CB 3.63Å; F150-P298 HydrophobicContact CE2-CG 4Å; F150-P298 HydrophobicContact CG-CB 4.01Å; F150-P298 HydrophobicContact CG-CG 3.4Å; F150-P298 HydrophobicContact CZ-CB 3.55Å; F150-P298 HydrophobicContact CZ-CG 4.03Å; Y153-P298 HydrophobicContact CD2-CG 3.97Å; Y153-P298 HydrophobicContact CE2-CG 4.23Å; P298-T300 PolarHBondContact O-N 2.89Å
299	P	74	Confident	77.4	Confident	60 Å²	60	61.8 Å²	61.8	39%	0.39	35%	0.35	S	S	.	.			trans	-66.3	106.6	170.9	26	-29.9	0	0	0	109.5	E61	E61-P299 VanDerWaalsContact CA-CG 3.48Å; E61-P299 HydrophobicContact CB-CG 3.98Å; E61-P299 HydrophobicContact CG-CG 3.9Å
300	T	64.4	Low	76.9	Confident	67 Å²	67	64.2 Å²	64.2	41%	0.411	36%	0.362	S	S	.	.			trans	-78.9	126.9	-176.9	59.1	0	0	0	0	110.6	P298 P305	P298-T300 PolarHBondContact O-N 2.89Å; T300-P305 VanDerWaalsContact CG2-CD 3.4Å; T300-P305 HydrophobicContact CG2-CG 3.8Å
301	T	59.5	Low	76.3	Confident	95 Å²	95	64.4 Å²	64.4	58%	0.583	36%	0.359	S	S	*	.	S	Bend	trans	-101.3	-33.3	175.4	57	0	0	0	0	113.7	Q63	Q63-T301 PolarHBondContact NE2-OG1 3.42Å
302	S	66.3	Low	75.7	Confident	90 Å²	90	63 Å²	63	63%	0.629	36%	0.36	S	S	*	.	S	Bend	trans	-114.1	-43.4	-169.5	60.3	0	0	0	0	114.3
303	S	69.4	Low	75.3	Confident	36 Å²	36	65.1 Å²	65.1	25%	0.252	37%	0.365	S	S	.	.			trans	-140.3	144.7	-175.4	69.8	0	0	0	0	111.7	S151 P305	S151-S303 PolarHBondContact OG-OG 3.26Å; S303-P305 WeakPolarHBondContact O-CD 3.42Å
304	V	75	Confident	74.8	Confident	87 Å²	87	67.4 Å²	67.4	53%	0.527	38%	0.377	S	S	.	.			trans	-73.6	124	168.7	-178.9	0	0	0	0	107.9	K309	V304-K309 HydrophobicContact CG1-CG 4.45Å; V304-K309 WeakPolarHBondContact O-CE 3.3Å
305	P	81.9	Confident	74.3	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.013	36%	0.362	C	S	.	.			trans	-51.8	146	177.4	-30.1	34.8	0	0	0	112.2	F150 L297 T300 S303 I307 G308 K309	F150-P305 HydrophobicContact CB-CG 4.21Å; F150-P305 WeakPolarHBondContact O-CB 3.48Å; F150-P305 WeakPolarHBondContact O-CG 3.49Å; L297-P305 HydrophobicContact CD2-CG 4.43Å; T300-P305 VanDerWaalsContact CG2-CD 3.4Å; T300-P305 HydrophobicContact CG2-CG 3.8Å; S303-P305 WeakPolarHBondContact O-CD 3.42Å; P305-I307 HydrophobicContact CB-CG2 3.91Å; P305-I307 PolarHBondContact O-N 3.28Å; P305-I307 VanDerWaalsContact O-N 3.16Å; P305-G308 PolarHBondContact O-N 2.92Å; P305-K309 PolarHBondContact O-N 3.32Å
306	S	78.7	Confident	74.1	Confident	64 Å²	64	67.2 Å²	67.2	45%	0.448	36%	0.364	S	S	.	.	H	α-helix	trans	-57.2	-31.9	177.8	-64	0	0	0	0	112.2	S151 K309 L310	S151-S306 PolarHBondContact O-N 2.96Å; S151-S306 PolarHBondContact O-OG 3.46Å; S151-S306 VanDerWaalsContact O-OG 3.09Å; S306-K309 WeakPolarHBondContact O-CB 3.22Å; S306-K309 PolarHBondContact O-N 3.35Å; S306-L310 PolarHBondContact O-N 3.34Å
307	I	75.8	Confident	73.8	Confident	24 Å²	24	68.4 Å²	68.4	12%	0.123	37%	0.368	C	S	.	.	H	α-helix	trans	-65.2	-37.6	174.9	-168.6	71.7	0	0	0	113.2	Y153 F248 L293 L297 P305 K309 L310 Q311	Y153-I307 HydrophobicContact CD1-CG2 3.82Å; F248-I307 HydrophobicContact CE1-CD1 4.37Å; F248-I307 HydrophobicContact CZ-CD1 3.86Å; F248-I307 HydrophobicContact CZ-CG1 3.89Å; L293-I307 HydrophobicContact CD2-CG1 4.1Å; L297-I307 HydrophobicContact CD2-CG2 3.9Å; P305-I307 HydrophobicContact CB-CG2 3.91Å; P305-I307 PolarHBondContact O-N 3.28Å; P305-I307 VanDerWaalsContact O-N 3.16Å; I307-K309 VanDerWaalsContact C-N 3.27Å; I307-K309 PolarHBondContact O-N 3.12Å; I307-L310 HydrophobicContact CD1-CD2 4.11Å; I307-L310 WeakPolarHBondContact O-CB 3.45Å; I307-L310 PolarHBondContact O-N 3.01Å; I307-L310 VanDerWaalsContact O-N 3.09Å; I307-Q311 PolarHBondContact O-N 3.03Å
