A0A077ZHG3_TRITR Loading...

Deoxyribonuclease (DNase) II

AlphaFold DB , UniProt , Accession A0A077ZHG3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 339 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	33.7	Very low	29.6	Very low	254 Å²	254	152.9 Å²	152.9	100%	1.251	80%	0.795	S	S	*	*				0	128.4	0	-98.7	170.1	-177.7	0	0	107.9
2	S	31	Very low	29.3	Very low	105 Å²	105	149.1 Å²	149.1	73%	0.734	78%	0.783	S	S	*	*			trans	-103.4	161.3	-165.2	-178.8	0	0	0	0	110.9
3	L	32.4	Very low	29	Very low	149 Å²	149	144.8 Å²	144.8	78%	0.78	77%	0.767	S	S	*	*			trans	76.3	138.9	176.7	-70.9	99.8	0	0	0	117.4
4	R	30.4	Very low	28.6	Very low	221 Å²	221	143.7 Å²	143.7	83%	0.834	76%	0.761	S	S	*	*			cis	178.6	127.5	-26.1	-116.5	-179.6	-174.2	-153.3	2.6	103.6
5	T	29.5	Very low	28.2	Very low	127 Å²	127	144.3 Å²	144.3	78%	0.779	76%	0.763	S	S	*	*			trans	-47.7	133.4	166.1	17.2	0	0	0	0	112.4
6	I	33.2	Very low	28.1	Very low	151 Å²	151	143.5 Å²	143.5	77%	0.774	75%	0.752	S	S	*	*			trans	-113.5	104.4	162.6	-62.8	175.8	0	0	0	107.5	S8	I6-S8 WeakPolarHBondContact CG2-OG 3.32Å
7	W	25.1	Very low	27.9	Very low	211 Å²	211	139.8 Å²	139.8	80%	0.799	74%	0.736	S	S	*	*			trans	-82.5	126.3	157.9	-82.4	45.3	0	0	0	107.5	T9	W7-T9 HydrophobicContact CE3-CG2 4.28Å
8	S	29.2	Very low	27.7	Very low	98 Å²	98	138.4 Å²	138.4	69%	0.685	73%	0.725	S	S	*	*			trans	-126	64.5	166.5	-53.4	0	0	0	0	109.1	I6 V10	I6-S8 WeakPolarHBondContact CG2-OG 3.32Å; S8-V10 VanDerWaalsContact C-N 3.3Å; S8-V10 PolarHBondContact O-N 3.18Å; S8-V10 VanDerWaalsContact O-N 3.14Å
9	T	26.9	Very low	27.5	Very low	106 Å²	106	134.2 Å²	134.2	65%	0.65	71%	0.706	S	S	*	*			trans	-70.7	90.3	156.6	43.6	0	0	0	0	107.8	W7 L11	W7-T9 HydrophobicContact CE3-CG2 4.28Å; T9-L11 PolarHBondContact O-N 2.68Å; T9-L11 VanDerWaalsContact O-N 3.08Å
10	V	28.3	Very low	27.5	Very low	122 Å²	122	131.6 Å²	131.6	74%	0.739	69%	0.692	S	S	*	*			trans	-82.8	77.2	163.4	177.2	0	0	0	0	106.8	S8 V12	S8-V10 VanDerWaalsContact C-N 3.3Å; S8-V10 PolarHBondContact O-N 3.18Å; S8-V10 VanDerWaalsContact O-N 3.14Å; V10-V12 VanDerWaalsContact C-N 3.28Å; V10-V12 HydrophobicContact CG1-CG2 3.67Å; V10-V12 PolarHBondContact O-N 3.18Å
11	L	25.5	Very low	27.5	Very low	138 Å²	138	126.6 Å²	126.6	72%	0.723	67%	0.669	S	S	*	*			trans	-78.4	81.3	164.8	-161.8	91.9	0	0	0	106.4	T9 T13	T9-L11 PolarHBondContact O-N 2.68Å; T9-L11 VanDerWaalsContact O-N 3.08Å; L11-T13 HydrophobicContact CD2-CG2 3.96Å; L11-T13 HydrophobicContact CG-CG2 4.24Å; L11-T13 PolarHBondContact O-N 3.41Å
12	V	26.1	Very low	27.4	Very low	107 Å²	107	122.4 Å²	122.4	65%	0.648	64%	0.644	S	S	*	*			trans	-79.8	80.2	162.4	-178	0	0	0	0	106.3	V10 L14	V10-V12 VanDerWaalsContact C-N 3.28Å; V10-V12 HydrophobicContact CG1-CG2 3.67Å; V10-V12 PolarHBondContact O-N 3.18Å; V12-L14 HydrophobicContact CG1-CG 4.19Å; V12-L14 PolarHBondContact O-N 3.09Å
13	T	25.7	Very low	27.4	Very low	93 Å²	93	118.7 Å²	118.7	57%	0.571	62%	0.622	S	S	*	*			trans	-57.8	96.8	153.1	31.4	0	0	0	0	107	L11 L15	L11-T13 HydrophobicContact CD2-CG2 3.96Å; L11-T13 HydrophobicContact CG-CG2 4.24Å; L11-T13 PolarHBondContact O-N 3.41Å; T13-L15 PolarHBondContact O-N 2.72Å
14	L	23.6	Very low	27.7	Very low	130 Å²	130	113.6 Å²	113.6	68%	0.681	60%	0.595	S	S	*	*			trans	-63.3	85.6	159.7	-80.2	164.3	0	0	0	107.2	V12 F16	V12-L14 HydrophobicContact CG1-CG 4.19Å; V12-L14 PolarHBondContact O-N 3.09Å; L14-F16 HydrophobicContact CB-CD2 4.05Å; L14-F16 HydrophobicContact CB-CE2 4.11Å; L14-F16 HydrophobicContact CD1-CE2 4.24Å; L14-F16 HydrophobicContact CD2-CD2 4.31Å; L14-F16 HydrophobicContact CD2-CE2 3.63Å; L14-F16 HydrophobicContact CD2-CZ 4.11Å; L14-F16 HydrophobicContact CG-CE2 4.2Å; L14-F16 PolarHBondContact O-N 2.75Å
15	L	22.2	Very low	28	Very low	153 Å²	153	105.4 Å²	105.4	80%	0.801	57%	0.566	S	S	*	*			trans	-70.6	81.8	160.6	-77.4	161.4	0	0	0	106.7	T13 T17	T13-L15 PolarHBondContact O-N 2.72Å; L15-T17 PolarHBondContact O-N 3.11Å
16	F	26.9	Very low	28.7	Very low	131 Å²	131	101.5 Å²	101.5	58%	0.575	54%	0.54	S	S	*	.			trans	-77	106.1	159.5	-80	-73.3	0	0	0	107.8	L14 Q18	L14-F16 HydrophobicContact CB-CD2 4.05Å; L14-F16 HydrophobicContact CB-CE2 4.11Å; L14-F16 HydrophobicContact CD1-CE2 4.24Å; L14-F16 HydrophobicContact CD2-CD2 4.31Å; L14-F16 HydrophobicContact CD2-CE2 3.63Å; L14-F16 HydrophobicContact CD2-CZ 4.11Å; L14-F16 HydrophobicContact CG-CE2 4.2Å; L14-F16 PolarHBondContact O-N 2.75Å; F16-Q18 PolarHBondContact O-N 2.71Å
17	T	24.4	Very low	29.2	Very low	80 Å²	80	98.9 Å²	98.9	49%	0.491	53%	0.528	S	S	.	.			trans	-47	123.3	166.9	37.7	0	0	0	0	110.5	L15 V19	L15-T17 PolarHBondContact O-N 3.11Å; T17-V19 PolarHBondContact O-N 3.38Å; T17-V19 VanDerWaalsContact O-N 3.15Å
18	Q	24.3	Very low	30.1	Very low	115 Å²	115	89.8 Å²	89.8	54%	0.537	49%	0.494	S	S	.	.			trans	-69.2	103.2	167.1	-67.6	179.8	-0.7	0	0	107.9	F16 S227 G228	F16-Q18 PolarHBondContact O-N 2.71Å; Q18-S227 PolarHBondContact NE2-O 3.47Å; Q18-G228 VanDerWaalsContact NE2-CA 3.29Å
19	V	24.6	Very low	31	Very low	59 Å²	59	86 Å²	86	36%	0.358	47%	0.465	S	S	.	.			trans	-96.2	103.2	169.2	-179.1	0	0	0	0	107.2	T17 I203	T17-V19 PolarHBondContact O-N 3.38Å; T17-V19 VanDerWaalsContact O-N 3.15Å; V19-I203 VanDerWaalsContact O-O 3.08Å
20	I	27	Very low	32.2	Very low	82 Å²	82	86.7 Å²	86.7	42%	0.421	46%	0.461	S	S	.	.			trans	-93.3	98.2	171.7	-59.8	167.6	0	0	0	106.4	K22 L225	I20-K22 HydrophobicContact CG2-CB 4.26Å; I20-K22 PolarHBondContact O-N 3.49Å; I20-K22 VanDerWaalsContact O-N 3.1Å; I20-L225 WeakPolarHBondContact CD1-O 3.41Å; I20-L225 WeakPolarHBondContact CG1-O 3.44Å
21	A	26.9	Very low	33.3	Very low	27 Å²	27	82.4 Å²	82.4	22%	0.223	43%	0.434	C	S	.	.			trans	-74.9	98.4	165.9	0	0	0	0	0	108.4	Y204 A205	A21-Y204 WeakPolarHBondContact CB-O 3.14Å; A21-A205 HydrophobicContact CB-CB 4.26Å
22	K	32	Very low	34.5	Very low	165 Å²	165	76.9 Å²	76.9	72%	0.717	41%	0.405	S	S	*	.			trans	-98.6	126.7	178.4	-152	-178.4	-178.4	-172	0	108.1	I20	I20-K22 HydrophobicContact CG2-CB 4.26Å; I20-K22 PolarHBondContact O-N 3.49Å; I20-K22 VanDerWaalsContact O-N 3.1Å
23	G	31.2	Very low	35.8	Very low	27 Å²	27	75 Å²	75	28%	0.278	39%	0.388	S	S	.	.	S	Bend	trans	137.7	-51	170.1	0	0	0	0	0	115.4	F25 D26	G23-F25 VanDerWaalsContact C-N 3.27Å; G23-F25 PolarHBondContact O-N 3.44Å; G23-D26 PolarHBondContact O-N 3.1Å; G23-D26 VanDerWaalsContact O-N 3.07Å
24	I	38.2	Very low	37.2	Very low	42 Å²	42	74.3 Å²	74.3	22%	0.215	38%	0.381	C	S	.	.	H	α-helix	trans	-62.9	-34.6	-168.2	-67	172.1	0	0	0	113.1	I163	I24-I163 HydrophobicContact CD1-CG2 3.13Å
25	F	38.2	Very low	38.6	Very low	49 Å²	49	73 Å²	73	22%	0.215	37%	0.369	C	S	.	.	H	α-helix	trans	-82.4	-30.1	179.1	-70.9	-78.5	0	0	0	112.3	G23 D27 Y28 I29 W112 A205 S207	G23-F25 VanDerWaalsContact C-N 3.27Å; G23-F25 PolarHBondContact O-N 3.44Å; F25-D27 PolarHBondContact O-N 3.17Å; F25-Y28 PolarHBondContact O-N 3.29Å; F25-I29 HydrophobicContact CB-CD1 4.28Å; F25-I29 WeakPolarHBondContact O-CB 3.48Å; F25-I29 WeakPolarHBondContact O-CD1 3.47Å; F25-I29 WeakPolarHBondContact O-CG1 3.36Å; F25-I29 PolarHBondContact O-N 3.49Å; F25-I29 VanDerWaalsContact O-N 3.12Å; F25-W112 HydrophobicContact CD1-CZ3 4.13Å; F25-W112 AromaticContact CE1-CH2 3.54Å; F25-W112 HydrophobicContact CE1-CH2 3.54Å; F25-W112 AromaticContact CE1-CZ3 3.47Å; F25-W112 HydrophobicContact CE1-CZ3 3.47Å; F25-W112 VanDerWaalsContact CE1-CZ3 3.47Å; F25-W112 HydrophobicContact CZ-CH2 4.17Å; F25-W112 HydrophobicContact CZ-CZ3 4.36Å; F25-A205 HydrophobicContact CE2-CB 4.03Å; F25-S207 WeakPolarHBondContact CB-OG 3.48Å
26	D	42.7	Very low	39.9	Very low	46 Å²	46	70.2 Å²	70.2	25%	0.246	35%	0.352	C	S	.	.	H	α-helix	trans	-67.1	-39.9	-172.6	-65	-26.6	0	0	0	111.6	G23 Y28 I29 E30 S207	G23-D26 PolarHBondContact O-N 3.1Å; G23-D26 VanDerWaalsContact O-N 3.07Å; D26-Y28 PolarHBondContact O-N 3.11Å; D26-I29 WeakPolarHBondContact O-CB 3.47Å; D26-I29 PolarHBondContact O-N 3.07Å; D26-I29 VanDerWaalsContact O-N 3.09Å; D26-E30 PolarHBondContact O-N 3.19Å; D26-S207 WeakPolarHBondContact OD1-CB 3.33Å; D26-S207 PolarHBondContact OD1-OG 3.15Å
27	D	44.4	Very low	41.1	Very low	96 Å²	96	69.3 Å²	69.3	51%	0.513	35%	0.348	S	S	.	.	H	α-helix	trans	-67.1	-36.6	178.6	-66.7	-14.5	0	0	0	112.9	F25 I29 D31	F25-D27 PolarHBondContact O-N 3.17Å; D27-I29 VanDerWaalsContact C-N 3.27Å; D27-I29 PolarHBondContact O-N 3.05Å; D27-D31 PolarHBondContact O-N 3.09Å
28	Y	43.6	Very low	42.4	Very low	20 Å²	20	72.2 Å²	72.2	8%	0.078	36%	0.356	C	S	.	.	H	α-helix	trans	-65.7	-36.1	172.6	176.9	-95.9	0	0	0	111.1	F25 D26 Q32 K55 Y56 W112 N115	F25-Y28 PolarHBondContact O-N 3.29Å; D26-Y28 PolarHBondContact O-N 3.11Å; Y28-Q32 HydrophobicContact CE1-CG 4.25Å; Y28-Q32 WeakPolarHBondContact O-CG 3.49Å; Y28-K55 PolarHBondContact OH-NZ 2.93Å; Y28-Y56 HydrophobicContact CE1-CE1 4.22Å; Y28-Y56 WeakPolarHBondContact CE1-OH 3.3Å; Y28-W112 HydrophobicContact CE1-CB 4.29Å; Y28-W112 HydrophobicContact CE2-CB 4.08Å; Y28-W112 WeakPolarHBondContact OH-CB 3.32Å; Y28-N115 HydrophobicContact CD2-CB 4.44Å; Y28-N115 HydrophobicContact CE2-CB 4.2Å
29	I	47.6	Very low	43.6	Very low	18 Å²	18	75 Å²	75	9%	0.092	37%	0.366	C	S	.	.	H	α-helix	trans	-69.4	-43.1	-176.4	-74.6	159.8	0	0	0	111.3	F25 D26 D27 R146 P209	F25-I29 HydrophobicContact CB-CD1 4.28Å; F25-I29 WeakPolarHBondContact O-CB 3.48Å; F25-I29 WeakPolarHBondContact O-CD1 3.47Å; F25-I29 WeakPolarHBondContact O-CG1 3.36Å; F25-I29 PolarHBondContact O-N 3.49Å; F25-I29 VanDerWaalsContact O-N 3.12Å; D26-I29 WeakPolarHBondContact O-CB 3.47Å; D26-I29 PolarHBondContact O-N 3.07Å; D26-I29 VanDerWaalsContact O-N 3.09Å; D27-I29 VanDerWaalsContact C-N 3.27Å; D27-I29 PolarHBondContact O-N 3.05Å; I29-R146 PolarHBondContact O-NH1 3.12Å; I29-R146 PolarHBondContact O-NH2 2.93Å; I29-P209 HydrophobicContact CB-CG 4.37Å; I29-P209 HydrophobicContact CD1-CB 4.27Å; I29-P209 HydrophobicContact CD1-CG 3.42Å; I29-P209 VanDerWaalsContact CD1-CG 3.42Å; I29-P209 HydrophobicContact CG1-CG 3.85Å; I29-P209 HydrophobicContact CG2-CB 3.51Å; I29-P209 HydrophobicContact CG2-CG 3.6Å
30	E	53.3	Low	44.7	Very low	120 Å²	120	79.9 Å²	79.9	56%	0.561	39%	0.385	S	S	*	.	H	α-helix	trans	-66.4	-43.2	-179.9	-73.5	-169.8	161.1	0	0	112.5	D26 Q32 K33 D34	D26-E30 PolarHBondContact O-N 3.19Å; E30-Q32 PolarHBondContact O-N 3.24Å; E30-K33 WeakPolarHBondContact O-CA 3.28Å; E30-K33 VanDerWaalsContact O-CB 3.3Å; E30-K33 WeakPolarHBondContact O-CB 3.48Å; E30-K33 PolarHBondContact O-N 2.91Å; E30-D34 PolarHBondContact O-N 3.34Å; E30-D34 VanDerWaalsContact O-N 3.11Å
31	D	50.9	Low	45.7	Very low	33 Å²	33	82.9 Å²	82.9	18%	0.176	40%	0.403	C	S	.	.	H	α-helix	trans	-58.9	-34.1	177.8	-177	77.1	0	0	0	113.7	D27 K33 D34 K35 K119	D27-D31 PolarHBondContact O-N 3.09Å; D31-K33 VanDerWaalsContact C-N 3.33Å; D31-D34 PolarHBondContact O-N 3.45Å; D31-K35 WeakPolarHBondContact O-CG 3.43Å; D31-K35 PolarHBondContact O-N 3.46Å; D31-K35 IonicContact OD1-NZ 2.75Å; D31-K35 VanDerWaalsContact OD2-CE 3.32Å; D31-K35 WeakPolarHBondContact OD2-CE 3.37Å; D31-K35 IonicContact OD2-NZ 2.72Å; D31-K35 PolarHBondContact OD2-NZ 3.27Å; D31-K119 IonicContact OD1-NZ 3.65Å; D31-K119 PolarHBondContact OD1-NZ 3.34Å; D31-K119 IonicContact OD2-NZ 3.85Å
32	Q	51.9	Low	46.1	Very low	22 Å²	22	84.4 Å²	84.4	10%	0.103	41%	0.412	C	S	.	.	H	α-helix	trans	-71.2	-30.8	176	-63.3	-54.3	-50	0	0	112.3	Y28 E30 D34 E36 R146	Y28-Q32 HydrophobicContact CE1-CG 4.25Å; Y28-Q32 WeakPolarHBondContact O-CG 3.49Å; E30-Q32 PolarHBondContact O-N 3.24Å; Q32-D34 VanDerWaalsContact C-N 3.31Å; Q32-E36 WeakPolarHBondContact O-CB 3.43Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 2.82Å; Q32-R146 VanDerWaalsContact CB-NH1 3.32Å
33	K	51.7	Low	46.2	Very low	66 Å²	66	83 Å²	83	29%	0.287	42%	0.419	S	S	.	.	H	α-helix	trans	-64.8	-41.4	170.5	-72.3	-178.1	178.5	164.9	0	110.4	E30 D31 E36 K37 E211	E30-K33 WeakPolarHBondContact O-CA 3.28Å; E30-K33 VanDerWaalsContact O-CB 3.3Å; E30-K33 WeakPolarHBondContact O-CB 3.48Å; E30-K33 PolarHBondContact O-N 2.91Å; D31-K33 VanDerWaalsContact C-N 3.33Å; K33-E36 PolarHBondContact O-N 3.35Å; K33-K37 WeakPolarHBondContact O-CB 3.45Å; K33-K37 VanDerWaalsContact O-CG 3.28Å; K33-K37 WeakPolarHBondContact O-CG 2.88Å; K33-K37 PolarHBondContact O-N 2.99Å; K33-E211 WeakPolarHBondContact CE-OE1 3.49Å; K33-E211 WeakPolarHBondContact CE-OE2 3.44Å; K33-E211 IonicContact NZ-OE1 3.81Å; K33-E211 IonicContact NZ-OE2 2.71Å; K33-E211 PolarHBondContact NZ-OE2 3.29Å
34	D	55.1	Low	46.3	Very low	80 Å²	80	87.4 Å²	87.4	43%	0.428	44%	0.441	S	S	.	.	H	α-helix	trans	-71.2	-38.4	-177	-65.9	-21.1	0	0	0	111.4	E30 D31 Q32 E36 K37 E38	E30-D34 PolarHBondContact O-N 3.34Å; E30-D34 VanDerWaalsContact O-N 3.11Å; D31-D34 PolarHBondContact O-N 3.45Å; Q32-D34 VanDerWaalsContact C-N 3.31Å; D34-E36 PolarHBondContact O-N 3.45Å; D34-K37 PolarHBondContact O-N 2.66Å; D34-K37 IonicContact OD1-NZ 2.66Å; D34-E38 WeakPolarHBondContact O-CB 3.14Å; D34-E38 WeakPolarHBondContact O-CG 3.5Å; D34-E38 PolarHBondContact O-N 2.91Å
35	K	53.4	Low	45.8	Very low	101 Å²	101	95 Å²	95	44%	0.439	48%	0.475	S	S	.	.	H	α-helix	trans	-66.2	-32.6	171.2	-74.9	174	176.6	156.6	0	114	D31 K39	D31-K35 WeakPolarHBondContact O-CG 3.43Å; D31-K35 PolarHBondContact O-N 3.46Å; D31-K35 IonicContact OD1-NZ 2.75Å; D31-K35 VanDerWaalsContact OD2-CE 3.32Å; D31-K35 WeakPolarHBondContact OD2-CE 3.37Å; D31-K35 IonicContact OD2-NZ 2.72Å; D31-K35 PolarHBondContact OD2-NZ 3.27Å; K35-K39 PolarHBondContact O-N 2.98Å
36	E	49.4	Very low	45.4	Very low	95 Å²	95	96 Å²	96	44%	0.444	50%	0.499	S	S	.	.	H	α-helix	trans	-72.3	-35.4	173	-78.3	177.1	175.5	0	0	111.8	Q32 K33 D34 Q40	Q32-E36 WeakPolarHBondContact O-CB 3.43Å; Q32-E36 WeakPolarHBondContact O-CG 3.48Å; Q32-E36 PolarHBondContact O-N 2.82Å; K33-E36 PolarHBondContact O-N 3.35Å; D34-E36 PolarHBondContact O-N 3.45Å; E36-Q40 PolarHBondContact O-N 3.27Å
37	K	52	Low	44.8	Very low	113 Å²	113	103 Å²	103	49%	0.491	53%	0.528	S	S	.	.	H	α-helix	trans	-70.7	-42.9	173.7	-74	172	-176.5	170.9	0	112.8	K33 D34 K39 Q40 D41	K33-K37 WeakPolarHBondContact O-CB 3.45Å; K33-K37 VanDerWaalsContact O-CG 3.28Å; K33-K37 WeakPolarHBondContact O-CG 2.88Å; K33-K37 PolarHBondContact O-N 2.99Å; D34-K37 PolarHBondContact O-N 2.66Å; D34-K37 IonicContact OD1-NZ 2.66Å; K37-K39 PolarHBondContact O-N 3.12Å; K37-Q40 WeakPolarHBondContact O-CA 3.39Å; K37-Q40 WeakPolarHBondContact O-CB 3.17Å; K37-Q40 PolarHBondContact O-N 2.68Å; K37-D41 PolarHBondContact O-N 2.69Å
38	E	52.2	Low	44.1	Very low	141 Å²	141	104.1 Å²	104.1	66%	0.659	53%	0.533	S	S	*	.	H	α-helix	trans	-61.3	-32.6	176.6	-78.8	-177.9	163.6	0	0	112.2	D34 Q40 D41	D34-E38 WeakPolarHBondContact O-CB 3.14Å; D34-E38 WeakPolarHBondContact O-CG 3.5Å; D34-E38 PolarHBondContact O-N 2.91Å; E38-Q40 VanDerWaalsContact C-N 3.28Å; E38-Q40 PolarHBondContact O-N 2.77Å; E38-D41 PolarHBondContact O-N 3.3Å
39	K	48.9	Very low	43.4	Very low	172 Å²	172	112.3 Å²	112.3	75%	0.748	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.4	-22	171.8	-83.6	-176.2	176.2	-177.7	0	114	K35 K37	K35-K39 PolarHBondContact O-N 2.98Å; K37-K39 PolarHBondContact O-N 3.12Å
40	Q	47.4	Very low	42.6	Very low	162 Å²	162	113.7 Å²	113.7	76%	0.757	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.6	-24.3	176.6	-75.4	180	-18.4	0	0	112.8	E36 K37 E38	E36-Q40 PolarHBondContact O-N 3.27Å; K37-Q40 WeakPolarHBondContact O-CA 3.39Å; K37-Q40 WeakPolarHBondContact O-CB 3.17Å; K37-Q40 PolarHBondContact O-N 2.68Å; E38-Q40 VanDerWaalsContact C-N 3.28Å; E38-Q40 PolarHBondContact O-N 2.77Å
41	D	48.9	Very low	41.8	Very low	146 Å²	146	116.2 Å²	116.2	78%	0.781	60%	0.6	S	S	*	*	S	Bend	trans	-94.8	-1.4	-176.4	-77.5	-27.2	0	0	0	114.9	K37 E38	K37-D41 PolarHBondContact O-N 2.69Å; E38-D41 PolarHBondContact O-N 3.3Å
42	S	35.2	Very low	41.3	Very low	59 Å²	59	117.4 Å²	117.4	41%	0.413	61%	0.614	S	S	.	*	S	Bend	trans	-90.3	124.9	172	56.4	0	0	0	0	112.1	T44	S42-T44 PolarHBondContact O-N 2.81Å
43	P	34.5	Very low	41.2	Very low	134 Å²	134	121.3 Å²	121.3	87%	0.87	64%	0.636	S	S	*	*			trans	-76.5	94.6	177.5	30.9	-30.7	0	0	0	109.3
44	T	33.2	Very low	41.7	Very low	120 Å²	120	122 Å²	122	74%	0.736	64%	0.643	S	S	*	*			trans	-137.9	128.6	168.5	5.2	0	0	0	0	110.8	S42	S42-T44 PolarHBondContact O-N 2.81Å
45	E	28.6	Very low	42.8	Very low	202 Å²	202	121.3 Å²	121.3	94%	0.944	64%	0.636	S	S	*	*			trans	-54.1	142.7	179.8	-62.9	172.9	138.5	0	0	112.5
46	G	29.8	Very low	44.5	Very low	69 Å²	69	117.1 Å²	117.1	71%	0.711	62%	0.618	S	S	*	*	S	Bend	trans	107.6	99.9	171.6	0	0	0	0	0	112.6	D48	G46-D48 PolarHBondContact O-N 3.12Å
47	K	28.2	Very low	46.5	Very low	195 Å²	195	113 Å²	113	85%	0.848	60%	0.598	S	S	*	*			trans	-51.8	98.6	164.7	-73.1	174.9	170.8	179.4	0	110.1
48	D	30.9	Very low	48.4	Very low	119 Å²	119	107.6 Å²	107.6	64%	0.636	58%	0.575	S	S	*	*			trans	-117.7	62.7	157.8	-140.7	19	0	0	0	107	G46 G50 K51	G46-D48 PolarHBondContact O-N 3.12Å; D48-G50 PolarHBondContact O-N 2.93Å; D48-K51 IonicContact OD2-NZ 2.77Å
49	E	29.5	Very low	50.2	Low	192 Å²	192	101.7 Å²	101.7	90%	0.897	55%	0.547	S	S	*	.			trans	-67.2	17.3	168.2	-73.6	-174.9	154.2	0	0	112.4
50	G	29	Very low	51.9	Low	47 Å²	47	94.5 Å²	94.5	49%	0.485	52%	0.516	S	S	.	.			trans	-124.9	88.4	179.2	0	0	0	0	0	112.1	D48	D48-G50 PolarHBondContact O-N 2.93Å
51	K	37	Very low	53.4	Low	172 Å²	172	87.8 Å²	87.8	75%	0.748	49%	0.491	S	S	*	.			trans	-166.3	10.1	164	-117.6	161.8	-168.3	160.6	0	119.1	D48	D48-K51 IonicContact OD2-NZ 2.77Å
52	A	40.4	Very low	54.7	Low	58 Å²	58	87.3 Å²	87.3	48%	0.479	49%	0.488	S	S	.	.	S	Bend	trans	-77.9	-26.3	167.1	0	0	0	0	0	112.1	N54	A52-N54 PolarHBondContact O-N 3.05Å
53	D	49.7	Very low	56.7	Low	105 Å²	105	89.4 Å²	89.4	56%	0.561	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-1.3	-168.6	-87.8	-3.3	0	0	0	116.7	S149	D53-S149 WeakPolarHBondContact O-CB 3.31Å
54	N	62.8	Low	59.1	Low	81 Å²	81	88.1 Å²	88.1	43%	0.433	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.1	18.8	-171.1	-143.7	-2.6	0	0	0	114.9	A52 H57 R65	A52-N54 PolarHBondContact O-N 3.05Å; N54-H57 PolarHBondContact O-CE1 2.8Å; N54-H57 PolarHBondContact O-ND1 3.34Å; N54-R65 WeakPolarHBondContact OD1-CD 3.07Å; N54-R65 PolarHBondContact OD1-NH1 3.28Å
55	K	78.1	Confident	61.8	Low	65 Å²	65	87 Å²	87	28%	0.283	46%	0.457	S	S	.	.	S	Bend	trans	-82.1	-32.7	-172.5	-170.3	174.5	179	-167.9	0	114.1	Y28 R59	Y28-K55 PolarHBondContact OH-NZ 2.93Å; K55-R59 PolarHBondContact O-NH1 3.15Å; K55-R59 PolarHBondContact O-NH2 2.69Å
56	Y	88.2	Confident	64.7	Low	13 Å²	13	77.5 Å²	77.5	5%	0.051	41%	0.413	C	S	.	.	S	Bend	trans	-111.9	111.4	-177.2	-54.3	-78.6	0	0	0	109.5	Y28 V144 R146 S149 G150	Y28-Y56 HydrophobicContact CE1-CE1 4.22Å; Y28-Y56 WeakPolarHBondContact CE1-OH 3.3Å; Y56-V144 HydrophobicContact CD1-CG1 3.66Å; Y56-V144 HydrophobicContact CE1-CG1 4.14Å; Y56-V144 HydrophobicContact CG-CG1 4.11Å; Y56-R146 HydrophobicContact CD2-CB 4.05Å; Y56-R146 HydrophobicContact CE2-CB 3.65Å; Y56-R146 HydrophobicContact CE2-CG 4.38Å; Y56-S149 PolarHBondContact N-OG 3.12Å; Y56-G150 CarbonylContact O-C 3.43Å; Y56-G150 WeakPolarHBondContact O-CA 3.41Å; Y56-G150 PolarHBondContact O-N 2.65Å; Y56-G150 VanDerWaalsContact O-N 3.15Å; Y56-G150 VanDerWaalsContact O-O 3.11Å
57	H	91.4	Very high	67.7	Low	7 Å²	7	77.3 Å²	77.3	3%	0.032	39%	0.394	C	S	.	.	S	Bend	trans	-160.5	162.4	-179.1	54.7	-101	0	0	0	109.7	N54 R59 D63 R65 T183	N54-H57 PolarHBondContact O-CE1 2.8Å; N54-H57 PolarHBondContact O-ND1 3.34Å; H57-R59 VanDerWaalsContact CD2-CG 3.41Å; H57-R59 WeakPolarHBondContact CD2-CG 3.08Å; H57-R59 WeakPolarHBondContact NE2-CG 3.12Å; H57-R59 PolarHBondContact NE2-NE 3.42Å; H57-R59 PolarHBondContact O-N 3.48Å; H57-D63 IonicContact NE2-OD1 2.66Å; H57-R65 HydrophobicContact CB-CG 4.12Å; H57-T183 WeakPolarHBondContact CA-OG1 3.32Å; H57-T183 HydrophobicContact CB-CG2 3.6Å; H57-T183 WeakPolarHBondContact CB-OG1 3.37Å
58	C	92.8	Very high	70.7	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	128.7	170.7	-61	0	0	0	0	110	Q66 M69 C181 L182 T183	C58-Q66 HydrophobicContact CB-CB 4.25Å; C58-Q66 PolarHBondContact O-N 2.93Å; C58-M69 HydrophobicContact CB-CE 4.15Å; C58-M69 HydrophobicContact CB-CG 4.43Å; C58-C181 VanDerWaalsContact CA-SG 3.57Å; C58-C181 HydrophobicContact CB-CB 3.88Å; C58-C181 WeakPolarHBondContact CB-SG 3.31Å; C58-C181 VanDerWaalsContact SG-CA 3.58Å; C58-C181 WeakPolarHBondContact SG-CB 3.34Å; C58-C181 CovalentContact SG-SG 2.03Å; C58-C181 PolarHBondContact SG-SG 2.68Å; C58-L182 PolarHBondContact SG-N 3.41Å; C58-T183 PolarHBondContact N-OG1 3Å; C58-T183 PolarHBondContact SG-N 3.03Å; C58-T183 VanDerWaalsContact SG-N 3.45Å
59	R	90	Very high	73.7	Confident	18 Å²	18	63.2 Å²	63.2	7%	0.068	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	143.4	-175.2	-72.1	167.3	169	120.8	1.9	111	K55 H57 D63 M69 A108 T109 S111	K55-R59 PolarHBondContact O-NH1 3.15Å; K55-R59 PolarHBondContact O-NH2 2.69Å; H57-R59 VanDerWaalsContact CD2-CG 3.41Å; H57-R59 WeakPolarHBondContact CD2-CG 3.08Å; H57-R59 WeakPolarHBondContact NE2-CG 3.12Å; H57-R59 PolarHBondContact NE2-NE 3.42Å; H57-R59 PolarHBondContact O-N 3.48Å; R59-D63 WeakPolarHBondContact CD-OD1 3.27Å; R59-D63 IonicContact CZ-OD1 2.75Å; R59-D63 IonicContact NE-OD1 3.72Å; R59-D63 PolarHBondContact NE-OD1 3.23Å; R59-D63 IonicContact NH2-OD1 3.43Å; R59-M69 WeakPolarHBondContact O-CE 3.43Å; R59-A108 HydrophobicContact CB-CB 3.81Å; R59-A108 WeakPolarHBondContact CD-O 3.34Å; R59-T109 PolarHBondContact N-OG1 3.45Å; R59-T109 PolarHBondContact O-OG1 3.28Å; R59-S111 PolarHBondContact NH1-OG 3.04Å
60	I	85.5	Confident	76.8	Confident	21 Å²	21	55.3 Å²	55.3	11%	0.108	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	171.3	157	64.8	170.9	0	0	0	108.2	D63 K64 Q66 M69 L82 P105	I60-D63 PolarHBondContact O-N 2.91Å; I60-K64 HydrophobicContact CD1-CB 4.37Å; I60-K64 HydrophobicContact CD1-CD 3.89Å; I60-K64 HydrophobicContact CD1-CG 4.19Å; I60-K64 HydrophobicContact CG1-CB 3.76Å; I60-K64 HydrophobicContact CG1-CD 4.22Å; I60-K64 HydrophobicContact CG1-CG 4.01Å; I60-K64 PolarHBondContact N-O 2.89Å; I60-K64 PolarHBondContact O-N 3.16Å; I60-Q66 HydrophobicContact CG1-CG 4.24Å; I60-Q66 HydrophobicContact CG2-CG 3.76Å; I60-M69 HydrophobicContact CG2-SD 3.84Å; I60-L82 HydrophobicContact CB-CD2 4.38Å; I60-L82 HydrophobicContact CD1-CD2 4.44Å; I60-L82 HydrophobicContact CG2-CD1 4.1Å; I60-L82 HydrophobicContact CG2-CD2 3.68Å; I60-P105 HydrophobicContact CG2-CB 4.36Å
61	G	77.6	Confident	79.9	Confident	21 Å²	21	53.1 Å²	53.1	22%	0.216	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.2	146.5	-178	0	0	0	0	0	114.3	D102	G61-D102 WeakPolarHBondContact CA-O 3.45Å
62	N	77	Confident	82.5	Confident	136 Å²	136	45.6 Å²	45.6	73%	0.727	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	38	-175.1	-54.1	-40.6	0	0	0	114.4	K64	N62-K64 PolarHBondContact O-N 3.47Å
63	D	75.6	Confident	85.1	Confident	103 Å²	103	42.8 Å²	42.8	55%	0.551	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	57	24.4	175.9	-160.1	34.7	0	0	0	114	H57 R59 I60 R65	H57-D63 IonicContact NE2-OD1 2.66Å; R59-D63 WeakPolarHBondContact CD-OD1 3.27Å; R59-D63 IonicContact CZ-OD1 2.75Å; R59-D63 IonicContact NE-OD1 3.72Å; R59-D63 PolarHBondContact NE-OD1 3.23Å; R59-D63 IonicContact NH2-OD1 3.43Å; I60-D63 PolarHBondContact O-N 2.91Å; D63-R65 PolarHBondContact O-N 3.13Å
64	K	86	Confident	87.1	Confident	106 Å²	106	37.8 Å²	37.8	46%	0.461	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	113.4	-178.9	176.9	172.8	169.4	-160.9	0	109.4	I60 N62	I60-K64 HydrophobicContact CD1-CB 4.37Å; I60-K64 HydrophobicContact CD1-CD 3.89Å; I60-K64 HydrophobicContact CD1-CG 4.19Å; I60-K64 HydrophobicContact CG1-CB 3.76Å; I60-K64 HydrophobicContact CG1-CD 4.22Å; I60-K64 HydrophobicContact CG1-CG 4.01Å; I60-K64 PolarHBondContact N-O 2.89Å; I60-K64 PolarHBondContact O-N 3.16Å; N62-K64 PolarHBondContact O-N 3.47Å
65	R	89.6	Confident	88.5	Confident	97 Å²	97	37.6 Å²	37.6	37%	0.366	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	140.1	175.6	176.3	172.3	165.6	166.1	1	112.1	N54 H57 D63 E67	N54-R65 WeakPolarHBondContact OD1-CD 3.07Å; N54-R65 PolarHBondContact OD1-NH1 3.28Å; H57-R65 HydrophobicContact CB-CG 4.12Å; D63-R65 PolarHBondContact O-N 3.13Å; R65-E67 IonicContact CZ-OE1 2.62Å; R65-E67 IonicContact NE-OE1 3Å; R65-E67 PolarHBondContact NE-OE1 3.2Å; R65-E67 IonicContact NH2-OE1 2.78Å; R65-E67 PolarHBondContact NH2-OE1 3.45Å; R65-E67 IonicContact NH2-OE2 3.23Å; R65-E67 PolarHBondContact NH2-OE2 3.36Å
66	Q	90	Very high	89.2	Confident	2 Å²	2	40 Å²	40	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	138.5	169.5	-66.4	-60.4	-16.5	0	0	110.3	C58 I60 W68 D84 N86 T183	C58-Q66 HydrophobicContact CB-CB 4.25Å; C58-Q66 PolarHBondContact O-N 2.93Å; I60-Q66 HydrophobicContact CG1-CG 4.24Å; I60-Q66 HydrophobicContact CG2-CG 3.76Å; Q66-W68 VanDerWaalsContact C-N 3.35Å; Q66-D84 PolarHBondContact NE2-OD1 3.07Å; Q66-D84 PolarHBondContact NE2-OD2 3.47Å; Q66-D84 PolarHBondContact OE1-OD1 3.03Å; Q66-N86 PolarHBondContact NE2-ND2 2.94Å; Q66-N86 PolarHBondContact OE1-ND2 2.98Å; Q66-N86 VanDerWaalsContact OE1-ND2 3.07Å; Q66-T183 WeakPolarHBondContact O-CB 3Å; Q66-T183 PolarHBondContact O-OG1 2.82Å
67	E	91.5	Very high	89.4	Confident	66 Å²	66	42.5 Å²	42.5	31%	0.308	21%	0.208	S	C	.	.	S	Bend	trans	-70.7	-37.4	172.8	-65.5	-55.6	112.1	0	0	111.1	R65 T183	R65-E67 IonicContact CZ-OE1 2.62Å; R65-E67 IonicContact NE-OE1 3Å; R65-E67 PolarHBondContact NE-OE1 3.2Å; R65-E67 IonicContact NH2-OE1 2.78Å; R65-E67 PolarHBondContact NH2-OE1 3.45Å; R65-E67 IonicContact NH2-OE2 3.23Å; R65-E67 PolarHBondContact NH2-OE2 3.36Å; E67-T183 PolarHBondContact O-N 2.78Å
