CERC_SCHMA Loading...

Cercarial protease

This protease cleaves elastin and thus facilitates penetration of schistosome parasite larvae through elastin-rich tissue of the host.

AlphaFold DB , UniProt , Accession P12546, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 264 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	46.3	Very low	47.2	Very low	245 Å²	245	170.2 Å²	170.2	100%	1.207	83%	0.83	S	S	*	*				0	126.3	0	-76.2	165.8	71.7	0	0	108.4
2	S	42.5	Very low	47.3	Very low	103 Å²	103	164.6 Å²	164.6	72%	0.72	81%	0.814	S	S	*	*			trans	-56	134.4	179	172.3	0	0	0	0	111.8
3	N	49.1	Very low	47.2	Very low	158 Å²	158	163.1 Å²	163.1	85%	0.845	81%	0.809	S	S	*	*			trans	-146.1	108.7	145.4	-119.9	-3.7	0	0	0	111
4	R	45.4	Very low	47.2	Very low	226 Å²	226	163.2 Å²	163.2	85%	0.853	80%	0.803	S	S	*	*			trans	-67.6	127.4	167.2	-76.3	168.9	145.9	-173.2	-5.4	108.7
5	W	49.8	Very low	47	Very low	233 Å²	233	160.8 Å²	160.8	88%	0.883	80%	0.802	S	S	*	*			trans	-128.4	125.7	149.9	-101	72.1	0	0	0	109.7
6	R	46.2	Very low	46.7	Very low	235 Å²	235	163.1 Å²	163.1	89%	0.887	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-66.7	124.1	-176.8	-71.4	168	154.8	176.4	-7.8	109.2
7	F	48.1	Very low	46.5	Very low	200 Å²	200	159.5 Å²	159.5	88%	0.877	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-97.9	129.6	158.9	-90	-87.7	0	0	0	109.5	V9	F7-V9 PolarHBondContact O-N 3.03Å
8	V	50.1	Low	46.2	Very low	126 Å²	126	159.3 Å²	159.3	76%	0.764	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-59.7	124.9	-179.4	172.4	0	0	0	0	109.5	V10	V8-V10 PolarHBondContact O-N 3.04Å
9	V	46	Very low	45.9	Very low	121 Å²	121	156.9 Å²	156.9	73%	0.733	79%	0.79	S	S	*	*			trans	-73.1	104.2	170.2	178	0	0	0	0	107.5	F7 V11	F7-V9 PolarHBondContact O-N 3.03Å; V9-V11 HydrophobicContact CG1-CG2 3.74Å; V9-V11 PolarHBondContact O-N 3.49Å
10	V	48.7	Very low	45.5	Very low	113 Å²	113	157.9 Å²	157.9	69%	0.685	79%	0.789	S	S	*	*			trans	-80.5	101.3	164.7	179.2	0	0	0	0	106.7	V8 T12	V8-V10 PolarHBondContact O-N 3.04Å; V10-T12 HydrophobicContact CG1-CG2 4.04Å; V10-T12 PolarHBondContact O-N 3.27Å; V10-T12 VanDerWaalsContact O-N 3.12Å
11	V	47	Very low	44.9	Very low	112 Å²	112	157.9 Å²	157.9	68%	0.679	79%	0.787	S	S	*	*			trans	-77.3	90.4	168.8	-179.2	0	0	0	0	107.4	V9 L13	V9-V11 HydrophobicContact CG1-CG2 3.74Å; V9-V11 PolarHBondContact O-N 3.49Å; V11-L13 HydrophobicContact CG1-CG 4.39Å; V11-L13 PolarHBondContact O-N 3.36Å; V11-L13 VanDerWaalsContact O-N 3.16Å
12	T	48.6	Very low	44.2	Very low	103 Å²	103	157 Å²	157	63%	0.632	77%	0.77	S	S	*	*			trans	-74.3	96.5	162.1	43	0	0	0	0	108.3	V10 F14	V10-T12 HydrophobicContact CG1-CG2 4.04Å; V10-T12 PolarHBondContact O-N 3.27Å; V10-T12 VanDerWaalsContact O-N 3.12Å; T12-F14 VanDerWaalsContact C-N 3.29Å; T12-F14 PolarHBondContact O-N 2.97Å
13	L	46.3	Very low	43.7	Very low	145 Å²	145	156 Å²	156	76%	0.759	76%	0.759	S	S	*	*			trans	-63.8	92.8	161.9	-95.2	150.8	0	0	0	108.1	V11 T15	V11-L13 HydrophobicContact CG1-CG 4.39Å; V11-L13 PolarHBondContact O-N 3.36Å; V11-L13 VanDerWaalsContact O-N 3.16Å; L13-T15 PolarHBondContact O-N 3.28Å
14	F	46.1	Very low	42.8	Very low	165 Å²	165	151.8 Å²	151.8	72%	0.724	74%	0.742	S	S	*	*			trans	-72.8	83.3	164.8	-109.7	-95.4	0	0	0	108	T12 Y16	T12-F14 VanDerWaalsContact C-N 3.29Å; T12-F14 PolarHBondContact O-N 2.97Å; F14-Y16 AromaticContact CD1-CD2 3.73Å; F14-Y16 HydrophobicContact CD1-CD2 3.73Å; F14-Y16 HydrophobicContact CD1-CE2 4.47Å; F14-Y16 AromaticContact CE1-CD2 3.86Å; F14-Y16 HydrophobicContact CE1-CD2 3.86Å; F14-Y16 HydrophobicContact CE1-CE2 4.14Å; F14-Y16 PolarHBondContact O-N 3.2Å