308	G	72.8	Confident	73.4	Confident	12 Å²	12	67.1 Å²	67.1	12%	0.124	36%	0.361	C	S	.	.	H	α-helix	trans	-64.7	-36.5	177.8	0	0	0	0	0	111	P305 T312	P305-G308 PolarHBondContact O-N 2.92Å; G308-T312 WeakPolarHBondContact O-CB 3.4Å; G308-T312 VanDerWaalsContact O-CG2 3.28Å; G308-T312 WeakPolarHBondContact O-CG2 3.34Å; G308-T312 PolarHBondContact O-N 2.91Å; G308-T312 PolarHBondContact O-OG1 3.24Å
309	K	75.6	Confident	73	Confident	124 Å²	124	72.8 Å²	72.8	54%	0.539	39%	0.385	S	S	.	.	H	α-helix	trans	-66	-39.9	171.7	-61.5	174.8	-172.3	163	0	111.7	V304 P305 S306 I307 T312 F313	V304-K309 HydrophobicContact CG1-CG 4.45Å; V304-K309 WeakPolarHBondContact O-CE 3.3Å; P305-K309 PolarHBondContact O-N 3.32Å; S306-K309 WeakPolarHBondContact O-CB 3.22Å; S306-K309 PolarHBondContact O-N 3.35Å; I307-K309 VanDerWaalsContact C-N 3.27Å; I307-K309 PolarHBondContact O-N 3.12Å; K309-T312 WeakPolarHBondContact CA-OG1 3.2Å; K309-T312 PolarHBondContact O-OG1 2.89Å; K309-F313 VanDerWaalsContact O-CB 3.27Å; K309-F313 WeakPolarHBondContact O-CB 3.49Å; K309-F313 PolarHBondContact O-N 3.19Å
310	L	75.9	Confident	73.2	Confident	87 Å²	87	74.5 Å²	74.5	46%	0.455	39%	0.39	S	S	.	.	H	α-helix	trans	-65	-47.2	176.7	-177.9	62.8	0	0	0	111.8	S306 I307 F313 I314	S306-L310 PolarHBondContact O-N 3.34Å; I307-L310 HydrophobicContact CD1-CD2 4.11Å; I307-L310 WeakPolarHBondContact O-CB 3.45Å; I307-L310 PolarHBondContact O-N 3.01Å; I307-L310 VanDerWaalsContact O-N 3.09Å; L310-F313 WeakPolarHBondContact O-CB 3.3Å; L310-F313 PolarHBondContact O-N 2.95Å; L310-I314 HydrophobicContact CD1-CD1 4.31Å; L310-I314 HydrophobicContact CG-CD1 4.02Å; L310-I314 VanDerWaalsContact O-CG1 3.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.26Å; L310-I314 PolarHBondContact O-N 3.41Å
311	Q	71.9	Confident	73.6	Confident	27 Å²	27	73.9 Å²	73.9	13%	0.126	39%	0.386	C	S	.	.	H	α-helix	trans	-65.6	-44.9	178.7	-84.2	-151.1	-14	0	0	112.5	L293 I307 F313 I314 V315	L293-Q311 HydrophobicContact CD2-CG 3.72Å; I307-Q311 PolarHBondContact O-N 3.03Å; Q311-F313 PolarHBondContact O-N 3.38Å; Q311-I314 PolarHBondContact O-N 2.96Å; Q311-V315 WeakPolarHBondContact O-CG2 3.44Å; Q311-V315 PolarHBondContact O-N 2.78Å
312	T	73.7	Confident	74.2	Confident	94 Å²	94	70.8 Å²	70.8	58%	0.577	37%	0.367	S	S	*	.	H	α-helix	trans	-59.2	-35.7	174.7	50.2	0	0	0	0	111.7	G308 K309 R316	G308-T312 WeakPolarHBondContact O-CB 3.4Å; G308-T312 VanDerWaalsContact O-CG2 3.28Å; G308-T312 WeakPolarHBondContact O-CG2 3.34Å; G308-T312 PolarHBondContact O-N 2.91Å; G308-T312 PolarHBondContact O-OG1 3.24Å; K309-T312 WeakPolarHBondContact CA-OG1 3.2Å; K309-T312 PolarHBondContact O-OG1 2.89Å; T312-R316 VanDerWaalsContact O-CB 3.27Å; T312-R316 WeakPolarHBondContact O-CB 3.44Å; T312-R316 PolarHBondContact O-N 2.92Å
313	F	77.2	Confident	74.7	Confident	113 Å²	113	70.4 Å²	70.4	50%	0.496	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-44.6	171.5	178.5	-95.5	0	0	0	112.7	K309 L310 Q311 R316 K317	K309-F313 VanDerWaalsContact O-CB 3.27Å; K309-F313 WeakPolarHBondContact O-CB 3.49Å; K309-F313 PolarHBondContact O-N 3.19Å; L310-F313 WeakPolarHBondContact O-CB 3.3Å; L310-F313 PolarHBondContact O-N 2.95Å; Q311-F313 PolarHBondContact O-N 3.38Å; F313-R316 PolarHBondContact O-N 3.44Å; F313-K317 HydrophobicContact CD1-CG 4.18Å; F313-K317 HydrophobicContact CE1-CG 3.82Å; F313-K317 HydrophobicContact CE2-CG 4.35Å; F313-K317 HydrophobicContact CZ-CD 4.25Å; F313-K317 HydrophobicContact CZ-CG 3.93Å; F313-K317 WeakPolarHBondContact O-CB 3.4Å; F313-K317 WeakPolarHBondContact O-CG 3.4Å; F313-K317 PolarHBondContact O-N 2.93Å