68	W	92.8	Very high	89.5	Confident	17 Å²	17	49.2 Å²	49.2	6%	0.064	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	162.3	169.3	63	-82	0	0	0	109.7	Q66 I70 G85 C181 L182 A243 Q246 F248	Q66-W68 VanDerWaalsContact C-N 3.35Å; W68-I70 HydrophobicContact CE3-CG1 4.34Å; W68-I70 HydrophobicContact CZ3-CD1 4.13Å; W68-I70 HydrophobicContact CZ3-CG1 4.03Å; W68-G85 VanDerWaalsContact CD2-CA 3.49Å; W68-G85 VanDerWaalsContact CZ2-CA 3.44Å; W68-G85 PolarHBondContact NE1-O 3.27Å; W68-G85 WeakPolarHBondContact O-CA 3.41Å; W68-G85 PolarHBondContact O-N 3.44Å; W68-C181 CarbonylContact C-O 3.59Å; W68-C181 WeakPolarHBondContact CA-O 3.27Å; W68-L182 HydrophobicContact CB-CD2 3.77Å; W68-A243 HydrophobicContact CB-CB 3.97Å; W68-A243 HydrophobicContact CG-CB 4.4Å; W68-Q246 HydrophobicContact CZ2-CB 4.21Å; W68-Q246 HydrophobicContact CZ2-CG 4.03Å; W68-F248 HydrophobicContact CB-CE2 3.98Å; W68-F248 HydrophobicContact CB-CZ 3.73Å; W68-F248 HydrophobicContact CD2-CE2 4.19Å; W68-F248 AromaticContact CD2-CZ 3.68Å; W68-F248 HydrophobicContact CD2-CZ 3.68Å; W68-F248 AromaticContact CE3-CZ 3.89Å; W68-F248 HydrophobicContact CE3-CZ 3.89Å; W68-F248 AromaticContact CG-CE2 3.8Å; W68-F248 HydrophobicContact CG-CE2 3.8Å; W68-F248 AromaticContact CG-CZ 3.63Å; W68-F248 HydrophobicContact CG-CZ 3.63Å
69	M	94	Very high	89.5	Confident	1 Å²	1	50 Å²	50	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	154.8	170.1	58.3	178.4	-177.8	0	0	110.9	C58 R59 I60 L71 L82 P105 T109 I180 C181	C58-M69 HydrophobicContact CB-CE 4.15Å; C58-M69 HydrophobicContact CB-CG 4.43Å; R59-M69 WeakPolarHBondContact O-CE 3.43Å; I60-M69 HydrophobicContact CG2-SD 3.84Å; M69-L71 HydrophobicContact CE-CD1 3.86Å; M69-L71 HydrophobicContact SD-CD1 4.18Å; M69-L71 HydrophobicContact SD-CD2 4.45Å; M69-L71 HydrophobicContact SD-CG 4.34Å; M69-L82 HydrophobicContact CB-CD1 3.78Å; M69-L82 HydrophobicContact CG-CD1 4.48Å; M69-L82 HydrophobicContact SD-CD1 4.14Å; M69-P105 HydrophobicContact CE-CB 4.37Å; M69-P105 HydrophobicContact SD-CB 4.36Å; M69-T109 WeakPolarHBondContact CE-OG1 3.35Å; M69-I180 WeakPolarHBondContact O-CA 3.5Å; M69-C181 HydrophobicContact CE-CB 3.71Å; M69-C181 HydrophobicContact CG-CB 3.78Å; M69-C181 PolarHBondContact N-O 3.15Å; M69-C181 PolarHBondContact O-N 2.46Å
70	I	92.8	Very high	89.6	Confident	25 Å²	25	49.1 Å²	49.1	13%	0.128	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.8	166.9	-58.6	174.3	0	0	0	107.8	W68 I83 L178 F179 I180	W68-I70 HydrophobicContact CE3-CG1 4.34Å; W68-I70 HydrophobicContact CZ3-CD1 4.13Å; W68-I70 HydrophobicContact CZ3-CG1 4.03Å; I70-I83 HydrophobicContact CB-CB 4.2Å; I70-I83 HydrophobicContact CB-CD1 4.36Å; I70-I83 HydrophobicContact CG2-CD1 4.39Å; I70-I83 PolarHBondContact N-O 2.86Å; I70-I83 PolarHBondContact O-N 3.26Å; I70-L178 HydrophobicContact CG2-CD1 3.7Å; I70-L178 HydrophobicContact CG2-CD2 4.37Å; I70-L178 HydrophobicContact CG2-CG 4.09Å; I70-F179 CarbonylContact C-O 3.59Å; I70-F179 WeakPolarHBondContact CA-O 3.41Å; I70-I180 HydrophobicContact CG1-CG1 4.28Å
71	L	94.1	Very high	89.9	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.2	172.6	-56.3	160.6	0	0	0	108.4	M69 L80 I81 L82 P105 V106 L178 F179	M69-L71 HydrophobicContact CE-CD1 3.86Å; M69-L71 HydrophobicContact SD-CD1 4.18Å; M69-L71 HydrophobicContact SD-CD2 4.45Å; M69-L71 HydrophobicContact SD-CG 4.34Å; L71-L80 HydrophobicContact CB-CD2 4.27Å; L71-L80 HydrophobicContact CD1-CD1 4.49Å; L71-L80 HydrophobicContact CD2-CB 4.49Å; L71-I81 CarbonylContact C-O 3.55Å; L71-I81 WeakPolarHBondContact CA-O 2.97Å; L71-L82 HydrophobicContact CD2-CB 3.79Å; L71-L82 HydrophobicContact CD2-CD1 3.59Å; L71-L82 HydrophobicContact CD2-CG 4.27Å; L71-L82 HydrophobicContact CG-CD1 4.47Å; L71-P105 HydrophobicContact CD1-CB 3.98Å; L71-P105 HydrophobicContact CD2-CB 3.96Å; L71-P105 HydrophobicContact CD2-CG 4.01Å; L71-V106 HydrophobicContact CD1-CG2 3.53Å; L71-L178 CarbonylContact O-C 3.59Å; L71-L178 WeakPolarHBondContact O-CA 3.14Å; L71-F179 HydrophobicContact CB-CB 4.08Å; L71-F179 HydrophobicContact CB-CD2 4.25Å; L71-F179 HydrophobicContact CB-CG 4.49Å; L71-F179 HydrophobicContact CD1-CB 4.41Å; L71-F179 PolarHBondContact N-O 3.39Å; L71-F179 PolarHBondContact O-N 2.85Å
72	F	92.9	Very high	90.5	Very high	14 Å²	14	47.8 Å²	47.8	6%	0.061	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	126.6	175.2	167.3	-126	0	0	0	109.5	P74 L80 I81 A176 H177 L178 V308 Y311 H313 F320	F72-P74 HydrophobicContact CD1-CG 4.32Å; F72-P74 HydrophobicContact CE1-CB 4.1Å; F72-P74 HydrophobicContact CE1-CG 3.74Å; F72-P74 HydrophobicContact CZ-CB 3.78Å; F72-P74 HydrophobicContact CZ-CG 3.88Å; F72-L80 CarbonylContact O-C 3.56Å; F72-L80 WeakPolarHBondContact O-CA 3.36Å; F72-I81 HydrophobicContact CB-CB 4.42Å; F72-I81 HydrophobicContact CD1-CB 4.33Å; F72-I81 HydrophobicContact CD1-CD1 3.77Å; F72-I81 HydrophobicContact CD1-CG1 4.35Å; F72-I81 HydrophobicContact CE1-CD1 4.05Å; F72-I81 PolarHBondContact N-O 3.06Å; F72-I81 PolarHBondContact O-N 2.82Å; F72-A176 HydrophobicContact CE2-CB 4.22Å; F72-H177 WeakPolarHBondContact CD2-O 3.18Å; F72-L178 HydrophobicContact CB-CD1 3.9Å; F72-L178 HydrophobicContact CD2-CD1 4.4Å; F72-V308 HydrophobicContact CD1-CG1 4.29Å; F72-V308 HydrophobicContact CE1-CB 4.43Å; F72-V308 HydrophobicContact CE1-CG1 4.11Å; F72-Y311 HydrophobicContact CE1-CD2 4.19Å; F72-H313 AromaticContact CE1-NE2 3.94Å; F72-H313 AromaticContact CE2-CE1 3.59Å; F72-H313 AromaticContact CZ-CE1 3.23Å; F72-H313 WeakPolarHBondContact CZ-CE1 3.47Å; F72-H313 AromaticContact CZ-NE2 3.28Å; F72-H313 VanDerWaalsContact CZ-NE2 3.28Å; F72-H313 WeakPolarHBondContact CZ-NE2 3.41Å; F72-F320 AromaticContact CD2-CE1 3.76Å; F72-F320 HydrophobicContact CD2-CE1 3.76Å; F72-F320 AromaticContact CD2-CZ 3.99Å; F72-F320 HydrophobicContact CD2-CZ 3.99Å; F72-F320 AromaticContact CE2-CE1 3.69Å; F72-F320 HydrophobicContact CE2-CE1 3.69Å; F72-F320 HydrophobicContact CE2-CZ 4.16Å
73	K	94	Very high	91	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	104.7	178.6	-162.4	-116	91.4	177.1	0	108.3	E77 L80 I97 W168 M172 L173 S175 A176 H177	K73-E77 WeakPolarHBondContact CE-O 2.91Å; K73-L80 HydrophobicContact CB-CD2 3.75Å; K73-L80 HydrophobicContact CG-CD2 3.96Å; K73-I97 HydrophobicContact CB-CD1 4.47Å; K73-I97 HydrophobicContact CD-CD1 4.04Å; K73-I97 HydrophobicContact CG-CD1 3.28Å; K73-W168 HydrophobicContact CD-CE3 4.35Å; K73-W168 HydrophobicContact CD-CH2 3.99Å; K73-W168 HydrophobicContact CD-CZ3 3.49Å; K73-W168 VanDerWaalsContact CD-CZ3 3.49Å; K73-W168 HydrophobicContact CG-CH2 4.02Å; K73-W168 HydrophobicContact CG-CZ3 4.03Å; K73-M172 PolarHBondContact NZ-O 2.79Å; K73-L173 PolarHBondContact NZ-O 3.45Å; K73-S175 WeakPolarHBondContact CE-O 3.32Å; K73-S175 PolarHBondContact NZ-O 3.33Å; K73-A176 CarbonylContact O-C 3.58Å; K73-A176 VanDerWaalsContact O-CA 3.29Å; K73-A176 WeakPolarHBondContact O-CA 3.4Å; K73-H177 HydrophobicContact CB-CB 4.1Å; K73-H177 PolarHBondContact N-O 2.9Å; K73-H177 PolarHBondContact O-N 2.86Å
74	P	92.5	Very high	91.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.183	C	C	.	.			trans	-68.1	155.4	-177.9	-14.5	27.7	0	0	0	112.7	F72 E77 T79 I81 Y311	F72-P74 HydrophobicContact CD1-CG 4.32Å; F72-P74 HydrophobicContact CE1-CB 4.1Å; F72-P74 HydrophobicContact CE1-CG 3.74Å; F72-P74 HydrophobicContact CZ-CB 3.78Å; F72-P74 HydrophobicContact CZ-CG 3.88Å; P74-E77 HydrophobicContact CB-CB 4.12Å; P74-E77 HydrophobicContact CB-CG 4Å; P74-E77 HydrophobicContact CG-CB 4.39Å; P74-E77 HydrophobicContact CG-CG 4.49Å; P74-E77 PolarHBondContact O-N 2.85Å; P74-T79 VanDerWaalsContact CD-O 3.29Å; P74-T79 WeakPolarHBondContact CD-O 3.4Å; P74-I81 HydrophobicContact CG-CD1 4.21Å; P74-Y311 HydrophobicContact CB-CD1 3.53Å; P74-Y311 HydrophobicContact CB-CD2 3.81Å; P74-Y311 HydrophobicContact CB-CE1 3.7Å; P74-Y311 HydrophobicContact CB-CE2 3.96Å; P74-Y311 HydrophobicContact CB-CG 3.58Å; P74-Y311 HydrophobicContact CG-CD1 4.15Å; P74-Y311 HydrophobicContact CG-CD2 3.68Å; P74-Y311 HydrophobicContact CG-CE1 3.96Å; P74-Y311 HydrophobicContact CG-CE2 3.45Å; P74-Y311 VanDerWaalsContact CG-CE2 3.45Å; P74-Y311 HydrophobicContact CG-CG 4.01Å
75	K	91.7	Very high	90.8	Very high	76 Å²	76	35.2 Å²	35.2	33%	0.33	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	138.7	176.9	-161.7	-175.7	175.6	165.3	0	110.9	E77 S174 A176	K75-E77 WeakPolarHBondContact O-CG 3.11Å; K75-E77 PolarHBondContact O-N 3.05Å; K75-S174 WeakPolarHBondContact CE-O 3.39Å; K75-S174 WeakPolarHBondContact CG-O 3.48Å; K75-A176 HydrophobicContact CB-CB 4.24Å
76	D	92.5	Very high	89.9	Confident	115 Å²	115	33.3 Å²	33.3	62%	0.615	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	13.9	177.5	-54.3	-51.5	0	0	0	115.4	L173 S174	D76-L173 WeakPolarHBondContact CA-O 2.9Å; D76-L173 PolarHBondContact N-O 2.81Å; D76-S174 WeakPolarHBondContact OD1-CA 3.41Å
77	E	92.6	Very high	88.4	Confident	66 Å²	66	38.4 Å²	38.4	31%	0.308	20%	0.197	S	C	.	.			trans	-113.9	143.2	-177.6	-67.3	-76.8	-174.3	0	0	111.8	K73 P74 K75 T79 Y311	K73-E77 WeakPolarHBondContact CE-O 2.91Å; P74-E77 HydrophobicContact CB-CB 4.12Å; P74-E77 HydrophobicContact CB-CG 4Å; P74-E77 HydrophobicContact CG-CB 4.39Å; P74-E77 HydrophobicContact CG-CG 4.49Å; P74-E77 PolarHBondContact O-N 2.85Å; K75-E77 WeakPolarHBondContact O-CG 3.11Å; K75-E77 PolarHBondContact O-N 3.05Å; E77-T79 VanDerWaalsContact C-N 3.3Å; E77-T79 HydrophobicContact CB-CG2 4.18Å; E77-T79 PolarHBondContact O-N 2.81Å; E77-Y311 HydrophobicContact CG-CD1 4.4Å; E77-Y311 HydrophobicContact CG-CE1 3.66Å
78	K	92.9	Very high	87.3	Confident	148 Å²	148	40.7 Å²	40.7	64%	0.643	22%	0.215	S	C	*	.	S	Bend	trans	-96.2	37.9	173.9	-70.5	-176.7	175.4	-179.7	0	112.2	I97 L173	K78-I97 PolarHBondContact O-N 3.3Å; K78-I97 VanDerWaalsContact O-N 3.16Å; K78-L173 HydrophobicContact CD-CD1 4.22Å; K78-L173 VanDerWaalsContact CE-CD1 3.41Å; K78-L173 HydrophobicContact CG-CD1 3.92Å; K78-L173 HydrophobicContact CG-CD2 3.91Å; K78-L173 HydrophobicContact CG-CG 4.5Å
79	T	93	Very high	86	Confident	17 Å²	17	44.9 Å²	44.9	10%	0.104	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	154.2	-178.5	-167.7	0	0	0	0	113.3	P74 E77 G94 L95	P74-T79 VanDerWaalsContact CD-O 3.29Å; P74-T79 WeakPolarHBondContact CD-O 3.4Å; E77-T79 VanDerWaalsContact C-N 3.3Å; E77-T79 HydrophobicContact CB-CG2 4.18Å; E77-T79 PolarHBondContact O-N 2.81Å; T79-G94 WeakPolarHBondContact OG1-CA 3.46Å; T79-L95 CarbonylContact C-O 3.59Å; T79-L95 WeakPolarHBondContact CA-O 3.41Å; T79-L95 WeakPolarHBondContact CB-O 3.41Å; T79-L95 PolarHBondContact OG1-N 3.26Å; T79-L95 VanDerWaalsContact OG1-N 3.15Å; T79-L95 PolarHBondContact OG1-O 2.98Å
80	L	92.6	Very high	85.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.2	169.6	-61.7	165	0	0	0	110.6	L71 F72 K73 L95 I97 V106 F179	L71-L80 HydrophobicContact CB-CD2 4.27Å; L71-L80 HydrophobicContact CD1-CD1 4.49Å; L71-L80 HydrophobicContact CD2-CB 4.49Å; F72-L80 CarbonylContact O-C 3.56Å; F72-L80 WeakPolarHBondContact O-CA 3.36Å; K73-L80 HydrophobicContact CB-CD2 3.75Å; K73-L80 HydrophobicContact CG-CD2 3.96Å; L80-L95 HydrophobicContact CB-CB 4.15Å; L80-L95 PolarHBondContact N-O 2.89Å; L80-L95 PolarHBondContact O-N 2.68Å; L80-I97 HydrophobicContact CD1-CG1 3.99Å; L80-I97 HydrophobicContact CD2-CD1 3.81Å; L80-I97 HydrophobicContact CD2-CG1 4.11Å; L80-I97 HydrophobicContact CG-CD1 3.79Å; L80-I97 HydrophobicContact CG-CG1 3.55Å; L80-V106 HydrophobicContact CD1-CG2 3.8Å; L80-F179 HydrophobicContact CD2-CE2 4.48Å
81	I	92	Very high	84.8	Confident	9 Å²	9	53.3 Å²	53.3	5%	0.046	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	117.4	162.4	-54.4	178.6	0	0	0	106.8	L71 F72 P74 V91 T92 K93 E309 Y311	L71-I81 CarbonylContact C-O 3.55Å; L71-I81 WeakPolarHBondContact CA-O 2.97Å; F72-I81 HydrophobicContact CB-CB 4.42Å; F72-I81 HydrophobicContact CD1-CB 4.33Å; F72-I81 HydrophobicContact CD1-CD1 3.77Å; F72-I81 HydrophobicContact CD1-CG1 4.35Å; F72-I81 HydrophobicContact CE1-CD1 4.05Å; F72-I81 PolarHBondContact N-O 3.06Å; F72-I81 PolarHBondContact O-N 2.82Å; P74-I81 HydrophobicContact CG-CD1 4.21Å; I81-V91 HydrophobicContact CG2-CG1 3.61Å; I81-T92 CarbonylContact C-O 3.35Å; I81-T92 WeakPolarHBondContact CA-O 3.39Å; I81-K93 HydrophobicContact CG2-CG 4.17Å; I81-E309 HydrophobicContact CD1-CG 4.4Å; I81-Y311 HydrophobicContact CD1-CD2 4.14Å; I81-Y311 HydrophobicContact CD1-CE2 3.69Å
82	L	91	Very high	84.5	Confident	4 Å²	4	55.6 Å²	55.6	2%	0.021	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	130.3	176.8	166.3	69.7	0	0	0	110.1	I60 M69 L71 V91 T92 L95	I60-L82 HydrophobicContact CB-CD2 4.38Å; I60-L82 HydrophobicContact CD1-CD2 4.44Å; I60-L82 HydrophobicContact CG2-CD1 4.1Å; I60-L82 HydrophobicContact CG2-CD2 3.68Å; M69-L82 HydrophobicContact CB-CD1 3.78Å; M69-L82 HydrophobicContact CG-CD1 4.48Å; M69-L82 HydrophobicContact SD-CD1 4.14Å; L71-L82 HydrophobicContact CD2-CB 3.79Å; L71-L82 HydrophobicContact CD2-CD1 3.59Å; L71-L82 HydrophobicContact CD2-CG 4.27Å; L71-L82 HydrophobicContact CG-CD1 4.47Å; L82-V91 CarbonylContact O-C 3.49Å; L82-V91 VanDerWaalsContact O-CA 3.29Å; L82-V91 WeakPolarHBondContact O-CA 3.01Å; L82-T92 PolarHBondContact N-O 3.26Å; L82-T92 PolarHBondContact O-N 3.31Å; L82-L95 HydrophobicContact CB-CD1 3.54Å; L82-L95 HydrophobicContact CD2-CD1 4.16Å; L82-L95 HydrophobicContact CG-CD1 4.49Å
83	I	87.7	Confident	84.1	Confident	59 Å²	59	60.3 Å²	60.3	30%	0.303	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	108.8	159.7	-54.9	172.3	0	0	0	106.3	I70 V91	I70-I83 HydrophobicContact CB-CB 4.2Å; I70-I83 HydrophobicContact CB-CD1 4.36Å; I70-I83 HydrophobicContact CG2-CD1 4.39Å; I70-I83 PolarHBondContact N-O 2.86Å; I70-I83 PolarHBondContact O-N 3.26Å; I83-V91 HydrophobicContact CG1-CG2 4.45Å
84	D	81	Confident	83.7	Confident	13 Å²	13	62.9 Å²	62.9	7%	0.07	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.5	-179.5	-170.9	-28.7	0	0	0	109.9	Q66 N86 Q89 K90	Q66-D84 PolarHBondContact NE2-OD1 3.07Å; Q66-D84 PolarHBondContact NE2-OD2 3.47Å; Q66-D84 PolarHBondContact OE1-OD1 3.03Å; D84-N86 PolarHBondContact O-N 3.01Å; D84-N86 VanDerWaalsContact OD1-CB 3.26Å; D84-N86 WeakPolarHBondContact OD1-CB 3.16Å; D84-N86 VanDerWaalsContact OD1-CG 3.31Å; D84-N86 PolarHBondContact OD1-N 3.46Å; D84-N86 PolarHBondContact OD1-ND2 3.35Å; D84-N86 PolarHBondContact OD2-ND2 2.99Å; D84-Q89 WeakPolarHBondContact O-CA 3.37Å; D84-K90 WeakPolarHBondContact CB-O 3.42Å; D84-K90 PolarHBondContact N-O 2.82Å
85	G	74.6	Confident	83.5	Confident	10 Å²	10	64.6 Å²	64.6	10%	0.103	35%	0.346	C	S	.	.			trans	-78.5	-0	178.2	0	0	0	0	0	115.3	W68	W68-G85 VanDerWaalsContact CD2-CA 3.49Å; W68-G85 VanDerWaalsContact CZ2-CA 3.44Å; W68-G85 PolarHBondContact NE1-O 3.27Å; W68-G85 WeakPolarHBondContact O-CA 3.41Å; W68-G85 PolarHBondContact O-N 3.44Å
86	N	70.8	Confident	83.4	Confident	56 Å²	56	65.5 Å²	65.5	30%	0.299	35%	0.352	S	S	.	.	S	Bend	trans	-60.2	156.1	168.2	-77.6	-58.2	0	0	0	111.3	Q66 D84 T88 Q89	Q66-N86 PolarHBondContact NE2-ND2 2.94Å; Q66-N86 PolarHBondContact OE1-ND2 2.98Å; Q66-N86 VanDerWaalsContact OE1-ND2 3.07Å; D84-N86 PolarHBondContact O-N 3.01Å; D84-N86 VanDerWaalsContact OD1-CB 3.26Å; D84-N86 WeakPolarHBondContact OD1-CB 3.16Å; D84-N86 VanDerWaalsContact OD1-CG 3.31Å; D84-N86 PolarHBondContact OD1-N 3.46Å; D84-N86 PolarHBondContact OD1-ND2 3.35Å; D84-N86 PolarHBondContact OD2-ND2 2.99Å; N86-T88 PolarHBondContact O-N 2.93Å; N86-Q89 PolarHBondContact O-N 2.91Å
87	P	59.9	Low	83.3	Confident	110 Å²	110	60.8 Å²	60.8	71%	0.714	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-22.6	-177.4	-24.5	32.7	0	0	0	114.7	Q89	P87-Q89 VanDerWaalsContact C-N 3.28Å
88	T	66.8	Low	82.6	Confident	114 Å²	114	59.4 Å²	59.4	70%	0.699	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.2	177.2	54.6	0	0	0	0	113.5	N86 K90	N86-T88 PolarHBondContact O-N 2.93Å; T88-K90 PolarHBondContact O-N 3.08Å; T88-K90 VanDerWaalsContact O-N 3.08Å
89	Q	67.3	Low	82.1	Confident	104 Å²	104	54.4 Å²	54.4	49%	0.486	31%	0.312	S	S	.	.			trans	45.7	40.2	-179.9	-64.6	-176.2	-10.8	0	0	113.5	D84 N86 P87 V91	D84-Q89 WeakPolarHBondContact O-CA 3.37Å; N86-Q89 PolarHBondContact O-N 2.91Å; P87-Q89 VanDerWaalsContact C-N 3.28Å; Q89-V91 PolarHBondContact O-N 2.61Å
90	K	78.6	Confident	81.4	Confident	138 Å²	138	57.2 Å²	57.2	60%	0.6	33%	0.329	S	S	*	.			trans	-66.4	132.5	-174.4	-172.4	179.3	177	-176.1	0	110.1	D84 T88	D84-K90 WeakPolarHBondContact CB-O 3.42Å; D84-K90 PolarHBondContact N-O 2.82Å; T88-K90 PolarHBondContact O-N 3.08Å; T88-K90 VanDerWaalsContact O-N 3.08Å
91	V	83.2	Confident	80.6	Confident	66 Å²	66	59 Å²	59	40%	0.4	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.7	171.3	-176.6	0	0	0	0	109.6	I81 L82 I83 Q89 K93	I81-V91 HydrophobicContact CG2-CG1 3.61Å; L82-V91 CarbonylContact O-C 3.49Å; L82-V91 VanDerWaalsContact O-CA 3.29Å; L82-V91 WeakPolarHBondContact O-CA 3.01Å; I83-V91 HydrophobicContact CG1-CG2 4.45Å; Q89-V91 PolarHBondContact O-N 2.61Å; V91-K93 HydrophobicContact CG1-CG 4.15Å
92	T	85.9	Confident	79.9	Confident	48 Å²	48	62.1 Å²	62.1	29%	0.294	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	129	172.7	-55.7	0	0	0	0	108.7	I81 L82 L95	I81-T92 CarbonylContact C-O 3.35Å; I81-T92 WeakPolarHBondContact CA-O 3.39Å; L82-T92 PolarHBondContact N-O 3.26Å; L82-T92 PolarHBondContact O-N 3.31Å; T92-L95 HydrophobicContact CG2-CD1 4.33Å; T92-L95 HydrophobicContact CG2-CD2 4.01Å; T92-L95 HydrophobicContact CG2-CG 4.2Å
93	K	85.4	Confident	79.6	Confident	113 Å²	113	66.2 Å²	66.2	49%	0.491	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	158.1	-174.9	-58.9	173.5	-173	174.6	0	109.6	I81 V91 E309	I81-K93 HydrophobicContact CG2-CG 4.17Å; V91-K93 HydrophobicContact CG1-CG 4.15Å; K93-E309 WeakPolarHBondContact CE-OE1 3.35Å; K93-E309 IonicContact NZ-OE1 2.77Å; K93-E309 PolarHBondContact NZ-OE1 3.17Å; K93-E309 IonicContact NZ-OE2 3.24Å; K93-E309 PolarHBondContact NZ-OE2 3.22Å
94	G	84.6	Confident	79.7	Confident	54 Å²	54	63.4 Å²	63.4	56%	0.557	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	79.4	21.8	171.3	0	0	0	0	0	114	T79 E96	T79-G94 WeakPolarHBondContact OG1-CA 3.46Å; G94-E96 PolarHBondContact O-N 3.03Å
95	L	90.1	Very high	80.2	Confident	36 Å²	36	62.8 Å²	62.8	19%	0.188	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	123.8	174.5	-61.3	172.8	0	0	0	108.4	T79 L80 L82 T92 P105	T79-L95 CarbonylContact C-O 3.59Å; T79-L95 WeakPolarHBondContact CA-O 3.41Å; T79-L95 WeakPolarHBondContact CB-O 3.41Å; T79-L95 PolarHBondContact OG1-N 3.26Å; T79-L95 VanDerWaalsContact OG1-N 3.15Å; T79-L95 PolarHBondContact OG1-O 2.98Å; L80-L95 HydrophobicContact CB-CB 4.15Å; L80-L95 PolarHBondContact N-O 2.89Å; L80-L95 PolarHBondContact O-N 2.68Å; L82-L95 HydrophobicContact CB-CD1 3.54Å; L82-L95 HydrophobicContact CD2-CD1 4.16Å; L82-L95 HydrophobicContact CG-CD1 4.49Å; T92-L95 HydrophobicContact CG2-CD1 4.33Å; T92-L95 HydrophobicContact CG2-CD2 4.01Å; T92-L95 HydrophobicContact CG2-CG 4.2Å; L95-P105 HydrophobicContact CD1-CG 3.72Å
96	E	89.8	Confident	81	Confident	95 Å²	95	62.3 Å²	62.3	44%	0.444	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	136.2	-175.2	-68.2	179.7	151.4	0	0	111	G94 T99 K103 D104	G94-E96 PolarHBondContact O-N 3.03Å; E96-T99 HydrophobicContact CB-CG2 3.73Å; E96-T99 PolarHBondContact O-OG1 3.03Å; E96-K103 WeakPolarHBondContact OE2-CD 3.34Å; E96-K103 IonicContact OE2-NZ 3.63Å; E96-K103 PolarHBondContact OE2-NZ 3.39Å; E96-K103 VanDerWaalsContact OE2-NZ 3.11Å; E96-D104 WeakPolarHBondContact O-CB 3.3Å
97	I	88.9	Confident	81.9	Confident	16 Å²	16	62.2 Å²	62.2	8%	0.082	35%	0.351	C	S	.	.	S	Bend	trans	-89.5	141.8	176.8	-68.4	174.9	0	0	0	110.4	K73 K78 L80 T99 W168	K73-I97 HydrophobicContact CB-CD1 4.47Å; K73-I97 HydrophobicContact CD-CD1 4.04Å; K73-I97 HydrophobicContact CG-CD1 3.28Å; K78-I97 PolarHBondContact O-N 3.3Å; K78-I97 VanDerWaalsContact O-N 3.16Å; L80-I97 HydrophobicContact CD1-CG1 3.99Å; L80-I97 HydrophobicContact CD2-CD1 3.81Å; L80-I97 HydrophobicContact CD2-CG1 4.11Å; L80-I97 HydrophobicContact CG-CD1 3.79Å; L80-I97 HydrophobicContact CG-CG1 3.55Å; I97-T99 PolarHBondContact O-N 2.87Å; I97-W168 HydrophobicContact CD1-CH2 4.33Å; I97-W168 HydrophobicContact CD1-CZ2 4.44Å; I97-W168 HydrophobicContact CG2-CB 4.17Å; I97-W168 HydrophobicContact CG2-CD2 3.39Å; I97-W168 HydrophobicContact CG2-CE3 4.16Å; I97-W168 HydrophobicContact CG2-CG 3.37Å; I97-W168 HydrophobicContact CG2-CZ2 3.96Å; I97-W168 VanDerWaalsContact CG2-NE1 3.29Å
98	G	79.2	Confident	83.4	Confident	37 Å²	37	57.1 Å²	57.1	38%	0.381	32%	0.319	S	S	.	.	S	Bend	trans	78	3.3	170.2	0	0	0	0	0	114.1	D104	G98-D104 PolarHBondContact N-OD2 3.36Å
99	T	81	Confident	84.5	Confident	44 Å²	44	51.7 Å²	51.7	27%	0.27	29%	0.285	S	S	.	.	S	Bend	trans	-84.6	-148.4	175.9	55.8	0	0	0	0	110.6	E96 I97 K103 R107	E96-T99 HydrophobicContact CB-CG2 3.73Å; E96-T99 PolarHBondContact O-OG1 3.03Å; I97-T99 PolarHBondContact O-N 2.87Å; T99-K103 VanDerWaalsContact OG1-CB 3.3Å; T99-K103 WeakPolarHBondContact OG1-CB 3.26Å; T99-R107 WeakPolarHBondContact O-CD 2.85Å; T99-R107 PolarHBondContact O-NH1 2.51Å
100	T	80	Confident	85.3	Confident	75 Å²	75	46.8 Å²	46.8	46%	0.46	26%	0.262	S	S	.	.			trans	-78.2	158.2	176.3	48.9	0	0	0	0	111.9	D102 K103 D104	T100-D102 WeakPolarHBondContact CB-OD1 3.48Å; T100-D102 PolarHBondContact O-N 2.77Å; T100-D102 VanDerWaalsContact O-N 3.17Å; T100-D102 PolarHBondContact OG1-OD1 3.27Å; T100-K103 PolarHBondContact O-N 3.21Å; T100-D104 PolarHBondContact O-N 2.99Å; T100-D104 VanDerWaalsContact O-N 3.09Å
101	A	75.4	Confident	85.4	Confident	37 Å²	37	42.2 Å²	42.2	31%	0.306	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-21.5	-177.3	0	0	0	0	0	114.2	K103 A108	A101-K103 VanDerWaalsContact C-N 3.26Å; A101-K103 PolarHBondContact O-N 2.84Å; A101-A108 HydrophobicContact CB-CB 4.41Å; A101-A108 VanDerWaalsContact O-CB 3.24Å; A101-A108 WeakPolarHBondContact O-CB 3.46Å
102	D	77.5	Confident	84.8	Confident	75 Å²	75	39.4 Å²	39.4	40%	0.401	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-18.6	173.3	60.3	-58.9	0	0	0	113.5	G61 T100	G61-D102 WeakPolarHBondContact CA-O 3.45Å; T100-D102 WeakPolarHBondContact CB-OD1 3.48Å; T100-D102 PolarHBondContact O-N 2.77Å; T100-D102 VanDerWaalsContact O-N 3.17Å; T100-D102 PolarHBondContact OG1-OD1 3.27Å
103	K	83.7	Confident	84	Confident	90 Å²	90	38.1 Å²	38.1	39%	0.391	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-28.4	-176.5	-66.1	-176.2	176.9	-172.5	0	114.4	E96 T99 T100 A101 P105	E96-K103 WeakPolarHBondContact OE2-CD 3.34Å; E96-K103 IonicContact OE2-NZ 3.63Å; E96-K103 PolarHBondContact OE2-NZ 3.39Å; E96-K103 VanDerWaalsContact OE2-NZ 3.11Å; T99-K103 VanDerWaalsContact OG1-CB 3.3Å; T99-K103 WeakPolarHBondContact OG1-CB 3.26Å; T100-K103 PolarHBondContact O-N 3.21Å; A101-K103 VanDerWaalsContact C-N 3.26Å; A101-K103 PolarHBondContact O-N 2.84Å; K103-P105 WeakPolarHBondContact O-CD 3.36Å
104	D	90.2	Very high	83	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.209	C	C	.	.			trans	-108.2	103.5	-179.1	-177.9	-17.3	0	0	0	110	E96 G98 T100 V106 R107 A108 Y166	E96-D104 WeakPolarHBondContact O-CB 3.3Å; G98-D104 PolarHBondContact N-OD2 3.36Å; T100-D104 PolarHBondContact O-N 2.99Å; T100-D104 VanDerWaalsContact O-N 3.09Å; D104-V106 PolarHBondContact O-N 3.11Å; D104-V106 WeakPolarHBondContact OD1-CA 2.95Å; D104-V106 VanDerWaalsContact OD1-CB 3.31Å; D104-V106 WeakPolarHBondContact OD1-CB 3.34Å; D104-V106 PolarHBondContact OD1-N 3.47Å; D104-R107 HydrophobicContact CB-CB 3.76Å; D104-R107 PolarHBondContact O-N 3.09Å; D104-R107 PolarHBondContact OD1-N 3.48Å; D104-A108 WeakPolarHBondContact O-CB 3.02Å; D104-A108 PolarHBondContact O-N 3.17Å; D104-Y166 VanDerWaalsContact CG-OH 3.32Å; D104-Y166 PolarHBondContact OD1-OH 3.39Å; D104-Y166 WeakPolarHBondContact OD2-CE1 3.5Å; D104-Y166 PolarHBondContact OD2-OH 2.87Å
105	P	91.5	Very high	81.8	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-59.8	-30.5	177.6	-25.1	34.4	0	0	0	114.4	I60 M69 L71 L95 K103 T109	I60-P105 HydrophobicContact CG2-CB 4.36Å; M69-P105 HydrophobicContact CE-CB 4.37Å; M69-P105 HydrophobicContact SD-CB 4.36Å; L71-P105 HydrophobicContact CD1-CB 3.98Å; L71-P105 HydrophobicContact CD2-CB 3.96Å; L71-P105 HydrophobicContact CD2-CG 4.01Å; L95-P105 HydrophobicContact CD1-CG 3.72Å; K103-P105 WeakPolarHBondContact O-CD 3.36Å; P105-T109 WeakPolarHBondContact O-CB 3.5Å; P105-T109 PolarHBondContact O-N 3.09Å; P105-T109 PolarHBondContact O-OG1 3.31Å