15	T	44.2	Very low	42	Very low	127 Å²	127	145.6 Å²	145.6	78%	0.779	73%	0.73	S	S	*	*			trans	-69.3	80.6	156.3	32.4	0	0	0	0	107.6	L13	L13-T15 PolarHBondContact O-N 3.28Å
16	Y	42.2	Very low	41.3	Very low	198 Å²	198	137.9 Å²	137.9	78%	0.776	70%	0.7	S	S	*	*			trans	-84.2	114.6	168.3	-138.6	-101.3	0	0	0	108.1	F14 L18	F14-Y16 AromaticContact CD1-CD2 3.73Å; F14-Y16 HydrophobicContact CD1-CD2 3.73Å; F14-Y16 HydrophobicContact CD1-CE2 4.47Å; F14-Y16 AromaticContact CE1-CD2 3.86Å; F14-Y16 HydrophobicContact CE1-CD2 3.86Å; F14-Y16 HydrophobicContact CE1-CE2 4.14Å; F14-Y16 PolarHBondContact O-N 3.2Å; Y16-L18 PolarHBondContact O-N 3.17Å
17	C	43.7	Very low	40.8	Very low	101 Å²	101	127.5 Å²	127.5	68%	0.682	66%	0.662	S	S	*	*			trans	-43.3	119	-177.7	-70.1	0	0	0	0	112.6	T19	C17-T19 HydrophobicContact CB-CG2 4.18Å; C17-T19 PolarHBondContact O-N 3.35Å
18	L	41.7	Very low	41.1	Very low	156 Å²	156	118 Å²	118	82%	0.817	62%	0.621	S	S	*	*			trans	-66.3	85	151.5	-73.3	166.6	0	0	0	107.4	Y16 F20	Y16-L18 PolarHBondContact O-N 3.17Å; L18-F20 PolarHBondContact O-N 2.78Å
19	T	40.6	Very low	41.6	Very low	115 Å²	115	115 Å²	115	71%	0.706	60%	0.596	S	S	*	*			trans	-73	77.1	159.9	53	0	0	0	0	107.5	C17 E21	C17-T19 HydrophobicContact CB-CG2 4.18Å; C17-T19 PolarHBondContact O-N 3.35Å; T19-E21 PolarHBondContact O-N 2.99Å
20	F	37.2	Very low	42.5	Very low	175 Å²	175	112.3 Å²	112.3	77%	0.768	58%	0.582	S	S	*	*			trans	-63.9	85.8	149	-102.3	-90	0	0	0	106	L18 R22	L18-F20 PolarHBondContact O-N 2.78Å; F20-R22 PolarHBondContact O-N 2.82Å
21	E	34.2	Very low	44	Very low	159 Å²	159	107.4 Å²	107.4	74%	0.743	55%	0.554	S	S	*	*			trans	-69.1	87.4	161.1	-81.1	-165.7	170.7	0	0	107.7	T19 V23	T19-E21 PolarHBondContact O-N 2.99Å; E21-V23 HydrophobicContact CB-CG2 3.89Å; E21-V23 PolarHBondContact O-N 3.16Å
22	R	30.8	Very low	45.9	Very low	225 Å²	225	106.8 Å²	106.8	85%	0.849	54%	0.544	S	S	*	.			trans	-62.3	88.8	149.2	-68.3	-175.3	-179.6	-171.7	1.4	106.9	F20 S24	F20-R22 PolarHBondContact O-N 2.82Å; R22-S24 PolarHBondContact O-N 3.43Å
23	V	32.4	Very low	47.9	Very low	84 Å²	84	103.1 Å²	103.1	51%	0.509	52%	0.522	S	S	.	.			trans	-90.3	85.3	164	-167.7	0	0	0	0	106	E21	E21-V23 HydrophobicContact CB-CG2 3.89Å; E21-V23 PolarHBondContact O-N 3.16Å
24	S	30.5	Very low	50.1	Low	69 Å²	69	96.5 Å²	96.5	48%	0.483	49%	0.487	S	S	.	.				63.7	94	82.6	-155.4	0	0	0	0	113.2	R22 W26	R22-S24 PolarHBondContact O-N 3.43Å; S24-W26 VanDerWaalsContact O-CD1 3.31Å; S24-W26 PolarHBondContact O-NE1 2.87Å
25	T	27.4	Very low	52.4	Low	96 Å²	96	94.1 Å²	94.1	59%	0.589	48%	0.478	S	S	*	.			trans	24.3	112.5	143.7	59.7	0	0	0	0	119.6
26	W	35.7	Very low	54.8	Low	70 Å²	70	94.1 Å²	94.1	27%	0.265	47%	0.469	S	S	.	.			trans	-133.4	154	166.4	-55.4	119.8	0	0	0	110.3	S24 A214 P215 T239 I246	S24-W26 VanDerWaalsContact O-CD1 3.31Å; S24-W26 PolarHBondContact O-NE1 2.87Å; W26-A214 WeakPolarHBondContact O-CA 3.14Å; W26-P215 WeakPolarHBondContact O-CD 3.45Å; W26-T239 VanDerWaalsContact CZ2-OG1 3.26Å; W26-T239 WeakPolarHBondContact CZ2-OG1 3.36Å; W26-I246 HydrophobicContact CB-CD1 4.15Å; W26-I246 HydrophobicContact CD2-CB 4.5Å; W26-I246 HydrophobicContact CD2-CD1 3.33Å; W26-I246 HydrophobicContact CD2-CG1 3.32Å; W26-I246 HydrophobicContact CD2-CG2 4.44Å; W26-I246 HydrophobicContact CE3-CD1 2.91Å; W26-I246 HydrophobicContact CE3-CG1 3.36Å; W26-I246 HydrophobicContact CG-CD1 3.87Å; W26-I246 HydrophobicContact CG-CG1 3.88Å; W26-I246 HydrophobicContact CG-CG2 4.18Å; W26-I246 HydrophobicContact CH2-CD1 4.17Å; W26-I246 HydrophobicContact CH2-CG1 3.89Å; W26-I246 HydrophobicContact CZ2-CG1 3.93Å; W26-I246 HydrophobicContact CZ3-CD1 3.38Å; W26-I246 HydrophobicContact CZ3-CG1 3.63Å