314	I	72.9	Confident	75.1	Confident	50 Å²	50	72.6 Å²	72.6	26%	0.256	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-46.8	177.8	-68.6	169.4	0	0	0	110.8	T256 L310 Q311 R316 K317 F318	T256-I314 HydrophobicContact CG2-CD1 3.58Å; T256-I314 HydrophobicContact CG2-CG2 4.24Å; L310-I314 HydrophobicContact CD1-CD1 4.31Å; L310-I314 HydrophobicContact CG-CD1 4.02Å; L310-I314 VanDerWaalsContact O-CG1 3.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.26Å; L310-I314 PolarHBondContact O-N 3.41Å; Q311-I314 PolarHBondContact O-N 2.96Å; I314-R316 VanDerWaalsContact C-N 3.32Å; I314-R316 PolarHBondContact O-N 3.48Å; I314-K317 PolarHBondContact O-N 3.05Å; I314-F318 WeakPolarHBondContact O-CB 3.36Å; I314-F318 PolarHBondContact O-N 3.47Å
315	V	71.9	Confident	75.1	Confident	52 Å²	52	69.4 Å²	69.4	32%	0.315	35%	0.351	S	S	.	.	H	α-helix	trans	-61.1	-41.1	175.7	173.6	0	0	0	0	111	Q311 F318 K319	Q311-V315 WeakPolarHBondContact O-CG2 3.44Å; Q311-V315 PolarHBondContact O-N 2.78Å; V315-F318 PolarHBondContact O-N 2.92Å; V315-K319 WeakPolarHBondContact O-CG 3.39Å; V315-K319 PolarHBondContact O-N 3.44Å
316	R	77.3	Confident	74.7	Confident	200 Å²	200	72.5 Å²	72.5	76%	0.755	37%	0.372	S	S	*	.	H	α-helix	trans	-65	-39.9	176.3	-174.3	173.5	179.9	144.2	-0.4	112.1	T312 F313 I314 L320	T312-R316 VanDerWaalsContact O-CB 3.27Å; T312-R316 WeakPolarHBondContact O-CB 3.44Å; T312-R316 PolarHBondContact O-N 2.92Å; F313-R316 PolarHBondContact O-N 3.44Å; I314-R316 VanDerWaalsContact C-N 3.32Å; I314-R316 PolarHBondContact O-N 3.48Å; R316-L320 PolarHBondContact O-N 2.99Å; R316-L320 VanDerWaalsContact O-N 3.11Å
317	K	73.1	Confident	74.7	Confident	108 Å²	108	71.8 Å²	71.8	47%	0.47	37%	0.367	S	S	.	.	H	α-helix	trans	-66.2	-43.1	175	-76	-71.6	-174.1	176.6	0	111.3	F313 I314 K319 L320 T321	F313-K317 HydrophobicContact CD1-CG 4.18Å; F313-K317 HydrophobicContact CE1-CG 3.82Å; F313-K317 HydrophobicContact CE2-CG 4.35Å; F313-K317 HydrophobicContact CZ-CD 4.25Å; F313-K317 HydrophobicContact CZ-CG 3.93Å; F313-K317 WeakPolarHBondContact O-CB 3.4Å; F313-K317 WeakPolarHBondContact O-CG 3.4Å; F313-K317 PolarHBondContact O-N 2.93Å; I314-K317 PolarHBondContact O-N 3.05Å; K317-K319 PolarHBondContact O-N 3.4Å; K317-L320 WeakPolarHBondContact O-CB 3.47Å; K317-L320 PolarHBondContact O-N 2.87Å; K317-L320 VanDerWaalsContact O-N 3.12Å; K317-T321 PolarHBondContact O-N 3Å; K317-T321 PolarHBondContact O-OG1 3.45Å
318	F	72.9	Confident	74.8	Confident	10 Å²	10	75.2 Å²	75.2	4%	0.044	38%	0.383	C	S	.	.	H	α-helix	trans	-58.4	-47.3	175.2	-177.9	-86.2	0	0	0	112.3	T263 N282 L283 Q286 I314 V315 L320 T321 T322	T263-F318 HydrophobicContact CG2-CD2 3.5Å; T263-F318 HydrophobicContact CG2-CE2 3.16Å; T263-F318 HydrophobicContact CG2-CZ 4.29Å; N282-F318 WeakPolarHBondContact OD1-CE2 3.31Å; L283-F318 HydrophobicContact CB-CE1 3.77Å; L283-F318 HydrophobicContact CB-CZ 3.89Å; L283-F318 HydrophobicContact CD1-CD1 4.01Å; L283-F318 HydrophobicContact CD1-CE1 3.58Å; L283-F318 HydrophobicContact CD1-CZ 4.43Å; L283-F318 HydrophobicContact CG-CE1 4.16Å; Q286-F318 VanDerWaalsContact NE2-CD2 3.25Å; I314-F318 WeakPolarHBondContact O-CB 3.36Å; I314-F318 PolarHBondContact O-N 3.47Å; V315-F318 PolarHBondContact O-N 2.92Å; F318-L320 VanDerWaalsContact C-N 3.26Å; F318-L320 PolarHBondContact O-N 3.36Å; F318-T321 PolarHBondContact O-N 2.95Å; F318-T322 HydrophobicContact CD1-CG2 4.01Å; F318-T322 HydrophobicContact CE1-CG2 3.48Å; F318-T322 VanDerWaalsContact CE1-CG2 3.48Å; F318-T322 HydrophobicContact CE2-CG2 4.42Å; F318-T322 HydrophobicContact CZ-CG2 3.74Å; F318-T322 PolarHBondContact O-N 2.99Å; F318-T322 PolarHBondContact O-OG1 3.35Å
319	K	72.7	Confident	74.8	Confident	126 Å²	126	75.7 Å²	75.7	55%	0.548	38%	0.383	S	S	.	.	H	α-helix	trans	-56.9	-40.6	174.2	-74.6	-177.9	-178.9	-177.2	0	111.8	V315 K317 T322 C323	V315-K319 WeakPolarHBondContact O-CG 3.39Å; V315-K319 PolarHBondContact O-N 3.44Å; K317-K319 PolarHBondContact O-N 3.4Å; K319-T322 WeakPolarHBondContact CA-OG1 3.32Å; K319-T322 PolarHBondContact O-OG1 3.11Å; K319-C323 VanDerWaalsContact O-CB 3.31Å; K319-C323 WeakPolarHBondContact O-CB 3.42Å; K319-C323 PolarHBondContact O-N 2.67Å; K319-C323 PolarHBondContact O-SG 3.48Å