106	V	91.8	Very high	80	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-66.8	-52.9	176.2	-177.5	0	0	0	0	107.2	L71 L80 D104 A108 T109 F110 M153 F160 Y166 F179	L71-V106 HydrophobicContact CD1-CG2 3.53Å; L80-V106 HydrophobicContact CD1-CG2 3.8Å; D104-V106 PolarHBondContact O-N 3.11Å; D104-V106 WeakPolarHBondContact OD1-CA 2.95Å; D104-V106 VanDerWaalsContact OD1-CB 3.31Å; D104-V106 WeakPolarHBondContact OD1-CB 3.34Å; D104-V106 PolarHBondContact OD1-N 3.47Å; V106-A108 VanDerWaalsContact C-N 3.31Å; V106-A108 PolarHBondContact O-N 2.98Å; V106-T109 PolarHBondContact O-N 2.94Å; V106-T109 VanDerWaalsContact O-N 3.14Å; V106-F110 HydrophobicContact CG1-CD2 3.76Å; V106-F110 HydrophobicContact CG1-CE2 3.76Å; V106-F110 WeakPolarHBondContact O-CD2 3.37Å; V106-F110 PolarHBondContact O-N 3.15Å; V106-M153 HydrophobicContact CG1-CE 4.37Å; V106-F160 HydrophobicContact CG1-CE1 3.77Å; V106-F160 HydrophobicContact CG1-CZ 3.63Å; V106-Y166 WeakPolarHBondContact CB-OH 3.41Å; V106-Y166 HydrophobicContact CG1-CE2 4.06Å; V106-Y166 WeakPolarHBondContact CG1-OH 3.4Å; V106-F179 HydrophobicContact CG1-CD1 4.49Å; V106-F179 HydrophobicContact CG1-CE1 4.06Å; V106-F179 HydrophobicContact CG2-CD1 4.2Å; V106-F179 HydrophobicContact CG2-CE1 4.15Å; V106-F179 HydrophobicContact CG2-CE2 4.45Å; V106-F179 HydrophobicContact CG2-CG 4.39Å; V106-F179 HydrophobicContact CG2-CZ 4.25Å
107	R	89.7	Confident	78	Confident	53 Å²	53	36.4 Å²	36.4	20%	0.2	20%	0.202	C	C	.	.	H	α-helix	trans	-58.3	-41	175.6	-166.6	179.7	-172.8	123.9	11.7	112.7	T99 D104 T109 F110 S111 D114 Y166	T99-R107 WeakPolarHBondContact O-CD 2.85Å; T99-R107 PolarHBondContact O-NH1 2.51Å; D104-R107 HydrophobicContact CB-CB 3.76Å; D104-R107 PolarHBondContact O-N 3.09Å; D104-R107 PolarHBondContact OD1-N 3.48Å; R107-T109 VanDerWaalsContact C-N 3.31Å; R107-T109 PolarHBondContact O-N 2.86Å; R107-F110 CarbonylContact O-C 3.43Å; R107-F110 WeakPolarHBondContact O-CA 3.25Å; R107-F110 PolarHBondContact O-N 3.28Å; R107-S111 PolarHBondContact O-N 3.4Å; R107-D114 IonicContact CZ-OD1 3.07Å; R107-D114 IonicContact CZ-OD2 3.31Å; R107-D114 IonicContact NE-OD1 2.92Å; R107-D114 IonicContact NE-OD2 2.7Å; R107-D114 PolarHBondContact NE-OD2 3.23Å; R107-D114 IonicContact NH2-OD1 3.11Å; R107-D114 PolarHBondContact NH2-OD1 3.14Å; R107-D114 IonicContact NH2-OD2 3.91Å; R107-D114 PolarHBondContact NH2-OD2 3.44Å; R107-Y166 HydrophobicContact CB-CD1 4.38Å; R107-Y166 HydrophobicContact CB-CE1 3.77Å; R107-Y166 HydrophobicContact CB-CE2 4.13Å; R107-Y166 HydrophobicContact CG-CD1 4.11Å; R107-Y166 HydrophobicContact CG-CE1 4.01Å; R107-Y166 HydrophobicContact CG-CE2 4.47Å; R107-Y166 HydrophobicContact CG-CG 4.39Å; R107-Y166 PolarHBondContact N-OH 3.29Å; R107-Y166 VanDerWaalsContact N-OH 3.15Å
108	A	90	Very high	75.9	Confident	4 Å²	4	42.2 Å²	42.2	3%	0.033	23%	0.229	C	C	.	.	H	α-helix	trans	-57.3	-46.1	177.4	0	0	0	0	0	111.5	R59 A101 D104 V106 F110 S111	R59-A108 HydrophobicContact CB-CB 3.81Å; R59-A108 WeakPolarHBondContact CD-O 3.34Å; A101-A108 HydrophobicContact CB-CB 4.41Å; A101-A108 VanDerWaalsContact O-CB 3.24Å; A101-A108 WeakPolarHBondContact O-CB 3.46Å; D104-A108 WeakPolarHBondContact O-CB 3.02Å; D104-A108 PolarHBondContact O-N 3.17Å; V106-A108 VanDerWaalsContact C-N 3.31Å; V106-A108 PolarHBondContact O-N 2.98Å; A108-F110 VanDerWaalsContact C-N 3.27Å; A108-F110 PolarHBondContact O-N 2.69Å; A108-S111 VanDerWaalsContact O-CB 3.32Å; A108-S111 WeakPolarHBondContact O-CB 3.15Å; A108-S111 PolarHBondContact O-N 2.96Å; A108-S111 VanDerWaalsContact O-N 3.15Å; A108-S111 PolarHBondContact O-OG 3.19Å
109	T	90.4	Very high	74	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.7	-36.2	176.5	-56	0	0	0	0	111	R59 M69 P105 V106 R107 S111 W112 F151 M153	R59-T109 PolarHBondContact N-OG1 3.45Å; R59-T109 PolarHBondContact O-OG1 3.28Å; M69-T109 WeakPolarHBondContact CE-OG1 3.35Å; P105-T109 WeakPolarHBondContact O-CB 3.5Å; P105-T109 PolarHBondContact O-N 3.09Å; P105-T109 PolarHBondContact O-OG1 3.31Å; V106-T109 PolarHBondContact O-N 2.94Å; V106-T109 VanDerWaalsContact O-N 3.14Å; R107-T109 VanDerWaalsContact C-N 3.31Å; R107-T109 PolarHBondContact O-N 2.86Å; T109-S111 VanDerWaalsContact C-N 3.31Å; T109-S111 PolarHBondContact O-N 3.41Å; T109-W112 VanDerWaalsContact O-CD1 3.3Å; T109-W112 PolarHBondContact O-NE1 3.32Å; T109-F151 HydrophobicContact CG2-CD1 4.13Å; T109-F151 HydrophobicContact CG2-CD2 3.79Å; T109-F151 HydrophobicContact CG2-CE1 4.14Å; T109-F151 HydrophobicContact CG2-CE2 3.82Å; T109-F151 HydrophobicContact CG2-CG 3.96Å; T109-F151 HydrophobicContact CG2-CZ 3.99Å; T109-M153 HydrophobicContact CG2-CE 3.83Å
110	F	85.1	Confident	72.2	Confident	1 Å²	1	46 Å²	46	0%	0.004	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	22.1	172.9	-72	-75.5	0	0	0	114.1	V106 R107 A108 W112 Y113 V142 M153 F160 P161 Y166	V106-F110 HydrophobicContact CG1-CD2 3.76Å; V106-F110 HydrophobicContact CG1-CE2 3.76Å; V106-F110 WeakPolarHBondContact O-CD2 3.37Å; V106-F110 PolarHBondContact O-N 3.15Å; R107-F110 CarbonylContact O-C 3.43Å; R107-F110 WeakPolarHBondContact O-CA 3.25Å; R107-F110 PolarHBondContact O-N 3.28Å; A108-F110 VanDerWaalsContact C-N 3.27Å; A108-F110 PolarHBondContact O-N 2.69Å; F110-W112 AromaticContact CD1-CE2 3.86Å; F110-W112 HydrophobicContact CD1-CH2 4.3Å; F110-W112 AromaticContact CD1-CZ2 3.49Å; F110-W112 HydrophobicContact CD1-CZ2 3.49Å; F110-W112 VanDerWaalsContact CD1-CZ2 3.49Å; F110-W112 AromaticContact CD1-NE1 3.97Å; F110-W112 AromaticContact CE1-CZ2 3.76Å; F110-W112 HydrophobicContact CE1-CZ2 3.76Å; F110-W112 PolarHBondContact O-N 3.06Å; F110-Y113 HydrophobicContact CD1-CD2 4.33Å; F110-Y113 WeakPolarHBondContact O-CA 3.12Å; F110-Y113 WeakPolarHBondContact O-CB 3.38Å; F110-Y113 PolarHBondContact O-N 2.79Å; F110-V142 HydrophobicContact CE1-CB 4.1Å; F110-V142 HydrophobicContact CE1-CG1 3.95Å; F110-V142 HydrophobicContact CE1-CG2 3.87Å; F110-V142 HydrophobicContact CZ-CB 4.06Å; F110-V142 HydrophobicContact CZ-CG1 4.41Å; F110-V142 HydrophobicContact CZ-CG2 3.71Å; F110-M153 HydrophobicContact CD2-CE 3.82Å; F110-M153 HydrophobicContact CE2-CE 3.15Å; F110-M153 HydrophobicContact CZ-CE 3.7Å; F110-F160 AromaticContact CE2-CE1 3.8Å; F110-F160 HydrophobicContact CE2-CE1 3.8Å; F110-F160 HydrophobicContact CE2-CZ 4.33Å; F110-F160 HydrophobicContact CZ-CE1 4.3Å; F110-P161 HydrophobicContact CE1-CG 3.9Å; F110-P161 HydrophobicContact CZ-CG 4.13Å; F110-Y166 HydrophobicContact CB-CD2 4.37Å; F110-Y166 HydrophobicContact CB-CE2 4.45Å; F110-Y166 HydrophobicContact CD2-CE2 4.17Å
111	S	79.2	Confident	70.5	Confident	41 Å²	41	49.5 Å²	49.5	29%	0.287	24%	0.243	S	C	.	.	H	α-helix	trans	-61.1	-23.2	-179.1	60.8	0	0	0	0	113.6	R59 R107 A108 T109 Y113	R59-S111 PolarHBondContact NH1-OG 3.04Å; R107-S111 PolarHBondContact O-N 3.4Å; A108-S111 VanDerWaalsContact O-CB 3.32Å; A108-S111 WeakPolarHBondContact O-CB 3.15Å; A108-S111 PolarHBondContact O-N 2.96Å; A108-S111 VanDerWaalsContact O-N 3.15Å; A108-S111 PolarHBondContact O-OG 3.19Å; T109-S111 VanDerWaalsContact C-N 3.31Å; T109-S111 PolarHBondContact O-N 3.41Å; S111-Y113 PolarHBondContact O-N 3.32Å
112	W	71.9	Confident	68.9	Low	8 Å²	8	55.4 Å²	55.4	3%	0.03	26%	0.264	C	S	.	.	H	α-helix	trans	-65.2	-21.4	171.1	59.2	-90.6	0	0	0	113.3	F25 Y28 T109 F110 V142 V144 F151	F25-W112 HydrophobicContact CD1-CZ3 4.13Å; F25-W112 AromaticContact CE1-CH2 3.54Å; F25-W112 HydrophobicContact CE1-CH2 3.54Å; F25-W112 AromaticContact CE1-CZ3 3.47Å; F25-W112 HydrophobicContact CE1-CZ3 3.47Å; F25-W112 VanDerWaalsContact CE1-CZ3 3.47Å; F25-W112 HydrophobicContact CZ-CH2 4.17Å; F25-W112 HydrophobicContact CZ-CZ3 4.36Å; Y28-W112 HydrophobicContact CE1-CB 4.29Å; Y28-W112 HydrophobicContact CE2-CB 4.08Å; Y28-W112 WeakPolarHBondContact OH-CB 3.32Å; T109-W112 VanDerWaalsContact O-CD1 3.3Å; T109-W112 PolarHBondContact O-NE1 3.32Å; F110-W112 AromaticContact CD1-CE2 3.86Å; F110-W112 HydrophobicContact CD1-CH2 4.3Å; F110-W112 AromaticContact CD1-CZ2 3.49Å; F110-W112 HydrophobicContact CD1-CZ2 3.49Å; F110-W112 VanDerWaalsContact CD1-CZ2 3.49Å; F110-W112 AromaticContact CD1-NE1 3.97Å; F110-W112 AromaticContact CE1-CZ2 3.76Å; F110-W112 HydrophobicContact CE1-CZ2 3.76Å; F110-W112 PolarHBondContact O-N 3.06Å; W112-V142 HydrophobicContact CZ2-CG1 4.27Å; W112-V144 HydrophobicContact CH2-CG2 4.37Å; W112-V144 HydrophobicContact CZ2-CG2 3.67Å; W112-F151 HydrophobicContact CZ2-CZ 4.21Å; W112-F151 AromaticContact NE1-CE1 3.42Å; W112-F151 AromaticContact NE1-CZ 3.35Å; W112-F151 VanDerWaalsContact NE1-CZ 3.35Å
113	Y	68.4	Low	66.9	Low	20 Å²	20	57.4 Å²	57.4	8%	0.078	27%	0.274	C	S	.	.	H	α-helix	trans	-71.8	-41.8	-177.6	-152.5	-95.4	0	0	0	113.1	F110 S111 N115 C116 P161 D162 I163	F110-Y113 HydrophobicContact CD1-CD2 4.33Å; F110-Y113 WeakPolarHBondContact O-CA 3.12Å; F110-Y113 WeakPolarHBondContact O-CB 3.38Å; F110-Y113 PolarHBondContact O-N 2.79Å; S111-Y113 PolarHBondContact O-N 3.32Å; Y113-N115 PolarHBondContact O-N 3.41Å; Y113-C116 WeakPolarHBondContact O-CB 2.99Å; Y113-C116 PolarHBondContact O-N 3.42Å; Y113-P161 HydrophobicContact CE2-CB 4.48Å; Y113-P161 HydrophobicContact CE2-CG 4.39Å; Y113-D162 VanDerWaalsContact CZ-O 3.26Å; Y113-D162 PolarHBondContact OH-O 2.68Å; Y113-I163 WeakPolarHBondContact OH-CA 3.33Å; Y113-I163 PolarHBondContact OH-N 3.43Å; Y113-I163 PolarHBondContact OH-O 2.66Å
114	D	65.4	Low	64.6	Low	50 Å²	50	61.6 Å²	61.6	27%	0.267	30%	0.301	S	S	.	.	H	α-helix	trans	-63	-35.7	-178.9	-75	-29.1	0	0	0	110.9	R107 C116 K117	R107-D114 IonicContact CZ-OD1 3.07Å; R107-D114 IonicContact CZ-OD2 3.31Å; R107-D114 IonicContact NE-OD1 2.92Å; R107-D114 IonicContact NE-OD2 2.7Å; R107-D114 PolarHBondContact NE-OD2 3.23Å; R107-D114 IonicContact NH2-OD1 3.11Å; R107-D114 PolarHBondContact NH2-OD1 3.14Å; R107-D114 IonicContact NH2-OD2 3.91Å; R107-D114 PolarHBondContact NH2-OD2 3.44Å; D114-C116 PolarHBondContact O-N 2.99Å; D114-K117 WeakPolarHBondContact O-CB 2.97Å; D114-K117 PolarHBondContact O-N 3.45Å; D114-K117 VanDerWaalsContact O-N 3.12Å
115	N	59.3	Low	62	Low	77 Å²	77	64.7 Å²	64.7	41%	0.412	33%	0.333	S	S	.	.	H	α-helix	trans	-67.2	-20.1	176.3	-67.1	-17.8	0	0	0	113.6	Y28 Y113 K117	Y28-N115 HydrophobicContact CD2-CB 4.44Å; Y28-N115 HydrophobicContact CE2-CB 4.2Å; Y113-N115 PolarHBondContact O-N 3.41Å; N115-K117 VanDerWaalsContact C-N 3.34Å
116	C	52.1	Low	59.1	Low	21 Å²	21	74.4 Å²	74.4	14%	0.142	38%	0.375	C	S	.	.	H	α-helix	trans	-75.5	-24.4	174.7	-66.6	0	0	0	0	112.1	Y113 D114	Y113-C116 WeakPolarHBondContact O-CB 2.99Å; Y113-C116 PolarHBondContact O-N 3.42Å; D114-C116 PolarHBondContact O-N 2.99Å
117	K	47.1	Very low	56.4	Low	114 Å²	114	84 Å²	84	50%	0.496	42%	0.417	S	S	.	.	H	α-helix	trans	-74.8	-47.4	-178.5	-171.5	-171.1	172.9	-165.6	0	112.2	D114 N115 K119 K120	D114-K117 WeakPolarHBondContact O-CB 2.97Å; D114-K117 PolarHBondContact O-N 3.45Å; D114-K117 VanDerWaalsContact O-N 3.12Å; N115-K117 VanDerWaalsContact C-N 3.34Å; K117-K119 PolarHBondContact O-N 3.15Å; K117-K119 VanDerWaalsContact O-N 3.11Å; K117-K120 PolarHBondContact O-N 3.04Å; K117-K120 VanDerWaalsContact O-N 3.09Å
118	E	45.4	Very low	53.6	Low	138 Å²	138	90 Å²	90	65%	0.645	45%	0.447	S	S	*	.	H	α-helix	trans	-56.1	-33.4	-177	-67.5	-177.8	167.2	0	0	111.9
119	K	39.9	Very low	50.9	Low	69 Å²	69	92.6 Å²	92.6	30%	0.3	48%	0.475	S	S	.	.	H	α-helix	trans	-80.8	-25.4	-179.6	-66	-166.9	170.8	-156.3	0	115.2	D31 K117 E121 E122 N123	D31-K119 IonicContact OD1-NZ 3.65Å; D31-K119 PolarHBondContact OD1-NZ 3.34Å; D31-K119 IonicContact OD2-NZ 3.85Å; K117-K119 PolarHBondContact O-N 3.15Å; K117-K119 VanDerWaalsContact O-N 3.11Å; K119-E121 VanDerWaalsContact C-N 3.28Å; K119-E122 PolarHBondContact O-N 3.36Å; K119-N123 PolarHBondContact O-N 2.66Å
120	K	42.8	Very low	48.2	Very low	91 Å²	91	99.6 Å²	99.6	40%	0.396	51%	0.512	S	S	.	.	H	α-helix	trans	-69.7	-26.5	173.8	-84.9	-176.7	175.7	171.7	0	112	K117 N123 D164	K117-K120 PolarHBondContact O-N 3.04Å; K117-K120 VanDerWaalsContact O-N 3.09Å; K120-N123 VanDerWaalsContact O-O 3.07Å; K120-D164 IonicContact NZ-OD1 3.51Å; K120-D164 PolarHBondContact NZ-OD1 3.14Å
121	E	44	Very low	45.8	Very low	150 Å²	150	108.2 Å²	108.2	70%	0.701	55%	0.553	S	S	*	*	H	α-helix	trans	-80.4	-25.1	176.6	-70.1	179	-172.6	0	0	112.1	K119	K119-E121 VanDerWaalsContact C-N 3.28Å
122	E	41.5	Very low	44.1	Very low	161 Å²	161	109.9 Å²	109.9	75%	0.752	56%	0.556	S	S	*	*	H	α-helix	trans	-81.1	-38.2	175	-74.9	-175.6	151.4	0	0	113.6	K119	K119-E122 PolarHBondContact O-N 3.36Å
123	N	35.6	Very low	42.5	Very low	116 Å²	116	114.2 Å²	114.2	62%	0.62	58%	0.576	S	S	*	*	S	Bend	trans	-96	110.5	176.3	-77.8	-28.9	0	0	0	109.8	K119 K120 G125	K119-N123 PolarHBondContact O-N 2.66Å; K120-N123 VanDerWaalsContact O-O 3.07Å; N123-G125 PolarHBondContact O-N 2.71Å
124	N	35.9	Very low	41.1	Very low	178 Å²	178	118.6 Å²	118.6	95%	0.952	60%	0.597	S	S	*	*			trans	-63.8	41.8	178.6	-123.9	-11	0	0	0	113.9
125	G	35.7	Very low	39.9	Very low	65 Å²	65	117.3 Å²	117.3	67%	0.67	60%	0.596	S	S	*	*			trans	-88.5	127.6	-173.4	0	0	0	0	0	112.5	N123	N123-G125 PolarHBondContact O-N 2.71Å
126	K	30	Very low	39.2	Very low	205 Å²	205	121.3 Å²	121.3	89%	0.891	62%	0.618	S	S	*	*			trans	-52.9	137.6	177.2	-95.6	175.1	173.4	173.7	0	112.6	Q128	K126-Q128 PolarHBondContact O-N 3.42Å
127	K	34.7	Very low	39.1	Very low	202 Å²	202	126 Å²	126	88%	0.878	64%	0.638	S	S	*	*			trans	-47.1	115.1	165.2	-65.8	-178.6	175	-173.5	0	110.8
128	Q	30.3	Very low	39.7	Very low	178 Å²	178	122.7 Å²	122.7	83%	0.832	62%	0.624	S	S	*	*			trans	-115.9	83.5	153.6	-86.3	-176.1	-8.1	0	0	107.2	K126	K126-Q128 PolarHBondContact O-N 3.42Å
129	G	34	Very low	40.7	Very low	60 Å²	60	119.1 Å²	119.1	62%	0.619	61%	0.607	S	S	*	*			trans	-136.7	87.8	165.4	0	0	0	0	0	105.3
130	D	34.1	Very low	42.9	Very low	147 Å²	147	117.2 Å²	117.2	79%	0.786	60%	0.599	S	S	*	*			trans	-63	148.5	164.5	-75.7	-31.4	0	0	0	108.1	Q132	D130-Q132 PolarHBondContact O-N 2.86Å
131	E	34.8	Very low	45.2	Very low	182 Å²	182	114.6 Å²	114.6	85%	0.85	60%	0.598	S	S	*	*			trans	-34.9	123.2	-172.5	-70.3	176.4	150.4	0	0	112.6	Q133	E131-Q133 VanDerWaalsContact C-N 3.32Å; E131-Q133 PolarHBondContact O-N 3.43Å
132	Q	43.8	Very low	47.5	Very low	76 Å²	76	108.2 Å²	108.2	36%	0.355	57%	0.57	S	S	.	*			trans	-52.4	102.6	162.7	-87.8	-177.3	-39.1	0	0	107	D130 Q134 G159 I163	D130-Q132 PolarHBondContact O-N 2.86Å; Q132-Q134 VanDerWaalsContact C-N 3.27Å; Q132-Q134 PolarHBondContact O-N 3.19Å; Q132-G159 PolarHBondContact NE2-O 3.46Å; Q132-I163 HydrophobicContact CG-CD1 4.43Å
133	Q	38.5	Very low	49.9	Very low	99 Å²	99	102.4 Å²	102.4	46%	0.463	54%	0.542	S	S	.	.			trans	-63.6	100.5	163.5	-80.1	-175.9	-13.9	0	0	105.8	E131 G135	E131-Q133 VanDerWaalsContact C-N 3.32Å; E131-Q133 PolarHBondContact O-N 3.43Å; Q133-G135 PolarHBondContact O-N 3.03Å
134	Q	38.5	Very low	52.6	Low	111 Å²	111	98 Å²	98	52%	0.519	52%	0.519	S	S	.	.			trans	-59.4	91	162.8	-104.8	173.4	4.6	0	0	106.1	Q132 D136	Q132-Q134 VanDerWaalsContact C-N 3.27Å; Q132-Q134 PolarHBondContact O-N 3.19Å; Q134-D136 PolarHBondContact O-N 3.37Å
135	G	39.4	Very low	55.3	Low	24 Å²	24	90.5 Å²	90.5	25%	0.247	48%	0.477	C	S	.	.			trans	-64.3	128.4	160.8	0	0	0	0	0	107	Q133 E137	Q133-G135 PolarHBondContact O-N 3.03Å; G135-E137 PolarHBondContact O-N 2.82Å
136	D	44.2	Very low	57.7	Low	160 Å²	160	88.7 Å²	88.7	86%	0.856	45%	0.45	S	S	*	.			trans	-63.6	12.5	169.5	-73.9	-35.8	0	0	0	112.7	Q134 Q138	Q134-D136 PolarHBondContact O-N 3.37Å; D136-Q138 PolarHBondContact O-N 3.08Å
137	E	50.9	Low	60.5	Low	121 Å²	121	80.2 Å²	80.2	57%	0.565	42%	0.421	S	S	*	.			trans	-70.2	115.8	176.2	-69.4	-168.5	153.4	0	0	110.2	G135 Q139 Q140	G135-E137 PolarHBondContact O-N 2.82Å; E137-Q139 PolarHBondContact O-N 2.81Å; E137-Q140 PolarHBondContact O-NE2 2.97Å
138	Q	59.3	Low	63	Low	44 Å²	44	74.4 Å²	74.4	21%	0.206	40%	0.397	C	S	.	.	S	Bend	trans	-70	-16.6	-174.9	-60.8	161.2	15.7	0	0	113.8	D136 T156 V280 S333	D136-Q138 PolarHBondContact O-N 3.08Å; Q138-T156 WeakPolarHBondContact O-CA 3.43Å; Q138-T156 WeakPolarHBondContact O-CB 3.41Å; Q138-T156 WeakPolarHBondContact O-CG2 3.44Å; Q138-V280 HydrophobicContact CG-CG1 4.27Å; Q138-V280 HydrophobicContact CG-CG2 3.79Å; Q138-S333 WeakPolarHBondContact CB-O 3.5Å; Q138-S333 PolarHBondContact OE1-O 2.89Å; Q138-S333 VanDerWaalsContact OE1-O 3.1Å
139	Q	66.2	Low	65.9	Low	62 Å²	62	66.2 Å²	66.2	29%	0.29	36%	0.359	S	S	.	.			trans	-120.2	114.7	179.7	-171.5	173.4	6.4	0	0	109.5	E137 T154 H155 S333	E137-Q139 PolarHBondContact O-N 2.81Å; Q139-T154 WeakPolarHBondContact CG-OG1 3.46Å; Q139-T154 PolarHBondContact NE2-OG1 2.89Å; Q139-H155 WeakPolarHBondContact CA-O 3.45Å; Q139-S333 VanDerWaalsContact OE1-CB 3.26Å
140	Q	87	Confident	68.7	Low	30 Å²	30	63.3 Å²	63.3	14%	0.14	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	173.6	179.1	-57.7	-170	4.8	0	0	108.2	E137 T154 H155 V157	E137-Q140 PolarHBondContact O-NE2 2.97Å; Q140-T154 CarbonylContact O-C 3.06Å; Q140-T154 VanDerWaalsContact O-CA 3.28Å; Q140-T154 WeakPolarHBondContact O-CA 3.37Å; Q140-T154 PolarHBondContact O-OG1 2.85Å; Q140-H155 VanDerWaalsContact CB-CE1 3.46Å; Q140-H155 WeakPolarHBondContact CB-CE1 3.49Å; Q140-H155 PolarHBondContact N-O 2.7Å; Q140-H155 PolarHBondContact O-N 3.17Å; Q140-V157 PolarHBondContact OE1-O 3.16Å
141	G	90.5	Very high	71.5	Confident	36 Å²	36	56.3 Å²	56.3	37%	0.371	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	164	173.1	0	0	0	0	0	114	M153	G141-M153 CarbonylContact C-O 3.6Å; G141-M153 WeakPolarHBondContact CA-O 3.45Å
142	V	92.3	Very high	74.4	Confident	16 Å²	16	48.4 Å²	48.4	10%	0.097	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.3	177.6	-176.7	0	0	0	0	108.8	F110 W112 V144 F151 F152 M153 P161	F110-V142 HydrophobicContact CE1-CB 4.1Å; F110-V142 HydrophobicContact CE1-CG1 3.95Å; F110-V142 HydrophobicContact CE1-CG2 3.87Å; F110-V142 HydrophobicContact CZ-CB 4.06Å; F110-V142 HydrophobicContact CZ-CG1 4.41Å; F110-V142 HydrophobicContact CZ-CG2 3.71Å; W112-V142 HydrophobicContact CZ2-CG1 4.27Å; V142-V144 HydrophobicContact CG1-CG2 3.97Å; V142-F151 HydrophobicContact CG1-CE2 4.38Å; V142-F152 WeakPolarHBondContact O-CA 3.33Å; V142-F152 WeakPolarHBondContact O-CD2 3.3Å; V142-M153 PolarHBondContact N-O 2.92Å; V142-M153 PolarHBondContact O-N 3.36Å; V142-P161 HydrophobicContact CG2-CG 3.99Å
143	F	93.3	Very high	76.8	Confident	39 Å²	39	44.8 Å²	44.8	17%	0.171	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	118.8	174.6	-176	-82.5	0	0	0	108.8	F152 L184 A189 I192 M193 L196 P217	F143-F152 HydrophobicContact CB-CD2 4.19Å; F143-F152 HydrophobicContact CD2-CB 4.28Å; F143-F152 HydrophobicContact CD2-CD2 4.06Å; F143-L184 HydrophobicContact CD2-CD1 4.04Å; F143-L184 HydrophobicContact CE2-CD1 3.51Å; F143-L184 HydrophobicContact CZ-CD1 3.98Å; F143-A189 HydrophobicContact CE2-CB 4.5Å; F143-A189 HydrophobicContact CZ-CB 4Å; F143-I192 HydrophobicContact CD2-CG2 4.03Å; F143-I192 HydrophobicContact CE2-CB 4.33Å; F143-I192 HydrophobicContact CE2-CG2 4.01Å; F143-M193 HydrophobicContact CB-CE 4.39Å; F143-M193 HydrophobicContact CD1-CE 3.34Å; F143-M193 HydrophobicContact CD2-CE 3.96Å; F143-M193 HydrophobicContact CE1-CE 3.39Å; F143-M193 HydrophobicContact CE2-CE 4Å; F143-M193 HydrophobicContact CG-CE 3.63Å; F143-M193 HydrophobicContact CZ-CB 4.34Å; F143-M193 HydrophobicContact CZ-CE 3.72Å; F143-L196 HydrophobicContact CD2-CD1 4.49Å; F143-P217 HydrophobicContact CE1-CB 4.42Å; F143-P217 HydrophobicContact CE1-CG 4.01Å; F143-P217 HydrophobicContact CZ-CB 4.11Å; F143-P217 HydrophobicContact CZ-CG 3.89Å
144	V	92.3	Very high	79.4	Confident	22 Å²	22	40.6 Å²	40.6	13%	0.133	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	129.2	174.3	-179.9	0	0	0	0	108.2	Y56 W112 V142 G150 F151	Y56-V144 HydrophobicContact CD1-CG1 3.66Å; Y56-V144 HydrophobicContact CE1-CG1 4.14Å; Y56-V144 HydrophobicContact CG-CG1 4.11Å; W112-V144 HydrophobicContact CH2-CG2 4.37Å; W112-V144 HydrophobicContact CZ2-CG2 3.67Å; V142-V144 HydrophobicContact CG1-CG2 3.97Å; V144-G150 CarbonylContact O-C 3.55Å; V144-G150 WeakPolarHBondContact O-CA 3.45Å; V144-F151 HydrophobicContact CB-CD1 4Å; V144-F151 HydrophobicContact CB-CE1 3.56Å; V144-F151 HydrophobicContact CB-CZ 3.86Å; V144-F151 HydrophobicContact CG1-CE1 4.12Å; V144-F151 HydrophobicContact CG2-CE1 3.64Å; V144-F151 HydrophobicContact CG2-CE2 4.19Å; V144-F151 HydrophobicContact CG2-CZ 3.45Å; V144-F151 VanDerWaalsContact CG2-CZ 3.45Å; V144-F151 PolarHBondContact N-O 2.95Å; V144-F151 PolarHBondContact O-N 2.96Å
145	Y	91.5	Very high	82	Confident	21 Å²	21	35.3 Å²	35.3	8%	0.082	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	136.1	177.3	-170.7	-90	0	0	0	110.4	G147 E148 L184 R186 A189 P217	Y145-G147 WeakPolarHBondContact CE1-O 3.35Å; Y145-G147 PolarHBondContact OH-O 3.05Å; Y145-E148 WeakPolarHBondContact OH-CA 3.17Å; Y145-L184 HydrophobicContact CD2-CB 4.42Å; Y145-R186 WeakPolarHBondContact OH-CA 3.37Å; Y145-R186 WeakPolarHBondContact OH-CB 3.42Å; Y145-A189 HydrophobicContact CD2-CB 3.41Å; Y145-A189 VanDerWaalsContact CD2-CB 3.41Å; Y145-A189 HydrophobicContact CE2-CB 3.47Å; Y145-A189 VanDerWaalsContact CE2-CB 3.47Å; Y145-A189 HydrophobicContact CG-CB 4.1Å; Y145-P217 HydrophobicContact CD1-CG 3.53Å; Y145-P217 HydrophobicContact CD2-CG 4.46Å; Y145-P217 HydrophobicContact CE1-CG 4.06Å; Y145-P217 HydrophobicContact CG-CG 3.76Å
146	R	87.2	Confident	84.5	Confident	27 Å²	27	34.7 Å²	34.7	10%	0.102	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	141.4	174.4	-172.5	176.8	-171.9	163	5.1	110.9	I29 Q32 Y56 E148 S149 E211	I29-R146 PolarHBondContact O-NH1 3.12Å; I29-R146 PolarHBondContact O-NH2 2.93Å; Q32-R146 VanDerWaalsContact CB-NH1 3.32Å; Y56-R146 HydrophobicContact CD2-CB 4.05Å; Y56-R146 HydrophobicContact CE2-CB 3.65Å; Y56-R146 HydrophobicContact CE2-CG 4.38Å; R146-E148 PolarHBondContact O-N 3.4Å; R146-S149 PolarHBondContact N-O 3.21Å; R146-S149 PolarHBondContact O-N 3.08Å; R146-S149 VanDerWaalsContact O-N 3.12Å; R146-E211 IonicContact CZ-OE1 2.68Å; R146-E211 IonicContact NE-OE1 2.69Å; R146-E211 IonicContact NH2-OE1 3.73Å; R146-E211 PolarHBondContact NH2-OE1 3.32Å
147	G	87.3	Confident	86.8	Confident	27 Å²	27	27.1 Å²	27.1	28%	0.278	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	65	-110.2	-178.8	0	0	0	0	0	109.2	Y145 E212 K215	Y145-G147 WeakPolarHBondContact CE1-O 3.35Å; Y145-G147 PolarHBondContact OH-O 3.05Å; G147-E212 PolarHBondContact N-OE1 3.43Å; G147-K215 PolarHBondContact O-NZ 3.41Å
148	E	88.3	Confident	88.4	Confident	81 Å²	81	23.6 Å²	23.6	38%	0.379	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	3.4	177.5	-60.9	-58.2	135.8	0	0	113.7	Y145 R146 R186	Y145-E148 WeakPolarHBondContact OH-CA 3.17Å; R146-E148 PolarHBondContact O-N 3.4Å; E148-R186 IonicContact OE1-CZ 3.64Å; E148-R186 VanDerWaalsContact OE1-CZ 3.31Å; E148-R186 IonicContact OE1-NE 3.47Å; E148-R186 PolarHBondContact OE1-NE 3.14Å; E148-R186 IonicContact OE1-NH2 3.4Å; E148-R186 PolarHBondContact OE1-NH2 3.41Å; E148-R186 IonicContact OE2-CZ 2.89Å; E148-R186 IonicContact OE2-NE 2.94Å; E148-R186 PolarHBondContact OE2-NE 3.27Å
149	S	90.2	Very high	89.5	Confident	5 Å²	5	21.9 Å²	21.9	4%	0.035	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	150.3	-177.5	69.1	0	0	0	0	113.1	D53 Y56 R146	D53-S149 WeakPolarHBondContact O-CB 3.31Å; Y56-S149 PolarHBondContact N-OG 3.12Å; R146-S149 PolarHBondContact N-O 3.21Å; R146-S149 PolarHBondContact O-N 3.08Å; R146-S149 VanDerWaalsContact O-N 3.12Å
150	G	92.2	Very high	90.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	175.4	178	0	0	0	0	0	112.9	Y56 V144 L184	Y56-G150 CarbonylContact O-C 3.43Å; Y56-G150 WeakPolarHBondContact O-CA 3.41Å; Y56-G150 PolarHBondContact O-N 2.65Å; Y56-G150 VanDerWaalsContact O-N 3.15Å; Y56-G150 VanDerWaalsContact O-O 3.11Å; V144-G150 CarbonylContact O-C 3.55Å; V144-G150 WeakPolarHBondContact O-CA 3.45Å; G150-L184 PolarHBondContact N-O 3.13Å; G150-L184 PolarHBondContact O-N 2.92Å
151	F	94.2	Very high	90.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	150	166.5	71.1	-91.7	0	0	0	110.4	T109 W112 V142 V144 M153 L182	T109-F151 HydrophobicContact CG2-CD1 4.13Å; T109-F151 HydrophobicContact CG2-CD2 3.79Å; T109-F151 HydrophobicContact CG2-CE1 4.14Å; T109-F151 HydrophobicContact CG2-CE2 3.82Å; T109-F151 HydrophobicContact CG2-CG 3.96Å; T109-F151 HydrophobicContact CG2-CZ 3.99Å; W112-F151 HydrophobicContact CZ2-CZ 4.21Å; W112-F151 AromaticContact NE1-CE1 3.42Å; W112-F151 AromaticContact NE1-CZ 3.35Å; W112-F151 VanDerWaalsContact NE1-CZ 3.35Å; V142-F151 HydrophobicContact CG1-CE2 4.38Å; V144-F151 HydrophobicContact CB-CD1 4Å; V144-F151 HydrophobicContact CB-CE1 3.56Å; V144-F151 HydrophobicContact CB-CZ 3.86Å; V144-F151 HydrophobicContact CG1-CE1 4.12Å; V144-F151 HydrophobicContact CG2-CE1 3.64Å; V144-F151 HydrophobicContact CG2-CE2 4.19Å; V144-F151 HydrophobicContact CG2-CZ 3.45Å; V144-F151 VanDerWaalsContact CG2-CZ 3.45Å; V144-F151 PolarHBondContact N-O 2.95Å; V144-F151 PolarHBondContact O-N 2.96Å; F151-M153 HydrophobicContact CD2-CB 4.19Å; F151-M153 HydrophobicContact CE2-CB 4.32Å; F151-M153 HydrophobicContact CE2-CE 4.44Å; F151-L182 CarbonylContact C-O 3.47Å; F151-L182 WeakPolarHBondContact CA-O 3.42Å
152	F	94.9	Very high	89.8	Confident	15 Å²	15	18 Å²	18	7%	0.066	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.5	165.7	175.6	-117.8	0	0	0	108.1	V142 F143 T154 C181 L182 L184 I192 L196 F250	V142-F152 WeakPolarHBondContact O-CA 3.33Å; V142-F152 WeakPolarHBondContact O-CD2 3.3Å; F143-F152 HydrophobicContact CB-CD2 4.19Å; F143-F152 HydrophobicContact CD2-CB 4.28Å; F143-F152 HydrophobicContact CD2-CD2 4.06Å; F152-T154 HydrophobicContact CE1-CG2 4.26Å; F152-C181 CarbonylContact O-C 3.42Å; F152-C181 WeakPolarHBondContact O-CA 3.24Å; F152-L182 PolarHBondContact N-O 3.28Å; F152-L182 PolarHBondContact O-N 3.03Å; F152-L184 HydrophobicContact CB-CD1 3.99Å; F152-L184 HydrophobicContact CB-CD2 3.93Å; F152-L184 HydrophobicContact CB-CG 4.31Å; F152-I192 HydrophobicContact CB-CD1 4.06Å; F152-I192 HydrophobicContact CD1-CD1 4.01Å; F152-I192 HydrophobicContact CD1-CG2 4.27Å; F152-I192 HydrophobicContact CD2-CG2 4.28Å; F152-I192 HydrophobicContact CG-CD1 4.23Å; F152-I192 HydrophobicContact CG-CG2 4.14Å; F152-L196 HydrophobicContact CE2-CD1 4.1Å; F152-F250 HydrophobicContact CD1-CE1 4.43Å; F152-F250 AromaticContact CE1-CE1 3.96Å; F152-F250 HydrophobicContact CE1-CE1 3.96Å; F152-F250 HydrophobicContact CE1-CZ 4.5Å