27	L	35.6	Very low	57.2	Low	17 Å²	17	86.7 Å²	86.7	9%	0.089	45%	0.446	C	S	.	.			trans	-139.4	154.1	-158.1	-64.3	160.1	0	0	0	111.3	R29 R167 D169 L212	L27-R29 HydrophobicContact CB-CB 4.29Å; L27-R29 PolarHBondContact O-N 3.15Å; L27-R167 HydrophobicContact CD2-CB 3.56Å; L27-R167 WeakPolarHBondContact CD2-O 3.46Å; L27-D169 HydrophobicContact CD1-CB 3.44Å; L27-D169 VanDerWaalsContact CD1-CB 3.44Å; L27-D169 WeakPolarHBondContact CD1-OD2 3.21Å; L27-D169 HydrophobicContact CD2-CB 4.12Å; L27-D169 WeakPolarHBondContact CD2-OD2 3.46Å; L27-D169 HydrophobicContact CG-CB 4.38Å; L27-L212 CarbonylContact C-O 3.43Å; L27-L212 CarbonylContact O-C 3.13Å
28	I	54	Low	59.6	Low	1 Å²	1	85.6 Å²	85.6	1%	0.005	44%	0.443	C	S	.	.			trans	-68	71.4	150.9	-76	-176.9	0	0	0	106	S30 R167 D168 K183 L212 D217	I28-S30 PolarHBondContact O-N 3.24Å; I28-R167 PolarHBondContact N-O 2.63Å; I28-D168 WeakPolarHBondContact O-CB 3.34Å; I28-K183 HydrophobicContact CG2-CB 4.07Å; I28-K183 HydrophobicContact CG2-CD 4.32Å; I28-L212 WeakPolarHBondContact CA-O 3.39Å; I28-L212 WeakPolarHBondContact CG1-O 3.41Å; I28-L212 PolarHBondContact N-O 3.43Å; I28-D217 HydrophobicContact CD1-CB 4.06Å; I28-D217 WeakPolarHBondContact CD1-OD1 3.21Å; I28-D217 WeakPolarHBondContact CD1-OD2 2.95Å; I28-D217 WeakPolarHBondContact CG1-OD2 3.21Å
29	R	60.7	Low	62.1	Low	64 Å²	64	80.3 Å²	80.3	24%	0.242	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	113.5	178.4	-179.3	-179.7	-70.9	167.2	0.5	106.4	L27 G31 N170 G210 Q211 D245	L27-R29 HydrophobicContact CB-CB 4.29Å; L27-R29 PolarHBondContact O-N 3.15Å; R29-G31 PolarHBondContact O-N 2.87Å; R29-N170 WeakPolarHBondContact CG-ND2 3.33Å; R29-G210 VanDerWaalsContact CB-O 3.3Å; R29-G210 WeakPolarHBondContact CB-O 3.49Å; R29-G210 VanDerWaalsContact CD-O 3.28Å; R29-G210 WeakPolarHBondContact CD-O 3.29Å; R29-G210 WeakPolarHBondContact CG-O 3.35Å; R29-Q211 WeakPolarHBondContact O-CA 3.18Å; R29-Q211 WeakPolarHBondContact O-CG 3.4Å; R29-D245 IonicContact NH1-OD1 2.63Å; R29-D245 PolarHBondContact NH1-OD1 3.46Å; R29-D245 IonicContact NH1-OD2 3.63Å
30	S	65.6	Low	64.8	Low	64 Å²	64	75 Å²	75	45%	0.448	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.7	25.8	169	-45	0	0	0	0	116	I28 D168 Q211	I28-S30 PolarHBondContact O-N 3.24Å; S30-D168 PolarHBondContact N-OD1 2.98Å; S30-Q211 WeakPolarHBondContact O-CG 3.38Å; S30-Q211 PolarHBondContact O-NE2 3.41Å
31	G	78.6	Confident	67.6	Low	9 Å²	9	67.4 Å²	67.4	9%	0.093	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-67.6	155.2	172.2	0	0	0	0	0	113	R29 K184	R29-G31 PolarHBondContact O-N 2.87Å; G31-K184 WeakPolarHBondContact CA-O 3.36Å
32	E	88	Confident	70.7	Confident	100 Å²	100	60.1 Å²	60.1	47%	0.467	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	128.3	173.2	-170.6	-167	163.3	0	0	109.5	V34 K183 K184	E32-V34 PolarHBondContact O-N 2.97Å; E32-K183 CarbonylContact O-C 3.59Å; E32-K183 VanDerWaalsContact O-CA 3.29Å; E32-K183 WeakPolarHBondContact O-CA 3.36Å; E32-K184 HydrophobicContact CB-CG 4.3Å; E32-K184 PolarHBondContact N-O 2.82Å; E32-K184 PolarHBondContact O-N 2.96Å; E32-K184 WeakPolarHBondContact OE2-CE 3.47Å; E32-K184 IonicContact OE2-NZ 2.65Å