320	L	78.8	Confident	74.8	Confident	97 Å²	97	75.1 Å²	75.1	51%	0.508	39%	0.385	S	S	.	.	H	α-helix	trans	-67	-45.8	177.4	-174.3	63.8	0	0	0	112	R316 K317 F318 C323 I324	R316-L320 PolarHBondContact O-N 2.99Å; R316-L320 VanDerWaalsContact O-N 3.11Å; K317-L320 WeakPolarHBondContact O-CB 3.47Å; K317-L320 PolarHBondContact O-N 2.87Å; K317-L320 VanDerWaalsContact O-N 3.12Å; F318-L320 VanDerWaalsContact C-N 3.26Å; F318-L320 PolarHBondContact O-N 3.36Å; L320-C323 PolarHBondContact O-N 3.18Å; L320-I324 HydrophobicContact CD1-CD1 4.34Å; L320-I324 HydrophobicContact CG-CD1 4Å; L320-I324 VanDerWaalsContact O-CG1 3.26Å; L320-I324 WeakPolarHBondContact O-CG1 3.43Å; L320-I324 PolarHBondContact O-N 2.99Å
321	T	72.6	Confident	74.9	Confident	53 Å²	53	79.4 Å²	79.4	33%	0.325	40%	0.395	S	S	.	.	H	α-helix	trans	-63	-43.5	179.1	-46	0	0	0	0	111.5	F267 K317 F318 I324 F325	F267-T321 HydrophobicContact CE2-CG2 4.36Å; F267-T321 HydrophobicContact CZ-CG2 4.12Å; K317-T321 PolarHBondContact O-N 3Å; K317-T321 PolarHBondContact O-OG1 3.45Å; F318-T321 PolarHBondContact O-N 2.95Å; T321-I324 PolarHBondContact O-N 3.46Å; T321-F325 WeakPolarHBondContact O-CB 3.43Å; T321-F325 PolarHBondContact O-N 2.97Å
322	T	71.6	Confident	75	Confident	30 Å²	30	83.7 Å²	83.7	18%	0.184	42%	0.418	C	S	.	.	H	α-helix	trans	-65.5	-40	175.3	45.1	0	0	0	0	112.4	L279 F318 K319 F325 C326	L279-T322 HydrophobicContact CD2-CG2 4.14Å; F318-T322 HydrophobicContact CD1-CG2 4.01Å; F318-T322 HydrophobicContact CE1-CG2 3.48Å; F318-T322 VanDerWaalsContact CE1-CG2 3.48Å; F318-T322 HydrophobicContact CE2-CG2 4.42Å; F318-T322 HydrophobicContact CZ-CG2 3.74Å; F318-T322 PolarHBondContact O-N 2.99Å; F318-T322 PolarHBondContact O-OG1 3.35Å; K319-T322 WeakPolarHBondContact CA-OG1 3.32Å; K319-T322 PolarHBondContact O-OG1 3.11Å; T322-F325 PolarHBondContact O-N 2.97Å; T322-C326 WeakPolarHBondContact O-CB 3.43Å; T322-C326 PolarHBondContact O-N 3.34Å; T322-C326 PolarHBondContact O-SG 3.41Å
323	C	77.6	Confident	75.1	Confident	83 Å²	83	83.6 Å²	83.6	56%	0.561	41%	0.411	S	S	*	.	H	α-helix	trans	-61.4	-43.9	172.5	-76.7	0	0	0	0	112.3	K319 L320 C326 S327	K319-C323 VanDerWaalsContact O-CB 3.31Å; K319-C323 WeakPolarHBondContact O-CB 3.42Å; K319-C323 PolarHBondContact O-N 2.67Å; K319-C323 PolarHBondContact O-SG 3.48Å; L320-C323 PolarHBondContact O-N 3.18Å; C323-C326 PolarHBondContact O-N 3.28Å; C323-S327 WeakPolarHBondContact O-CB 3.1Å; C323-S327 PolarHBondContact O-N 3.38Å
324	I	78	Confident	75.1	Confident	81 Å²	81	80.8 Å²	80.8	42%	0.415	41%	0.405	S	S	.	.	H	α-helix	trans	-62.2	-46.8	176.7	-68.1	164.9	0	0	0	109.8	L320 T321 S327 Q328	L320-I324 HydrophobicContact CD1-CD1 4.34Å; L320-I324 HydrophobicContact CG-CD1 4Å; L320-I324 VanDerWaalsContact O-CG1 3.26Å; L320-I324 WeakPolarHBondContact O-CG1 3.43Å; L320-I324 PolarHBondContact O-N 2.99Å; T321-I324 PolarHBondContact O-N 3.46Å; I324-S327 PolarHBondContact O-N 3.07Å; I324-S327 PolarHBondContact O-OG 3.12Å; I324-Q328 WeakPolarHBondContact O-CG 3.28Å; I324-Q328 PolarHBondContact O-N 3.21Å