153	M	94.3	Very high	89	Confident	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	115.6	175	-179.5	147.6	47.1	0	0	109.8	V106 T109 F110 G141 V142 F151 F179 I180 C181	V106-M153 HydrophobicContact CG1-CE 4.37Å; T109-M153 HydrophobicContact CG2-CE 3.83Å; F110-M153 HydrophobicContact CD2-CE 3.82Å; F110-M153 HydrophobicContact CE2-CE 3.15Å; F110-M153 HydrophobicContact CZ-CE 3.7Å; G141-M153 CarbonylContact C-O 3.6Å; G141-M153 WeakPolarHBondContact CA-O 3.45Å; V142-M153 PolarHBondContact N-O 2.92Å; V142-M153 PolarHBondContact O-N 3.36Å; F151-M153 HydrophobicContact CD2-CB 4.19Å; F151-M153 HydrophobicContact CE2-CB 4.32Å; F151-M153 HydrophobicContact CE2-CE 4.44Å; M153-F179 HydrophobicContact CG-CD1 4.26Å; M153-F179 HydrophobicContact SD-CB 4.28Å; M153-F179 HydrophobicContact SD-CD1 3.97Å; M153-I180 CarbonylContact C-O 3.57Å; M153-I180 WeakPolarHBondContact CA-O 3.46Å; M153-C181 HydrophobicContact CB-CB 4.28Å; M153-C181 HydrophobicContact CG-CB 4.24Å; M153-C181 HydrophobicContact SD-CB 3.91Å
154	T	93.4	Very high	88	Confident	12 Å²	12	21.3 Å²	21.3	7%	0.074	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	142.4	171.4	-173.8	0	0	0	0	110.2	Q139 Q140 F152 F179 I180 L331	Q139-T154 WeakPolarHBondContact CG-OG1 3.46Å; Q139-T154 PolarHBondContact NE2-OG1 2.89Å; Q140-T154 CarbonylContact O-C 3.06Å; Q140-T154 VanDerWaalsContact O-CA 3.28Å; Q140-T154 WeakPolarHBondContact O-CA 3.37Å; Q140-T154 PolarHBondContact O-OG1 2.85Å; F152-T154 HydrophobicContact CE1-CG2 4.26Å; T154-F179 CarbonylContact O-C 3.57Å; T154-F179 WeakPolarHBondContact O-CA 3.47Å; T154-I180 HydrophobicContact CG2-CB 3.93Å; T154-I180 PolarHBondContact N-O 3.22Å; T154-I180 PolarHBondContact O-N 2.79Å; T154-L331 HydrophobicContact CG2-CD2 4.38Å
155	H	93.4	Very high	87.3	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	171.1	-176.1	61.1	79.5	0	0	0	113.1	Q139 Q140 V157 F160 L178 F179	Q139-H155 WeakPolarHBondContact CA-O 3.45Å; Q140-H155 VanDerWaalsContact CB-CE1 3.46Å; Q140-H155 WeakPolarHBondContact CB-CE1 3.49Å; Q140-H155 PolarHBondContact N-O 2.7Å; Q140-H155 PolarHBondContact O-N 3.17Å; H155-V157 PolarHBondContact CE1-O 2.78Å; H155-V157 VanDerWaalsContact CE1-O 3.24Å; H155-V157 PolarHBondContact ND1-N 3.07Å; H155-V157 PolarHBondContact ND1-O 3.11Å; H155-V157 VanDerWaalsContact ND1-O 3.16Å; H155-F160 AromaticContact CE1-CD1 3.81Å; H155-F160 PolarHBondContact CE1-O 3.07Å; H155-F160 AromaticContact NE2-CD1 3.76Å; H155-F160 PolarHBondContact NE2-O 3.34Å; H155-L178 CarbonylContact C-O 3.56Å; H155-L178 WeakPolarHBondContact CA-O 3.47Å; H155-L178 WeakPolarHBondContact CB-O 3.4Å; H155-F179 HydrophobicContact CB-CB 4.34Å; H155-F179 HydrophobicContact CB-CD1 3.31Å; H155-F179 HydrophobicContact CB-CE1 3.6Å; H155-F179 HydrophobicContact CB-CG 3.83Å; H155-F179 HydrophobicContact CB-CZ 4.35Å; H155-F179 AromaticContact CG-CD1 3.99Å; H155-F179 AromaticContact CG-CE1 3.91Å
156	T	92.4	Very high	87	Confident	11 Å²	11	24.7 Å²	24.7	7%	0.067	13%	0.133	C	C	.	.			trans	-107.9	7	177.7	65.5	0	0	0	0	115.5	Q138 P158 H177 L178 F320 L331	Q138-T156 WeakPolarHBondContact O-CA 3.43Å; Q138-T156 WeakPolarHBondContact O-CB 3.41Å; Q138-T156 WeakPolarHBondContact O-CG2 3.44Å; T156-P158 VanDerWaalsContact O-CD 3.3Å; T156-P158 WeakPolarHBondContact O-CD 3.47Å; T156-H177 PolarHBondContact O-CE1 2.82Å; T156-H177 PolarHBondContact O-ND1 2.9Å; T156-H177 VanDerWaalsContact OG1-CA 3.3Å; T156-H177 WeakPolarHBondContact OG1-CA 3.22Å; T156-H177 PolarHBondContact OG1-ND1 2.03Å; T156-L178 PolarHBondContact N-O 2.66Å; T156-L178 VanDerWaalsContact N-O 3.11Å; T156-L178 PolarHBondContact OG1-N 2.74Å; T156-L178 VanDerWaalsContact OG1-N 3.15Å; T156-F320 HydrophobicContact CG2-CB 3.72Å; T156-L331 HydrophobicContact CG2-CD1 3.81Å; T156-L331 HydrophobicContact CG2-CD2 4.36Å
157	V	91	Very high	86.9	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.145	C	C	.	.			trans	-74.5	119.5	175.2	-169.7	0	0	0	0	110.4	Q140 H155 F160 W168 M172 H177 F179	Q140-V157 PolarHBondContact OE1-O 3.16Å; H155-V157 PolarHBondContact CE1-O 2.78Å; H155-V157 VanDerWaalsContact CE1-O 3.24Å; H155-V157 PolarHBondContact ND1-N 3.07Å; H155-V157 PolarHBondContact ND1-O 3.11Å; H155-V157 VanDerWaalsContact ND1-O 3.16Å; V157-F160 HydrophobicContact CB-CB 3.65Å; V157-F160 HydrophobicContact CB-CG 4.1Å; V157-F160 HydrophobicContact CG1-CB 3.52Å; V157-F160 HydrophobicContact CG1-CD2 4.24Å; V157-F160 HydrophobicContact CG1-CG 3.99Å; V157-W168 HydrophobicContact CG2-CH2 3.92Å; V157-W168 HydrophobicContact CG2-CZ3 4.08Å; V157-M172 HydrophobicContact CG1-CB 3.97Å; V157-M172 HydrophobicContact CG1-CE 4.2Å; V157-M172 HydrophobicContact CG1-CG 3.54Å; V157-M172 HydrophobicContact CG1-SD 3.89Å; V157-H177 HydrophobicContact CG2-CB 3.74Å; V157-F179 HydrophobicContact CB-CZ 4.48Å; V157-F179 HydrophobicContact CG2-CE1 4.04Å; V157-F179 HydrophobicContact CG2-CE2 3.86Å; V157-F179 HydrophobicContact CG2-CZ 3.31Å
158	P	85.2	Confident	87	Confident	47 Å²	47	27 Å²	27	31%	0.305	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	130.7	-178.7	-19.3	32.9	0	0	0	113	T156 F160 M172	T156-P158 VanDerWaalsContact O-CD 3.3Å; T156-P158 WeakPolarHBondContact O-CD 3.47Å; P158-F160 PolarHBondContact O-N 3.4Å; P158-M172 WeakPolarHBondContact O-CE 3.3Å
159	G	82.3	Confident	87.1	Confident	9 Å²	9	25.7 Å²	25.7	9%	0.093	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	16.6	175.9	0	0	0	0	0	113.5	Q132 P161	Q132-G159 PolarHBondContact NE2-O 3.46Å; G159-P161 CarbonylContact O-C 3.55Å
160	F	85.8	Confident	87.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-100.7	147.6	-176.8	-176.3	-88.2	0	0	0	111.3	V106 F110 H155 V157 P158 Y166 W168 M172 F179 Y204	V106-F160 HydrophobicContact CG1-CE1 3.77Å; V106-F160 HydrophobicContact CG1-CZ 3.63Å; F110-F160 AromaticContact CE2-CE1 3.8Å; F110-F160 HydrophobicContact CE2-CE1 3.8Å; F110-F160 HydrophobicContact CE2-CZ 4.33Å; F110-F160 HydrophobicContact CZ-CE1 4.3Å; H155-F160 AromaticContact CE1-CD1 3.81Å; H155-F160 PolarHBondContact CE1-O 3.07Å; H155-F160 AromaticContact NE2-CD1 3.76Å; H155-F160 PolarHBondContact NE2-O 3.34Å; V157-F160 HydrophobicContact CB-CB 3.65Å; V157-F160 HydrophobicContact CB-CG 4.1Å; V157-F160 HydrophobicContact CG1-CB 3.52Å; V157-F160 HydrophobicContact CG1-CD2 4.24Å; V157-F160 HydrophobicContact CG1-CG 3.99Å; P158-F160 PolarHBondContact O-N 3.4Å; F160-Y166 HydrophobicContact CE2-CE2 4.15Å; F160-Y166 HydrophobicContact CZ-CD2 4.29Å; F160-Y166 AromaticContact CZ-CE2 3.65Å; F160-Y166 HydrophobicContact CZ-CE2 3.65Å; F160-W168 AromaticContact CE2-NE1 3.99Å; F160-M172 HydrophobicContact CB-CE 4.43Å; F160-F179 HydrophobicContact CD1-CE1 4.19Å; F160-F179 AromaticContact CE1-CE1 3.94Å; F160-F179 HydrophobicContact CE1-CE1 3.94Å; F160-Y204 PolarHBondContact O-OH 3.05Å
161	P	83.9	Confident	86.9	Confident	7 Å²	7	40 Å²	40	5%	0.045	20%	0.199	C	C	.	.	S	Bend	cis	-64.8	152.1	-17.6	30.7	-36.8	0	0	0	111.4	F110 Y113 V142 G159 I163 Y204	F110-P161 HydrophobicContact CE1-CG 3.9Å; F110-P161 HydrophobicContact CZ-CG 4.13Å; Y113-P161 HydrophobicContact CE2-CB 4.48Å; Y113-P161 HydrophobicContact CE2-CG 4.39Å; V142-P161 HydrophobicContact CG2-CG 3.99Å; G159-P161 CarbonylContact O-C 3.55Å; P161-I163 PolarHBondContact O-N 3.45Å; P161-Y204 WeakPolarHBondContact CD-OH 3Å; P161-Y204 PolarHBondContact O-OH 3.05Å
162	D	81	Confident	86.8	Confident	38 Å²	38	40.9 Å²	40.9	20%	0.203	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-68.8	126.8	166.6	170.8	-65.7	0	0	0	108.8	Y113 D164 K165	Y113-D162 VanDerWaalsContact CZ-O 3.26Å; Y113-D162 PolarHBondContact OH-O 2.68Å; D162-D164 PolarHBondContact O-N 2.9Å; D162-D164 VanDerWaalsContact O-N 3.12Å; D162-D164 WeakPolarHBondContact OD1-CA 3.28Å; D162-D164 WeakPolarHBondContact OD1-CB 3.03Å; D162-D164 PolarHBondContact OD1-N 3.46Å; D162-K165 WeakPolarHBondContact CB-O 3.45Å; D162-K165 CarbonylContact O-C 3.58Å; D162-K165 PolarHBondContact O-N 3.34Å; D162-K165 VanDerWaalsContact O-O 3.05Å; D162-K165 PolarHBondContact OD1-N 3.27Å
163	I	74.2	Confident	86.7	Confident	31 Å²	31	41.1 Å²	41.1	16%	0.159	21%	0.205	C	C	.	.	S	Bend	trans	-58.7	-22.9	-171.4	-59.6	167	0	0	0	113.7	I24 Y113 Q132 P161 Y204 A205	I24-I163 HydrophobicContact CD1-CG2 3.13Å; Y113-I163 WeakPolarHBondContact OH-CA 3.33Å; Y113-I163 PolarHBondContact OH-N 3.43Å; Y113-I163 PolarHBondContact OH-O 2.66Å; Q132-I163 HydrophobicContact CG-CD1 4.43Å; P161-I163 PolarHBondContact O-N 3.45Å; I163-Y204 HydrophobicContact CD1-CD2 3.59Å; I163-Y204 HydrophobicContact CD1-CE2 4.02Å; I163-Y204 HydrophobicContact CG1-CD2 3.81Å; I163-Y204 HydrophobicContact CG1-CE2 3.68Å; I163-A205 HydrophobicContact CD1-CB 4.01Å; I163-A205 HydrophobicContact CG1-CB 4.14Å
164	D	73.5	Confident	86.5	Confident	94 Å²	94	43.3 Å²	43.3	50%	0.503	22%	0.22	S	C	.	.	S	Bend	trans	-101.9	-30.6	-176	-71.3	-39.3	0	0	0	112.9	K120 D162	K120-D164 IonicContact NZ-OD1 3.51Å; K120-D164 PolarHBondContact NZ-OD1 3.14Å; D162-D164 PolarHBondContact O-N 2.9Å; D162-D164 VanDerWaalsContact O-N 3.12Å; D162-D164 WeakPolarHBondContact OD1-CA 3.28Å; D162-D164 WeakPolarHBondContact OD1-CB 3.03Å; D162-D164 PolarHBondContact OD1-N 3.46Å
165	K	78.1	Confident	86.5	Confident	92 Å²	92	43.8 Å²	43.8	40%	0.4	22%	0.224	S	C	.	.			trans	-151	143.9	-179.3	57	175.4	175.1	166.6	0	113.3	D162 E167	D162-K165 WeakPolarHBondContact CB-O 3.45Å; D162-K165 CarbonylContact O-C 3.58Å; D162-K165 PolarHBondContact O-N 3.34Å; D162-K165 VanDerWaalsContact O-O 3.05Å; D162-K165 PolarHBondContact OD1-N 3.27Å; K165-E167 HydrophobicContact CD-CB 4.15Å; K165-E167 VanDerWaalsContact CE-CD 3.44Å; K165-E167 WeakPolarHBondContact CE-OE2 3.49Å; K165-E167 HydrophobicContact CG-CB 4.12Å; K165-E167 IonicContact NZ-OE1 3.63Å; K165-E167 PolarHBondContact NZ-OE1 3.05Å; K165-E167 IonicContact NZ-OE2 2.66Å; K165-E167 PolarHBondContact NZ-OE2 3.18Å; K165-E167 PolarHBondContact O-N 3.47Å; K165-E167 VanDerWaalsContact O-N 3.07Å
166	Y	83.2	Confident	86.4	Confident	23 Å²	23	43.8 Å²	43.8	9%	0.09	22%	0.224	C	C	.	.			trans	-71.4	102.3	166.1	-173.3	-88.7	0	0	0	109.6	D104 V106 R107 F110 F160 W168	D104-Y166 VanDerWaalsContact CG-OH 3.32Å; D104-Y166 PolarHBondContact OD1-OH 3.39Å; D104-Y166 WeakPolarHBondContact OD2-CE1 3.5Å; D104-Y166 PolarHBondContact OD2-OH 2.87Å; V106-Y166 WeakPolarHBondContact CB-OH 3.41Å; V106-Y166 HydrophobicContact CG1-CE2 4.06Å; V106-Y166 WeakPolarHBondContact CG1-OH 3.4Å; R107-Y166 HydrophobicContact CB-CD1 4.38Å; R107-Y166 HydrophobicContact CB-CE1 3.77Å; R107-Y166 HydrophobicContact CB-CE2 4.13Å; R107-Y166 HydrophobicContact CG-CD1 4.11Å; R107-Y166 HydrophobicContact CG-CE1 4.01Å; R107-Y166 HydrophobicContact CG-CE2 4.47Å; R107-Y166 HydrophobicContact CG-CG 4.39Å; R107-Y166 PolarHBondContact N-OH 3.29Å; R107-Y166 VanDerWaalsContact N-OH 3.15Å; F110-Y166 HydrophobicContact CB-CD2 4.37Å; F110-Y166 HydrophobicContact CB-CE2 4.45Å; F110-Y166 HydrophobicContact CD2-CE2 4.17Å; F160-Y166 HydrophobicContact CE2-CE2 4.15Å; F160-Y166 HydrophobicContact CZ-CD2 4.29Å; F160-Y166 AromaticContact CZ-CE2 3.65Å; F160-Y166 HydrophobicContact CZ-CE2 3.65Å; Y166-W168 AromaticContact CE1-CD1 3.99Å; Y166-W168 AromaticContact CE1-NE1 3.91Å; Y166-W168 AromaticContact CZ-NE1 3.7Å; Y166-W168 PolarHBondContact OH-NE1 3.06Å
167	E	85.3	Confident	86.4	Confident	76 Å²	76	43.6 Å²	43.6	36%	0.355	22%	0.222	S	C	.	.			trans	-139.7	148.3	-178	-175.4	175.8	-118.2	0	0	112.3	K165	K165-E167 HydrophobicContact CD-CB 4.15Å; K165-E167 VanDerWaalsContact CE-CD 3.44Å; K165-E167 WeakPolarHBondContact CE-OE2 3.49Å; K165-E167 HydrophobicContact CG-CB 4.12Å; K165-E167 IonicContact NZ-OE1 3.63Å; K165-E167 PolarHBondContact NZ-OE1 3.05Å; K165-E167 IonicContact NZ-OE2 2.66Å; K165-E167 PolarHBondContact NZ-OE2 3.18Å; K165-E167 PolarHBondContact O-N 3.47Å; K165-E167 VanDerWaalsContact O-N 3.07Å
168	W	89.7	Confident	86.6	Confident	27 Å²	27	43.9 Å²	43.9	10%	0.102	22%	0.224	C	C	.	.			trans	-114.7	107.4	170.1	-77.5	81.2	0	0	0	109.9	K73 I97 V157 F160 Y166 M172 L173 F179	K73-W168 HydrophobicContact CD-CE3 4.35Å; K73-W168 HydrophobicContact CD-CH2 3.99Å; K73-W168 HydrophobicContact CD-CZ3 3.49Å; K73-W168 VanDerWaalsContact CD-CZ3 3.49Å; K73-W168 HydrophobicContact CG-CH2 4.02Å; K73-W168 HydrophobicContact CG-CZ3 4.03Å; I97-W168 HydrophobicContact CD1-CH2 4.33Å; I97-W168 HydrophobicContact CD1-CZ2 4.44Å; I97-W168 HydrophobicContact CG2-CB 4.17Å; I97-W168 HydrophobicContact CG2-CD2 3.39Å; I97-W168 HydrophobicContact CG2-CE3 4.16Å; I97-W168 HydrophobicContact CG2-CG 3.37Å; I97-W168 HydrophobicContact CG2-CZ2 3.96Å; I97-W168 VanDerWaalsContact CG2-NE1 3.29Å; V157-W168 HydrophobicContact CG2-CH2 3.92Å; V157-W168 HydrophobicContact CG2-CZ3 4.08Å; F160-W168 AromaticContact CE2-NE1 3.99Å; Y166-W168 AromaticContact CE1-CD1 3.99Å; Y166-W168 AromaticContact CE1-NE1 3.91Å; Y166-W168 AromaticContact CZ-NE1 3.7Å; Y166-W168 PolarHBondContact OH-NE1 3.06Å; W168-M172 HydrophobicContact CE3-CB 3.95Å; W168-M172 HydrophobicContact CZ3-CB 4.4Å; W168-L173 HydrophobicContact CB-CD2 4.3Å; W168-L173 HydrophobicContact CB-CG 4.38Å; W168-L173 HydrophobicContact CE3-CD2 4.03Å; W168-F179 AromaticContact CH2-CE2 3.7Å; W168-F179 HydrophobicContact CH2-CE2 3.7Å; W168-F179 AromaticContact CH2-CZ 3.47Å; W168-F179 HydrophobicContact CH2-CZ 3.47Å; W168-F179 VanDerWaalsContact CH2-CZ 3.47Å; W168-F179 HydrophobicContact CZ2-CE2 4.16Å; W168-F179 AromaticContact CZ2-CZ 3.66Å; W168-F179 HydrophobicContact CZ2-CZ 3.66Å
169	T	90.8	Very high	87	Confident	52 Å²	52	41.7 Å²	41.7	32%	0.319	21%	0.209	S	C	.	.			trans	-76.5	161.3	179.3	66.4	0	0	0	0	111.8	K171 M172 L173	T169-K171 PolarHBondContact O-N 3.32Å; T169-M172 HydrophobicContact CG2-CE 4.41Å; T169-M172 HydrophobicContact CG2-SD 4.16Å; T169-M172 PolarHBondContact N-SD 3.26Å; T169-M172 WeakPolarHBondContact O-CB 3.45Å; T169-M172 PolarHBondContact O-N 3.22Å; T169-M172 VanDerWaalsContact O-N 3.09Å; T169-M172 VanDerWaalsContact OG1-CG 3.25Å; T169-M172 WeakPolarHBondContact OG1-CG 3.42Å; T169-M172 PolarHBondContact OG1-N 3.04Å; T169-M172 PolarHBondContact OG1-SD 3.16Å; T169-L173 WeakPolarHBondContact O-CG 3.18Å; T169-L173 PolarHBondContact O-N 3.24Å
170	E	90.2	Very high	87.6	Confident	175 Å²	175	42.4 Å²	42.4	82%	0.818	21%	0.211	S	C	*	.	H	α-helix	trans	-56.8	-37.6	174.5	-66.7	-174.5	165.5	0	0	112.3	M172 L173 S174	E170-M172 PolarHBondContact O-N 3.29Å; E170-L173 CarbonylContact O-C 3.57Å; E170-L173 PolarHBondContact O-N 3.09Å; E170-L173 VanDerWaalsContact O-N 3.11Å; E170-S174 WeakPolarHBondContact O-CB 3.5Å; E170-S174 PolarHBondContact O-N 2.88Å
171	K	89.1	Confident	88	Confident	132 Å²	132	42.4 Å²	42.4	57%	0.574	21%	0.211	S	C	*	.	H	α-helix	trans	-59.7	-46.1	174.9	-173.4	178.6	178.7	-177	0	111.5	T169 L173 S174	T169-K171 PolarHBondContact O-N 3.32Å; K171-L173 VanDerWaalsContact C-N 3.27Å; K171-L173 PolarHBondContact O-N 2.98Å; K171-S174 PolarHBondContact O-N 3.21Å; K171-S174 PolarHBondContact O-OG 3.26Å
172	M	91.3	Very high	88.6	Confident	18 Å²	18	42.2 Å²	42.2	9%	0.089	21%	0.21	C	C	.	.	H	α-helix	trans	-66.2	-31	175.7	-62.3	163.3	174.8	0	0	111.9	K73 V157 P158 F160 W168 T169 E170 H177	K73-M172 PolarHBondContact NZ-O 2.79Å; V157-M172 HydrophobicContact CG1-CB 3.97Å; V157-M172 HydrophobicContact CG1-CE 4.2Å; V157-M172 HydrophobicContact CG1-CG 3.54Å; V157-M172 HydrophobicContact CG1-SD 3.89Å; P158-M172 WeakPolarHBondContact O-CE 3.3Å; F160-M172 HydrophobicContact CB-CE 4.43Å; W168-M172 HydrophobicContact CE3-CB 3.95Å; W168-M172 HydrophobicContact CZ3-CB 4.4Å; T169-M172 HydrophobicContact CG2-CE 4.41Å; T169-M172 HydrophobicContact CG2-SD 4.16Å; T169-M172 PolarHBondContact N-SD 3.26Å; T169-M172 WeakPolarHBondContact O-CB 3.45Å; T169-M172 PolarHBondContact O-N 3.22Å; T169-M172 VanDerWaalsContact O-N 3.09Å; T169-M172 VanDerWaalsContact OG1-CG 3.25Å; T169-M172 WeakPolarHBondContact OG1-CG 3.42Å; T169-M172 PolarHBondContact OG1-N 3.04Å; T169-M172 PolarHBondContact OG1-SD 3.16Å; E170-M172 PolarHBondContact O-N 3.29Å; M172-H177 PolarHBondContact O-CD2 2.98Å; M172-H177 PolarHBondContact O-NE2 2.88Å; M172-H177 VanDerWaalsContact O-NE2 3.14Å
173	L	91.8	Very high	89.2	Confident	19 Å²	19	40.7 Å²	40.7	10%	0.099	20%	0.202	C	C	.	.	H	α-helix	trans	-77.7	-27.2	178	-67.8	173.4	0	0	0	113	K73 D76 K78 W168 T169 E170 K171 S175	K73-L173 PolarHBondContact NZ-O 3.45Å; D76-L173 WeakPolarHBondContact CA-O 2.9Å; D76-L173 PolarHBondContact N-O 2.81Å; K78-L173 HydrophobicContact CD-CD1 4.22Å; K78-L173 VanDerWaalsContact CE-CD1 3.41Å; K78-L173 HydrophobicContact CG-CD1 3.92Å; K78-L173 HydrophobicContact CG-CD2 3.91Å; K78-L173 HydrophobicContact CG-CG 4.5Å; W168-L173 HydrophobicContact CB-CD2 4.3Å; W168-L173 HydrophobicContact CB-CG 4.38Å; W168-L173 HydrophobicContact CE3-CD2 4.03Å; T169-L173 WeakPolarHBondContact O-CG 3.18Å; T169-L173 PolarHBondContact O-N 3.24Å; E170-L173 CarbonylContact O-C 3.57Å; E170-L173 PolarHBondContact O-N 3.09Å; E170-L173 VanDerWaalsContact O-N 3.11Å; K171-L173 VanDerWaalsContact C-N 3.27Å; K171-L173 PolarHBondContact O-N 2.98Å; L173-S175 VanDerWaalsContact C-N 3.31Å; L173-S175 PolarHBondContact O-N 3.28Å
174	S	92.1	Very high	90.2	Very high	47 Å²	47	39.4 Å²	39.4	33%	0.329	20%	0.195	S	C	.	.	S	Bend	trans	-75.6	-12.3	179.9	70.6	0	0	0	0	115.4	K75 D76 E170 K171	K75-S174 WeakPolarHBondContact CE-O 3.39Å; K75-S174 WeakPolarHBondContact CG-O 3.48Å; D76-S174 WeakPolarHBondContact OD1-CA 3.41Å; E170-S174 WeakPolarHBondContact O-CB 3.5Å; E170-S174 PolarHBondContact O-N 2.88Å; K171-S174 PolarHBondContact O-N 3.21Å; K171-S174 PolarHBondContact O-OG 3.26Å
175	S	91.9	Very high	91	Very high	21 Å²	21	39.1 Å²	39.1	15%	0.147	19%	0.193	C	C	.	.	S	Bend	trans	-117.1	150.1	-177.2	-62.3	0	0	0	0	111.7	K73 L173 H177 N318	K73-S175 WeakPolarHBondContact CE-O 3.32Å; K73-S175 PolarHBondContact NZ-O 3.33Å; L173-S175 VanDerWaalsContact C-N 3.31Å; L173-S175 PolarHBondContact O-N 3.28Å; S175-H177 PolarHBondContact O-CD2 2.91Å; S175-N318 WeakPolarHBondContact CB-O 3.39Å
176	A	92.3	Very high	91.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	19%	0.19	C	C	.	.			trans	-75.4	140.6	172.2	0	0	0	0	0	110.9	F72 K73 K75 N318 D319 F320	F72-A176 HydrophobicContact CE2-CB 4.22Å; K73-A176 CarbonylContact O-C 3.58Å; K73-A176 VanDerWaalsContact O-CA 3.29Å; K73-A176 WeakPolarHBondContact O-CA 3.4Å; K75-A176 HydrophobicContact CB-CB 4.24Å; A176-N318 PolarHBondContact N-O 3.02Å; A176-D319 WeakPolarHBondContact CB-OD1 3.26Å; A176-F320 HydrophobicContact CB-CD1 4.28Å; A176-F320 HydrophobicContact CB-CE1 4.25Å
177	H	92.8	Very high	92.1	Very high	7 Å²	7	45 Å²	45	3%	0.032	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.1	-179.4	-62.7	-62	0	0	0	113	F72 K73 T156 V157 M172 S175 F179	F72-H177 WeakPolarHBondContact CD2-O 3.18Å; K73-H177 HydrophobicContact CB-CB 4.1Å; K73-H177 PolarHBondContact N-O 2.9Å; K73-H177 PolarHBondContact O-N 2.86Å; T156-H177 PolarHBondContact O-CE1 2.82Å; T156-H177 PolarHBondContact O-ND1 2.9Å; T156-H177 VanDerWaalsContact OG1-CA 3.3Å; T156-H177 WeakPolarHBondContact OG1-CA 3.22Å; T156-H177 PolarHBondContact OG1-ND1 2.03Å; V157-H177 HydrophobicContact CG2-CB 3.74Å; M172-H177 PolarHBondContact O-CD2 2.98Å; M172-H177 PolarHBondContact O-NE2 2.88Å; M172-H177 VanDerWaalsContact O-NE2 3.14Å; S175-H177 PolarHBondContact O-CD2 2.91Å; H177-F179 HydrophobicContact CB-CE2 4.35Å
178	L	93.2	Very high	92.5	Very high	6 Å²	6	41.4 Å²	41.4	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	143.6	172.9	-160.1	77.6	0	0	0	109.5	I70 L71 F72 H155 T156 I180 F320 F329 L331	I70-L178 HydrophobicContact CG2-CD1 3.7Å; I70-L178 HydrophobicContact CG2-CD2 4.37Å; I70-L178 HydrophobicContact CG2-CG 4.09Å; L71-L178 CarbonylContact O-C 3.59Å; L71-L178 WeakPolarHBondContact O-CA 3.14Å; F72-L178 HydrophobicContact CB-CD1 3.9Å; F72-L178 HydrophobicContact CD2-CD1 4.4Å; H155-L178 CarbonylContact C-O 3.56Å; H155-L178 WeakPolarHBondContact CA-O 3.47Å; H155-L178 WeakPolarHBondContact CB-O 3.4Å; T156-L178 PolarHBondContact N-O 2.66Å; T156-L178 VanDerWaalsContact N-O 3.11Å; T156-L178 PolarHBondContact OG1-N 2.74Å; T156-L178 VanDerWaalsContact OG1-N 3.15Å; L178-I180 HydrophobicContact CD2-CD1 4.49Å; L178-I180 HydrophobicContact CD2-CG1 4.36Å; L178-F320 HydrophobicContact CB-CD1 4.28Å; L178-F320 HydrophobicContact CB-CD2 3.99Å; L178-F320 HydrophobicContact CB-CE1 4.33Å; L178-F320 HydrophobicContact CB-CE2 4.03Å; L178-F320 HydrophobicContact CB-CG 4.13Å; L178-F320 HydrophobicContact CB-CZ 4.21Å; L178-F320 HydrophobicContact CD1-CE2 4.2Å; L178-F320 HydrophobicContact CD1-CZ 4.07Å; L178-F320 HydrophobicContact CD2-CD2 4.45Å; L178-F320 HydrophobicContact CD2-CE2 4.16Å; L178-F320 HydrophobicContact CG-CE2 4.37Å; L178-F329 HydrophobicContact CD2-CE1 3.72Å; L178-F329 HydrophobicContact CD2-CZ 3.84Å; L178-L331 HydrophobicContact CB-CD1 4.15Å; L178-L331 HydrophobicContact CD2-CB 4.13Å; L178-L331 HydrophobicContact CD2-CD1 3.81Å; L178-L331 HydrophobicContact CD2-CD2 4.19Å; L178-L331 HydrophobicContact CD2-CG 4.26Å
179	F	94.4	Very high	92.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	140.7	167.8	-56.2	-110.3	0	0	0	108.8	I70 L71 L80 V106 M153 T154 H155 V157 F160 W168 H177	I70-F179 CarbonylContact C-O 3.59Å; I70-F179 WeakPolarHBondContact CA-O 3.41Å; L71-F179 HydrophobicContact CB-CB 4.08Å; L71-F179 HydrophobicContact CB-CD2 4.25Å; L71-F179 HydrophobicContact CB-CG 4.49Å; L71-F179 HydrophobicContact CD1-CB 4.41Å; L71-F179 PolarHBondContact N-O 3.39Å; L71-F179 PolarHBondContact O-N 2.85Å; L80-F179 HydrophobicContact CD2-CE2 4.48Å; V106-F179 HydrophobicContact CG1-CD1 4.49Å; V106-F179 HydrophobicContact CG1-CE1 4.06Å; V106-F179 HydrophobicContact CG2-CD1 4.2Å; V106-F179 HydrophobicContact CG2-CE1 4.15Å; V106-F179 HydrophobicContact CG2-CE2 4.45Å; V106-F179 HydrophobicContact CG2-CG 4.39Å; V106-F179 HydrophobicContact CG2-CZ 4.25Å; M153-F179 HydrophobicContact CG-CD1 4.26Å; M153-F179 HydrophobicContact SD-CB 4.28Å; M153-F179 HydrophobicContact SD-CD1 3.97Å; T154-F179 CarbonylContact O-C 3.57Å; T154-F179 WeakPolarHBondContact O-CA 3.47Å; H155-F179 HydrophobicContact CB-CB 4.34Å; H155-F179 HydrophobicContact CB-CD1 3.31Å; H155-F179 HydrophobicContact CB-CE1 3.6Å; H155-F179 HydrophobicContact CB-CG 3.83Å; H155-F179 HydrophobicContact CB-CZ 4.35Å; H155-F179 AromaticContact CG-CD1 3.99Å; H155-F179 AromaticContact CG-CE1 3.91Å; V157-F179 HydrophobicContact CB-CZ 4.48Å; V157-F179 HydrophobicContact CG2-CE1 4.04Å; V157-F179 HydrophobicContact CG2-CE2 3.86Å; V157-F179 HydrophobicContact CG2-CZ 3.31Å; F160-F179 HydrophobicContact CD1-CE1 4.19Å; F160-F179 AromaticContact CE1-CE1 3.94Å; F160-F179 HydrophobicContact CE1-CE1 3.94Å; W168-F179 AromaticContact CH2-CE2 3.7Å; W168-F179 HydrophobicContact CH2-CE2 3.7Å; W168-F179 AromaticContact CH2-CZ 3.47Å; W168-F179 HydrophobicContact CH2-CZ 3.47Å; W168-F179 VanDerWaalsContact CH2-CZ 3.47Å; W168-F179 HydrophobicContact CZ2-CE2 4.16Å; W168-F179 AromaticContact CZ2-CZ 3.66Å; W168-F179 HydrophobicContact CZ2-CZ 3.66Å; H177-F179 HydrophobicContact CB-CE2 4.35Å
180	I	94.3	Very high	92.9	Very high	24 Å²	24	38.4 Å²	38.4	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.6	166.5	-54.6	-179	0	0	0	106.5	M69 I70 M153 T154 L178 L182 F248 L331	M69-I180 WeakPolarHBondContact O-CA 3.5Å; I70-I180 HydrophobicContact CG1-CG1 4.28Å; M153-I180 CarbonylContact C-O 3.57Å; M153-I180 WeakPolarHBondContact CA-O 3.46Å; T154-I180 HydrophobicContact CG2-CB 3.93Å; T154-I180 PolarHBondContact N-O 3.22Å; T154-I180 PolarHBondContact O-N 2.79Å; L178-I180 HydrophobicContact CD2-CD1 4.49Å; L178-I180 HydrophobicContact CD2-CG1 4.36Å; I180-L182 HydrophobicContact CG2-CD2 4.12Å; I180-F248 HydrophobicContact CG2-CE1 4.14Å; I180-L331 HydrophobicContact CD1-CB 3.84Å; I180-L331 HydrophobicContact CD1-CD2 4.16Å; I180-L331 HydrophobicContact CG1-CD2 4.33Å
181	C	95.6	Very high	93.1	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.5	176.3	-170.3	0	0	0	0	109.7	C58 W68 M69 F152 M153	C58-C181 VanDerWaalsContact CA-SG 3.57Å; C58-C181 HydrophobicContact CB-CB 3.88Å; C58-C181 WeakPolarHBondContact CB-SG 3.31Å; C58-C181 VanDerWaalsContact SG-CA 3.58Å; C58-C181 WeakPolarHBondContact SG-CB 3.34Å; C58-C181 CovalentContact SG-SG 2.03Å; C58-C181 PolarHBondContact SG-SG 2.68Å; W68-C181 CarbonylContact C-O 3.59Å; W68-C181 WeakPolarHBondContact CA-O 3.27Å; M69-C181 HydrophobicContact CE-CB 3.71Å; M69-C181 HydrophobicContact CG-CB 3.78Å; M69-C181 PolarHBondContact N-O 3.15Å; M69-C181 PolarHBondContact O-N 2.46Å; F152-C181 CarbonylContact O-C 3.42Å; F152-C181 WeakPolarHBondContact O-CA 3.24Å; M153-C181 HydrophobicContact CB-CB 4.28Å; M153-C181 HydrophobicContact CG-CB 4.24Å; M153-C181 HydrophobicContact SD-CB 3.91Å