33	P	90.9	Very high	73.9	Confident	25 Å²	25	49.5 Å²	49.5	16%	0.162	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.5	130.8	169.3	-22.2	32.4	0	0	0	111.1	Q35	P33-Q35 PolarHBondContact O-NE2 2.94Å
34	V	93.1	Very high	77	Confident	7 Å²	7	45.5 Å²	45.5	4%	0.042	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-67.1	133.8	173.1	177	0	0	0	0	109	E32 H36 E39 F40 L84 L182 K184	E32-V34 PolarHBondContact O-N 2.97Å; V34-H36 VanDerWaalsContact CG1-O 3.3Å; V34-H36 WeakPolarHBondContact CG1-O 3.14Å; V34-E39 HydrophobicContact CG1-CB 3.91Å; V34-E39 HydrophobicContact CG1-CG 4.27Å; V34-E39 WeakPolarHBondContact CG1-OE1 3.05Å; V34-F40 HydrophobicContact CG1-CD2 4.06Å; V34-F40 HydrophobicContact CG1-CE2 4.39Å; V34-F40 HydrophobicContact CG2-CD2 3.8Å; V34-F40 HydrophobicContact CG2-CE2 3.64Å; V34-L84 HydrophobicContact CB-CD2 4.01Å; V34-L84 HydrophobicContact CG1-CD2 3.78Å; V34-L182 HydrophobicContact CB-CB 4.35Å; V34-L182 HydrophobicContact CB-CD2 3.96Å; V34-L182 HydrophobicContact CB-CG 4.02Å; V34-L182 HydrophobicContact CG1-CD2 4.07Å; V34-L182 HydrophobicContact CG2-CB 4.43Å; V34-L182 HydrophobicContact CG2-CD2 3.94Å; V34-L182 HydrophobicContact CG2-CG 3.72Å; V34-L182 PolarHBondContact N-O 2.92Å; V34-K184 HydrophobicContact CG2-CB 4.14Å; V34-K184 HydrophobicContact CG2-CD 4.33Å; V34-K184 HydrophobicContact CG2-CG 4.2Å
35	Q	93	Very high	80.3	Confident	114 Å²	114	42.4 Å²	42.4	53%	0.533	23%	0.23	S	C	.	.	S	Bend	trans	-93.4	-31.9	-173	-60.4	-57.4	-55.7	0	0	111.9	P33 E39 L84	P33-Q35 PolarHBondContact O-NE2 2.94Å; Q35-E39 PolarHBondContact N-OE1 3.38Å; Q35-L84 WeakPolarHBondContact O-CD1 3.13Å
36	H	94.3	Very high	83.6	Confident	127 Å²	127	37.9 Å²	37.9	59%	0.588	20%	0.202	S	C	*	.			trans	-128.5	131.3	178.7	-63.2	84.7	0	0	0	111.1	V34 A38 E39	V34-H36 VanDerWaalsContact CG1-O 3.3Å; V34-H36 WeakPolarHBondContact CG1-O 3.14Å; H36-A38 PolarHBondContact O-N 3.28Å; H36-E39 HydrophobicContact CB-CG 4.31Å; H36-E39 PolarHBondContact N-OE1 3.34Å; H36-E39 WeakPolarHBondContact O-CB 3.27Å; H36-E39 WeakPolarHBondContact O-CG 3.34Å; H36-E39 PolarHBondContact O-N 2.86Å
37	P	92.9	Very high	86.5	Confident	43 Å²	43	35.4 Å²	35.4	28%	0.279	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-57.4	-27.9	179.2	-15.8	21.5	0	0	0	113.4	E39 F40 L82 L84	P37-E39 PolarHBondContact O-N 2.76Å; P37-F40 CarbonylContact O-C 3.57Å; P37-F40 PolarHBondContact O-N 2.82Å; P37-L82 HydrophobicContact CB-CB 4.04Å; P37-L82 HydrophobicContact CB-CD2 4.26Å; P37-L84 HydrophobicContact CB-CD2 4.44Å; P37-L84 HydrophobicContact CG-CD1 4.39Å; P37-L84 HydrophobicContact CG-CD2 4.24Å; P37-L84 HydrophobicContact CG-CG 3.95Å
38	A	94.1	Very high	89.2	Confident	77 Å²	77	35.2 Å²	35.2	64%	0.636	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-68.5	-9.6	178.3	0	0	0	0	0	114.3	H36 F40 P41	H36-A38 PolarHBondContact O-N 3.28Å; A38-F40 VanDerWaalsContact C-N 3.33Å; A38-P41 WeakPolarHBondContact O-CD 3.48Å
39	E	95.1	Very high	91	Very high	46 Å²	46	41.8 Å²	41.8	22%	0.215	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-67.7	-34.4	172.9	-68.3	179.3	-113.9	0	0	111.8	V34 Q35 H36 P37 K184	V34-E39 HydrophobicContact CG1-CB 3.91Å; V34-E39 HydrophobicContact CG1-CG 4.27Å; V34-E39 WeakPolarHBondContact CG1-OE1 3.05Å; Q35-E39 PolarHBondContact N-OE1 3.38Å; H36-E39 HydrophobicContact CB-CG 4.31Å; H36-E39 PolarHBondContact N-OE1 3.34Å; H36-E39 WeakPolarHBondContact O-CB 3.27Å; H36-E39 WeakPolarHBondContact O-CG 3.34Å; H36-E39 PolarHBondContact O-N 2.86Å; P37-E39 PolarHBondContact O-N 2.76Å; E39-K184 IonicContact OE2-NZ 2.68Å; E39-K184 PolarHBondContact OE2-NZ 2.91Å