325	F	74.2	Confident	75.2	Confident	20 Å²	20	83 Å²	83	9%	0.088	42%	0.417	C	S	.	.	H	α-helix	trans	-58.7	-50.4	177.2	-175.7	-94.9	0	0	0	112	F267 A275 L279 T321 T322 S327 Q328 V329	F267-F325 HydrophobicContact CD1-CD2 4.22Å; F267-F325 AromaticContact CE1-CD2 3.98Å; F267-F325 HydrophobicContact CE1-CD2 3.98Å; A275-F325 HydrophobicContact CB-CE1 3.84Å; A275-F325 HydrophobicContact CB-CE2 4.46Å; A275-F325 HydrophobicContact CB-CZ 3.42Å; A275-F325 VanDerWaalsContact CB-CZ 3.42Å; L279-F325 HydrophobicContact CD1-CD1 3.37Å; L279-F325 HydrophobicContact CD1-CE1 3.67Å; L279-F325 HydrophobicContact CD1-CG 3.92Å; L279-F325 HydrophobicContact CD1-CZ 4.44Å; T321-F325 WeakPolarHBondContact O-CB 3.43Å; T321-F325 PolarHBondContact O-N 2.97Å; T322-F325 PolarHBondContact O-N 2.97Å; F325-S327 VanDerWaalsContact C-N 3.27Å; F325-S327 PolarHBondContact O-N 2.99Å; F325-Q328 PolarHBondContact O-N 3.5Å; F325-Q328 VanDerWaalsContact O-N 3.12Å; F325-V329 HydrophobicContact CD1-CG2 4.09Å; F325-V329 HydrophobicContact CE1-CG2 3.63Å; F325-V329 HydrophobicContact CE2-CG2 4.47Å; F325-V329 HydrophobicContact CZ-CG2 3.82Å; F325-V329 WeakPolarHBondContact O-CG2 3.34Å; F325-V329 PolarHBondContact O-N 2.95Å
326	C	74	Confident	75.3	Confident	67 Å²	67	83.1 Å²	83.1	45%	0.453	42%	0.421	S	S	.	.	H	α-helix	trans	-57.4	-39.9	175.5	-77.6	0	0	0	0	112.1	T322 C323 Q328 V329 L330	T322-C326 WeakPolarHBondContact O-CB 3.43Å; T322-C326 PolarHBondContact O-N 3.34Å; T322-C326 PolarHBondContact O-SG 3.41Å; C323-C326 PolarHBondContact O-N 3.28Å; C326-Q328 PolarHBondContact O-N 3.05Å; C326-V329 PolarHBondContact O-N 3.22Å; C326-L330 WeakPolarHBondContact O-CB 3.44Å; C326-L330 VanDerWaalsContact O-CG 3.28Å; C326-L330 WeakPolarHBondContact O-CG 3.35Å; C326-L330 PolarHBondContact O-N 3.23Å
327	S	78.4	Confident	75.2	Confident	50 Å²	50	78.9 Å²	78.9	35%	0.35	41%	0.413	S	S	.	.	H	α-helix	trans	-66.2	-36.5	177.8	79.3	0	0	0	0	112.9	C323 I324 F325 R331	C323-S327 WeakPolarHBondContact O-CB 3.1Å; C323-S327 PolarHBondContact O-N 3.38Å; I324-S327 PolarHBondContact O-N 3.07Å; I324-S327 PolarHBondContact O-OG 3.12Å; F325-S327 VanDerWaalsContact C-N 3.27Å; F325-S327 PolarHBondContact O-N 2.99Å; S327-R331 WeakPolarHBondContact O-CG 3.37Å; S327-R331 PolarHBondContact O-N 3.49Å
328	Q	77.4	Confident	75.1	Confident	96 Å²	96	82.6 Å²	82.6	45%	0.449	42%	0.424	S	S	.	.	H	α-helix	trans	-69.1	-44.2	176.4	-73.3	-179.4	-22.9	0	0	111.1	I324 F325 C326 L330 R331 I332	I324-Q328 WeakPolarHBondContact O-CG 3.28Å; I324-Q328 PolarHBondContact O-N 3.21Å; F325-Q328 PolarHBondContact O-N 3.5Å; F325-Q328 VanDerWaalsContact O-N 3.12Å; C326-Q328 PolarHBondContact O-N 3.05Å; Q328-L330 PolarHBondContact O-N 3.29Å; Q328-R331 PolarHBondContact O-N 2.95Å; Q328-I332 WeakPolarHBondContact O-CG1 3.35Å; Q328-I332 PolarHBondContact O-N 3.45Å
329	V	73.5	Confident	75	Confident	21 Å²	21	84.7 Å²	84.7	13%	0.127	44%	0.44	C	S	.	.	H	α-helix	trans	-59.8	-46.9	175.5	170.1	0	0	0	0	111.3	T272 F325 C326 R331 I332 Q333	T272-V329 HydrophobicContact CG2-CB 4.47Å; T272-V329 HydrophobicContact CG2-CG1 3.36Å; T272-V329 HydrophobicContact CG2-CG2 4.26Å; F325-V329 HydrophobicContact CD1-CG2 4.09Å; F325-V329 HydrophobicContact CE1-CG2 3.63Å; F325-V329 HydrophobicContact CE2-CG2 4.47Å; F325-V329 HydrophobicContact CZ-CG2 3.82Å; F325-V329 WeakPolarHBondContact O-CG2 3.34Å; F325-V329 PolarHBondContact O-N 2.95Å; C326-V329 PolarHBondContact O-N 3.22Å; V329-R331 VanDerWaalsContact C-N 3.3Å; V329-R331 PolarHBondContact O-N 3.42Å; V329-I332 PolarHBondContact O-N 2.98Å; V329-Q333 WeakPolarHBondContact O-CG 3.41Å; V329-Q333 PolarHBondContact O-N 3.28Å
330	L	75.5	Confident	74.6	Confident	113 Å²	113	81.8 Å²	81.8	59%	0.592	44%	0.436	S	S	*	.	H	α-helix	trans	-62.2	-37.1	177.6	-74.4	170.2	0	0	0	112	C326 Q328 S334	C326-L330 WeakPolarHBondContact O-CB 3.44Å; C326-L330 VanDerWaalsContact O-CG 3.28Å; C326-L330 WeakPolarHBondContact O-CG 3.35Å; C326-L330 PolarHBondContact O-N 3.23Å; Q328-L330 PolarHBondContact O-N 3.29Å; L330-S334 WeakPolarHBondContact O-CB 3.5Å; L330-S334 PolarHBondContact O-N 2.93Å