182	L	95.3	Very high	93.3	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.016	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127.2	174.9	-50.8	-178.9	0	0	0	110	C58 W68 F151 F152 I180 L184 M188 I192 A243 F248 F250	C58-L182 PolarHBondContact SG-N 3.41Å; W68-L182 HydrophobicContact CB-CD2 3.77Å; F151-L182 CarbonylContact C-O 3.47Å; F151-L182 WeakPolarHBondContact CA-O 3.42Å; F152-L182 PolarHBondContact N-O 3.28Å; F152-L182 PolarHBondContact O-N 3.03Å; I180-L182 HydrophobicContact CG2-CD2 4.12Å; L182-L184 HydrophobicContact CB-CD2 4.14Å; L182-M188 HydrophobicContact CB-SD 4.28Å; L182-M188 HydrophobicContact CD1-SD 4.3Å; L182-I192 HydrophobicContact CD1-CD1 4.34Å; L182-A243 HydrophobicContact CD2-CB 4.21Å; L182-F248 HydrophobicContact CD1-CD1 4.35Å; L182-F248 HydrophobicContact CD1-CG 4.34Å; L182-F248 HydrophobicContact CD2-CD1 3.76Å; L182-F248 HydrophobicContact CD2-CD2 4.04Å; L182-F248 HydrophobicContact CD2-CE1 3.45Å; L182-F248 VanDerWaalsContact CD2-CE1 3.45Å; L182-F248 HydrophobicContact CD2-CE2 3.75Å; L182-F248 HydrophobicContact CD2-CG 4.04Å; L182-F248 HydrophobicContact CD2-CZ 3.44Å; L182-F248 VanDerWaalsContact CD2-CZ 3.44Å; L182-F250 HydrophobicContact CD1-CE2 4.26Å; L182-F250 HydrophobicContact CD1-CZ 3.72Å
183	T	94.7	Very high	93.4	Very high	6 Å²	6	25.9 Å²	25.9	4%	0.037	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	131.2	166.2	-66.3	0	0	0	0	108.6	H57 C58 Q66 E67	H57-T183 WeakPolarHBondContact CA-OG1 3.32Å; H57-T183 HydrophobicContact CB-CG2 3.6Å; H57-T183 WeakPolarHBondContact CB-OG1 3.37Å; C58-T183 PolarHBondContact N-OG1 3Å; C58-T183 PolarHBondContact SG-N 3.03Å; C58-T183 VanDerWaalsContact SG-N 3.45Å; Q66-T183 WeakPolarHBondContact O-CB 3Å; Q66-T183 PolarHBondContact O-OG1 2.82Å; E67-T183 PolarHBondContact O-N 2.78Å
184	L	94	Very high	93.4	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.4	-169.6	-50.8	179.8	0	0	0	110.4	F143 Y145 G150 F152 L182 M188 A189 I192	F143-L184 HydrophobicContact CD2-CD1 4.04Å; F143-L184 HydrophobicContact CE2-CD1 3.51Å; F143-L184 HydrophobicContact CZ-CD1 3.98Å; Y145-L184 HydrophobicContact CD2-CB 4.42Å; G150-L184 PolarHBondContact N-O 3.13Å; G150-L184 PolarHBondContact O-N 2.92Å; F152-L184 HydrophobicContact CB-CD1 3.99Å; F152-L184 HydrophobicContact CB-CD2 3.93Å; F152-L184 HydrophobicContact CB-CG 4.31Å; L182-L184 HydrophobicContact CB-CD2 4.14Å; L184-M188 HydrophobicContact CD2-CB 4.46Å; L184-M188 HydrophobicContact CD2-CG 3.83Å; L184-M188 HydrophobicContact CD2-SD 3.36Å; L184-M188 WeakPolarHBondContact CD2-SD 3.42Å; L184-A189 HydrophobicContact CB-CB 4.1Å; L184-A189 HydrophobicContact CD1-CB 4.08Å; L184-I192 HydrophobicContact CD2-CD1 3.61Å
185	D	91.6	Very high	93.2	Very high	87 Å²	87	26.3 Å²	26.3	47%	0.465	13%	0.134	S	C	.	.			trans	-82.7	171.4	151.7	69.5	31.4	0	0	0	110.1	K187 M188 A189	D185-K187 VanDerWaalsContact C-N 3.27Å; D185-K187 PolarHBondContact O-N 3.43Å; D185-K187 WeakPolarHBondContact OD1-CA 3.33Å; D185-K187 WeakPolarHBondContact OD1-CB 3.47Å; D185-K187 PolarHBondContact OD1-N 3.4Å; D185-M188 PolarHBondContact O-N 2.9Å; D185-M188 PolarHBondContact OD1-N 3.37Å; D185-A189 VanDerWaalsContact O-CB 3.22Å; D185-A189 WeakPolarHBondContact O-CB 3.18Å; D185-A189 PolarHBondContact O-N 2.9Å
186	R	91.4	Very high	93	Very high	84 Å²	84	27.5 Å²	27.5	32%	0.317	14%	0.138	S	C	.	.	H	α-helix	trans	-54.7	-40	178.1	-177.6	179	-90.7	-103.5	13.3	113.9	Y145 E148 G190 E216	Y145-R186 WeakPolarHBondContact OH-CA 3.37Å; Y145-R186 WeakPolarHBondContact OH-CB 3.42Å; E148-R186 IonicContact OE1-CZ 3.64Å; E148-R186 VanDerWaalsContact OE1-CZ 3.31Å; E148-R186 IonicContact OE1-NE 3.47Å; E148-R186 PolarHBondContact OE1-NE 3.14Å; E148-R186 IonicContact OE1-NH2 3.4Å; E148-R186 PolarHBondContact OE1-NH2 3.41Å; E148-R186 IonicContact OE2-CZ 2.89Å; E148-R186 IonicContact OE2-NE 2.94Å; E148-R186 PolarHBondContact OE2-NE 3.27Å; R186-G190 PolarHBondContact O-N 3.31Å; R186-E216 PolarHBondContact NH1-O 2.87Å
187	K	92.1	Very high	92.8	Very high	154 Å²	154	27.4 Å²	27.4	67%	0.67	14%	0.138	S	C	*	.	H	α-helix	trans	-68.9	-49.3	-176	-179.5	-178.2	176.1	-178.1	0	110.2	D185 A189 G190 Q191	D185-K187 VanDerWaalsContact C-N 3.27Å; D185-K187 PolarHBondContact O-N 3.43Å; D185-K187 WeakPolarHBondContact OD1-CA 3.33Å; D185-K187 WeakPolarHBondContact OD1-CB 3.47Å; D185-K187 PolarHBondContact OD1-N 3.4Å; K187-A189 VanDerWaalsContact C-N 3.33Å; K187-G190 PolarHBondContact O-N 3.22Å; K187-Q191 WeakPolarHBondContact O-CG 3.29Å; K187-Q191 PolarHBondContact O-N 3.04Å
188	M	94.4	Very high	92.5	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-61.6	-43.8	176.4	-174	-174.9	-49.7	0	0	111	L182 L184 D185 G190 Q191 I192 T241 K242 A243	L182-M188 HydrophobicContact CB-SD 4.28Å; L182-M188 HydrophobicContact CD1-SD 4.3Å; L184-M188 HydrophobicContact CD2-CB 4.46Å; L184-M188 HydrophobicContact CD2-CG 3.83Å; L184-M188 HydrophobicContact CD2-SD 3.36Å; L184-M188 WeakPolarHBondContact CD2-SD 3.42Å; D185-M188 PolarHBondContact O-N 2.9Å; D185-M188 PolarHBondContact OD1-N 3.37Å; M188-G190 VanDerWaalsContact C-N 3.33Å; M188-G190 PolarHBondContact O-N 2.9Å; M188-Q191 PolarHBondContact O-N 3.02Å; M188-Q191 VanDerWaalsContact O-N 3.16Å; M188-I192 HydrophobicContact CG-CD1 3.76Å; M188-I192 HydrophobicContact CG-CG1 4.24Å; M188-I192 WeakPolarHBondContact O-CG1 3.39Å; M188-I192 PolarHBondContact O-N 3.47Å; M188-I192 HydrophobicContact SD-CD1 4.06Å; M188-T241 HydrophobicContact CE-CG2 4.09Å; M188-T241 HydrophobicContact CG-CG2 3.76Å; M188-T241 WeakPolarHBondContact CG-OG1 3.1Å; M188-T241 HydrophobicContact SD-CG2 3.95Å; M188-K242 WeakPolarHBondContact CE-O 3.5Å; M188-A243 HydrophobicContact CE-CB 3.97Å
189	A	94.9	Very high	92	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-56.8	-46.7	177.4	0	0	0	0	0	111.6	F143 Y145 L184 D185 K187 M193 P217	F143-A189 HydrophobicContact CE2-CB 4.5Å; F143-A189 HydrophobicContact CZ-CB 4Å; Y145-A189 HydrophobicContact CD2-CB 3.41Å; Y145-A189 VanDerWaalsContact CD2-CB 3.41Å; Y145-A189 HydrophobicContact CE2-CB 3.47Å; Y145-A189 VanDerWaalsContact CE2-CB 3.47Å; Y145-A189 HydrophobicContact CG-CB 4.1Å; L184-A189 HydrophobicContact CB-CB 4.1Å; L184-A189 HydrophobicContact CD1-CB 4.08Å; D185-A189 VanDerWaalsContact O-CB 3.22Å; D185-A189 WeakPolarHBondContact O-CB 3.18Å; D185-A189 PolarHBondContact O-N 2.9Å; K187-A189 VanDerWaalsContact C-N 3.33Å; A189-M193 VanDerWaalsContact O-CB 3.26Å; A189-M193 WeakPolarHBondContact O-CB 3.02Å; A189-M193 PolarHBondContact O-N 3.2Å; A189-P217 HydrophobicContact CB-CB 4.46Å; A189-P217 HydrophobicContact CB-CG 3.99Å
190	G	94.5	Very high	91.4	Very high	17 Å²	17	30.4 Å²	30.4	18%	0.175	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-42.4	174.6	0	0	0	0	0	113.3	R186 K187 M188 S194	R186-G190 PolarHBondContact O-N 3.31Å; K187-G190 PolarHBondContact O-N 3.22Å; M188-G190 VanDerWaalsContact C-N 3.33Å; M188-G190 PolarHBondContact O-N 2.9Å; G190-S194 VanDerWaalsContact O-CB 3.31Å; G190-S194 WeakPolarHBondContact O-CB 3.45Å; G190-S194 PolarHBondContact O-N 2.97Å
191	Q	94.1	Very high	90.8	Very high	55 Å²	55	31.7 Å²	31.7	26%	0.257	17%	0.172	S	C	.	.	H	α-helix	trans	-62.7	-49.8	177.2	-71.6	179.4	-56	0	0	112	K187 M188 H195 F239 T241	K187-Q191 WeakPolarHBondContact O-CG 3.29Å; K187-Q191 PolarHBondContact O-N 3.04Å; M188-Q191 PolarHBondContact O-N 3.02Å; M188-Q191 VanDerWaalsContact O-N 3.16Å; Q191-H195 WeakPolarHBondContact O-CB 3.15Å; Q191-H195 PolarHBondContact O-N 3.35Å; Q191-H195 PolarHBondContact O-ND1 2.92Å; Q191-F239 HydrophobicContact CB-CD2 4.07Å; Q191-F239 HydrophobicContact CB-CE2 3.85Å; Q191-T241 PolarHBondContact OE1-OG1 2.84Å
192	I	93.2	Very high	90.2	Very high	3 Å²	3	34.6 Å²	34.6	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-61.1	-48.6	178.3	-70.8	173.3	0	0	0	109.7	F143 F152 L182 L184 M188 S194 H195 L196 F239 F250	F143-I192 HydrophobicContact CD2-CG2 4.03Å; F143-I192 HydrophobicContact CE2-CB 4.33Å; F143-I192 HydrophobicContact CE2-CG2 4.01Å; F152-I192 HydrophobicContact CB-CD1 4.06Å; F152-I192 HydrophobicContact CD1-CD1 4.01Å; F152-I192 HydrophobicContact CD1-CG2 4.27Å; F152-I192 HydrophobicContact CD2-CG2 4.28Å; F152-I192 HydrophobicContact CG-CD1 4.23Å; F152-I192 HydrophobicContact CG-CG2 4.14Å; L182-I192 HydrophobicContact CD1-CD1 4.34Å; L184-I192 HydrophobicContact CD2-CD1 3.61Å; M188-I192 HydrophobicContact CG-CD1 3.76Å; M188-I192 HydrophobicContact CG-CG1 4.24Å; M188-I192 WeakPolarHBondContact O-CG1 3.39Å; M188-I192 PolarHBondContact O-N 3.47Å; M188-I192 HydrophobicContact SD-CD1 4.06Å; I192-S194 PolarHBondContact O-N 2.86Å; I192-H195 PolarHBondContact O-N 3.32Å; I192-H195 VanDerWaalsContact O-N 3.13Å; I192-L196 HydrophobicContact CG2-CD1 3.76Å; I192-L196 HydrophobicContact CG2-CG 4.08Å; I192-L196 WeakPolarHBondContact O-CG 3.29Å; I192-L196 PolarHBondContact O-N 3.41Å; I192-F239 HydrophobicContact CG1-CE2 4.26Å; I192-F239 HydrophobicContact CG1-CZ 3.87Å; I192-F250 HydrophobicContact CD1-CZ 4.1Å; I192-F250 HydrophobicContact CG1-CZ 4.16Å
193	M	93	Very high	89.7	Confident	3 Å²	3	36.5 Å²	36.5	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-63.5	-41.8	-177.4	-174	53.2	61.7	0	0	112.7	F143 A189 H195 L196 S197 P217 T220 L221	F143-M193 HydrophobicContact CB-CE 4.39Å; F143-M193 HydrophobicContact CD1-CE 3.34Å; F143-M193 HydrophobicContact CD2-CE 3.96Å; F143-M193 HydrophobicContact CE1-CE 3.39Å; F143-M193 HydrophobicContact CE2-CE 4Å; F143-M193 HydrophobicContact CG-CE 3.63Å; F143-M193 HydrophobicContact CZ-CB 4.34Å; F143-M193 HydrophobicContact CZ-CE 3.72Å; A189-M193 VanDerWaalsContact O-CB 3.26Å; A189-M193 WeakPolarHBondContact O-CB 3.02Å; A189-M193 PolarHBondContact O-N 3.2Å; M193-H195 PolarHBondContact O-N 3Å; M193-L196 PolarHBondContact O-N 3.05Å; M193-S197 VanDerWaalsContact O-CB 3.27Å; M193-S197 WeakPolarHBondContact O-CB 3.46Å; M193-S197 PolarHBondContact O-N 3.34Å; M193-P217 HydrophobicContact CB-CB 3.68Å; M193-P217 HydrophobicContact CG-CB 3.97Å; M193-T220 HydrophobicContact CG-CG2 3.78Å; M193-L221 HydrophobicContact CE-CB 3.91Å; M193-L221 HydrophobicContact CE-CD1 3.84Å; M193-L221 HydrophobicContact CE-CD2 3.97Å; M193-L221 HydrophobicContact CE-CG 4.11Å; M193-L221 HydrophobicContact CG-CB 4.15Å; M193-L221 HydrophobicContact SD-CB 3.71Å; M193-L221 HydrophobicContact SD-CD1 3.83Å; M193-L221 HydrophobicContact SD-CG 4.27Å
194	S	90.8	Very high	89	Confident	51 Å²	51	38.9 Å²	38.9	36%	0.357	21%	0.206	S	C	.	.	H	α-helix	trans	-58.2	-39.6	174.6	-176	0	0	0	0	112.2	G190 I192 Y198	G190-S194 VanDerWaalsContact O-CB 3.31Å; G190-S194 WeakPolarHBondContact O-CB 3.45Å; G190-S194 PolarHBondContact O-N 2.97Å; I192-S194 PolarHBondContact O-N 2.86Å; S194-Y198 PolarHBondContact O-N 2.79Å
195	H	89.9	Confident	88.5	Confident	25 Å²	25	39.9 Å²	39.9	12%	0.116	22%	0.215	C	C	.	.	H	α-helix	trans	-76.9	-39.8	-179.5	-82.1	89.9	0	0	0	113.3	Q191 I192 M193 S197 Y198 A199 F239 M252	Q191-H195 WeakPolarHBondContact O-CB 3.15Å; Q191-H195 PolarHBondContact O-N 3.35Å; Q191-H195 PolarHBondContact O-ND1 2.92Å; I192-H195 PolarHBondContact O-N 3.32Å; I192-H195 VanDerWaalsContact O-N 3.13Å; M193-H195 PolarHBondContact O-N 3Å; H195-S197 VanDerWaalsContact C-N 3.28Å; H195-S197 PolarHBondContact O-N 2.82Å; H195-Y198 WeakPolarHBondContact O-CB 3.39Å; H195-Y198 PolarHBondContact O-N 3.2Å; H195-A199 PolarHBondContact O-N 2.77Å; H195-F239 HydrophobicContact CB-CD1 4.06Å; H195-F239 HydrophobicContact CB-CE1 3.55Å; H195-F239 HydrophobicContact CB-CZ 4.37Å; H195-F239 AromaticContact CD2-CD1 3.32Å; H195-F239 WeakPolarHBondContact CD2-CD1 3.49Å; H195-F239 AromaticContact CD2-CE1 3.77Å; H195-F239 AromaticContact CE1-CD1 3.3Å; H195-F239 WeakPolarHBondContact CE1-CD1 3.44Å; H195-F239 AromaticContact CE1-CE1 4Å; H195-F239 AromaticContact CE1-CG 3.52Å; H195-F239 AromaticContact CG-CD1 3.27Å; H195-F239 AromaticContact CG-CE1 3.29Å; H195-F239 AromaticContact ND1-CD1 3.27Å; H195-F239 VanDerWaalsContact ND1-CD1 3.27Å; H195-F239 WeakPolarHBondContact ND1-CD1 3.5Å; H195-F239 AromaticContact ND1-CE1 3.47Å; H195-F239 WeakPolarHBondContact ND1-CE1 3.32Å; H195-F239 AromaticContact ND1-CG 3.77Å; H195-F239 AromaticContact NE2-CD1 3.35Å; H195-F239 WeakPolarHBondContact NE2-CD1 3.18Å; H195-F239 AromaticContact NE2-CG 3.86Å; H195-M252 HydrophobicContact CB-CE 3.48Å; H195-M252 VanDerWaalsContact CB-CE 3.48Å; H195-M252 HydrophobicContact CB-SD 4.03Å; H195-M252 VanDerWaalsContact O-SD 3.34Å
196	L	87.3	Confident	88.2	Confident	45 Å²	45	36.4 Å²	36.4	24%	0.236	20%	0.199	C	C	.	.	H	α-helix	trans	-59.3	-44.4	169.5	-69.8	177.2	0	0	0	110	F143 F152 I192 M193 Y198 A199 G200 P201	F143-L196 HydrophobicContact CD2-CD1 4.49Å; F152-L196 HydrophobicContact CE2-CD1 4.1Å; I192-L196 HydrophobicContact CG2-CD1 3.76Å; I192-L196 HydrophobicContact CG2-CG 4.08Å; I192-L196 WeakPolarHBondContact O-CG 3.29Å; I192-L196 PolarHBondContact O-N 3.41Å; M193-L196 PolarHBondContact O-N 3.05Å; L196-Y198 VanDerWaalsContact C-N 3.28Å; L196-Y198 PolarHBondContact O-N 3.3Å; L196-A199 CarbonylContact O-C 3.58Å; L196-A199 WeakPolarHBondContact O-CA 3.47Å; L196-A199 WeakPolarHBondContact O-CB 3.47Å; L196-A199 PolarHBondContact O-N 3Å; L196-G200 PolarHBondContact O-N 3.47Å; L196-P201 WeakPolarHBondContact O-CD 3.18Å
197	S	87.6	Confident	87.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-37.7	176.8	-165.8	0	0	0	0	113	M193 H195 G200 Q230	M193-S197 VanDerWaalsContact O-CB 3.27Å; M193-S197 WeakPolarHBondContact O-CB 3.46Å; M193-S197 PolarHBondContact O-N 3.34Å; H195-S197 VanDerWaalsContact C-N 3.28Å; H195-S197 PolarHBondContact O-N 2.82Å; S197-G200 PolarHBondContact O-N 3.31Å; S197-Q230 WeakPolarHBondContact O-CB 3.3Å; S197-Q230 PolarHBondContact OG-NE2 3.15Å; S197-Q230 PolarHBondContact OG-OE1 3.47Å
198	Y	86.4	Confident	87.7	Confident	25 Å²	25	26.4 Å²	26.4	10%	0.098	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-41.9	171.3	176.4	-89.8	0	0	0	112.4	S194 H195 L196 G200 R231 P232 G235 E236 R237 M252 V254	S194-Y198 PolarHBondContact O-N 2.79Å; H195-Y198 WeakPolarHBondContact O-CB 3.39Å; H195-Y198 PolarHBondContact O-N 3.2Å; L196-Y198 VanDerWaalsContact C-N 3.28Å; L196-Y198 PolarHBondContact O-N 3.3Å; Y198-G200 PolarHBondContact O-N 2.8Å; Y198-R231 WeakPolarHBondContact O-CA 3.46Å; Y198-P232 HydrophobicContact CD2-CG 4.1Å; Y198-P232 HydrophobicContact CE1-CG 4.4Å; Y198-P232 HydrophobicContact CE2-CG 3.42Å; Y198-P232 VanDerWaalsContact CE2-CG 3.42Å; Y198-G235 VanDerWaalsContact OH-C 3.29Å; Y198-G235 WeakPolarHBondContact OH-CA 3.2Å; Y198-E236 PolarHBondContact OH-N 2.83Å; Y198-R237 HydrophobicContact CD1-CB 4.27Å; Y198-R237 HydrophobicContact CD1-CG 3.99Å; Y198-R237 HydrophobicContact CD2-CG 4.27Å; Y198-R237 VanDerWaalsContact CD2-CZ 3.45Å; Y198-R237 HydrophobicContact CE1-CB 4.11Å; Y198-R237 HydrophobicContact CE1-CG 3.71Å; Y198-R237 HydrophobicContact CE2-CG 3.98Å; Y198-R237 HydrophobicContact CG-CG 4.26Å; Y198-M252 HydrophobicContact CD1-CG 4.11Å; Y198-M252 HydrophobicContact CD1-SD 3.65Å; Y198-M252 HydrophobicContact CE1-CG 4.27Å; Y198-M252 HydrophobicContact CE1-SD 4.38Å; Y198-V254 HydrophobicContact CD1-CG2 3.98Å; Y198-V254 HydrophobicContact CE1-CB 4.25Å; Y198-V254 HydrophobicContact CE1-CG2 3.58Å
199	A	82.1	Confident	87.3	Confident	22 Å²	22	27 Å²	27	18%	0.182	17%	0.165	C	C	.	.	H	α-helix	trans	-68.5	-23.4	177.9	0	0	0	0	0	112.3	H195 L196 R231 M252	H195-A199 PolarHBondContact O-N 2.77Å; L196-A199 CarbonylContact O-C 3.58Å; L196-A199 WeakPolarHBondContact O-CA 3.47Å; L196-A199 WeakPolarHBondContact O-CB 3.47Å; L196-A199 PolarHBondContact O-N 3Å; A199-R231 VanDerWaalsContact O-CD 3.3Å; A199-R231 WeakPolarHBondContact O-CD 3.38Å; A199-R231 PolarHBondContact O-NH1 3.47Å; A199-M252 HydrophobicContact CB-SD 4.3Å
200	G	82.3	Confident	87	Confident	29 Å²	29	32.1 Å²	32.1	30%	0.299	19%	0.193	S	C	.	.			trans	53.8	57.6	-178.6	0	0	0	0	0	112.9	L196 S197 Y198	L196-G200 PolarHBondContact O-N 3.47Å; S197-G200 PolarHBondContact O-N 3.31Å; Y198-G200 PolarHBondContact O-N 2.8Å
201	P	82	Confident	86.6	Confident	50 Å²	50	34.1 Å²	34.1	33%	0.325	20%	0.197	S	C	.	.			trans	-62.6	155.5	179.6	29.4	-37.3	0	0	0	111.1	L196 I203 L224	L196-P201 WeakPolarHBondContact O-CD 3.18Å; P201-I203 HydrophobicContact CG-CG1 4.34Å; P201-I203 PolarHBondContact O-N 2.88Å; P201-L224 HydrophobicContact CG-CD2 4.5Å
202	L	82.9	Confident	86.4	Confident	63 Å²	63	31.8 Å²	31.8	33%	0.33	19%	0.186	S	C	.	.			trans	-67.2	117.3	164.5	-177.2	66.8	0	0	0	108.6
203	I	84.1	Confident	86.4	Confident	42 Å²	42	35 Å²	35	22%	0.215	20%	0.2	C	C	.	.			trans	-102.2	111.6	176.1	-58.8	176.6	0	0	0	107.6	V19 P201 A205 L224 L225	V19-I203 VanDerWaalsContact O-O 3.08Å; P201-I203 HydrophobicContact CG-CG1 4.34Å; P201-I203 PolarHBondContact O-N 2.88Å; I203-A205 WeakPolarHBondContact CG2-O 3.43Å; I203-L224 HydrophobicContact CD1-CD2 3.65Å; I203-L224 HydrophobicContact CD1-CG 3.63Å; I203-L225 HydrophobicContact CB-CD2 4.45Å; I203-L225 HydrophobicContact CD1-CD2 3.74Å; I203-L225 HydrophobicContact CG2-CD2 3.74Å
204	Y	80	Confident	86.4	Confident	57 Å²	57	45.4 Å²	45.4	22%	0.224	24%	0.239	C	C	.	.	S	Bend	trans	-89.4	-23	175.5	65	-102.9	0	0	0	112.5	A21 F160 P161 I163	A21-Y204 WeakPolarHBondContact CB-O 3.14Å; F160-Y204 PolarHBondContact O-OH 3.05Å; P161-Y204 WeakPolarHBondContact CD-OH 3Å; P161-Y204 PolarHBondContact O-OH 3.05Å; I163-Y204 HydrophobicContact CD1-CD2 3.59Å; I163-Y204 HydrophobicContact CD1-CE2 4.02Å; I163-Y204 HydrophobicContact CG1-CD2 3.81Å; I163-Y204 HydrophobicContact CG1-CE2 3.68Å
205	A	83.5	Confident	86.5	Confident	25 Å²	25	45.5 Å²	45.5	21%	0.207	23%	0.233	C	C	.	.	S	Bend	trans	-151.8	141.7	174.6	0	0	0	0	0	111.7	A21 F25 I163 I203	A21-A205 HydrophobicContact CB-CB 4.26Å; F25-A205 HydrophobicContact CE2-CB 4.03Å; I163-A205 HydrophobicContact CD1-CB 4.01Å; I163-A205 HydrophobicContact CG1-CB 4.14Å; I203-A205 WeakPolarHBondContact CG2-O 3.43Å
206	G	85.3	Confident	86.6	Confident	14 Å²	14	47.8 Å²	47.8	14%	0.144	24%	0.244	C	C	.	.			trans	175.5	149.7	174.1	0	0	0	0	0	113
207	S	86.3	Confident	87	Confident	19 Å²	19	45.8 Å²	45.8	13%	0.133	23%	0.234	C	C	.	.			trans	-142.7	169.4	168.9	94.5	0	0	0	0	111.4	F25 D26	F25-S207 WeakPolarHBondContact CB-OG 3.48Å; D26-S207 WeakPolarHBondContact OD1-CB 3.33Å; D26-S207 PolarHBondContact OD1-OG 3.15Å
208	V	87.8	Confident	87.3	Confident	8 Å²	8	46 Å²	46	5%	0.048	24%	0.236	C	C	.	.			trans	-133.5	119.6	173.3	-173.5	0	0	0	0	107.7	E212 K213 L221 N222 L225	V208-E212 HydrophobicContact CG1-CB 3.82Å; V208-K213 HydrophobicContact CB-CG 4.09Å; V208-K213 HydrophobicContact CG1-CG 3.65Å; V208-K213 WeakPolarHBondContact O-CE 3.35Å; V208-L221 HydrophobicContact CG2-CB 4Å; V208-L221 HydrophobicContact CG2-CD2 3.78Å; V208-L221 HydrophobicContact CG2-CG 3.59Å; V208-N222 HydrophobicContact CB-CB 4.32Å; V208-N222 HydrophobicContact CG1-CB 4.44Å; V208-N222 HydrophobicContact CG2-CB 4.04Å; V208-L225 HydrophobicContact CG2-CD1 3.9Å
209	P	85.9	Confident	87.6	Confident	14 Å²	14	48.2 Å²	48.2	9%	0.091	25%	0.249	C	C	.	.			trans	-51.6	144.4	169.5	-18.4	21.4	0	0	0	111.9	I29 E211 E212 K213	I29-P209 HydrophobicContact CB-CG 4.37Å; I29-P209 HydrophobicContact CD1-CB 4.27Å; I29-P209 HydrophobicContact CD1-CG 3.42Å; I29-P209 VanDerWaalsContact CD1-CG 3.42Å; I29-P209 HydrophobicContact CG1-CG 3.85Å; I29-P209 HydrophobicContact CG2-CB 3.51Å; I29-P209 HydrophobicContact CG2-CG 3.6Å; P209-E211 HydrophobicContact CB-CG 4.03Å; P209-E211 WeakPolarHBondContact CB-OE1 3.44Å; P209-E211 VanDerWaalsContact CB-OE2 3.27Å; P209-E211 WeakPolarHBondContact CB-OE2 3.44Å; P209-E211 PolarHBondContact O-N 3.36Å; P209-E211 VanDerWaalsContact O-N 3.16Å; P209-E212 HydrophobicContact CB-CB 4.17Å; P209-E212 HydrophobicContact CB-CG 3.96Å; P209-E212 HydrophobicContact CG-CB 4.11Å; P209-E212 HydrophobicContact CG-CG 3.67Å; P209-E212 PolarHBondContact O-N 3.11Å; P209-K213 PolarHBondContact O-N 2.91Å; P209-K213 VanDerWaalsContact O-N 3.13Å
210	D	87.6	Confident	88.2	Confident	108 Å²	108	48.2 Å²	48.2	58%	0.578	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-33.6	177.7	-78.1	-20.4	0	0	0	113.5	E212 K213	D210-E212 VanDerWaalsContact C-N 3.32Å; D210-K213 PolarHBondContact O-N 2.8Å; D210-K213 IonicContact OD1-NZ 3.99Å; D210-K213 PolarHBondContact OD1-NZ 2.96Å
211	E	87.7	Confident	88.6	Confident	58 Å²	58	48.3 Å²	48.3	27%	0.271	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-28.2	175.3	66.7	-88.5	-151	0	0	113.4	K33 R146 P209	K33-E211 WeakPolarHBondContact CE-OE1 3.49Å; K33-E211 WeakPolarHBondContact CE-OE2 3.44Å; K33-E211 IonicContact NZ-OE1 3.81Å; K33-E211 IonicContact NZ-OE2 2.71Å; K33-E211 PolarHBondContact NZ-OE2 3.29Å; R146-E211 IonicContact CZ-OE1 2.68Å; R146-E211 IonicContact NE-OE1 2.69Å; R146-E211 IonicContact NH2-OE1 3.73Å; R146-E211 PolarHBondContact NH2-OE1 3.32Å; P209-E211 HydrophobicContact CB-CG 4.03Å; P209-E211 WeakPolarHBondContact CB-OE1 3.44Å; P209-E211 VanDerWaalsContact CB-OE2 3.27Å; P209-E211 WeakPolarHBondContact CB-OE2 3.44Å; P209-E211 PolarHBondContact O-N 3.36Å; P209-E211 VanDerWaalsContact O-N 3.16Å
212	E	89.3	Confident	89	Confident	6 Å²	6	48.1 Å²	48.1	3%	0.028	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-84.7	-23.4	179.1	-67	-61.9	142.8	0	0	111.4	G147 V208 P209 D210 R214 K215 G218	G147-E212 PolarHBondContact N-OE1 3.43Å; V208-E212 HydrophobicContact CG1-CB 3.82Å; P209-E212 HydrophobicContact CB-CB 4.17Å; P209-E212 HydrophobicContact CB-CG 3.96Å; P209-E212 HydrophobicContact CG-CB 4.11Å; P209-E212 HydrophobicContact CG-CG 3.67Å; P209-E212 PolarHBondContact O-N 3.11Å; D210-E212 VanDerWaalsContact C-N 3.32Å; E212-R214 PolarHBondContact O-N 3.06Å; E212-K215 PolarHBondContact O-N 2.97Å; E212-K215 WeakPolarHBondContact OE1-CE 3.4Å; E212-K215 IonicContact OE1-NZ 2.79Å; E212-K215 PolarHBondContact OE1-NZ 3.1Å; E212-K215 WeakPolarHBondContact OE2-CE 3.2Å; E212-K215 IonicContact OE2-NZ 3.16Å; E212-G218 WeakPolarHBondContact O-CA 3.13Å
213	K	92.2	Very high	89.4	Confident	72 Å²	72	50.6 Å²	50.6	31%	0.313	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-61.6	-13.2	179.3	-70.5	178.1	-173.1	154.5	0	114.7	V208 P209 D210 I219 N222	V208-K213 HydrophobicContact CB-CG 4.09Å; V208-K213 HydrophobicContact CG1-CG 3.65Å; V208-K213 WeakPolarHBondContact O-CE 3.35Å; P209-K213 PolarHBondContact O-N 2.91Å; P209-K213 VanDerWaalsContact O-N 3.13Å; D210-K213 PolarHBondContact O-N 2.8Å; D210-K213 IonicContact OD1-NZ 3.99Å; D210-K213 PolarHBondContact OD1-NZ 2.96Å; K213-I219 VanDerWaalsContact O-CG1 3.26Å; K213-I219 WeakPolarHBondContact O-CG1 3.43Å; K213-N222 WeakPolarHBondContact CE-OD1 3.46Å; K213-N222 HydrophobicContact CG-CB 4.17Å
214	R	93	Very high	89.5	Confident	221 Å²	221	49.2 Å²	49.2	83%	0.834	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-101.5	-1.6	-176.7	-58.8	-175.6	-174.4	-163.9	1	114.1	E212	E212-R214 PolarHBondContact O-N 3.06Å
215	K	93.2	Very high	89.9	Confident	52 Å²	52	47.3 Å²	47.3	23%	0.226	23%	0.231	C	C	.	.	S	Bend	trans	-141.6	152.2	-176.7	62.7	-168.9	-171	163.8	0	110.6	G147 E212 G218 I219	G147-K215 PolarHBondContact O-NZ 3.41Å; E212-K215 PolarHBondContact O-N 2.97Å; E212-K215 WeakPolarHBondContact OE1-CE 3.4Å; E212-K215 IonicContact OE1-NZ 2.79Å; E212-K215 PolarHBondContact OE1-NZ 3.1Å; E212-K215 WeakPolarHBondContact OE2-CE 3.2Å; E212-K215 IonicContact OE2-NZ 3.16Å; K215-G218 WeakPolarHBondContact O-CA 3.03Å; K215-G218 PolarHBondContact O-N 2.85Å; K215-I219 PolarHBondContact O-N 3.18Å
216	E	93.3	Very high	90	Very high	73 Å²	73	50.2 Å²	50.2	34%	0.341	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	144.1	171.5	-67.8	-61.5	167.1	0	0	110.5	R186 T220	R186-E216 PolarHBondContact NH1-O 2.87Å; E216-T220 VanDerWaalsContact CD-OG1 3.25Å; E216-T220 PolarHBondContact OE1-OG1 2.85Å; E216-T220 VanDerWaalsContact OE1-OG1 3.07Å; E216-T220 WeakPolarHBondContact OE2-CB 3.36Å; E216-T220 PolarHBondContact OE2-N 3.45Å; E216-T220 PolarHBondContact OE2-OG1 2.79Å
217	P	94.7	Very high	89.8	Confident	3 Å²	3	51.7 Å²	51.7	2%	0.019	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	cis	-82.9	-5.1	4.5	35.7	-39	0	0	0	115.2	F143 Y145 A189 M193 I219 T220 L221	F143-P217 HydrophobicContact CE1-CB 4.42Å; F143-P217 HydrophobicContact CE1-CG 4.01Å; F143-P217 HydrophobicContact CZ-CB 4.11Å; F143-P217 HydrophobicContact CZ-CG 3.89Å; Y145-P217 HydrophobicContact CD1-CG 3.53Å; Y145-P217 HydrophobicContact CD2-CG 4.46Å; Y145-P217 HydrophobicContact CE1-CG 4.06Å; Y145-P217 HydrophobicContact CG-CG 3.76Å; A189-P217 HydrophobicContact CB-CB 4.46Å; A189-P217 HydrophobicContact CB-CG 3.99Å; M193-P217 HydrophobicContact CB-CB 3.68Å; M193-P217 HydrophobicContact CG-CB 3.97Å; P217-I219 PolarHBondContact O-N 2.93Å; P217-T220 PolarHBondContact O-N 2.59Å; P217-L221 PolarHBondContact O-N 2.75Å
218	G	93.7	Very high	88.8	Confident	4 Å²	4	52.7 Å²	52.7	4%	0.041	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-32.6	-171.7	0	0	0	0	0	114.8	E212 K215 N222	E212-G218 WeakPolarHBondContact O-CA 3.13Å; K215-G218 WeakPolarHBondContact O-CA 3.03Å; K215-G218 PolarHBondContact O-N 2.85Å; G218-N222 WeakPolarHBondContact O-CB 3.48Å; G218-N222 PolarHBondContact O-N 3.43Å
219	I	93.7	Very high	87.5	Confident	73 Å²	73	61.3 Å²	61.3	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-57.9	-53.8	172	-64.7	163.8	0	0	0	110.4	K213 K215 P217 N222 K223	K213-I219 VanDerWaalsContact O-CG1 3.26Å; K213-I219 WeakPolarHBondContact O-CG1 3.43Å; K215-I219 PolarHBondContact O-N 3.18Å; P217-I219 PolarHBondContact O-N 2.93Å; I219-N222 PolarHBondContact O-N 2.86Å; I219-K223 PolarHBondContact O-N 3.41Å