40	F	96.4	Very high	92.3	Very high	2 Å²	2	49 Å²	49	1%	0.009	25%	0.252	C	S	.	.	S	Bend	trans	-131.3	65.9	179	-62.1	-87.9	0	0	0	110.9	V34 P37 A38 F42 I43 V163 K184 L223 L226	V34-F40 HydrophobicContact CG1-CD2 4.06Å; V34-F40 HydrophobicContact CG1-CE2 4.39Å; V34-F40 HydrophobicContact CG2-CD2 3.8Å; V34-F40 HydrophobicContact CG2-CE2 3.64Å; P37-F40 CarbonylContact O-C 3.57Å; P37-F40 PolarHBondContact O-N 2.82Å; A38-F40 VanDerWaalsContact C-N 3.33Å; F40-F42 HydrophobicContact CB-CZ 4.4Å; F40-F42 HydrophobicContact CD1-CE1 4.4Å; F40-F42 HydrophobicContact CD1-CE2 4.35Å; F40-F42 AromaticContact CD1-CZ 3.73Å; F40-F42 HydrophobicContact CD1-CZ 3.73Å; F40-F42 PolarHBondContact O-N 3.41Å; F40-I43 HydrophobicContact CB-CB 3.99Å; F40-I43 HydrophobicContact CB-CG2 3.91Å; F40-I43 WeakPolarHBondContact O-CG2 3.48Å; F40-I43 PolarHBondContact O-N 3.49Å; F40-V163 HydrophobicContact CD1-CB 4.2Å; F40-V163 HydrophobicContact CD1-CG1 3.92Å; F40-V163 HydrophobicContact CD1-CG2 3.94Å; F40-V163 HydrophobicContact CD2-CG2 4.12Å; F40-V163 HydrophobicContact CE1-CB 3.94Å; F40-V163 HydrophobicContact CE1-CG1 3.91Å; F40-V163 HydrophobicContact CE1-CG2 4.03Å; F40-V163 HydrophobicContact CE2-CG2 4.21Å; F40-V163 HydrophobicContact CG-CG2 3.98Å; F40-V163 HydrophobicContact CZ-CB 4.23Å; F40-V163 HydrophobicContact CZ-CG2 4.15Å; F40-K184 HydrophobicContact CE2-CB 3.89Å; F40-K184 HydrophobicContact CE2-CD 3.91Å; F40-K184 HydrophobicContact CE2-CG 4.44Å; F40-K184 HydrophobicContact CZ-CB 3.74Å; F40-K184 HydrophobicContact CZ-CD 4.1Å; F40-L223 HydrophobicContact CE1-CD1 4.38Å; F40-L226 HydrophobicContact CE1-CD2 3.82Å; F40-L226 HydrophobicContact CZ-CD2 3.62Å
41	P	97.1	Very high	93.6	Very high	16 Å²	16	49.1 Å²	49.1	10%	0.104	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-4.2	-169.8	28.8	-33.7	0	0	0	114.2	A38 L82 G141 I142 R143	A38-P41 WeakPolarHBondContact O-CD 3.48Å; P41-L82 HydrophobicContact CB-CD2 4.22Å; P41-G141 VanDerWaalsContact CB-O 3.3Å; P41-G141 WeakPolarHBondContact CB-O 3.33Å; P41-I142 WeakPolarHBondContact O-CA 3.44Å; P41-I142 WeakPolarHBondContact O-CG2 3.49Å; P41-R143 HydrophobicContact CB-CB 4.1Å; P41-R143 HydrophobicContact CB-CG 3.83Å; P41-R143 HydrophobicContact CG-CB 3.83Å; P41-R143 HydrophobicContact CG-CG 3.57Å; P41-R143 PolarHBondContact O-N 3.42Å
42	F	98.2	Very high	94.3	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.026	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-11.8	176.7	53.6	-95.1	0	0	0	112.9	F40 S56 L57 R143 I145 P221 L223 L226	F40-F42 HydrophobicContact CB-CZ 4.4Å; F40-F42 HydrophobicContact CD1-CE1 4.4Å; F40-F42 HydrophobicContact CD1-CE2 4.35Å; F40-F42 AromaticContact CD1-CZ 3.73Å; F40-F42 HydrophobicContact CD1-CZ 3.73Å; F40-F42 PolarHBondContact O-N 3.41Å; F42-S56 WeakPolarHBondContact O-CA 3.34Å; F42-L57 PolarHBondContact O-N 3.48Å; F42-R143 VanDerWaalsContact CA-O 3.23Å; F42-R143 WeakPolarHBondContact CA-O 3.5Å; F42-R143 WeakPolarHBondContact CB-O 3.37Å; F42-I145 HydrophobicContact CB-CB 3.83Å; F42-I145 HydrophobicContact CB-CG2 4.06Å; F42-I145 HydrophobicContact CD1-CB 4.09Å; F42-I145 HydrophobicContact CD1-CD1 3.77Å; F42-I145 HydrophobicContact CD1-CG1 4.42Å; F42-I145 HydrophobicContact CD2-CB 4.02Å; F42-I145 HydrophobicContact CD2-CD1 3.56Å; F42-I145 HydrophobicContact CD2-CG1 4.44Å; F42-I145 HydrophobicContact CD2-CG2 4.02Å; F42-I145 HydrophobicContact CE1-CD1 3.57Å; F42-I145 HydrophobicContact CE2-CD1 3.35Å; F42-I145 HydrophobicContact CG-CB 3.7Å; F42-I145 HydrophobicContact CG-CD1 3.77Å; F42-I145 HydrophobicContact CG-CG1 4.34Å; F42-I145 HydrophobicContact CG-CG2 4.09Å; F42-I145 HydrophobicContact CZ-CD1 3.34Å; F42-P221 HydrophobicContact CE2-CG 4.22Å; F42-L223 HydrophobicContact CE2-CD1 4.08Å; F42-L223 HydrophobicContact CZ-CD1 3.76Å; F42-L226 WeakPolarHBondContact CE1-O 3.47Å