331	R	78.2	Confident	73.7	Confident	176 Å²	176	82.7 Å²	82.7	66%	0.664	43%	0.433	S	S	*	.	H	α-helix	trans	-63.6	-49.2	174.2	-78.2	-178.2	-168.9	-156	4.1	111.8	S327 Q328 V329 Q333 S334 D335	S327-R331 WeakPolarHBondContact O-CG 3.37Å; S327-R331 PolarHBondContact O-N 3.49Å; Q328-R331 PolarHBondContact O-N 2.95Å; V329-R331 VanDerWaalsContact C-N 3.3Å; V329-R331 PolarHBondContact O-N 3.42Å; R331-Q333 VanDerWaalsContact C-N 3.3Å; R331-Q333 PolarHBondContact O-N 2.73Å; R331-S334 PolarHBondContact O-N 3.06Å; R331-S334 PolarHBondContact O-OG 2.92Å; R331-D335 PolarHBondContact O-N 3.4Å
332	I	74.7	Confident	73.3	Confident	118 Å²	118	83.2 Å²	83.2	61%	0.605	44%	0.439	S	S	*	.	H	α-helix	trans	-58.7	-42.7	178.9	-66.1	165.3	0	0	0	110.8	Q328 V329 D335 S336	Q328-I332 WeakPolarHBondContact O-CG1 3.35Å; Q328-I332 PolarHBondContact O-N 3.45Å; V329-I332 PolarHBondContact O-N 2.98Å; I332-D335 PolarHBondContact O-N 2.98Å; I332-S336 WeakPolarHBondContact O-CB 3.49Å; I332-S336 PolarHBondContact O-N 3.35Å; I332-S336 PolarHBondContact O-OG 2.94Å
333	Q	75	Confident	72.9	Confident	91 Å²	91	86.7 Å²	86.7	43%	0.425	46%	0.457	S	S	.	.	H	α-helix	trans	-67	-36.1	175.5	-73.2	-177.5	-30.1	0	0	113	V329 R331 S336 N337	V329-Q333 WeakPolarHBondContact O-CG 3.41Å; V329-Q333 PolarHBondContact O-N 3.28Å; R331-Q333 VanDerWaalsContact C-N 3.3Å; R331-Q333 PolarHBondContact O-N 2.73Å; Q333-S336 WeakPolarHBondContact CA-OG 3.48Å; Q333-S336 PolarHBondContact O-OG 2.8Å; Q333-N337 VanDerWaalsContact O-CB 3.31Å; Q333-N337 WeakPolarHBondContact O-CB 3.37Å; Q333-N337 VanDerWaalsContact O-CG 3.31Å; Q333-N337 PolarHBondContact O-N 2.89Å; Q333-N337 PolarHBondContact O-ND2 3.44Å
334	S	76.5	Confident	72.1	Confident	54 Å²	54	85.3 Å²	85.3	38%	0.378	45%	0.448	S	S	.	.	H	α-helix	trans	-68.1	-36.6	176.2	76.8	0	0	0	0	112.3	L330 R331 R338	L330-S334 WeakPolarHBondContact O-CB 3.5Å; L330-S334 PolarHBondContact O-N 2.93Å; R331-S334 PolarHBondContact O-N 3.06Å; R331-S334 PolarHBondContact O-OG 2.92Å; S334-R338 WeakPolarHBondContact O-CB 3.36Å; S334-R338 WeakPolarHBondContact O-CG 3.31Å; S334-R338 PolarHBondContact O-N 3.4Å
335	D	76.4	Confident	71.2	Confident	96 Å²	96	84 Å²	84	51%	0.513	45%	0.445	S	S	.	.	H	α-helix	trans	-73.8	-37.6	177.1	-74	-24.6	0	0	0	111.7	R331 I332 R338 S339	R331-D335 PolarHBondContact O-N 3.4Å; I332-D335 PolarHBondContact O-N 2.98Å; D335-R338 PolarHBondContact O-N 2.95Å; D335-S339 WeakPolarHBondContact O-CB 3.3Å; D335-S339 PolarHBondContact O-N 2.79Å; D335-S339 PolarHBondContact O-OG 2.97Å
336	S	73.9	Confident	70.6	Confident	55 Å²	55	86.9 Å²	86.9	39%	0.385	47%	0.473	S	S	.	.	H	α-helix	trans	-66.5	-37.8	172.5	71.5	0	0	0	0	112.1	I332 Q333 S339 S340	I332-S336 WeakPolarHBondContact O-CB 3.49Å; I332-S336 PolarHBondContact O-N 3.35Å; I332-S336 PolarHBondContact O-OG 2.94Å; Q333-S336 WeakPolarHBondContact CA-OG 3.48Å; Q333-S336 PolarHBondContact O-OG 2.8Å; S336-S339 VanDerWaalsContact CA-OG 3.31Å; S336-S339 WeakPolarHBondContact CA-OG 3.42Å; S336-S339 PolarHBondContact O-OG 2.92Å; S336-S340 VanDerWaalsContact O-CB 3.3Å; S336-S340 WeakPolarHBondContact O-CB 3.45Å; S336-S340 PolarHBondContact O-N 2.95Å; S336-S340 PolarHBondContact O-OG 2.86Å
337	N	73.4	Confident	70.2	Confident	112 Å²	112	90.3 Å²	90.3	60%	0.599	49%	0.487	S	S	*	.	H	α-helix	trans	-69.6	-41.2	173.7	-78.7	-19.9	0	0	0	112.1	Q333 S340 Y341	Q333-N337 VanDerWaalsContact O-CB 3.31Å; Q333-N337 WeakPolarHBondContact O-CB 3.37Å; Q333-N337 VanDerWaalsContact O-CG 3.31Å; Q333-N337 PolarHBondContact O-N 2.89Å; Q333-N337 PolarHBondContact O-ND2 3.44Å; N337-S340 PolarHBondContact O-N 2.94Å; N337-Y341 WeakPolarHBondContact O-CB 3.32Å; N337-Y341 PolarHBondContact O-N 2.81Å