220	T	93	Very high	86.6	Confident	21 Å²	21	63.4 Å²	63.4	13%	0.129	31%	0.313	C	S	.	.	H	α-helix	trans	-63.3	-45.4	-177.9	-63.4	0	0	0	0	111.2	M193 E216 P217 K223 L224	M193-T220 HydrophobicContact CG-CG2 3.78Å; E216-T220 VanDerWaalsContact CD-OG1 3.25Å; E216-T220 PolarHBondContact OE1-OG1 2.85Å; E216-T220 VanDerWaalsContact OE1-OG1 3.07Å; E216-T220 WeakPolarHBondContact OE2-CB 3.36Å; E216-T220 PolarHBondContact OE2-N 3.45Å; E216-T220 PolarHBondContact OE2-OG1 2.79Å; P217-T220 PolarHBondContact O-N 2.59Å; T220-K223 PolarHBondContact O-N 2.75Å; T220-L224 PolarHBondContact O-N 2.83Å
221	L	91.2	Very high	86.1	Confident	32 Å²	32	63.9 Å²	63.9	17%	0.168	31%	0.306	C	S	.	.	H	α-helix	trans	-61.3	-45.7	177.5	-179.6	53.8	0	0	0	111.6	M193 V208 P217 K223 L224 L225	M193-L221 HydrophobicContact CE-CB 3.91Å; M193-L221 HydrophobicContact CE-CD1 3.84Å; M193-L221 HydrophobicContact CE-CD2 3.97Å; M193-L221 HydrophobicContact CE-CG 4.11Å; M193-L221 HydrophobicContact CG-CB 4.15Å; M193-L221 HydrophobicContact SD-CB 3.71Å; M193-L221 HydrophobicContact SD-CD1 3.83Å; M193-L221 HydrophobicContact SD-CG 4.27Å; V208-L221 HydrophobicContact CG2-CB 4Å; V208-L221 HydrophobicContact CG2-CD2 3.78Å; V208-L221 HydrophobicContact CG2-CG 3.59Å; P217-L221 PolarHBondContact O-N 2.75Å; L221-K223 VanDerWaalsContact C-N 3.26Å; L221-K223 PolarHBondContact O-N 2.92Å; L221-L224 WeakPolarHBondContact O-CB 3.47Å; L221-L224 PolarHBondContact O-N 2.8Å; L221-L224 VanDerWaalsContact O-N 3.08Å; L221-L225 HydrophobicContact CD1-CD1 4.36Å; L221-L225 HydrophobicContact CD1-CG 4.15Å; L221-L225 HydrophobicContact CG-CD1 4.28Å; L221-L225 HydrophobicContact CG-CG 4.49Å; L221-L225 WeakPolarHBondContact O-CG 3.43Å; L221-L225 PolarHBondContact O-N 2.8Å
222	N	91.2	Very high	86	Confident	46 Å²	46	63.2 Å²	63.2	25%	0.246	31%	0.307	C	S	.	.	H	α-helix	trans	-60.4	-39.7	178.6	-179.4	70.9	0	0	0	111.2	V208 K213 G218 I219 L225 T226	V208-N222 HydrophobicContact CB-CB 4.32Å; V208-N222 HydrophobicContact CG1-CB 4.44Å; V208-N222 HydrophobicContact CG2-CB 4.04Å; K213-N222 WeakPolarHBondContact CE-OD1 3.46Å; K213-N222 HydrophobicContact CG-CB 4.17Å; G218-N222 WeakPolarHBondContact O-CB 3.48Å; G218-N222 PolarHBondContact O-N 3.43Å; I219-N222 PolarHBondContact O-N 2.86Å; N222-L225 PolarHBondContact O-N 2.99Å; N222-T226 WeakPolarHBondContact O-CB 3.43Å; N222-T226 VanDerWaalsContact O-CG2 3.32Å; N222-T226 WeakPolarHBondContact O-CG2 3.09Å; N222-T226 PolarHBondContact O-N 2.79Å; N222-T226 PolarHBondContact O-OG1 3.16Å
223	K	89.9	Confident	85.8	Confident	114 Å²	114	68.4 Å²	68.4	50%	0.496	34%	0.344	S	S	.	.	H	α-helix	trans	-67.2	-39.6	175.3	-171.5	176.8	163.1	-170.3	0	111.7	I219 T220 L221 L225 T226 S227	I219-K223 PolarHBondContact O-N 3.41Å; T220-K223 PolarHBondContact O-N 2.75Å; L221-K223 VanDerWaalsContact C-N 3.26Å; L221-K223 PolarHBondContact O-N 2.92Å; K223-L225 VanDerWaalsContact C-N 3.35Å; K223-T226 PolarHBondContact O-N 2.79Å; K223-S227 WeakPolarHBondContact O-CB 2.78Å; K223-S227 PolarHBondContact O-N 2.83Å; K223-S227 PolarHBondContact O-OG 3.19Å
224	L	87.2	Confident	85.6	Confident	13 Å²	13	68.1 Å²	68.1	7%	0.068	35%	0.351	C	S	.	.	H	α-helix	trans	-60.1	-45.4	175.9	-179.5	58.1	0	0	0	111.1	P201 I203 T220 L221 G228	P201-L224 HydrophobicContact CG-CD2 4.5Å; I203-L224 HydrophobicContact CD1-CD2 3.65Å; I203-L224 HydrophobicContact CD1-CG 3.63Å; T220-L224 PolarHBondContact O-N 2.83Å; L221-L224 WeakPolarHBondContact O-CB 3.47Å; L221-L224 PolarHBondContact O-N 2.8Å; L221-L224 VanDerWaalsContact O-N 3.08Å; L224-G228 PolarHBondContact O-N 3.08Å
225	L	87.3	Confident	85.3	Confident	17 Å²	17	58.4 Å²	58.4	9%	0.089	32%	0.32	C	S	.	.	H	α-helix	trans	-66.9	-37.9	178.1	-65.6	177	0	0	0	113.6	I20 I203 V208 L221 N222 K223	I20-L225 WeakPolarHBondContact CD1-O 3.41Å; I20-L225 WeakPolarHBondContact CG1-O 3.44Å; I203-L225 HydrophobicContact CB-CD2 4.45Å; I203-L225 HydrophobicContact CD1-CD2 3.74Å; I203-L225 HydrophobicContact CG2-CD2 3.74Å; V208-L225 HydrophobicContact CG2-CD1 3.9Å; L221-L225 HydrophobicContact CD1-CD1 4.36Å; L221-L225 HydrophobicContact CD1-CG 4.15Å; L221-L225 HydrophobicContact CG-CD1 4.28Å; L221-L225 HydrophobicContact CG-CG 4.49Å; L221-L225 WeakPolarHBondContact O-CG 3.43Å; L221-L225 PolarHBondContact O-N 2.8Å; N222-L225 PolarHBondContact O-N 2.99Å; K223-L225 VanDerWaalsContact C-N 3.35Å
226	T	87.4	Confident	85.1	Confident	86 Å²	86	60 Å²	60	53%	0.528	33%	0.328	S	S	.	.	H	α-helix	trans	-95.2	-27	-169.6	53	0	0	0	0	114.7	N222 K223	N222-T226 WeakPolarHBondContact O-CB 3.43Å; N222-T226 VanDerWaalsContact O-CG2 3.32Å; N222-T226 WeakPolarHBondContact O-CG2 3.09Å; N222-T226 PolarHBondContact O-N 2.79Å; N222-T226 PolarHBondContact O-OG1 3.16Å; K223-T226 PolarHBondContact O-N 2.79Å
227	S	79.7	Confident	84.8	Confident	46 Å²	46	61.6 Å²	61.6	32%	0.322	33%	0.331	S	S	.	.	H	α-helix	trans	-106	-24	-175.4	67.6	0	0	0	0	113.5	Q18 K223 K229	Q18-S227 PolarHBondContact NE2-O 3.47Å; K223-S227 WeakPolarHBondContact O-CB 2.78Å; K223-S227 PolarHBondContact O-N 2.83Å; K223-S227 PolarHBondContact O-OG 3.19Å; S227-K229 PolarHBondContact O-N 2.79Å
228	G	65.2	Low	84.6	Confident	39 Å²	39	64.3 Å²	64.3	40%	0.402	35%	0.35	S	S	.	.			trans	46.5	7.3	-176.7	0	0	0	0	0	117.7	Q18 L224	Q18-G228 VanDerWaalsContact NE2-CA 3.29Å; L224-G228 PolarHBondContact O-N 3.08Å
229	K	60.9	Low	84.6	Confident	190 Å²	190	65.1 Å²	65.1	83%	0.826	35%	0.352	S	S	*	.			trans	-121.6	61.8	-178.1	-70.1	-173.8	178.9	-179.8	0	112	S227	S227-K229 PolarHBondContact O-N 2.79Å
230	Q	67.3	Low	84.6	Confident	57 Å²	57	66.4 Å²	66.4	27%	0.266	36%	0.358	S	S	.	.			trans	-104.9	-15.5	171.3	-73.4	-145.6	29.6	0	0	114.8	S197	S197-Q230 WeakPolarHBondContact O-CB 3.3Å; S197-Q230 PolarHBondContact OG-NE2 3.15Å; S197-Q230 PolarHBondContact OG-OE1 3.47Å
231	R	77.6	Confident	84.5	Confident	119 Å²	119	66.1 Å²	66.1	45%	0.449	36%	0.356	S	S	.	.	S	Bend	trans	-75.7	127.7	-178.3	-174.6	179.2	167.1	110.5	-6.1	110.5	Y198 A199 V254	Y198-R231 WeakPolarHBondContact O-CA 3.46Å; A199-R231 VanDerWaalsContact O-CD 3.3Å; A199-R231 WeakPolarHBondContact O-CD 3.38Å; A199-R231 PolarHBondContact O-NH1 3.47Å; R231-V254 HydrophobicContact CG-CB 4.48Å; R231-V254 HydrophobicContact CG-CG1 3.49Å; R231-V254 VanDerWaalsContact CG-CG1 3.49Å; R231-V254 HydrophobicContact CG-CG2 4.17Å; R231-V254 VanDerWaalsContact NE-CG1 3.33Å
232	P	84.1	Confident	84.5	Confident	44 Å²	44	70.7 Å²	70.7	29%	0.286	38%	0.375	S	S	.	.			trans	-67.6	165.7	172.3	32	-37.3	0	0	0	111.2	Y198 S234 V254	Y198-P232 HydrophobicContact CD2-CG 4.1Å; Y198-P232 HydrophobicContact CE1-CG 4.4Å; Y198-P232 HydrophobicContact CE2-CG 3.42Å; Y198-P232 VanDerWaalsContact CE2-CG 3.42Å; P232-S234 VanDerWaalsContact C-N 3.29Å; P232-S234 PolarHBondContact O-N 2.66Å; P232-V254 HydrophobicContact CG-CB 4.46Å; P232-V254 HydrophobicContact CG-CG1 3.93Å; P232-V254 WeakPolarHBondContact O-CG1 3.23Å
233	S	85.1	Confident	84.4	Confident	114 Å²	114	68.6 Å²	68.6	80%	0.797	36%	0.363	S	S	*	.	S	Bend	trans	-62.7	-36.5	175.5	56.4	0	0	0	0	112.6	G255	S233-G255 WeakPolarHBondContact O-CA 3.29Å
234	S	88.3	Confident	84.2	Confident	67 Å²	67	65.1 Å²	65.1	47%	0.469	36%	0.361	S	S	.	.	S	Bend	trans	-155.9	152.7	176.7	61.6	0	0	0	0	111	P232 V254	P232-S234 VanDerWaalsContact C-N 3.29Å; P232-S234 PolarHBondContact O-N 2.66Å; S234-V254 CarbonylContact C-O 3.5Å; S234-V254 WeakPolarHBondContact CA-O 3.43Å
235	G	88.2	Confident	84.1	Confident	17 Å²	17	73.7 Å²	73.7	18%	0.175	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160	-175	168.3	0	0	0	0	0	113.5	Y198 K253 V254	Y198-G235 VanDerWaalsContact OH-C 3.29Å; Y198-G235 WeakPolarHBondContact OH-CA 3.2Å; G235-K253 CarbonylContact O-C 3.53Å; G235-K253 WeakPolarHBondContact O-CA 3.44Å; G235-V254 PolarHBondContact N-O 3.07Å; G235-V254 PolarHBondContact O-N 2.78Å
236	E	87.3	Confident	84.1	Confident	85 Å²	85	76.3 Å²	76.3	40%	0.397	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	147.8	176.5	60.9	-165.3	-142.1	0	0	110	Y198 M252 R256 L265	Y198-E236 PolarHBondContact OH-N 2.83Å; E236-M252 CarbonylContact C-O 3.44Å; E236-M252 VanDerWaalsContact CA-O 3.27Å; E236-M252 WeakPolarHBondContact CA-O 3.28Å; E236-R256 IonicContact OE2-NH1 2.98Å; E236-R256 PolarHBondContact OE2-NH1 2.82Å; E236-L265 HydrophobicContact CB-CD1 4.45Å; E236-L265 HydrophobicContact CB-CD2 3.99Å; E236-L265 HydrophobicContact CB-CG 4.44Å
237	R	88	Confident	84.3	Confident	106 Å²	106	75.2 Å²	75.2	40%	0.4	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	152	170.2	-75.8	-166.7	179.1	-167	2.5	110.4	Y198 M252	Y198-R237 HydrophobicContact CD1-CB 4.27Å; Y198-R237 HydrophobicContact CD1-CG 3.99Å; Y198-R237 HydrophobicContact CD2-CG 4.27Å; Y198-R237 VanDerWaalsContact CD2-CZ 3.45Å; Y198-R237 HydrophobicContact CE1-CB 4.11Å; Y198-R237 HydrophobicContact CE1-CG 3.71Å; Y198-R237 HydrophobicContact CE2-CG 3.98Å; Y198-R237 HydrophobicContact CG-CG 4.26Å; R237-M252 HydrophobicContact CB-CG 3.71Å; R237-M252 HydrophobicContact CB-SD 4.02Å; R237-M252 PolarHBondContact N-O 2.91Å; R237-M252 WeakPolarHBondContact O-CG 3.49Å; R237-M252 PolarHBondContact O-N 3.21Å
238	S	90.8	Very high	85	Confident	60 Å²	60	74.4 Å²	74.4	42%	0.42	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	153.1	165.8	62.3	0	0	0	0	110.5	F250	S238-F250 CarbonylContact C-O 3.53Å; S238-F250 WeakPolarHBondContact CA-O 3.37Å; S238-F250 VanDerWaalsContact CB-O 3.27Å; S238-F250 WeakPolarHBondContact CB-O 3.32Å
239	F	92.9	Very high	86.3	Confident	22 Å²	22	75.6 Å²	75.6	10%	0.096	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	159.9	169.5	73.4	-78.7	0	0	0	110.7	Q191 I192 H195 T241 F249 F250 M252	Q191-F239 HydrophobicContact CB-CD2 4.07Å; Q191-F239 HydrophobicContact CB-CE2 3.85Å; I192-F239 HydrophobicContact CG1-CE2 4.26Å; I192-F239 HydrophobicContact CG1-CZ 3.87Å; H195-F239 HydrophobicContact CB-CD1 4.06Å; H195-F239 HydrophobicContact CB-CE1 3.55Å; H195-F239 HydrophobicContact CB-CZ 4.37Å; H195-F239 AromaticContact CD2-CD1 3.32Å; H195-F239 WeakPolarHBondContact CD2-CD1 3.49Å; H195-F239 AromaticContact CD2-CE1 3.77Å; H195-F239 AromaticContact CE1-CD1 3.3Å; H195-F239 WeakPolarHBondContact CE1-CD1 3.44Å; H195-F239 AromaticContact CE1-CE1 4Å; H195-F239 AromaticContact CE1-CG 3.52Å; H195-F239 AromaticContact CG-CD1 3.27Å; H195-F239 AromaticContact CG-CE1 3.29Å; H195-F239 AromaticContact ND1-CD1 3.27Å; H195-F239 VanDerWaalsContact ND1-CD1 3.27Å; H195-F239 WeakPolarHBondContact ND1-CD1 3.5Å; H195-F239 AromaticContact ND1-CE1 3.47Å; H195-F239 WeakPolarHBondContact ND1-CE1 3.32Å; H195-F239 AromaticContact ND1-CG 3.77Å; H195-F239 AromaticContact NE2-CD1 3.35Å; H195-F239 WeakPolarHBondContact NE2-CD1 3.18Å; H195-F239 AromaticContact NE2-CG 3.86Å; F239-T241 HydrophobicContact CE2-CG2 4.13Å; F239-F249 WeakPolarHBondContact O-CA 3.45Å; F239-F250 HydrophobicContact CD1-CB 3.55Å; F239-F250 HydrophobicContact CD1-CD2 4.39Å; F239-F250 HydrophobicContact CD1-CG 4.18Å; F239-F250 HydrophobicContact CD2-CD2 4.28Å; F239-F250 HydrophobicContact CE1-CB 3.19Å; F239-F250 HydrophobicContact CE1-CD1 4.09Å; F239-F250 AromaticContact CE1-CD2 3.75Å; F239-F250 HydrophobicContact CE1-CD2 3.75Å; F239-F250 AromaticContact CE1-CG 3.42Å; F239-F250 HydrophobicContact CE1-CG 3.42Å; F239-F250 VanDerWaalsContact CE1-CG 3.42Å; F239-F250 HydrophobicContact CE2-CB 4.5Å; F239-F250 AromaticContact CE2-CD2 3.58Å; F239-F250 HydrophobicContact CE2-CD2 3.58Å; F239-F250 HydrophobicContact CE2-CE2 4.02Å; F239-F250 HydrophobicContact CE2-CG 4.15Å; F239-F250 HydrophobicContact CG-CB 4.37Å; F239-F250 HydrophobicContact CZ-CB 3.73Å; F239-F250 HydrophobicContact CZ-CD1 4Å; F239-F250 AromaticContact CZ-CD2 3.27Å; F239-F250 HydrophobicContact CZ-CD2 3.27Å; F239-F250 HydrophobicContact CZ-CE1 4.44Å; F239-F250 AromaticContact CZ-CE2 3.82Å; F239-F250 HydrophobicContact CZ-CE2 3.82Å; F239-F250 AromaticContact CZ-CG 3.39Å; F239-F250 HydrophobicContact CZ-CG 3.39Å; F239-F250 HydrophobicContact CZ-CZ 4.36Å; F239-F250 PolarHBondContact N-O 3.35Å; F239-F250 VanDerWaalsContact N-O 3.07Å; F239-F250 PolarHBondContact O-N 2.84Å; F239-M252 HydrophobicContact CE1-CE 4.45Å
240	M	93.5	Very high	87.8	Confident	100 Å²	100	68.6 Å²	68.6	49%	0.493	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	141.8	171.5	175.4	-173.5	34.8	0	0	109.2	N247 F248 F249	M240-N247 HydrophobicContact SD-CB 4.37Å; M240-F248 CarbonylContact C-O 3.6Å; M240-F248 VanDerWaalsContact CA-O 3.26Å; M240-F248 WeakPolarHBondContact CA-O 3.47Å; M240-F249 HydrophobicContact CB-CD1 3.84Å; M240-F249 HydrophobicContact CB-CE1 3.82Å; M240-F249 HydrophobicContact CG-CD1 4.13Å; M240-F249 HydrophobicContact CG-CE1 3.8Å; M240-F249 HydrophobicContact CG-CZ 4.04Å; M240-F249 HydrophobicContact SD-CE1 3.74Å; M240-F249 HydrophobicContact SD-CZ 3.68Å
241	T	92.1	Very high	88.9	Confident	14 Å²	14	67.4 Å²	67.4	9%	0.086	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	176.3	169.2	-162.4	0	0	0	0	110.3	M188 Q191 F239 F248 F250	M188-T241 HydrophobicContact CE-CG2 4.09Å; M188-T241 HydrophobicContact CG-CG2 3.76Å; M188-T241 WeakPolarHBondContact CG-OG1 3.1Å; M188-T241 HydrophobicContact SD-CG2 3.95Å; Q191-T241 PolarHBondContact OE1-OG1 2.84Å; F239-T241 HydrophobicContact CE2-CG2 4.13Å; T241-F248 HydrophobicContact CG2-CB 4.17Å; T241-F248 PolarHBondContact N-O 3.19Å; T241-F248 PolarHBondContact O-N 3.25Å; T241-F250 HydrophobicContact CG2-CD2 4.5Å; T241-F250 HydrophobicContact CG2-CE2 3.88Å
242	K	90.6	Very high	89.4	Confident	129 Å²	129	63 Å²	63	56%	0.561	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129	124.3	-178.3	-73.8	-173.6	177.3	-176.6	0	111.6	M188 Q246 N247	M188-K242 WeakPolarHBondContact CE-O 3.5Å; K242-Q246 VanDerWaalsContact CA-O 3.27Å; K242-Q246 WeakPolarHBondContact CA-O 3.35Å; K242-N247 WeakPolarHBondContact CE-OD1 3.27Å; K242-N247 WeakPolarHBondContact CG-OD1 3.3Å
243	A	88.4	Confident	89.4	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.008	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.3	166.7	0	0	0	0	0	108.4	W68 L182 M188 K245 Q246 F248	W68-A243 HydrophobicContact CB-CB 3.97Å; W68-A243 HydrophobicContact CG-CB 4.4Å; L182-A243 HydrophobicContact CD2-CB 4.21Å; M188-A243 HydrophobicContact CE-CB 3.97Å; A243-K245 PolarHBondContact O-N 3.43Å; A243-Q246 PolarHBondContact N-O 3.22Å; A243-Q246 PolarHBondContact O-N 3.03Å; A243-Q246 VanDerWaalsContact O-N 3.09Å; A243-F248 HydrophobicContact CB-CD2 3.91Å; A243-F248 HydrophobicContact CB-CE2 3.68Å
244	G	85.5	Confident	89.4	Confident	42 Å²	42	56.7 Å²	56.7	43%	0.433	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.5	-122.3	-166.5	0	0	0	0	0	111.7
245	K	85	Confident	89.1	Confident	193 Å²	193	55.3 Å²	55.3	84%	0.839	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-5.3	178.5	-64.1	-176.3	-179.2	179.4	0	113.8	A243	A243-K245 PolarHBondContact O-N 3.43Å
246	Q	88.5	Confident	88.8	Confident	71 Å²	71	59.3 Å²	59.3	33%	0.332	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	135	-172.8	-177.5	57.1	53.3	0	0	111.2	W68 K242 A243 F248	W68-Q246 HydrophobicContact CZ2-CB 4.21Å; W68-Q246 HydrophobicContact CZ2-CG 4.03Å; K242-Q246 VanDerWaalsContact CA-O 3.27Å; K242-Q246 WeakPolarHBondContact CA-O 3.35Å; A243-Q246 PolarHBondContact N-O 3.22Å; A243-Q246 PolarHBondContact O-N 3.03Å; A243-Q246 VanDerWaalsContact O-N 3.09Å; Q246-F248 HydrophobicContact CB-CD2 4.48Å; Q246-F248 HydrophobicContact CB-CE2 3.81Å; Q246-F248 HydrophobicContact CG-CD2 4.17Å; Q246-F248 HydrophobicContact CG-CE2 3.53Å; Q246-F248 HydrophobicContact CG-CZ 3.92Å
247	N	91.8	Very high	88.2	Confident	63 Å²	63	58.6 Å²	58.6	34%	0.337	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.9	171.7	-66.4	-32.8	0	0	0	110.1	M240 K242 F249	M240-N247 HydrophobicContact SD-CB 4.37Å; K242-N247 WeakPolarHBondContact CE-OD1 3.27Å; K242-N247 WeakPolarHBondContact CG-OD1 3.3Å; N247-F249 HydrophobicContact CB-CE2 3.86Å; N247-F249 HydrophobicContact CB-CZ 4.35Å
248	F	93.2	Very high	87.9	Confident	29 Å²	29	59.2 Å²	59.2	13%	0.127	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	133.2	172.7	-75.2	-91	0	0	0	109.7	W68 I180 L182 M240 T241 A243 Q246 F250	W68-F248 HydrophobicContact CB-CE2 3.98Å; W68-F248 HydrophobicContact CB-CZ 3.73Å; W68-F248 HydrophobicContact CD2-CE2 4.19Å; W68-F248 AromaticContact CD2-CZ 3.68Å; W68-F248 HydrophobicContact CD2-CZ 3.68Å; W68-F248 AromaticContact CE3-CZ 3.89Å; W68-F248 HydrophobicContact CE3-CZ 3.89Å; W68-F248 AromaticContact CG-CE2 3.8Å; W68-F248 HydrophobicContact CG-CE2 3.8Å; W68-F248 AromaticContact CG-CZ 3.63Å; W68-F248 HydrophobicContact CG-CZ 3.63Å; I180-F248 HydrophobicContact CG2-CE1 4.14Å; L182-F248 HydrophobicContact CD1-CD1 4.35Å; L182-F248 HydrophobicContact CD1-CG 4.34Å; L182-F248 HydrophobicContact CD2-CD1 3.76Å; L182-F248 HydrophobicContact CD2-CD2 4.04Å; L182-F248 HydrophobicContact CD2-CE1 3.45Å; L182-F248 VanDerWaalsContact CD2-CE1 3.45Å; L182-F248 HydrophobicContact CD2-CE2 3.75Å; L182-F248 HydrophobicContact CD2-CG 4.04Å; L182-F248 HydrophobicContact CD2-CZ 3.44Å; L182-F248 VanDerWaalsContact CD2-CZ 3.44Å; M240-F248 CarbonylContact C-O 3.6Å; M240-F248 VanDerWaalsContact CA-O 3.26Å; M240-F248 WeakPolarHBondContact CA-O 3.47Å; T241-F248 HydrophobicContact CG2-CB 4.17Å; T241-F248 PolarHBondContact N-O 3.19Å; T241-F248 PolarHBondContact O-N 3.25Å; A243-F248 HydrophobicContact CB-CD2 3.91Å; A243-F248 HydrophobicContact CB-CE2 3.68Å; Q246-F248 HydrophobicContact CB-CD2 4.48Å; Q246-F248 HydrophobicContact CB-CE2 3.81Å; Q246-F248 HydrophobicContact CG-CD2 4.17Å; Q246-F248 HydrophobicContact CG-CE2 3.53Å; Q246-F248 HydrophobicContact CG-CZ 3.92Å; F248-F250 HydrophobicContact CB-CE2 4.05Å
249	F	93.7	Very high	87.4	Confident	64 Å²	64	56.7 Å²	56.7	28%	0.281	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.3	178.8	-61.9	-97.3	0	0	0	109.2	F239 M240 N247 F251 F270 Y328	F239-F249 WeakPolarHBondContact O-CA 3.45Å; M240-F249 HydrophobicContact CB-CD1 3.84Å; M240-F249 HydrophobicContact CB-CE1 3.82Å; M240-F249 HydrophobicContact CG-CD1 4.13Å; M240-F249 HydrophobicContact CG-CE1 3.8Å; M240-F249 HydrophobicContact CG-CZ 4.04Å; M240-F249 HydrophobicContact SD-CE1 3.74Å; M240-F249 HydrophobicContact SD-CZ 3.68Å; N247-F249 HydrophobicContact CB-CE2 3.86Å; N247-F249 HydrophobicContact CB-CZ 4.35Å; F249-F251 HydrophobicContact CB-CD2 4.44Å; F249-F251 HydrophobicContact CB-CE2 3.59Å; F249-F251 HydrophobicContact CB-CZ 4.02Å; F249-F270 HydrophobicContact CB-CZ 4.01Å; F249-F270 HydrophobicContact CD1-CE1 4.01Å; F249-F270 AromaticContact CD1-CZ 3.83Å; F249-F270 HydrophobicContact CD1-CZ 3.83Å; F249-F270 HydrophobicContact CD2-CE1 4.03Å; F249-F270 AromaticContact CD2-CZ 3.69Å; F249-F270 HydrophobicContact CD2-CZ 3.69Å; F249-F270 AromaticContact CE1-CE1 3.88Å; F249-F270 HydrophobicContact CE1-CE1 3.88Å; F249-F270 HydrophobicContact CE1-CZ 4.18Å; F249-F270 AromaticContact CE2-CE1 3.91Å; F249-F270 HydrophobicContact CE2-CE1 3.91Å; F249-F270 HydrophobicContact CE2-CZ 4.06Å; F249-F270 HydrophobicContact CG-CE1 4.09Å; F249-F270 AromaticContact CG-CZ 3.57Å; F249-F270 HydrophobicContact CG-CZ 3.57Å; F249-F270 AromaticContact CZ-CE1 3.83Å; F249-F270 HydrophobicContact CZ-CE1 3.83Å; F249-F270 HydrophobicContact CZ-CZ 4.29Å; F249-Y328 HydrophobicContact CE2-CE1 4.02Å
250	F	92.6	Very high	87.2	Confident	43 Å²	43	56.2 Å²	56.2	19%	0.189	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	133.8	177.5	-69.8	-101	0	0	0	108.3	F152 L182 I192 S238 F239 T241 F248	F152-F250 HydrophobicContact CD1-CE1 4.43Å; F152-F250 AromaticContact CE1-CE1 3.96Å; F152-F250 HydrophobicContact CE1-CE1 3.96Å; F152-F250 HydrophobicContact CE1-CZ 4.5Å; L182-F250 HydrophobicContact CD1-CE2 4.26Å; L182-F250 HydrophobicContact CD1-CZ 3.72Å; I192-F250 HydrophobicContact CD1-CZ 4.1Å; I192-F250 HydrophobicContact CG1-CZ 4.16Å; S238-F250 CarbonylContact C-O 3.53Å; S238-F250 WeakPolarHBondContact CA-O 3.37Å; S238-F250 VanDerWaalsContact CB-O 3.27Å; S238-F250 WeakPolarHBondContact CB-O 3.32Å; F239-F250 HydrophobicContact CD1-CB 3.55Å; F239-F250 HydrophobicContact CD1-CD2 4.39Å; F239-F250 HydrophobicContact CD1-CG 4.18Å; F239-F250 HydrophobicContact CD2-CD2 4.28Å; F239-F250 HydrophobicContact CE1-CB 3.19Å; F239-F250 HydrophobicContact CE1-CD1 4.09Å; F239-F250 AromaticContact CE1-CD2 3.75Å; F239-F250 HydrophobicContact CE1-CD2 3.75Å; F239-F250 AromaticContact CE1-CG 3.42Å; F239-F250 HydrophobicContact CE1-CG 3.42Å; F239-F250 VanDerWaalsContact CE1-CG 3.42Å; F239-F250 HydrophobicContact CE2-CB 4.5Å; F239-F250 AromaticContact CE2-CD2 3.58Å; F239-F250 HydrophobicContact CE2-CD2 3.58Å; F239-F250 HydrophobicContact CE2-CE2 4.02Å; F239-F250 HydrophobicContact CE2-CG 4.15Å; F239-F250 HydrophobicContact CG-CB 4.37Å; F239-F250 HydrophobicContact CZ-CB 3.73Å; F239-F250 HydrophobicContact CZ-CD1 4Å; F239-F250 AromaticContact CZ-CD2 3.27Å; F239-F250 HydrophobicContact CZ-CD2 3.27Å; F239-F250 HydrophobicContact CZ-CE1 4.44Å; F239-F250 AromaticContact CZ-CE2 3.82Å; F239-F250 HydrophobicContact CZ-CE2 3.82Å; F239-F250 AromaticContact CZ-CG 3.39Å; F239-F250 HydrophobicContact CZ-CG 3.39Å; F239-F250 HydrophobicContact CZ-CZ 4.36Å; F239-F250 PolarHBondContact N-O 3.35Å; F239-F250 VanDerWaalsContact N-O 3.07Å; F239-F250 PolarHBondContact O-N 2.84Å; T241-F250 HydrophobicContact CG2-CD2 4.5Å; T241-F250 HydrophobicContact CG2-CE2 3.88Å; F248-F250 HydrophobicContact CB-CE2 4.05Å
251	F	90.5	Very high	86.9	Confident	32 Å²	32	52.2 Å²	52.2	14%	0.14	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	134.9	176.8	-60.5	-85.7	0	0	0	108.1	F249 L261 L265 I266 N269 F270	F249-F251 HydrophobicContact CB-CD2 4.44Å; F249-F251 HydrophobicContact CB-CE2 3.59Å; F249-F251 HydrophobicContact CB-CZ 4.02Å; F251-L261 HydrophobicContact CB-CD1 4.43Å; F251-L265 HydrophobicContact CB-CD2 4.18Å; F251-L265 HydrophobicContact CD1-CB 4.05Å; F251-L265 HydrophobicContact CD1-CD2 4.45Å; F251-I266 HydrophobicContact CB-CG1 4.47Å; F251-I266 HydrophobicContact CD1-CG1 4.48Å; F251-I266 HydrophobicContact CD2-CD1 4.44Å; F251-I266 HydrophobicContact CD2-CG1 3.84Å; F251-I266 HydrophobicContact CE2-CG1 4.17Å; F251-I266 HydrophobicContact CG-CG1 4.01Å; F251-N269 HydrophobicContact CE1-CB 3.68Å; F251-N269 HydrophobicContact CZ-CB 3.97Å; F251-F270 AromaticContact CE2-CE2 3.78Å; F251-F270 HydrophobicContact CE2-CE2 3.78Å; F251-F270 HydrophobicContact CE2-CZ 4.13Å; F251-F270 AromaticContact CZ-CE2 3.66Å; F251-F270 HydrophobicContact CZ-CE2 3.66Å; F251-F270 AromaticContact CZ-CZ 3.93Å; F251-F270 HydrophobicContact CZ-CZ 3.93Å
252	M	86.6	Confident	86.8	Confident	26 Å²	26	51.7 Å²	51.7	13%	0.128	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145.1	175.8	56	-161.2	67.3	0	0	110.7	H195 Y198 A199 E236 R237 F239	H195-M252 HydrophobicContact CB-CE 3.48Å; H195-M252 VanDerWaalsContact CB-CE 3.48Å; H195-M252 HydrophobicContact CB-SD 4.03Å; H195-M252 VanDerWaalsContact O-SD 3.34Å; Y198-M252 HydrophobicContact CD1-CG 4.11Å; Y198-M252 HydrophobicContact CD1-SD 3.65Å; Y198-M252 HydrophobicContact CE1-CG 4.27Å; Y198-M252 HydrophobicContact CE1-SD 4.38Å; A199-M252 HydrophobicContact CB-SD 4.3Å; E236-M252 CarbonylContact C-O 3.44Å; E236-M252 VanDerWaalsContact CA-O 3.27Å; E236-M252 WeakPolarHBondContact CA-O 3.28Å; R237-M252 HydrophobicContact CB-CG 3.71Å; R237-M252 HydrophobicContact CB-SD 4.02Å; R237-M252 PolarHBondContact N-O 2.91Å; R237-M252 WeakPolarHBondContact O-CG 3.49Å; R237-M252 PolarHBondContact O-N 3.21Å; F239-M252 HydrophobicContact CE1-CE 4.45Å
253	K	85.2	Confident	86.8	Confident	27 Å²	27	45.8 Å²	45.8	12%	0.117	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	146.7	167.9	67.6	174.5	-172.3	155.1	0	109.2	G235 R256 P257 A259 L261	G235-K253 CarbonylContact O-C 3.53Å; G235-K253 WeakPolarHBondContact O-CA 3.44Å; K253-R256 WeakPolarHBondContact CD-O 3.38Å; K253-R256 PolarHBondContact NZ-O 2.94Å; K253-P257 PolarHBondContact NZ-O 3.12Å; K253-P257 VanDerWaalsContact NZ-O 3.13Å; K253-A259 HydrophobicContact CD-CB 4.13Å; K253-A259 PolarHBondContact NZ-O 3.09Å; K253-L261 HydrophobicContact CB-CD1 4.23Å; K253-L261 HydrophobicContact CD-CD1 4.34Å; K253-L261 HydrophobicContact CG-CD1 4.07Å
254	V	85	Confident	86.8	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.4	-179.4	163.6	0	0	0	0	107.4	Y198 R231 P232 S234 G235 R256	Y198-V254 HydrophobicContact CD1-CG2 3.98Å; Y198-V254 HydrophobicContact CE1-CB 4.25Å; Y198-V254 HydrophobicContact CE1-CG2 3.58Å; R231-V254 HydrophobicContact CG-CB 4.48Å; R231-V254 HydrophobicContact CG-CG1 3.49Å; R231-V254 VanDerWaalsContact CG-CG1 3.49Å; R231-V254 HydrophobicContact CG-CG2 4.17Å; R231-V254 VanDerWaalsContact NE-CG1 3.33Å; P232-V254 HydrophobicContact CG-CB 4.46Å; P232-V254 HydrophobicContact CG-CG1 3.93Å; P232-V254 WeakPolarHBondContact O-CG1 3.23Å; S234-V254 CarbonylContact C-O 3.5Å; S234-V254 WeakPolarHBondContact CA-O 3.43Å; G235-V254 PolarHBondContact N-O 3.07Å; G235-V254 PolarHBondContact O-N 2.78Å; V254-R256 WeakPolarHBondContact O-CG 3.42Å; V254-R256 PolarHBondContact O-N 3.47Å
255	G	81.9	Confident	86.9	Confident	38 Å²	38	46.8 Å²	46.8	39%	0.392	23%	0.233	S	C	.	.	S	Bend	trans	59	31.1	173.4	0	0	0	0	0	114.9	S233	S233-G255 WeakPolarHBondContact O-CA 3.29Å