43	I	98.1	Very high	94.8	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	132.9	-174.3	-157.4	74.3	0	0	0	110.1	F40 T54 G55 F81 V163 Y165 L182 P221	F40-I43 HydrophobicContact CB-CB 3.99Å; F40-I43 HydrophobicContact CB-CG2 3.91Å; F40-I43 WeakPolarHBondContact O-CG2 3.48Å; F40-I43 PolarHBondContact O-N 3.49Å; I43-T54 HydrophobicContact CD1-CG2 3.54Å; I43-T54 HydrophobicContact CG1-CG2 3.82Å; I43-G55 WeakPolarHBondContact CD1-O 3.47Å; I43-F81 WeakPolarHBondContact O-CD1 3.49Å; I43-V163 HydrophobicContact CD1-CG1 3.8Å; I43-V163 HydrophobicContact CD1-CG2 4.25Å; I43-V163 HydrophobicContact CG1-CG2 4.43Å; I43-Y165 HydrophobicContact CG1-CE2 4.13Å; I43-Y165 HydrophobicContact CG2-CE2 4.4Å; I43-L182 HydrophobicContact CG1-CD1 4.07Å; I43-L182 HydrophobicContact CG2-CD1 4.14Å; I43-L182 HydrophobicContact CG2-CD2 3.83Å; I43-P221 VanDerWaalsContact CD1-CD 3.46Å; I43-P221 HydrophobicContact CD1-CG 3.8Å
44	A	98.4	Very high	95.1	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	132.3	179	0	0	0	0	0	110.3	L46 T54 G55 V63 V79 S80 F81	A44-L46 HydrophobicContact CB-CD2 4.18Å; A44-T54 CarbonylContact O-C 3.33Å; A44-T54 WeakPolarHBondContact O-CA 3.43Å; A44-G55 PolarHBondContact N-O 3.44Å; A44-G55 PolarHBondContact O-N 2.82Å; A44-V63 HydrophobicContact CB-CG1 3.61Å; A44-V63 HydrophobicContact CB-CG2 4.47Å; A44-V79 HydrophobicContact CB-CG1 3.99Å; A44-S80 WeakPolarHBondContact CA-O 3.48Å; A44-F81 HydrophobicContact CB-CD1 4.24Å; A44-F81 HydrophobicContact CB-CE1 3.62Å; A44-F81 HydrophobicContact CB-CZ 4.13Å
45	F	98	Very high	95.4	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113	165.6	-174.6	-132.5	0	0	0	109.5	T47 M52 S80 T83 N86 Y165	F45-T47 HydrophobicContact CD1-CG2 3.86Å; F45-T47 HydrophobicContact CE1-CG2 3.33Å; F45-T47 HydrophobicContact CE2-CG2 4.3Å; F45-T47 HydrophobicContact CG-CG2 4.5Å; F45-T47 HydrophobicContact CZ-CG2 3.59Å; F45-M52 HydrophobicContact CE2-CB 3.57Å; F45-M52 HydrophobicContact CE2-CG 4.09Å; F45-M52 HydrophobicContact CE2-SD 3.89Å; F45-M52 HydrophobicContact CZ-CB 3.87Å; F45-M52 HydrophobicContact CZ-SD 4.03Å; F45-S80 PolarHBondContact N-O 2.89Å; F45-S80 PolarHBondContact O-N 2.84Å; F45-T83 HydrophobicContact CB-CG2 3.92Å; F45-N86 HydrophobicContact CE1-CB 3.76Å; F45-N86 WeakPolarHBondContact CE1-OD1 3.34Å; F45-N86 HydrophobicContact CZ-CB 3.83Å; F45-Y165 HydrophobicContact CB-CD1 4.5Å; F45-Y165 HydrophobicContact CB-CD2 4.01Å; F45-Y165 HydrophobicContact CB-CE1 4.15Å; F45-Y165 HydrophobicContact CB-CE2 3.62Å; F45-Y165 HydrophobicContact CB-CG 4.44Å; F45-Y165 AromaticContact CD2-CD1 3.84Å; F45-Y165 HydrophobicContact CD2-CD1 3.84Å; F45-Y165 AromaticContact CD2-CD2 3.56Å; F45-Y165 HydrophobicContact CD2-CD2 3.56Å; F45-Y165 HydrophobicContact CD2-CE1 4.32Å; F45-Y165 HydrophobicContact CD2-CE2 4.08Å; F45-Y165 AromaticContact CD2-CG 3.42Å; F45-Y165 HydrophobicContact CD2-CG 3.42Å; F45-Y165 VanDerWaalsContact CD2-CG 3.42Å; F45-Y165 HydrophobicContact CE2-CD1 4.27Å; F45-Y165 HydrophobicContact CE2-CD2 4.44Å; F45-Y165 AromaticContact CE2-CG 3.92Å; F45-Y165 HydrophobicContact CE2-CG 3.92Å; F45-Y165 HydrophobicContact CG-CD1 4.22Å; F45-Y165 HydrophobicContact CG-CD2 4.16Å; F45-Y165 HydrophobicContact CG-CE1 4.28Å; F45-Y165 HydrophobicContact CG-CE2 4.23Å; F45-Y165 HydrophobicContact CG-CG 4.16Å