338	R	71.4	Confident	69.2	Low	185 Å²	185	91.2 Å²	91.2	70%	0.698	50%	0.504	S	S	*	.	H	α-helix	trans	-62.5	-44.4	174.7	-88.7	-179.3	173.4	178.7	-1.6	112	S334 D335 Y341 S342	S334-R338 WeakPolarHBondContact O-CB 3.36Å; S334-R338 WeakPolarHBondContact O-CG 3.31Å; S334-R338 PolarHBondContact O-N 3.4Å; D335-R338 PolarHBondContact O-N 2.95Å; R338-Y341 PolarHBondContact O-N 3.33Å; R338-S342 WeakPolarHBondContact O-CB 3.29Å; R338-S342 PolarHBondContact O-N 3.4Å; R338-S342 PolarHBondContact O-OG 2.88Å
339	S	70.5	Confident	67.9	Low	54 Å²	54	96 Å²	96	38%	0.378	52%	0.518	S	S	.	.	H	α-helix	trans	-66.7	-38	177	53	0	0	0	0	112.3	D335 S336 S342 N343	D335-S339 WeakPolarHBondContact O-CB 3.3Å; D335-S339 PolarHBondContact O-N 2.79Å; D335-S339 PolarHBondContact O-OG 2.97Å; S336-S339 VanDerWaalsContact CA-OG 3.31Å; S336-S339 WeakPolarHBondContact CA-OG 3.42Å; S336-S339 PolarHBondContact O-OG 2.92Å; S339-S342 WeakPolarHBondContact CA-OG 3.37Å; S339-S342 PolarHBondContact O-OG 3.48Å; S339-N343 VanDerWaalsContact O-CB 3.26Å; S339-N343 WeakPolarHBondContact O-CB 3.31Å; S339-N343 PolarHBondContact O-N 3.47Å; S339-N343 PolarHBondContact O-ND2 3.41Å
340	S	65.5	Low	66.8	Low	65 Å²	65	104.4 Å²	104.4	46%	0.455	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-39.3	172.6	-61	0	0	0	0	112.5	S336 N337 S344	S336-S340 VanDerWaalsContact O-CB 3.3Å; S336-S340 WeakPolarHBondContact O-CB 3.45Å; S336-S340 PolarHBondContact O-N 2.95Å; S336-S340 PolarHBondContact O-OG 2.86Å; N337-S340 PolarHBondContact O-N 2.94Å; S340-S344 VanDerWaalsContact O-CB 3.29Å; S340-S344 WeakPolarHBondContact O-CB 3.26Å; S340-S344 PolarHBondContact O-N 3.28Å; S340-S344 PolarHBondContact O-OG 3.31Å
341	Y	60.4	Low	65.7	Low	116 Å²	116	102 Å²	102	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-70.9	-41	176.7	-154.6	-88.5	0	0	0	111.8	N337 R338 S344 C345 C351	N337-Y341 WeakPolarHBondContact O-CB 3.32Å; N337-Y341 PolarHBondContact O-N 2.81Å; R338-Y341 PolarHBondContact O-N 3.33Å; Y341-S344 PolarHBondContact O-N 2.86Å; Y341-C345 VanDerWaalsContact CE1-SG 3.54Å; Y341-C345 PolarHBondContact O-N 3.26Å; Y341-C351 HydrophobicContact CE1-CB 4.11Å
342	S	63.2	Low	64.3	Low	65 Å²	65	102 Å²	102	46%	0.455	55%	0.55	S	S	.	.	H	α-helix	trans	-64.1	-42.3	174.3	66.8	0	0	0	0	111.5	R338 S339 S344 C345 A346	R338-S342 WeakPolarHBondContact O-CB 3.29Å; R338-S342 PolarHBondContact O-N 3.4Å; R338-S342 PolarHBondContact O-OG 2.88Å; S339-S342 WeakPolarHBondContact CA-OG 3.37Å; S339-S342 PolarHBondContact O-OG 3.48Å; S342-S344 VanDerWaalsContact C-N 3.33Å; S342-S344 PolarHBondContact O-N 2.78Å; S342-C345 PolarHBondContact O-N 2.92Å; S342-A346 VanDerWaalsContact O-CB 3.28Å; S342-A346 WeakPolarHBondContact O-CB 3.22Å; S342-A346 PolarHBondContact O-N 3.33Å
343	N	63.2	Low	63	Low	102 Å²	102	103.6 Å²	103.6	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-66.1	-34.8	174.9	-72.2	-14.6	0	0	0	112	S339 N347	S339-N343 VanDerWaalsContact O-CB 3.26Å; S339-N343 WeakPolarHBondContact O-CB 3.31Å; S339-N343 PolarHBondContact O-N 3.47Å; S339-N343 PolarHBondContact O-ND2 3.41Å; N343-N347 WeakPolarHBondContact O-CB 3.39Å; N343-N347 PolarHBondContact O-N 3.24Å
344	S	60.3	Low	61.5	Low	54 Å²	54	104.9 Å²	104.9	38%	0.378	58%	0.575	S	S	.	*	H	α-helix	trans	-72.2	-39	176.6	-63.4	0	0	0	0	113.1	S340 Y341 S342 N347 G348 R349	S340-S344 VanDerWaalsContact O-CB 3.29Å; S340-S344 WeakPolarHBondContact O-CB 3.26Å; S340-S344 PolarHBondContact O-N 3.28Å; S340-S344 PolarHBondContact O-OG 3.31Å; Y341-S344 PolarHBondContact O-N 2.86Å; S342-S344 VanDerWaalsContact C-N 3.33Å; S342-S344 PolarHBondContact O-N 2.78Å; S344-N347 PolarHBondContact O-N 3.22Å; S344-G348 PolarHBondContact O-N 2.08Å; S344-R349 PolarHBondContact O-N 2.87Å