256	R	81.2	Confident	87.3	Confident	100 Å²	100	37.7 Å²	37.7	38%	0.377	19%	0.194	S	C	.	.			trans	-135.3	64.5	178.3	-59	-175.1	86.2	168.8	11.2	110.3	E236 K253 V254 E258 A259	E236-R256 IonicContact OE2-NH1 2.98Å; E236-R256 PolarHBondContact OE2-NH1 2.82Å; K253-R256 WeakPolarHBondContact CD-O 3.38Å; K253-R256 PolarHBondContact NZ-O 2.94Å; V254-R256 WeakPolarHBondContact O-CG 3.42Å; V254-R256 PolarHBondContact O-N 3.47Å; R256-E258 PolarHBondContact O-N 3.32Å; R256-A259 HydrophobicContact CB-CB 3.81Å; R256-A259 PolarHBondContact O-N 2.97Å; R256-A259 VanDerWaalsContact O-N 3.16Å
257	P	76.1	Confident	87.5	Confident	70 Å²	70	34.8 Å²	34.8	46%	0.455	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.7	-177.6	22.2	-32.9	0	0	0	112.3	K253 A259	K253-P257 PolarHBondContact NZ-O 3.12Å; K253-P257 VanDerWaalsContact NZ-O 3.13Å; P257-A259 PolarHBondContact O-N 2.95Å
258	E	80	Confident	87.4	Confident	119 Å²	119	39 Å²	39	56%	0.556	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-17.5	-178.9	74.2	-66	157.7	0	0	115.4	R256	R256-E258 PolarHBondContact O-N 3.32Å
259	A	82.1	Confident	87.4	Confident	8 Å²	8	41.3 Å²	41.3	7%	0.066	21%	0.209	C	C	.	.	S	Bend	trans	-73.8	135.9	-176.1	0	0	0	0	0	112.1	K253 R256 P257 L261	K253-A259 HydrophobicContact CD-CB 4.13Å; K253-A259 PolarHBondContact NZ-O 3.09Å; R256-A259 HydrophobicContact CB-CB 3.81Å; R256-A259 PolarHBondContact O-N 2.97Å; R256-A259 VanDerWaalsContact O-N 3.16Å; P257-A259 PolarHBondContact O-N 2.95Å; A259-L261 PolarHBondContact O-N 3.24Å
260	D	87.3	Confident	87.3	Confident	11 Å²	11	39.3 Å²	39.3	6%	0.059	20%	0.201	C	C	.	.			trans	-83.3	99.1	176.1	179.4	0.2	0	0	0	109	T262 G263 D264 L289 R336	D260-T262 PolarHBondContact O-N 3.22Å; D260-T262 PolarHBondContact OD1-N 3.13Å; D260-G263 PolarHBondContact O-N 3.45Å; D260-G263 VanDerWaalsContact O-N 3.17Å; D260-G263 PolarHBondContact OD1-N 3.16Å; D260-G263 VanDerWaalsContact OD1-N 3.16Å; D260-D264 PolarHBondContact N-OD2 3.07Å; D260-D264 VanDerWaalsContact O-CB 3.26Å; D260-D264 WeakPolarHBondContact O-CB 3.42Å; D260-D264 PolarHBondContact O-N 2.82Å; D260-L289 HydrophobicContact CB-CD1 3.84Å; D260-R336 IonicContact OD1-NE 3.67Å; D260-R336 PolarHBondContact OD1-NE 2.83Å; D260-R336 IonicContact OD2-CZ 3.9Å; D260-R336 VanDerWaalsContact OD2-CZ 3.26Å; D260-R336 IonicContact OD2-NE 2.78Å; D260-R336 PolarHBondContact OD2-NE 2.93Å; D260-R336 VanDerWaalsContact OD2-NE 3.11Å; D260-R336 IonicContact OD2-NH2 3.78Å; D260-R336 PolarHBondContact OD2-NH2 3.02Å
261	L	87.7	Confident	87.4	Confident	16 Å²	16	40.3 Å²	40.3	8%	0.084	21%	0.213	C	C	.	.	I	π-helix	trans	-53	-43	-176.6	-173.8	74.4	0	0	0	111.7	F251 K253 A259 L265 I266	F251-L261 HydrophobicContact CB-CD1 4.43Å; K253-L261 HydrophobicContact CB-CD1 4.23Å; K253-L261 HydrophobicContact CD-CD1 4.34Å; K253-L261 HydrophobicContact CG-CD1 4.07Å; A259-L261 PolarHBondContact O-N 3.24Å; L261-L265 HydrophobicContact CD1-CD1 4.42Å; L261-L265 HydrophobicContact CD1-CD2 3.79Å; L261-L265 HydrophobicContact CD1-CG 4.5Å; L261-L265 WeakPolarHBondContact O-CB 3.3Å; L261-L265 PolarHBondContact O-N 2.74Å; L261-I266 PolarHBondContact O-N 2.89Å
262	T	90.4	Very high	87.5	Confident	3 Å²	3	41.5 Å²	41.5	2%	0.018	22%	0.219	C	C	.	.	I	π-helix	trans	-70.6	-47.8	-179.9	-50.2	0	0	0	0	111.3	D260 I266 V267 F274 V276 V299	D260-T262 PolarHBondContact O-N 3.22Å; D260-T262 PolarHBondContact OD1-N 3.13Å; T262-I266 HydrophobicContact CG2-CB 4.29Å; T262-I266 HydrophobicContact CG2-CD1 4.44Å; T262-I266 WeakPolarHBondContact O-CB 3.17Å; T262-I266 PolarHBondContact O-N 3.07Å; T262-V267 HydrophobicContact CG2-CG2 4.15Å; T262-V267 WeakPolarHBondContact O-CB 3.26Å; T262-V267 WeakPolarHBondContact O-CG2 3.41Å; T262-V267 PolarHBondContact O-N 2.89Å; T262-F274 HydrophobicContact CG2-CB 3.98Å; T262-F274 HydrophobicContact CG2-CG 4.43Å; T262-V276 HydrophobicContact CG2-CG2 3.66Å; T262-V299 HydrophobicContact CG2-CG1 4.15Å
263	G	89.9	Confident	87.9	Confident	5 Å²	5	42.9 Å²	42.9	5%	0.052	23%	0.229	C	C	.	.	I	π-helix	trans	-71.9	-38.7	-176.4	0	0	0	0	0	114.9	D260 R292	D260-G263 PolarHBondContact O-N 3.45Å; D260-G263 VanDerWaalsContact O-N 3.17Å; D260-G263 PolarHBondContact OD1-N 3.16Å; D260-G263 VanDerWaalsContact OD1-N 3.16Å; G263-R292 PolarHBondContact O-NH1 2.93Å
264	D	87.6	Confident	88.4	Confident	53 Å²	53	41.6 Å²	41.6	28%	0.283	22%	0.224	S	C	.	.	I	π-helix	trans	-92.2	-28.7	-170.5	-59	-29.3	0	0	0	112.2	D260 R292	D260-D264 PolarHBondContact N-OD2 3.07Å; D260-D264 VanDerWaalsContact O-CB 3.26Å; D260-D264 WeakPolarHBondContact O-CB 3.42Å; D260-D264 PolarHBondContact O-N 2.82Å; D264-R292 IonicContact OD1-CZ 2.82Å; D264-R292 VanDerWaalsContact OD1-CZ 3.24Å; D264-R292 IonicContact OD1-NH1 3.49Å; D264-R292 PolarHBondContact OD1-NH1 2.92Å; D264-R292 IonicContact OD1-NH2 3.5Å; D264-R292 PolarHBondContact OD1-NH2 2.93Å; D264-R292 IonicContact OD2-NH2 2.75Å
265	L	89.5	Confident	88.9	Confident	12 Å²	12	43.4 Å²	43.4	6%	0.063	24%	0.236	C	C	.	.	I	π-helix	trans	-108.5	-61.7	177.5	-74.3	71.3	0	0	0	112.1	E236 F251 L261 N269	E236-L265 HydrophobicContact CB-CD1 4.45Å; E236-L265 HydrophobicContact CB-CD2 3.99Å; E236-L265 HydrophobicContact CB-CG 4.44Å; F251-L265 HydrophobicContact CB-CD2 4.18Å; F251-L265 HydrophobicContact CD1-CB 4.05Å; F251-L265 HydrophobicContact CD1-CD2 4.45Å; L261-L265 HydrophobicContact CD1-CD1 4.42Å; L261-L265 HydrophobicContact CD1-CD2 3.79Å; L261-L265 HydrophobicContact CD1-CG 4.5Å; L261-L265 WeakPolarHBondContact O-CB 3.3Å; L261-L265 PolarHBondContact O-N 2.74Å; L265-N269 WeakPolarHBondContact O-CB 3.38Å; L265-N269 PolarHBondContact O-N 3.26Å
266	I	92.9	Very high	89.5	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.218	C	C	.	.	I	π-helix	trans	-66.2	-55.2	-167.4	-60	177.3	0	0	0	111.7	F251 L261 T262 K268 N269 F270 F274 C330 L332	F251-I266 HydrophobicContact CB-CG1 4.47Å; F251-I266 HydrophobicContact CD1-CG1 4.48Å; F251-I266 HydrophobicContact CD2-CD1 4.44Å; F251-I266 HydrophobicContact CD2-CG1 3.84Å; F251-I266 HydrophobicContact CE2-CG1 4.17Å; F251-I266 HydrophobicContact CG-CG1 4.01Å; L261-I266 PolarHBondContact O-N 2.89Å; T262-I266 HydrophobicContact CG2-CB 4.29Å; T262-I266 HydrophobicContact CG2-CD1 4.44Å; T262-I266 WeakPolarHBondContact O-CB 3.17Å; T262-I266 PolarHBondContact O-N 3.07Å; I266-K268 VanDerWaalsContact C-N 3.29Å; I266-K268 PolarHBondContact O-N 3Å; I266-N269 PolarHBondContact O-N 2.93Å; I266-F270 HydrophobicContact CG2-CD2 3.81Å; I266-F270 HydrophobicContact CG2-CE2 3.99Å; I266-F270 VanDerWaalsContact O-CD2 3.25Å; I266-F270 WeakPolarHBondContact O-CD2 3.42Å; I266-F270 PolarHBondContact O-N 3.29Å; I266-F274 HydrophobicContact CG2-CD1 4.1Å; I266-F274 HydrophobicContact CG2-CD2 4.43Å; I266-F274 HydrophobicContact CG2-CE1 3.72Å; I266-F274 HydrophobicContact CG2-CE2 4.08Å; I266-F274 HydrophobicContact CG2-CG 4.45Å; I266-F274 HydrophobicContact CG2-CZ 3.71Å; I266-C330 HydrophobicContact CD1-CB 4.27Å; I266-L332 HydrophobicContact CD1-CD2 3.84Å
267	V	92.9	Very high	90.1	Very high	9 Å²	9	36.9 Å²	36.9	6%	0.055	20%	0.2	C	C	.	.	H	α-helix	trans	-60.7	-40.9	-179.4	162.4	0	0	0	0	111.3	T262 S271 Q272 F274 F297 V299	T262-V267 HydrophobicContact CG2-CG2 4.15Å; T262-V267 WeakPolarHBondContact O-CB 3.26Å; T262-V267 WeakPolarHBondContact O-CG2 3.41Å; T262-V267 PolarHBondContact O-N 2.89Å; V267-S271 VanDerWaalsContact O-CA 3.32Å; V267-S271 WeakPolarHBondContact O-CA 3.35Å; V267-S271 PolarHBondContact O-N 2.88Å; V267-Q272 WeakPolarHBondContact CG1-O 3.08Å; V267-Q272 PolarHBondContact O-N 3Å; V267-F274 HydrophobicContact CG2-CB 3.83Å; V267-F274 HydrophobicContact CG2-CD2 3.73Å; V267-F274 HydrophobicContact CG2-CG 4.06Å; V267-F297 HydrophobicContact CG1-CB 3.65Å; V267-V299 HydrophobicContact CB-CG2 4.34Å; V267-V299 HydrophobicContact CG1-CG2 4.47Å; V267-V299 HydrophobicContact CG2-CG2 3.67Å
268	K	89.7	Confident	91	Very high	152 Å²	152	33.6 Å²	33.6	66%	0.661	18%	0.178	S	C	*	.	H	α-helix	trans	-64.5	-43.8	176.6	-174	179.8	176.8	-174.4	0	111.6	I266	I266-K268 VanDerWaalsContact C-N 3.29Å; I266-K268 PolarHBondContact O-N 3Å
269	N	92	Very high	91.5	Very high	77 Å²	77	27.9 Å²	27.9	41%	0.412	15%	0.152	S	C	.	.	H	α-helix	trans	-64	-43.4	179.9	-176	83.1	0	0	0	112.1	F251 L265 I266	F251-N269 HydrophobicContact CE1-CB 3.68Å; F251-N269 HydrophobicContact CZ-CB 3.97Å; L265-N269 WeakPolarHBondContact O-CB 3.38Å; L265-N269 PolarHBondContact O-N 3.26Å; I266-N269 PolarHBondContact O-N 2.93Å
270	F	93.2	Very high	91.5	Very high	22 Å²	22	29.1 Å²	29.1	10%	0.096	16%	0.158	C	C	.	.	H	α-helix	trans	-90.7	-11.6	-177	-65.9	-61.4	0	0	0	114.4	F249 F251 I266 Q272 F274 Y328	F249-F270 HydrophobicContact CB-CZ 4.01Å; F249-F270 HydrophobicContact CD1-CE1 4.01Å; F249-F270 AromaticContact CD1-CZ 3.83Å; F249-F270 HydrophobicContact CD1-CZ 3.83Å; F249-F270 HydrophobicContact CD2-CE1 4.03Å; F249-F270 AromaticContact CD2-CZ 3.69Å; F249-F270 HydrophobicContact CD2-CZ 3.69Å; F249-F270 AromaticContact CE1-CE1 3.88Å; F249-F270 HydrophobicContact CE1-CE1 3.88Å; F249-F270 HydrophobicContact CE1-CZ 4.18Å; F249-F270 AromaticContact CE2-CE1 3.91Å; F249-F270 HydrophobicContact CE2-CE1 3.91Å; F249-F270 HydrophobicContact CE2-CZ 4.06Å; F249-F270 HydrophobicContact CG-CE1 4.09Å; F249-F270 AromaticContact CG-CZ 3.57Å; F249-F270 HydrophobicContact CG-CZ 3.57Å; F249-F270 AromaticContact CZ-CE1 3.83Å; F249-F270 HydrophobicContact CZ-CE1 3.83Å; F249-F270 HydrophobicContact CZ-CZ 4.29Å; F251-F270 AromaticContact CE2-CE2 3.78Å; F251-F270 HydrophobicContact CE2-CE2 3.78Å; F251-F270 HydrophobicContact CE2-CZ 4.13Å; F251-F270 AromaticContact CZ-CE2 3.66Å; F251-F270 HydrophobicContact CZ-CE2 3.66Å; F251-F270 AromaticContact CZ-CZ 3.93Å; F251-F270 HydrophobicContact CZ-CZ 3.93Å; I266-F270 HydrophobicContact CG2-CD2 3.81Å; I266-F270 HydrophobicContact CG2-CE2 3.99Å; I266-F270 VanDerWaalsContact O-CD2 3.25Å; I266-F270 WeakPolarHBondContact O-CD2 3.42Å; I266-F270 PolarHBondContact O-N 3.29Å; F270-Q272 VanDerWaalsContact C-N 3.25Å; F270-Q272 HydrophobicContact CB-CB 4.31Å; F270-Q272 WeakPolarHBondContact O-CG 3.26Å; F270-Q272 PolarHBondContact O-N 2.91Å; F270-F274 HydrophobicContact CB-CE2 4.14Å; F270-F274 HydrophobicContact CD2-CE2 4.11Å; F270-F274 AromaticContact CD2-CZ 3.78Å; F270-F274 HydrophobicContact CD2-CZ 3.78Å; F270-F274 HydrophobicContact CE2-CZ 4.45Å; F270-F274 HydrophobicContact CG-CZ 4.43Å; F270-Y328 HydrophobicContact CB-CD2 4.43Å; F270-Y328 HydrophobicContact CB-CE2 4.23Å; F270-Y328 HydrophobicContact CD1-CD1 4.31Å; F270-Y328 HydrophobicContact CD1-CD2 4.08Å; F270-Y328 AromaticContact CD1-CE1 3.86Å; F270-Y328 HydrophobicContact CD1-CE1 3.86Å; F270-Y328 AromaticContact CD1-CE2 3.57Å; F270-Y328 HydrophobicContact CD1-CE2 3.57Å; F270-Y328 HydrophobicContact CD1-CG 4.41Å; F270-Y328 AromaticContact CD1-CZ 3.45Å; F270-Y328 VanDerWaalsContact CD1-CZ 3.45Å; F270-Y328 HydrophobicContact CD2-CD2 4.46Å; F270-Y328 AromaticContact CE1-CD1 3.89Å; F270-Y328 HydrophobicContact CE1-CD1 3.89Å; F270-Y328 HydrophobicContact CE1-CD2 4.47Å; F270-Y328 AromaticContact CE1-CE1 3.47Å; F270-Y328 HydrophobicContact CE1-CE1 3.47Å; F270-Y328 VanDerWaalsContact CE1-CE1 3.47Å; F270-Y328 HydrophobicContact CE1-CE2 4.08Å; F270-Y328 HydrophobicContact CE1-CG 4.38Å; F270-Y328 AromaticContact CE1-CZ 3.57Å; F270-Y328 HydrophobicContact CE2-CD1 4.48Å; F270-Y328 HydrophobicContact CE2-CG 4.48Å; F270-Y328 HydrophobicContact CG-CD2 4.07Å; F270-Y328 AromaticContact CG-CE2 3.93Å; F270-Y328 HydrophobicContact CG-CE2 3.93Å; F270-Y328 HydrophobicContact CG-CG 4.49Å; F270-Y328 AromaticContact CZ-CD1 3.98Å; F270-Y328 HydrophobicContact CZ-CD1 3.98Å; F270-Y328 HydrophobicContact CZ-CE1 4.01Å; F270-Y328 HydrophobicContact CZ-CG 4.4Å
271	S	93.1	Very high	91.3	Very high	65 Å²	65	33.5 Å²	33.5	46%	0.455	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	51.1	-173.3	-67.8	0	0	0	0	110.8	V267 F297	V267-S271 VanDerWaalsContact O-CA 3.32Å; V267-S271 WeakPolarHBondContact O-CA 3.35Å; V267-S271 PolarHBondContact O-N 2.88Å; S271-F297 VanDerWaalsContact C-CD1 3.43Å; S271-F297 VanDerWaalsContact C-CZ 3.42Å; S271-F297 VanDerWaalsContact O-CD1 3.32Å; S271-F297 WeakPolarHBondContact O-CD1 3.29Å; S271-F297 WeakPolarHBondContact O-CE1 3.5Å; S271-F297 WeakPolarHBondContact O-CZ 3.27Å
272	Q	92.6	Very high	90.9	Very high	56 Å²	56	35 Å²	35	26%	0.262	19%	0.186	S	C	.	.	S	Bend	trans	-143.6	152.7	-176.2	-78.4	-176.8	47.9	0	0	111.7	V267 F270 F274	V267-Q272 WeakPolarHBondContact CG1-O 3.08Å; V267-Q272 PolarHBondContact O-N 3Å; F270-Q272 VanDerWaalsContact C-N 3.25Å; F270-Q272 HydrophobicContact CB-CB 4.31Å; F270-Q272 WeakPolarHBondContact O-CG 3.26Å; F270-Q272 PolarHBondContact O-N 2.91Å; Q272-F274 HydrophobicContact CB-CD2 4.4Å; Q272-F274 HydrophobicContact CB-CE2 3.99Å; Q272-F274 WeakPolarHBondContact O-CD2 3.27Å
273	T	95.2	Very high	90.3	Very high	56 Å²	56	40.1 Å²	40.1	34%	0.344	21%	0.211	S	C	.	.			trans	-75.2	133.9	172.9	-69.3	0	0	0	0	110.1	K298 G325	T273-K298 VanDerWaalsContact CA-O 3.27Å; T273-K298 WeakPolarHBondContact CA-O 3.46Å; T273-K298 HydrophobicContact CG2-CB 3.78Å; T273-K298 WeakPolarHBondContact CG2-O 3.34Å; T273-K298 PolarHBondContact OG1-N 2.81Å; T273-G325 WeakPolarHBondContact O-CA 3.42Å
274	F	95.3	Very high	89.8	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.9	176	-82.8	-110.8	0	0	0	111.5	T262 I266 V267 F270 Q272 K298 V299 Q300 C324 Y328	T262-F274 HydrophobicContact CG2-CB 3.98Å; T262-F274 HydrophobicContact CG2-CG 4.43Å; I266-F274 HydrophobicContact CG2-CD1 4.1Å; I266-F274 HydrophobicContact CG2-CD2 4.43Å; I266-F274 HydrophobicContact CG2-CE1 3.72Å; I266-F274 HydrophobicContact CG2-CE2 4.08Å; I266-F274 HydrophobicContact CG2-CG 4.45Å; I266-F274 HydrophobicContact CG2-CZ 3.71Å; V267-F274 HydrophobicContact CG2-CB 3.83Å; V267-F274 HydrophobicContact CG2-CD2 3.73Å; V267-F274 HydrophobicContact CG2-CG 4.06Å; F270-F274 HydrophobicContact CB-CE2 4.14Å; F270-F274 HydrophobicContact CD2-CE2 4.11Å; F270-F274 AromaticContact CD2-CZ 3.78Å; F270-F274 HydrophobicContact CD2-CZ 3.78Å; F270-F274 HydrophobicContact CE2-CZ 4.45Å; F270-F274 HydrophobicContact CG-CZ 4.43Å; Q272-F274 HydrophobicContact CB-CD2 4.4Å; Q272-F274 HydrophobicContact CB-CE2 3.99Å; Q272-F274 WeakPolarHBondContact O-CD2 3.27Å; F274-K298 PolarHBondContact N-O 3.23Å; F274-V299 WeakPolarHBondContact O-CA 3.45Å; F274-Q300 PolarHBondContact O-N 3.15Å; F274-C324 CarbonylContact C-O 3.3Å; F274-C324 VanDerWaalsContact CA-O 3.25Å; F274-C324 WeakPolarHBondContact CA-O 3.27Å; F274-Y328 HydrophobicContact CZ-CD2 4.23Å; F274-Y328 HydrophobicContact CZ-CG 4.32Å
275	S	95.8	Very high	89.5	Confident	38 Å²	38	53.2 Å²	53.2	27%	0.266	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	141.9	163.1	-64.3	0	0	0	0	109.5	Q300 S323 C324	S275-Q300 CarbonylContact C-O 3.58Å; S275-Q300 VanDerWaalsContact CA-O 3.22Å; S275-Q300 WeakPolarHBondContact CA-O 3.13Å; S275-S323 CarbonylContact O-C 3.55Å; S275-S323 WeakPolarHBondContact O-CA 3.47Å; S275-S323 WeakPolarHBondContact O-CB 3.34Å; S275-C324 PolarHBondContact N-O 2.75Å; S275-C324 PolarHBondContact O-N 2.77Å
276	V	95.4	Very high	89.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	119.9	-176.9	-167.6	0	0	0	0	110.6	T262 V299 Q300 N301 V302 W322 L332 R336	T262-V276 HydrophobicContact CG2-CG2 3.66Å; V276-V299 HydrophobicContact CG2-CG1 3.74Å; V276-Q300 PolarHBondContact N-O 3.29Å; V276-N301 WeakPolarHBondContact O-CA 3.04Å; V276-V302 PolarHBondContact O-N 2.95Å; V276-W322 WeakPolarHBondContact CA-O 3.25Å; V276-L332 HydrophobicContact CG1-CD1 3.67Å; V276-R336 HydrophobicContact CB-CG 4.12Å; V276-R336 HydrophobicContact CG1-CG 3.72Å; V276-R336 HydrophobicContact CG2-CG 4.4Å
277	F	94.2	Very high	88.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.1	170.3	-178.5	-88.4	0	0	0	108.4	G279 V302 V306 H313 P315 D319 F320 S321 W322	F277-G279 VanDerWaalsContact CE1-CA 3.41Å; F277-V302 HydrophobicContact CB-CB 4.3Å; F277-V302 HydrophobicContact CB-CG2 4.28Å; F277-V302 HydrophobicContact CD2-CB 4.27Å; F277-V302 HydrophobicContact CD2-CG1 4.01Å; F277-V306 HydrophobicContact CD2-CG2 4.21Å; F277-V306 HydrophobicContact CE2-CG2 4.49Å; F277-H313 HydrophobicContact CE2-CB 4.08Å; F277-H313 WeakPolarHBondContact CE2-O 3.48Å; F277-H313 HydrophobicContact CZ-CB 3.78Å; F277-P315 HydrophobicContact CD2-CG 3.97Å; F277-P315 HydrophobicContact CE2-CB 4.36Å; F277-P315 HydrophobicContact CE2-CG 3.72Å; F277-P315 HydrophobicContact CZ-CG 4.49Å; F277-D319 HydrophobicContact CE1-CB 4.14Å; F277-F320 WeakPolarHBondContact CD1-O 3.33Å; F277-F320 WeakPolarHBondContact CE1-O 3.31Å; F277-S321 VanDerWaalsContact O-CA 3.3Å; F277-S321 WeakPolarHBondContact O-CA 3.32Å; F277-W322 HydrophobicContact CB-CD2 3.64Å; F277-W322 HydrophobicContact CB-CE3 4.12Å; F277-W322 HydrophobicContact CB-CG 4.12Å; F277-W322 HydrophobicContact CB-CH2 3.93Å; F277-W322 HydrophobicContact CB-CZ2 3.44Å; F277-W322 VanDerWaalsContact CB-CZ2 3.44Å; F277-W322 HydrophobicContact CB-CZ3 4.23Å; F277-W322 AromaticContact CD1-CD1 3.68Å; F277-W322 AromaticContact CD1-CE2 3.97Å; F277-W322 AromaticContact CD1-NE1 3.28Å; F277-W322 VanDerWaalsContact CD1-NE1 3.28Å; F277-W322 HydrophobicContact CD2-CZ2 4.04Å; F277-W322 HydrophobicContact CG-CD2 4.4Å; F277-W322 AromaticContact CG-CE2 3.61Å; F277-W322 AromaticContact CG-CZ2 3.78Å; F277-W322 HydrophobicContact CG-CZ2 3.78Å; F277-W322 AromaticContact CG-NE1 3.42Å; F277-W322 PolarHBondContact N-O 3.25Å; F277-W322 PolarHBondContact O-N 2.86Å
278	T	93.4	Very high	88.6	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.006	33%	0.326	C	S	.	.			trans	-102.4	103.5	172.8	-60.8	0	0	0	0	107.8	P315 Y316 G335 R336 T337	T278-P315 CarbonylContact O-C 3.53Å; T278-P315 VanDerWaalsContact O-CA 3.3Å; T278-P315 WeakPolarHBondContact O-CA 3.34Å; T278-Y316 VanDerWaalsContact CB-CE1 3.49Å; T278-Y316 HydrophobicContact CG2-CD1 3.62Å; T278-Y316 HydrophobicContact CG2-CE1 3.35Å; T278-Y316 PolarHBondContact O-N 2.77Å; T278-G335 WeakPolarHBondContact OG1-CA 2.86Å; T278-R336 PolarHBondContact OG1-N 3.09Å; T278-T337 HydrophobicContact CG2-CG2 4.46Å
279	G	90.8	Very high	88.6	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	30%	0.304	C	S	.	.			trans	-80.5	-20	-176.8	0	0	0	0	0	114	F277 Y316 Q317 N318 D319 S321	F277-G279 VanDerWaalsContact CE1-CA 3.41Å; G279-Y316 CarbonylContact O-C 3.49Å; G279-Q317 PolarHBondContact O-N 2.91Å; G279-Q317 VanDerWaalsContact O-N 3.08Å; G279-N318 PolarHBondContact O-N 2.92Å; G279-D319 CarbonylContact C-O 3.4Å; G279-D319 VanDerWaalsContact C-O 3.3Å; G279-D319 PolarHBondContact O-N 2.66Å; G279-S321 PolarHBondContact N-OG 3.38Å
280	V	82.3	Confident	88.6	Confident	33 Å²	33	61.6 Å²	61.6	20%	0.2	32%	0.316	C	S	.	.	S	Bend	trans	-87.9	138.4	-168	-173.8	0	0	0	0	109.7	Q138 Y316 D319	Q138-V280 HydrophobicContact CG-CG1 4.27Å; Q138-V280 HydrophobicContact CG-CG2 3.79Å; V280-Y316 WeakPolarHBondContact O-CA 3.22Å; V280-Y316 WeakPolarHBondContact O-CD1 3.25Å; V280-D319 WeakPolarHBondContact CG2-O 3.46Å
281	E	83	Confident	88.6	Confident	104 Å²	104	62.8 Å²	62.8	49%	0.486	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-51.8	148.5	168.3	-71.8	-174.5	-179.1	0	0	111.5	Y316 N318	E281-Y316 WeakPolarHBondContact CG-O 3.45Å; E281-N318 VanDerWaalsContact CD-OD1 3.28Å; E281-N318 WeakPolarHBondContact CG-OD1 3.24Å; E281-N318 VanDerWaalsContact OE1-CG 3.3Å; E281-N318 PolarHBondContact OE1-ND2 2.94Å; E281-N318 PolarHBondContact OE1-OD1 3Å
282	I	79.1	Confident	88.6	Confident	48 Å²	48	64.2 Å²	64.2	25%	0.246	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-101.9	126.9	-175.2	-55.9	-180	0	0	0	107.2	D286 K288 Y316 T337	I282-D286 HydrophobicContact CG2-CB 3.55Å; I282-K288 HydrophobicContact CD1-CD 3.57Å; I282-K288 HydrophobicContact CD1-CG 3.53Å; I282-Y316 HydrophobicContact CD1-CD1 3.33Å; I282-Y316 HydrophobicContact CD1-CD2 4.44Å; I282-Y316 HydrophobicContact CD1-CE1 3.45Å; I282-Y316 VanDerWaalsContact CD1-CE1 3.45Å; I282-Y316 HydrophobicContact CD1-CG 3.85Å; I282-Y316 HydrophobicContact CG1-CD1 3.31Å; I282-Y316 HydrophobicContact CG1-CE1 3.81Å; I282-Y316 HydrophobicContact CG1-CG 3.99Å; I282-T337 HydrophobicContact CD1-CG2 4.25Å; I282-T337 HydrophobicContact CG1-CG2 4.01Å; I282-T337 HydrophobicContact CG2-CG2 4.38Å
283	M	79	Confident	88.3	Confident	109 Å²	109	64.9 Å²	64.9	54%	0.537	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-71.3	155	172.9	-58.5	-60.5	-79	0	0	109.8	E285 D286	M283-E285 HydrophobicContact CB-CG 4.25Å; M283-E285 PolarHBondContact O-N 2.89Å; M283-D286 WeakPolarHBondContact CB-OD2 3.3Å; M283-D286 PolarHBondContact N-OD2 2.77Å; M283-D286 WeakPolarHBondContact O-CB 3.42Å; M283-D286 PolarHBondContact O-N 2.62Å
284	K	79.4	Confident	87.6	Confident	212 Å²	212	70.7 Å²	70.7	92%	0.922	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-30	-171.6	-174.4	177.9	176.5	-178.3	0	113.1
285	E	81.3	Confident	86.8	Confident	121 Å²	121	73.9 Å²	73.9	57%	0.565	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-22	179.5	51.9	-88.8	-152.9	0	0	114	M283	M283-E285 HydrophobicContact CB-CG 4.25Å; M283-E285 PolarHBondContact O-N 2.89Å
286	D	81.4	Confident	86.2	Confident	37 Å²	37	75.5 Å²	75.5	20%	0.198	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-72.5	140.6	-174.8	-69.7	-26.2	0	0	0	111.9	I282 M283 S339	I282-D286 HydrophobicContact CG2-CB 3.55Å; M283-D286 WeakPolarHBondContact CB-OD2 3.3Å; M283-D286 PolarHBondContact N-OD2 2.77Å; M283-D286 WeakPolarHBondContact O-CB 3.42Å; M283-D286 PolarHBondContact O-N 2.62Å; D286-S339 WeakPolarHBondContact OD1-CA 3.12Å
287	K	85.2	Confident	86	Confident	153 Å²	153	79.7 Å²	79.7	67%	0.665	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.7	129.2	173.8	-64.5	177.8	-174.2	169.6	0	110.8	L289 T337 V338	K287-L289 PolarHBondContact O-N 2.84Å; K287-T337 WeakPolarHBondContact O-CA 3.47Å; K287-V338 HydrophobicContact CB-CG2 4.01Å; K287-V338 PolarHBondContact N-O 2.78Å; K287-V338 PolarHBondContact O-N 3.4Å
288	K	89.4	Confident	86	Confident	120 Å²	120	84 Å²	84	52%	0.522	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	126.3	169.3	-57.2	-170.4	-153.9	-137.3	0	109.8	I282 Y316	I282-K288 HydrophobicContact CD1-CD 3.57Å; I282-K288 HydrophobicContact CD1-CG 3.53Å; K288-Y316 HydrophobicContact CD-CE1 4.43Å; K288-Y316 HydrophobicContact CD-CE2 4.39Å
289	L	90.6	Very high	86.1	Confident	39 Å²	39	83.9 Å²	83.9	20%	0.204	44%	0.444	C	S	.	.	P	Polyproline II helix	trans	-71.4	136.3	171.3	-64.8	176.5	0	0	0	110	D260 K287 N301 R336 V338	D260-L289 HydrophobicContact CB-CD1 3.84Å; K287-L289 PolarHBondContact O-N 2.84Å; L289-N301 PolarHBondContact O-ND2 3.18Å; L289-R336 HydrophobicContact CB-CB 4.26Å; L289-R336 HydrophobicContact CD1-CB 4.4Å; L289-R336 PolarHBondContact N-O 3.08Å; L289-V338 HydrophobicContact CD1-CG1 4Å; L289-V338 HydrophobicContact CD2-CG1 3.87Å; L289-V338 HydrophobicContact CD2-CG2 3.88Å; L289-V338 HydrophobicContact CG-CG1 4.03Å; L289-V338 HydrophobicContact CG-CG2 4.45Å
290	A	91.3	Very high	86.2	Confident	79 Å²	79	87.4 Å²	87.4	65%	0.653	46%	0.46	S	S	*	.	P	Polyproline II helix	trans	-70.3	165.2	175.5	0	0	0	0	0	112.1	R292 R336	A290-R292 PolarHBondContact O-N 2.96Å; A290-R336 PolarHBondContact O-NH1 3Å; A290-R336 PolarHBondContact O-NH2 3.36Å
291	N	93.2	Very high	86.9	Confident	47 Å²	47	86.9 Å²	86.9	25%	0.251	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-59.7	136.6	168.1	-67.4	-10.6	0	0	0	109.4	V299 N301	N291-V299 CarbonylContact C-O 3.53Å; N291-V299 WeakPolarHBondContact CA-O 3.5Å; N291-N301 WeakPolarHBondContact OD1-CB 3.49Å; N291-N301 PolarHBondContact OD1-N 2.83Å; N291-N301 PolarHBondContact OD1-ND2 3.16Å
292	R	92.3	Very high	87.4	Confident	95 Å²	95	83.2 Å²	83.2	36%	0.358	44%	0.441	S	S	.	.	B	Isolated β-bridge	trans	-95.5	96.8	169.6	-171	179.7	-70.3	-176.5	-0.7	107.8	G263 D264 A290 K298 V299	G263-R292 PolarHBondContact O-NH1 2.93Å; D264-R292 IonicContact OD1-CZ 2.82Å; D264-R292 VanDerWaalsContact OD1-CZ 3.24Å; D264-R292 IonicContact OD1-NH1 3.49Å; D264-R292 PolarHBondContact OD1-NH1 2.92Å; D264-R292 IonicContact OD1-NH2 3.5Å; D264-R292 PolarHBondContact OD1-NH2 2.93Å; D264-R292 IonicContact OD2-NH2 2.75Å; A290-R292 PolarHBondContact O-N 2.96Å; R292-K298 CarbonylContact O-C 3.56Å; R292-K298 WeakPolarHBondContact O-CA 3.35Å; R292-K298 WeakPolarHBondContact O-CB 3.36Å; R292-V299 HydrophobicContact CB-CB 4.08Å; R292-V299 HydrophobicContact CB-CG2 4.21Å; R292-V299 PolarHBondContact N-O 2.84Å; R292-V299 PolarHBondContact O-N 3.11Å
293	C	86.8	Confident	88	Confident	71 Å²	71	89.6 Å²	89.6	48%	0.48	46%	0.462	S	S	.	.			trans	-100.8	-6.4	-177.8	-61.5	0	0	0	0	113.9
294	Q	80	Confident	88.7	Confident	178 Å²	178	90.6 Å²	90.6	83%	0.832	47%	0.47	S	S	*	.	S	Bend	trans	-96.4	145.3	179.5	-63.8	-177.6	-6.4	0	0	110.6
295	G	78.1	Confident	89.4	Confident	67 Å²	67	83.1 Å²	83.1	69%	0.691	44%	0.444	S	S	*	.	S	Bend	trans	98.2	178.2	-174.1	0	0	0	0	0	113.2	F297	G295-F297 VanDerWaalsContact C-N 3.32Å; G295-F297 PolarHBondContact O-N 2.91Å
296	G	83.9	Confident	89.9	Confident	72 Å²	72	79.3 Å²	79.3	74%	0.742	43%	0.429	S	S	*	.	S	Bend	trans	-68.7	-27.1	-177.4	0	0	0	0	0	114.3