46	L	97.8	Very high	95.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.3	-179.3	-52.9	-177.4	0	0	0	109.1	A44 M52 C53 V63 T65 V76 V79 V130	A44-L46 HydrophobicContact CB-CD2 4.18Å; L46-M52 CarbonylContact O-C 3.53Å; L46-M52 VanDerWaalsContact O-CA 3.23Å; L46-M52 WeakPolarHBondContact O-CA 3.5Å; L46-C53 HydrophobicContact CB-CB 4.06Å; L46-C53 WeakPolarHBondContact CB-O 3.48Å; L46-C53 HydrophobicContact CD1-CB 4.27Å; L46-C53 PolarHBondContact N-O 2.84Å; L46-C53 PolarHBondContact O-N 2.91Å; L46-V63 HydrophobicContact CD2-CG1 4.2Å; L46-T65 HydrophobicContact CD1-CG2 3.84Å; L46-T65 WeakPolarHBondContact CD1-OG1 3.02Å; L46-V76 HydrophobicContact CB-CG1 4.4Å; L46-V79 HydrophobicContact CD2-CB 4.11Å; L46-V79 HydrophobicContact CD2-CG1 3.77Å; L46-V79 HydrophobicContact CD2-CG2 3.68Å; L46-V130 HydrophobicContact CD1-CG2 4.48Å
47	T	96	Very high	95.8	Very high	18 Å²	18	33.1 Å²	33.1	11%	0.11	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	136.7	177.3	53.4	0	0	0	0	110.6	F45 V76 I77 R78	F45-T47 HydrophobicContact CD1-CG2 3.86Å; F45-T47 HydrophobicContact CE1-CG2 3.33Å; F45-T47 HydrophobicContact CE2-CG2 4.3Å; F45-T47 HydrophobicContact CG-CG2 4.5Å; F45-T47 HydrophobicContact CZ-CG2 3.59Å; T47-V76 CarbonylContact O-C 3.51Å; T47-V76 WeakPolarHBondContact O-CA 3.39Å; T47-I77 WeakPolarHBondContact O-CG1 3.46Å; T47-I77 PolarHBondContact O-N 2.87Å; T47-R78 PolarHBondContact N-O 3.39Å; T47-R78 PolarHBondContact O-N 3.11Å; T47-R78 WeakPolarHBondContact OG1-CB 2.9Å; T47-R78 PolarHBondContact OG1-O 3.34Å
48	T	93.4	Very high	96.1	Very high	13 Å²	13	31.5 Å²	31.5	8%	0.08	16%	0.161	C	C	.	.			trans	-104.5	-176.5	160.5	77.3	0	0	0	0	107.8	R50 T51 P75 V76	T48-R50 PolarHBondContact O-N 3.17Å; T48-R50 PolarHBondContact OG1-N 2.95Å; T48-R50 VanDerWaalsContact OG1-N 3.15Å; T48-T51 WeakPolarHBondContact CG2-OG1 3.43Å; T48-T51 PolarHBondContact N-O 2.83Å; T48-T51 PolarHBondContact OG1-N 2.78Å; T48-T51 PolarHBondContact OG1-O 2.02Å; T48-T51 PolarHBondContact OG1-OG1 3.03Å; T48-P75 WeakPolarHBondContact CB-O 3.36Å; T48-P75 WeakPolarHBondContact CG2-O 3.35Å; T48-V76 HydrophobicContact CG2-CG2 4.39Å
49	E	91.4	Very high	96.3	Very high	138 Å²	138	28.8 Å²	28.8	65%	0.645	14%	0.137	S	C	*	.	S	Bend	trans	-63.4	-20.6	172.6	-62.8	-174.9	164.2	0	0	114	L74 I77	E49-L74 HydrophobicContact CB-CD1 4.41Å; E49-I77 HydrophobicContact CG-CD1 4.4Å
50	R	88.8	Confident	96.4	Very high	215 Å²	215	29 Å²	29	81%	0.811	14%	0.142	S	C	*	.	S	Bend	trans	-129.8	-22.4	-172.4	-69.8	-170.8	-178	-112.5	-3.2	114.9	T48 L74	T48-R50 PolarHBondContact O-N 3.17Å; T48-R50 PolarHBondContact OG1-N 2.95Å; T48-R50 VanDerWaalsContact OG1-N 3.15Å; R50-L74 HydrophobicContact CB-CD1 3.87Å; R50-L74 VanDerWaalsContact CD-CD1 3.44Å; R50-L74 HydrophobicContact CG-CD1 3.52Å
51	T	91.1	Very high	96.5	Very high	68 Å²	68	34.3 Å²	34.3	42%	0.417	16%	0.162	S	C	.	.			trans	-129	156.9	-171.3	63.1	0	0	0	0	110	T48	T48-T51 WeakPolarHBondContact CG2-OG1 3.43Å; T48-T51 PolarHBondContact N-O 2.83Å; T48-T51 PolarHBondContact OG1-N 2.78Å; T48-T51 PolarHBondContact OG1-O 2.02Å; T48-T51 PolarHBondContact OG1-OG1 3.03Å