345	C	59	Low	59.8	Low	54 Å²	54	107 Å²	107	37%	0.365	60%	0.596	S	S	.	*	H	α-helix	trans	-71.2	-33.5	172.8	-64.3	0	0	0	0	111	Y341 S342 N347 G348 C351	Y341-C345 VanDerWaalsContact CE1-SG 3.54Å; Y341-C345 PolarHBondContact O-N 3.26Å; S342-C345 PolarHBondContact O-N 2.92Å; C345-N347 VanDerWaalsContact C-N 3.35Å; C345-G348 PolarHBondContact O-N 2.99Å; C345-C351 WeakPolarHBondContact CB-SG 3.28Å; C345-C351 WeakPolarHBondContact SG-CB 3.31Å; C345-C351 CovalentContact SG-SG 2.08Å; C345-C351 PolarHBondContact SG-SG 3.46Å
346	A	61.6	Low	58	Low	81 Å²	81	111.8 Å²	111.8	67%	0.669	62%	0.615	S	S	*	*	H	α-helix	trans	-65.8	-34.2	172.4	0	0	0	0	0	112.9	S342 G348	S342-A346 VanDerWaalsContact O-CB 3.28Å; S342-A346 WeakPolarHBondContact O-CB 3.22Å; S342-A346 PolarHBondContact O-N 3.33Å; A346-G348 VanDerWaalsContact C-N 3.27Å; A346-G348 PolarHBondContact O-N 3.5Å
347	N	66.2	Low	56.3	Low	139 Å²	139	124.5 Å²	124.5	74%	0.743	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	17.3	175.5	-75.7	-18.2	0	0	0	114.2	N343 S344 C345 R349	N343-N347 WeakPolarHBondContact O-CB 3.39Å; N343-N347 PolarHBondContact O-N 3.24Å; S344-N347 PolarHBondContact O-N 3.22Å; C345-N347 VanDerWaalsContact C-N 3.35Å; N347-R349 PolarHBondContact O-N 3.18Å
348	G	57.8	Low	55.4	Low	69 Å²	69	125.1 Å²	125.1	71%	0.711	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	77.7	18.1	165.2	0	0	0	0	0	117.1	S344 C345 A346	S344-G348 PolarHBondContact O-N 2.08Å; C345-G348 PolarHBondContact O-N 2.99Å; A346-G348 VanDerWaalsContact C-N 3.27Å; A346-G348 PolarHBondContact O-N 3.5Å
349	R	51	Low	54.6	Low	197 Å²	197	121.9 Å²	121.9	74%	0.743	66%	0.655	S	S	*	*			trans	-85.3	138.2	172.1	-67.8	-174.7	-177.8	-177	1.3	111.1	S344 N347 C351	S344-R349 PolarHBondContact O-N 2.87Å; N347-R349 PolarHBondContact O-N 3.18Å; R349-C351 PolarHBondContact O-N 3.37Å; R349-C351 PolarHBondContact O-SG 3.31Å
350	K	48.7	Very low	53.7	Low	196 Å²	196	125.7 Å²	125.7	85%	0.852	67%	0.671	S	S	*	*			trans	-58.7	116.2	-178.4	-77.7	-178.6	177.3	178.2	0	111.6
351	C	53.8	Low	53	Low	62 Å²	62	129.3 Å²	129.3	42%	0.419	68%	0.684	S	S	.	*			trans	-90.1	102.7	177.7	-51.6	0	0	0	0	109.1	Y341 C345 R349	Y341-C351 HydrophobicContact CE1-CB 4.11Å; C345-C351 WeakPolarHBondContact CB-SG 3.28Å; C345-C351 WeakPolarHBondContact SG-CB 3.31Å; C345-C351 CovalentContact SG-SG 2.08Å; C345-C351 PolarHBondContact SG-SG 3.46Å; R349-C351 PolarHBondContact O-N 3.37Å; R349-C351 PolarHBondContact O-SG 3.31Å
352	F	47.7	Very low	52.5	Low	176 Å²	176	130.1 Å²	130.1	77%	0.772	70%	0.698	S	S	*	*			trans	-85.8	112.9	164.9	-85.4	-86.4	0	0	0	107.9
353	L	47.9	Very low	51.8	Low	152 Å²	152	134.5 Å²	134.5	80%	0.796	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-62	132.7	162.8	-76.9	159.5	0	0	0	108.1	A355	L353-A355 PolarHBondContact O-N 3.27Å
354	P	44.3	Very low	51	Low	118 Å²	118	136.8 Å²	136.8	77%	0.766	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-64.3	120.2	164.9	25.9	-28.3	0	0	0	107.5	Q356	P354-Q356 PolarHBondContact O-N 3.23Å
355	A	40.8	Very low	50.3	Low	99 Å²	99	143.2 Å²	143.2	82%	0.818	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-55.6	123.3	179.1	0	0	0	0	0	109.7	L353 R357	L353-A355 PolarHBondContact O-N 3.27Å; A355-R357 PolarHBondContact O-N 3.47Å
356	Q	38.7	Very low	49.6	Very low	197 Å²	197	150.6 Å²	150.6	92%	0.921	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-63	118.2	164.1	-74.1	-166.5	-40.6	0	0	108.4	P354	P354-Q356 PolarHBondContact O-N 3.23Å
357	R	36.8	Very low	48.5	Very low	321 Å²	321	156.9 Å²	156.9	100%	1.211	80%	0.796	S	S	*	*			trans	-134.5	0	151.4	-112.2	-171.7	-173.8	-174	2.6	108.7	A355	A355-R357 PolarHBondContact O-N 3.47Å

Retrieved 357 of 357 residues in 2357.2 ms (Link to these results)

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