297	F	91.8	Very high	90.3	Very high	88 Å²	88	85.8 Å²	85.8	39%	0.386	45%	0.451	S	S	.	.	S	Bend	trans	-130.3	140.5	-178.9	-53.2	-62.8	0	0	0	110.7	V267 S271 G295	V267-F297 HydrophobicContact CG1-CB 3.65Å; S271-F297 VanDerWaalsContact C-CD1 3.43Å; S271-F297 VanDerWaalsContact C-CZ 3.42Å; S271-F297 VanDerWaalsContact O-CD1 3.32Å; S271-F297 WeakPolarHBondContact O-CD1 3.29Å; S271-F297 WeakPolarHBondContact O-CE1 3.5Å; S271-F297 WeakPolarHBondContact O-CZ 3.27Å; G295-F297 VanDerWaalsContact C-N 3.32Å; G295-F297 PolarHBondContact O-N 2.91Å
298	K	93.5	Very high	90	Very high	89 Å²	89	81.5 Å²	81.5	39%	0.387	44%	0.437	S	S	.	.			trans	-104.9	155.8	-171.7	-56.6	174.4	-176.7	172.3	0	111.5	T273 F274 R292 Q300	T273-K298 VanDerWaalsContact CA-O 3.27Å; T273-K298 WeakPolarHBondContact CA-O 3.46Å; T273-K298 HydrophobicContact CG2-CB 3.78Å; T273-K298 WeakPolarHBondContact CG2-O 3.34Å; T273-K298 PolarHBondContact OG1-N 2.81Å; F274-K298 PolarHBondContact N-O 3.23Å; R292-K298 CarbonylContact O-C 3.56Å; R292-K298 WeakPolarHBondContact O-CA 3.35Å; R292-K298 WeakPolarHBondContact O-CB 3.36Å; K298-Q300 HydrophobicContact CB-CG 4.38Å
299	V	94.7	Very high	89.7	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	115.8	164.9	-166.3	0	0	0	0	108.2	T262 V267 F274 V276 N291 R292	T262-V299 HydrophobicContact CG2-CG1 4.15Å; V267-V299 HydrophobicContact CB-CG2 4.34Å; V267-V299 HydrophobicContact CG1-CG2 4.47Å; V267-V299 HydrophobicContact CG2-CG2 3.67Å; F274-V299 WeakPolarHBondContact O-CA 3.45Å; V276-V299 HydrophobicContact CG2-CG1 3.74Å; N291-V299 CarbonylContact C-O 3.53Å; N291-V299 WeakPolarHBondContact CA-O 3.5Å; R292-V299 HydrophobicContact CB-CB 4.08Å; R292-V299 HydrophobicContact CB-CG2 4.21Å; R292-V299 PolarHBondContact N-O 2.84Å; R292-V299 PolarHBondContact O-N 3.11Å
300	Q	94.9	Very high	89.6	Confident	73 Å²	73	85.9 Å²	85.9	34%	0.341	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129	-175.3	-64.6	179.6	-38.8	0	0	109.6	F274 S275 V276 K298	F274-Q300 PolarHBondContact O-N 3.15Å; S275-Q300 CarbonylContact C-O 3.58Å; S275-Q300 VanDerWaalsContact CA-O 3.22Å; S275-Q300 WeakPolarHBondContact CA-O 3.13Å; V276-Q300 PolarHBondContact N-O 3.29Å; K298-Q300 HydrophobicContact CB-CG 4.38Å
301	N	95.2	Very high	89.5	Confident	23 Å²	23	83.9 Å²	83.9	12%	0.123	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	131.4	170.2	-63.1	-28	0	0	0	109	V276 L289 N291 R303 R336	V276-N301 WeakPolarHBondContact O-CA 3.04Å; L289-N301 PolarHBondContact O-ND2 3.18Å; N291-N301 WeakPolarHBondContact OD1-CB 3.49Å; N291-N301 PolarHBondContact OD1-N 2.83Å; N291-N301 PolarHBondContact OD1-ND2 3.16Å; N301-R303 PolarHBondContact O-N 2.77Å; N301-R336 WeakPolarHBondContact OD1-CD 3.19Å; N301-R336 PolarHBondContact OD1-NH1 2.85Å
302	V	94.5	Very high	89.5	Confident	27 Å²	27	87.1 Å²	87.1	16%	0.164	45%	0.446	C	S	.	.			trans	-67.2	125.6	163.1	-179.7	0	0	0	0	107.4	V276 F277 D304 V306 P315 W322	V276-V302 PolarHBondContact O-N 2.95Å; F277-V302 HydrophobicContact CB-CB 4.3Å; F277-V302 HydrophobicContact CB-CG2 4.28Å; F277-V302 HydrophobicContact CD2-CB 4.27Å; F277-V302 HydrophobicContact CD2-CG1 4.01Å; V302-D304 WeakPolarHBondContact CG1-O 3.46Å; V302-V306 HydrophobicContact CG1-CG2 3.56Å; V302-P315 HydrophobicContact CG1-CG 4.49Å; V302-W322 HydrophobicContact CG2-CH2 4.46Å
303	R	92.2	Very high	89.4	Confident	182 Å²	182	82.8 Å²	82.8	69%	0.687	43%	0.43	S	S	*	.			trans	-109.6	-36.1	-177.3	-66.1	-176.9	-179.3	175.9	-1.6	112.4	N301	N301-R303 PolarHBondContact O-N 2.77Å
304	D	93.8	Very high	89.8	Confident	129 Å²	129	81.1 Å²	81.1	69%	0.69	42%	0.417	S	S	*	.	S	Bend	trans	-89.9	161.9	-179	-52.8	-52.7	0	0	0	110.7	V302	V302-D304 WeakPolarHBondContact CG1-O 3.46Å
305	S	94.4	Very high	90.3	Very high	55 Å²	55	73.1 Å²	73.1	39%	0.385	38%	0.381	S	S	.	.			trans	-59.2	140.9	172.5	-54.1	0	0	0	0	111.2	E312 H313 T314	S305-E312 WeakPolarHBondContact CB-OE1 3.37Å; S305-E312 PolarHBondContact OG-OE1 2.85Å; S305-H313 CarbonylContact C-O 3.52Å; S305-H313 VanDerWaalsContact CA-O 3.29Å; S305-H313 WeakPolarHBondContact CA-O 3.27Å; S305-T314 PolarHBondContact OG-OG1 2.81Å
306	V	91.1	Very high	90.9	Very high	42 Å²	42	72.2 Å²	72.2	26%	0.255	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	138.3	173.2	-174.5	0	0	0	0	108.4	F277 V302 H313 W322	F277-V306 HydrophobicContact CD2-CG2 4.21Å; F277-V306 HydrophobicContact CE2-CG2 4.49Å; V302-V306 HydrophobicContact CG1-CG2 3.56Å; V306-H313 PolarHBondContact N-O 3.49Å; V306-H313 WeakPolarHBondContact O-CB 3.26Å; V306-H313 PolarHBondContact O-N 2.74Å; V306-W322 HydrophobicContact CG1-CZ2 4.43Å; V306-W322 HydrophobicContact CG2-CZ2 4.34Å
307	R	88.6	Confident	91.2	Very high	173 Å²	173	73.6 Å²	73.6	65%	0.653	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	123.4	174.8	-166.6	177.5	-77.8	143	-0.8	110.2	E309 Y311	R307-E309 WeakPolarHBondContact CD-O 3.11Å; R307-E309 VanDerWaalsContact CG-O 3.31Å; R307-E309 WeakPolarHBondContact CG-O 3.36Å; R307-Y311 CarbonylContact C-O 3.55Å; R307-Y311 VanDerWaalsContact CA-O 3.31Å; R307-Y311 WeakPolarHBondContact CA-O 3.31Å; R307-Y311 WeakPolarHBondContact CG-O 3.29Å
308	V	80.2	Confident	90.7	Very high	63 Å²	63	72.7 Å²	72.7	38%	0.382	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.3	167.7	-179.5	0	0	0	0	106.6	F72 K310 Y311	F72-V308 HydrophobicContact CD1-CG1 4.29Å; F72-V308 HydrophobicContact CE1-CB 4.43Å; F72-V308 HydrophobicContact CE1-CG1 4.11Å; V308-K310 PolarHBondContact O-N 3.23Å; V308-K310 VanDerWaalsContact O-N 3.15Å; V308-Y311 PolarHBondContact N-O 3.44Å; V308-Y311 WeakPolarHBondContact O-CB 3.36Å; V308-Y311 PolarHBondContact O-N 3.18Å
309	E	81.8	Confident	90.5	Very high	105 Å²	105	69.2 Å²	69.2	49%	0.491	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	-113.7	-171.1	-64.5	-69.3	170.3	0	0	111.6	I81 K93 R307 Y311	I81-E309 HydrophobicContact CD1-CG 4.4Å; K93-E309 WeakPolarHBondContact CE-OE1 3.35Å; K93-E309 IonicContact NZ-OE1 2.77Å; K93-E309 PolarHBondContact NZ-OE1 3.17Å; K93-E309 IonicContact NZ-OE2 3.24Å; K93-E309 PolarHBondContact NZ-OE2 3.22Å; R307-E309 WeakPolarHBondContact CD-O 3.11Å; R307-E309 VanDerWaalsContact CG-O 3.31Å; R307-E309 WeakPolarHBondContact CG-O 3.36Å; E309-Y311 HydrophobicContact CB-CD2 4.3Å
310	K	89.4	Confident	90.3	Very high	145 Å²	145	69.9 Å²	69.9	63%	0.63	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	-6.1	173.7	63.2	171.7	-176.7	163.7	0	112.8	V308	V308-K310 PolarHBondContact O-N 3.23Å; V308-K310 VanDerWaalsContact O-N 3.15Å
311	Y	89.8	Confident	90.2	Very high	37 Å²	37	66.5 Å²	66.5	15%	0.145	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	126.8	-172.2	-52.9	-71.4	0	0	0	110.3	F72 P74 E77 I81 R307 V308 E309 H313	F72-Y311 HydrophobicContact CE1-CD2 4.19Å; P74-Y311 HydrophobicContact CB-CD1 3.53Å; P74-Y311 HydrophobicContact CB-CD2 3.81Å; P74-Y311 HydrophobicContact CB-CE1 3.7Å; P74-Y311 HydrophobicContact CB-CE2 3.96Å; P74-Y311 HydrophobicContact CB-CG 3.58Å; P74-Y311 HydrophobicContact CG-CD1 4.15Å; P74-Y311 HydrophobicContact CG-CD2 3.68Å; P74-Y311 HydrophobicContact CG-CE1 3.96Å; P74-Y311 HydrophobicContact CG-CE2 3.45Å; P74-Y311 VanDerWaalsContact CG-CE2 3.45Å; P74-Y311 HydrophobicContact CG-CG 4.01Å; E77-Y311 HydrophobicContact CG-CD1 4.4Å; E77-Y311 HydrophobicContact CG-CE1 3.66Å; I81-Y311 HydrophobicContact CD1-CD2 4.14Å; I81-Y311 HydrophobicContact CD1-CE2 3.69Å; R307-Y311 CarbonylContact C-O 3.55Å; R307-Y311 VanDerWaalsContact CA-O 3.31Å; R307-Y311 WeakPolarHBondContact CA-O 3.31Å; R307-Y311 WeakPolarHBondContact CG-O 3.29Å; V308-Y311 PolarHBondContact N-O 3.44Å; V308-Y311 WeakPolarHBondContact O-CB 3.36Å; V308-Y311 PolarHBondContact O-N 3.18Å; E309-Y311 HydrophobicContact CB-CD2 4.3Å; Y311-H313 PolarHBondContact O-CD2 2.75Å
312	E	93.1	Very high	90.1	Very high	115 Å²	115	66.9 Å²	66.9	54%	0.537	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	133.3	177.3	-173.7	172.1	-171.4	0	0	110.3	S305	S305-E312 WeakPolarHBondContact CB-OE1 3.37Å; S305-E312 PolarHBondContact OG-OE1 2.85Å
313	H	90.5	Very high	90	Very high	5 Å²	5	65.6 Å²	65.6	2%	0.023	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114.9	-178.9	-65.2	-86.7	0	0	0	108.4	F72 F277 S305 V306 Y311 D319	F72-H313 AromaticContact CE1-NE2 3.94Å; F72-H313 AromaticContact CE2-CE1 3.59Å; F72-H313 AromaticContact CZ-CE1 3.23Å; F72-H313 WeakPolarHBondContact CZ-CE1 3.47Å; F72-H313 AromaticContact CZ-NE2 3.28Å; F72-H313 VanDerWaalsContact CZ-NE2 3.28Å; F72-H313 WeakPolarHBondContact CZ-NE2 3.41Å; F277-H313 HydrophobicContact CE2-CB 4.08Å; F277-H313 WeakPolarHBondContact CE2-O 3.48Å; F277-H313 HydrophobicContact CZ-CB 3.78Å; S305-H313 CarbonylContact C-O 3.52Å; S305-H313 VanDerWaalsContact CA-O 3.29Å; S305-H313 WeakPolarHBondContact CA-O 3.27Å; V306-H313 PolarHBondContact N-O 3.49Å; V306-H313 WeakPolarHBondContact O-CB 3.26Å; V306-H313 PolarHBondContact O-N 2.74Å; Y311-H313 PolarHBondContact O-CD2 2.75Å; H313-D319 IonicContact CE1-OD2 3.11Å; H313-D319 IonicContact CG-OD2 3.26Å; H313-D319 IonicContact ND1-OD1 2.66Å; H313-D319 IonicContact ND1-OD2 3.92Å; H313-D319 PolarHBondContact ND1-OD2 3.04Å
314	T	93.6	Very high	90.1	Very high	36 Å²	36	59.2 Å²	59.2	22%	0.221	29%	0.291	C	S	.	.			trans	-107	131.6	179.9	-54.3	0	0	0	0	109	S305 Y316 Q317	S305-T314 PolarHBondContact OG-OG1 2.81Å; T314-Y316 PolarHBondContact O-N 2.82Å; T314-Q317 HydrophobicContact CG2-CG 4.12Å
315	P	92.3	Very high	89.9	Confident	10 Å²	10	53.3 Å²	53.3	7%	0.065	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	141.7	176.9	-26.1	34.7	0	0	0	112.1	F277 T278 V302	F277-P315 HydrophobicContact CD2-CG 3.97Å; F277-P315 HydrophobicContact CE2-CB 4.36Å; F277-P315 HydrophobicContact CE2-CG 3.72Å; F277-P315 HydrophobicContact CZ-CG 4.49Å; T278-P315 CarbonylContact O-C 3.53Å; T278-P315 VanDerWaalsContact O-CA 3.3Å; T278-P315 WeakPolarHBondContact O-CA 3.34Å; V302-P315 HydrophobicContact CG1-CG 4.49Å
316	Y	90.7	Very high	89.6	Confident	48 Å²	48	54.4 Å²	54.4	19%	0.188	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.5	32.7	176.4	-38.1	-75.7	0	0	0	115.1	T278 G279 V280 E281 I282 K288 T314	T278-Y316 VanDerWaalsContact CB-CE1 3.49Å; T278-Y316 HydrophobicContact CG2-CD1 3.62Å; T278-Y316 HydrophobicContact CG2-CE1 3.35Å; T278-Y316 PolarHBondContact O-N 2.77Å; G279-Y316 CarbonylContact O-C 3.49Å; V280-Y316 WeakPolarHBondContact O-CA 3.22Å; V280-Y316 WeakPolarHBondContact O-CD1 3.25Å; E281-Y316 WeakPolarHBondContact CG-O 3.45Å; I282-Y316 HydrophobicContact CD1-CD1 3.33Å; I282-Y316 HydrophobicContact CD1-CD2 4.44Å; I282-Y316 HydrophobicContact CD1-CE1 3.45Å; I282-Y316 VanDerWaalsContact CD1-CE1 3.45Å; I282-Y316 HydrophobicContact CD1-CG 3.85Å; I282-Y316 HydrophobicContact CG1-CD1 3.31Å; I282-Y316 HydrophobicContact CG1-CE1 3.81Å; I282-Y316 HydrophobicContact CG1-CG 3.99Å; K288-Y316 HydrophobicContact CD-CE1 4.43Å; K288-Y316 HydrophobicContact CD-CE2 4.39Å; T314-Y316 PolarHBondContact O-N 2.82Å
317	Q	89.3	Confident	89.4	Confident	100 Å²	100	60.3 Å²	60.3	47%	0.467	31%	0.305	S	S	.	.	S	Bend	trans	-131.8	58.5	-176.8	-64.6	-168	-1.2	0	0	113.6	G279 T314	G279-Q317 PolarHBondContact O-N 2.91Å; G279-Q317 VanDerWaalsContact O-N 3.08Å; T314-Q317 HydrophobicContact CG2-CG 4.12Å
318	N	82.1	Confident	89.6	Confident	70 Å²	70	55.1 Å²	55.1	37%	0.374	29%	0.286	S	S	.	.	S	Bend	trans	55.8	54.9	176.5	-64.7	-39.6	0	0	0	113.5	S175 A176 G279 E281	S175-N318 WeakPolarHBondContact CB-O 3.39Å; A176-N318 PolarHBondContact N-O 3.02Å; G279-N318 PolarHBondContact O-N 2.92Å; E281-N318 VanDerWaalsContact CD-OD1 3.28Å; E281-N318 WeakPolarHBondContact CG-OD1 3.24Å; E281-N318 VanDerWaalsContact OE1-CG 3.3Å; E281-N318 PolarHBondContact OE1-ND2 2.94Å; E281-N318 PolarHBondContact OE1-OD1 3Å
319	D	89	Confident	90.2	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.08	29%	0.288	C	S	.	.			trans	-131.3	178.9	-179.4	-151.8	-33.7	0	0	0	110.3	A176 F277 G279 V280 H313	A176-D319 WeakPolarHBondContact CB-OD1 3.26Å; F277-D319 HydrophobicContact CE1-CB 4.14Å; G279-D319 CarbonylContact C-O 3.4Å; G279-D319 VanDerWaalsContact C-O 3.3Å; G279-D319 PolarHBondContact O-N 2.66Å; V280-D319 WeakPolarHBondContact CG2-O 3.46Å; H313-D319 IonicContact CE1-OD2 3.11Å; H313-D319 IonicContact CG-OD2 3.26Å; H313-D319 IonicContact ND1-OD1 2.66Å; H313-D319 IonicContact ND1-OD2 3.92Å; H313-D319 PolarHBondContact ND1-OD2 3.04Å
320	F	90.5	Very high	90.8	Very high	15 Å²	15	52.5 Å²	52.5	7%	0.066	27%	0.27	C	S	.	.			trans	-91.8	152.4	174.8	59	-83.8	0	0	0	112.2	F72 T156 A176 L178 F277 W322 L331	F72-F320 AromaticContact CD2-CE1 3.76Å; F72-F320 HydrophobicContact CD2-CE1 3.76Å; F72-F320 AromaticContact CD2-CZ 3.99Å; F72-F320 HydrophobicContact CD2-CZ 3.99Å; F72-F320 AromaticContact CE2-CE1 3.69Å; F72-F320 HydrophobicContact CE2-CE1 3.69Å; F72-F320 HydrophobicContact CE2-CZ 4.16Å; T156-F320 HydrophobicContact CG2-CB 3.72Å; A176-F320 HydrophobicContact CB-CD1 4.28Å; A176-F320 HydrophobicContact CB-CE1 4.25Å; L178-F320 HydrophobicContact CB-CD1 4.28Å; L178-F320 HydrophobicContact CB-CD2 3.99Å; L178-F320 HydrophobicContact CB-CE1 4.33Å; L178-F320 HydrophobicContact CB-CE2 4.03Å; L178-F320 HydrophobicContact CB-CG 4.13Å; L178-F320 HydrophobicContact CB-CZ 4.21Å; L178-F320 HydrophobicContact CD1-CE2 4.2Å; L178-F320 HydrophobicContact CD1-CZ 4.07Å; L178-F320 HydrophobicContact CD2-CD2 4.45Å; L178-F320 HydrophobicContact CD2-CE2 4.16Å; L178-F320 HydrophobicContact CG-CE2 4.37Å; F277-F320 WeakPolarHBondContact CD1-O 3.33Å; F277-F320 WeakPolarHBondContact CE1-O 3.31Å; F320-W322 HydrophobicContact CD2-CB 4.45Å; F320-W322 AromaticContact CD2-CD1 3.71Å; F320-W322 HydrophobicContact CD2-CG 4.46Å; F320-W322 HydrophobicContact CE2-CB 4.45Å; F320-W322 AromaticContact CE2-CD1 3.44Å; F320-W322 VanDerWaalsContact CE2-CD1 3.44Å; F320-W322 HydrophobicContact CE2-CG 4.2Å; F320-L331 HydrophobicContact CB-CD1 4.45Å; F320-L331 HydrophobicContact CD2-CD1 4.02Å
321	S	92.1	Very high	90.9	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.007	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	138.6	176.5	-60.4	0	0	0	0	111.1	F277 G279 L332 G335	F277-S321 VanDerWaalsContact O-CA 3.3Å; F277-S321 WeakPolarHBondContact O-CA 3.32Å; G279-S321 PolarHBondContact N-OG 3.38Å; S321-L332 PolarHBondContact O-N 2.83Å; S321-G335 WeakPolarHBondContact OG-CA 3.32Å; S321-G335 PolarHBondContact OG-N 3.19Å
322	W	93	Very high	90.9	Very high	31 Å²	31	44.9 Å²	44.9	12%	0.117	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	159.3	179.3	56.9	-94.5	0	0	0	111.4	V276 F277 V302 V306 F320 C324 F329 C330	V276-W322 WeakPolarHBondContact CA-O 3.25Å; F277-W322 HydrophobicContact CB-CD2 3.64Å; F277-W322 HydrophobicContact CB-CE3 4.12Å; F277-W322 HydrophobicContact CB-CG 4.12Å; F277-W322 HydrophobicContact CB-CH2 3.93Å; F277-W322 HydrophobicContact CB-CZ2 3.44Å; F277-W322 VanDerWaalsContact CB-CZ2 3.44Å; F277-W322 HydrophobicContact CB-CZ3 4.23Å; F277-W322 AromaticContact CD1-CD1 3.68Å; F277-W322 AromaticContact CD1-CE2 3.97Å; F277-W322 AromaticContact CD1-NE1 3.28Å; F277-W322 VanDerWaalsContact CD1-NE1 3.28Å; F277-W322 HydrophobicContact CD2-CZ2 4.04Å; F277-W322 HydrophobicContact CG-CD2 4.4Å; F277-W322 AromaticContact CG-CE2 3.61Å; F277-W322 AromaticContact CG-CZ2 3.78Å; F277-W322 HydrophobicContact CG-CZ2 3.78Å; F277-W322 AromaticContact CG-NE1 3.42Å; F277-W322 PolarHBondContact N-O 3.25Å; F277-W322 PolarHBondContact O-N 2.86Å; V302-W322 HydrophobicContact CG2-CH2 4.46Å; V306-W322 HydrophobicContact CG1-CZ2 4.43Å; V306-W322 HydrophobicContact CG2-CZ2 4.34Å; F320-W322 HydrophobicContact CD2-CB 4.45Å; F320-W322 AromaticContact CD2-CD1 3.71Å; F320-W322 HydrophobicContact CD2-CG 4.46Å; F320-W322 HydrophobicContact CE2-CB 4.45Å; F320-W322 AromaticContact CE2-CD1 3.44Å; F320-W322 VanDerWaalsContact CE2-CD1 3.44Å; F320-W322 HydrophobicContact CE2-CG 4.2Å; W322-C324 HydrophobicContact CE3-CB 4.38Å; W322-C324 HydrophobicContact CZ3-CB 4.16Å; W322-F329 HydrophobicContact CB-CE2 3.75Å; W322-F329 HydrophobicContact CB-CZ 3.83Å; W322-F329 HydrophobicContact CD2-CE2 4.14Å; W322-F329 HydrophobicContact CE3-CE2 4.25Å; W322-F329 AromaticContact CG-CE2 3.96Å; W322-F329 HydrophobicContact CG-CE2 3.96Å; W322-F329 HydrophobicContact CG-CZ 4.33Å; W322-C330 CarbonylContact C-O 3.43Å; W322-C330 WeakPolarHBondContact CA-O 3.41Å; W322-C330 WeakPolarHBondContact CB-O 3.22Å
323	S	93.7	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	146.2	169.5	64.4	0	0	0	0	111.7	S275 C330	S275-S323 CarbonylContact O-C 3.55Å; S275-S323 WeakPolarHBondContact O-CA 3.47Å; S275-S323 WeakPolarHBondContact O-CB 3.34Å; S323-C330 PolarHBondContact N-O 3.46Å; S323-C330 PolarHBondContact O-N 2.85Å; S323-C330 WeakPolarHBondContact OG-CB 3.49Å
324	C	93.7	Very high	89.8	Confident	48 Å²	48	44.2 Å²	44.2	32%	0.324	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	149.5	174	72.2	0	0	0	0	111.9	F274 S275 W322 Y328	F274-C324 CarbonylContact C-O 3.3Å; F274-C324 VanDerWaalsContact CA-O 3.25Å; F274-C324 WeakPolarHBondContact CA-O 3.27Å; S275-C324 PolarHBondContact N-O 2.75Å; S275-C324 PolarHBondContact O-N 2.77Å; W322-C324 HydrophobicContact CE3-CB 4.38Å; W322-C324 HydrophobicContact CZ3-CB 4.16Å; C324-Y328 VanDerWaalsContact CA-O 3.24Å; C324-Y328 WeakPolarHBondContact CA-O 3.39Å
325	G	89.1	Confident	89.3	Confident	6 Å²	6	42.8 Å²	42.8	6%	0.062	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	121.9	-179.8	0	0	0	0	0	110.4	T273 Q327 Y328	T273-G325 WeakPolarHBondContact O-CA 3.42Å; G325-Q327 PolarHBondContact O-N 3.47Å; G325-Q327 VanDerWaalsContact O-N 3.09Å; G325-Y328 PolarHBondContact N-O 3.48Å; G325-Y328 WeakPolarHBondContact O-CB 3.21Å; G325-Y328 PolarHBondContact O-N 3.38Å
326	G	88.2	Confident	89.2	Confident	78 Å²	78	42.6 Å²	42.6	80%	0.804	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.1	-114.3	-173.8	0	0	0	0	0	111.7
327	Q	87.6	Confident	88.9	Confident	166 Å²	166	41.3 Å²	41.3	78%	0.776	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.8	5.3	178.8	66.3	-169.1	-49.6	0	0	113.7	G325	G325-Q327 PolarHBondContact O-N 3.47Å; G325-Q327 VanDerWaalsContact O-N 3.09Å
328	Y	93	Very high	88.3	Confident	63 Å²	63	37.7 Å²	37.7	25%	0.247	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136	-176.1	-58.7	-73.9	0	0	0	111.2	F249 F270 F274 C324 G325	F249-Y328 HydrophobicContact CE2-CE1 4.02Å; F270-Y328 HydrophobicContact CB-CD2 4.43Å; F270-Y328 HydrophobicContact CB-CE2 4.23Å; F270-Y328 HydrophobicContact CD1-CD1 4.31Å; F270-Y328 HydrophobicContact CD1-CD2 4.08Å; F270-Y328 AromaticContact CD1-CE1 3.86Å; F270-Y328 HydrophobicContact CD1-CE1 3.86Å; F270-Y328 AromaticContact CD1-CE2 3.57Å; F270-Y328 HydrophobicContact CD1-CE2 3.57Å; F270-Y328 HydrophobicContact CD1-CG 4.41Å; F270-Y328 AromaticContact CD1-CZ 3.45Å; F270-Y328 VanDerWaalsContact CD1-CZ 3.45Å; F270-Y328 HydrophobicContact CD2-CD2 4.46Å; F270-Y328 AromaticContact CE1-CD1 3.89Å; F270-Y328 HydrophobicContact CE1-CD1 3.89Å; F270-Y328 HydrophobicContact CE1-CD2 4.47Å; F270-Y328 AromaticContact CE1-CE1 3.47Å; F270-Y328 HydrophobicContact CE1-CE1 3.47Å; F270-Y328 VanDerWaalsContact CE1-CE1 3.47Å; F270-Y328 HydrophobicContact CE1-CE2 4.08Å; F270-Y328 HydrophobicContact CE1-CG 4.38Å; F270-Y328 AromaticContact CE1-CZ 3.57Å; F270-Y328 HydrophobicContact CE2-CD1 4.48Å; F270-Y328 HydrophobicContact CE2-CG 4.48Å; F270-Y328 HydrophobicContact CG-CD2 4.07Å; F270-Y328 AromaticContact CG-CE2 3.93Å; F270-Y328 HydrophobicContact CG-CE2 3.93Å; F270-Y328 HydrophobicContact CG-CG 4.49Å; F270-Y328 AromaticContact CZ-CD1 3.98Å; F270-Y328 HydrophobicContact CZ-CD1 3.98Å; F270-Y328 HydrophobicContact CZ-CE1 4.01Å; F270-Y328 HydrophobicContact CZ-CG 4.4Å; F274-Y328 HydrophobicContact CZ-CD2 4.23Å; F274-Y328 HydrophobicContact CZ-CG 4.32Å; C324-Y328 VanDerWaalsContact CA-O 3.24Å; C324-Y328 WeakPolarHBondContact CA-O 3.39Å; G325-Y328 PolarHBondContact N-O 3.48Å; G325-Y328 WeakPolarHBondContact O-CB 3.21Å; G325-Y328 PolarHBondContact O-N 3.38Å
329	F	92	Very high	87.6	Confident	94 Å²	94	40 Å²	40	41%	0.412	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.4	167.4	173.9	-92.6	0	0	0	108.4	L178 W322	L178-F329 HydrophobicContact CD2-CE1 3.72Å; L178-F329 HydrophobicContact CD2-CZ 3.84Å; W322-F329 HydrophobicContact CB-CE2 3.75Å; W322-F329 HydrophobicContact CB-CZ 3.83Å; W322-F329 HydrophobicContact CD2-CE2 4.14Å; W322-F329 HydrophobicContact CE3-CE2 4.25Å; W322-F329 AromaticContact CG-CE2 3.96Å; W322-F329 HydrophobicContact CG-CE2 3.96Å; W322-F329 HydrophobicContact CG-CZ 4.33Å
330	C	93.3	Very high	87.6	Confident	19 Å²	19	41.2 Å²	41.2	13%	0.128	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	124.8	177.2	-51	0	0	0	0	109.4	I266 W322 S323 L332	I266-C330 HydrophobicContact CD1-CB 4.27Å; W322-C330 CarbonylContact C-O 3.43Å; W322-C330 WeakPolarHBondContact CA-O 3.41Å; W322-C330 WeakPolarHBondContact CB-O 3.22Å; S323-C330 PolarHBondContact N-O 3.46Å; S323-C330 PolarHBondContact O-N 2.85Å; S323-C330 WeakPolarHBondContact OG-CB 3.49Å; C330-L332 HydrophobicContact CB-CD2 4.11Å
331	L	92.9	Very high	87.4	Confident	19 Å²	19	42.6 Å²	42.6	10%	0.099	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.3	159.7	177.9	61.6	0	0	0	108.4	T154 T156 L178 I180 F320	T154-L331 HydrophobicContact CG2-CD2 4.38Å; T156-L331 HydrophobicContact CG2-CD1 3.81Å; T156-L331 HydrophobicContact CG2-CD2 4.36Å; L178-L331 HydrophobicContact CB-CD1 4.15Å; L178-L331 HydrophobicContact CD2-CB 4.13Å; L178-L331 HydrophobicContact CD2-CD1 3.81Å; L178-L331 HydrophobicContact CD2-CD2 4.19Å; L178-L331 HydrophobicContact CD2-CG 4.26Å; I180-L331 HydrophobicContact CD1-CB 3.84Å; I180-L331 HydrophobicContact CD1-CD2 4.16Å; I180-L331 HydrophobicContact CG1-CD2 4.33Å; F320-L331 HydrophobicContact CB-CD1 4.45Å; F320-L331 HydrophobicContact CD2-CD1 4.02Å
332	L	89.8	Confident	87.2	Confident	4 Å²	4	44.9 Å²	44.9	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.7	-178	-54.3	175.9	0	0	0	110.5	I266 V276 S321 C330 Q334	I266-L332 HydrophobicContact CD1-CD2 3.84Å; V276-L332 HydrophobicContact CG1-CD1 3.67Å; S321-L332 PolarHBondContact O-N 2.83Å; C330-L332 HydrophobicContact CB-CD2 4.11Å; L332-Q334 VanDerWaalsContact CB-O 3.29Å; L332-Q334 WeakPolarHBondContact CB-O 3.03Å; L332-Q334 PolarHBondContact O-N 3.01Å
333	S	81	Confident	86.8	Confident	46 Å²	46	45.7 Å²	45.7	32%	0.322	27%	0.274	S	S	.	.	S	Bend	trans	-72.4	-15.2	170.6	60.6	0	0	0	0	114.3	Q138 Q139	Q138-S333 WeakPolarHBondContact CB-O 3.5Å; Q138-S333 PolarHBondContact OE1-O 2.89Å; Q138-S333 VanDerWaalsContact OE1-O 3.1Å; Q139-S333 VanDerWaalsContact OE1-CB 3.26Å
334	Q	78	Confident	86.4	Confident	60 Å²	60	48.6 Å²	48.6	28%	0.28	29%	0.291	S	S	.	.	S	Bend	trans	-149.8	142.1	178.6	50.8	176.6	91.2	0	0	108.3	L332	L332-Q334 VanDerWaalsContact CB-O 3.29Å; L332-Q334 WeakPolarHBondContact CB-O 3.03Å; L332-Q334 PolarHBondContact O-N 3.01Å
335	G	84.1	Confident	85.9	Confident	6 Å²	6	48.6 Å²	48.6	6%	0.062	29%	0.289	C	S	.	.			trans	-70.9	-165.1	168	0	0	0	0	0	112.5	T278 S321 T337	T278-G335 WeakPolarHBondContact OG1-CA 2.86Å; S321-G335 WeakPolarHBondContact OG-CA 3.32Å; S321-G335 PolarHBondContact OG-N 3.19Å; G335-T337 PolarHBondContact O-N 3.45Å; G335-T337 VanDerWaalsContact O-N 3.12Å
336	R	90.2	Very high	85.7	Confident	6 Å²	6	51.6 Å²	51.6	2%	0.023	31%	0.305	C	S	.	.	S	Bend	trans	-89.8	55	176	-70.4	-168.5	75.2	-128.9	0	111.6	D260 V276 T278 L289 A290 N301	D260-R336 IonicContact OD1-NE 3.67Å; D260-R336 PolarHBondContact OD1-NE 2.83Å; D260-R336 IonicContact OD2-CZ 3.9Å; D260-R336 VanDerWaalsContact OD2-CZ 3.26Å; D260-R336 IonicContact OD2-NE 2.78Å; D260-R336 PolarHBondContact OD2-NE 2.93Å; D260-R336 VanDerWaalsContact OD2-NE 3.11Å; D260-R336 IonicContact OD2-NH2 3.78Å; D260-R336 PolarHBondContact OD2-NH2 3.02Å; V276-R336 HydrophobicContact CB-CG 4.12Å; V276-R336 HydrophobicContact CG1-CG 3.72Å; V276-R336 HydrophobicContact CG2-CG 4.4Å; T278-R336 PolarHBondContact OG1-N 3.09Å; L289-R336 HydrophobicContact CB-CB 4.26Å; L289-R336 HydrophobicContact CD1-CB 4.4Å; L289-R336 PolarHBondContact N-O 3.08Å; A290-R336 PolarHBondContact O-NH1 3Å; A290-R336 PolarHBondContact O-NH2 3.36Å; N301-R336 WeakPolarHBondContact OD1-CD 3.19Å; N301-R336 PolarHBondContact OD1-NH1 2.85Å
337	T	84.1	Confident	85.5	Confident	21 Å²	21	49.6 Å²	49.6	13%	0.129	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	147.2	170.1	51.5	0	0	0	0	109.6	T278 I282 K287 G335	T278-T337 HydrophobicContact CG2-CG2 4.46Å; I282-T337 HydrophobicContact CD1-CG2 4.25Å; I282-T337 HydrophobicContact CG1-CG2 4.01Å; I282-T337 HydrophobicContact CG2-CG2 4.38Å; K287-T337 WeakPolarHBondContact O-CA 3.47Å; G335-T337 PolarHBondContact O-N 3.45Å; G335-T337 VanDerWaalsContact O-N 3.12Å
338	V	77.9	Confident	85.3	Confident	23 Å²	23	39.9 Å²	39.9	14%	0.139	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.8	172.6	-66.6	0	0	0	0	108.7	K287 L289	K287-V338 HydrophobicContact CB-CG2 4.01Å; K287-V338 PolarHBondContact N-O 2.78Å; K287-V338 PolarHBondContact O-N 3.4Å; L289-V338 HydrophobicContact CD1-CG1 4Å; L289-V338 HydrophobicContact CD2-CG1 3.87Å; L289-V338 HydrophobicContact CD2-CG2 3.88Å; L289-V338 HydrophobicContact CG-CG1 4.03Å; L289-V338 HydrophobicContact CG-CG2 4.45Å
339	S	67.3	Low	84.6	Confident	118 Å²	118	37.8 Å²	37.8	83%	0.825	22%	0.222	S	C	*	.			trans	-71.9	0	175.8	60.3	0	0	0	0	112.2	D286	D286-S339 WeakPolarHBondContact OD1-CA 3.12Å

Retrieved 339 of 339 residues in 340.6 ms (Link to these results)

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