52	M	94.4	Very high	96.6	Very high	37 Å²	37	33.6 Å²	33.6	18%	0.182	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	150.7	168.6	65.9	-167.8	176.2	0	0	109	F45 L46 Y165 G216	F45-M52 HydrophobicContact CE2-CB 3.57Å; F45-M52 HydrophobicContact CE2-CG 4.09Å; F45-M52 HydrophobicContact CE2-SD 3.89Å; F45-M52 HydrophobicContact CZ-CB 3.87Å; F45-M52 HydrophobicContact CZ-SD 4.03Å; L46-M52 CarbonylContact O-C 3.53Å; L46-M52 VanDerWaalsContact O-CA 3.23Å; L46-M52 WeakPolarHBondContact O-CA 3.5Å; M52-Y165 WeakPolarHBondContact CE-O 3.21Å; M52-G216 WeakPolarHBondContact O-CA 3.33Å
53	C	97.3	Very high	96.6	Very high	9 Å²	9	33.3 Å²	33.3	6%	0.061	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	168.9	172.5	-83.8	0	0	0	0	109	L46 C69 G216 S218	L46-C53 HydrophobicContact CB-CB 4.06Å; L46-C53 WeakPolarHBondContact CB-O 3.48Å; L46-C53 HydrophobicContact CD1-CB 4.27Å; L46-C53 PolarHBondContact N-O 2.84Å; L46-C53 PolarHBondContact O-N 2.91Å; C53-C69 HydrophobicContact CB-CB 3.73Å; C53-C69 WeakPolarHBondContact CB-SG 3.4Å; C53-C69 WeakPolarHBondContact SG-CB 3.39Å; C53-C69 CovalentContact SG-SG 2.04Å; C53-C69 PolarHBondContact SG-SG 2.87Å; C53-G216 CarbonylContact C-O 3.57Å; C53-G216 WeakPolarHBondContact CA-O 3.2Å; C53-S218 WeakPolarHBondContact CB-O 3.26Å
54	T	98.1	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	156.4	171.9	-54.9	0	0	0	0	109	I43 A44 T65 Y165 G216 S218 G219	I43-T54 HydrophobicContact CD1-CG2 3.54Å; I43-T54 HydrophobicContact CG1-CG2 3.82Å; A44-T54 CarbonylContact O-C 3.33Å; A44-T54 WeakPolarHBondContact O-CA 3.43Å; T54-T65 PolarHBondContact O-OG1 3.02Å; T54-Y165 HydrophobicContact CG2-CD2 4.17Å; T54-Y165 HydrophobicContact CG2-CE2 4.48Å; T54-Y165 PolarHBondContact OG1-N 3.25Å; T54-G216 PolarHBondContact N-O 3.42Å; T54-G216 PolarHBondContact OG1-O 2.63Å; T54-S218 PolarHBondContact N-O 3.18Å; T54-S218 VanDerWaalsContact O-O 3.08Å; T54-G219 CarbonylContact O-C 3.58Å; T54-G219 VanDerWaalsContact O-CA 3.27Å; T54-G219 WeakPolarHBondContact O-CA 3.48Å
55	G	98.5	Very high	96.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	-176.6	171.9	0	0	0	0	0	111.5	I43 A44 L64	I43-G55 WeakPolarHBondContact CD1-O 3.47Å; A44-G55 PolarHBondContact N-O 3.44Å; A44-G55 PolarHBondContact O-N 2.82Å; G55-L64 CarbonylContact C-O 3.56Å; G55-L64 WeakPolarHBondContact CA-O 3.39Å
56	S	98.7	Very high	96.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	134.5	177.8	-65.1	0	0	0	0	111.3	F42 V58 V63 L64 P221	F42-S56 WeakPolarHBondContact O-CA 3.34Å; S56-V58 PolarHBondContact O-N 2.83Å; S56-V63 CarbonylContact O-C 3.55Å; S56-V63 WeakPolarHBondContact O-CA 3.23Å; S56-L64 PolarHBondContact N-O 2.86Å; S56-L64 PolarHBondContact O-N 2.04Å; S56-P221 WeakPolarHBondContact OG-CB 3.38Å; S56-P221 WeakPolarHBondContact OG-CG 3.3Å
57	L	98.7	Very high	96.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	111.5	176.7	-169.9	72.4	0	0	0	110.6	F42 S59 V63 F81 L132 V136 I142 V144 I145	F42-L57 PolarHBondContact O-N 3.48Å; L57-S59 WeakPolarHBondContact CD1-O 3.41Å; L57-S59 WeakPolarHBondContact CG-O 3.02Å; L57-V63 HydrophobicContact CD1-CG2 3.95Å; L57-F81 HydrophobicContact CB-CE1 3.81Å; L57-F81 HydrophobicContact CB-CZ 4.25Å; L57-F81 HydrophobicContact CD1-CE1 4.21Å; L57-F81 HydrophobicContact CD1-CZ 3.78Å; L57-F81 HydrophobicContact CG-CE1 4.43Å; L57-F81 HydrophobicContact CG-CZ 4.45Å; L57-L132 HydrophobicContact CD1-CD1 4.07Å; L57-V136 HydrophobicContact CD1-CG2 3.96Å; L57-V136 HydrophobicContact CD2-CB 4.16Å; L57-V136 HydrophobicContact CD2-CG1 4.04Å; L57-V136 HydrophobicContact CD2-CG2 3.99Å; L57-I142 HydrophobicContact CD2-CG2 3.54Å; L57-V144 HydrophobicContact CD2-CG2 3.94Å; L57-V144 HydrophobicContact CG-CG2 4.19Å; L57-V144 CarbonylContact O-C 3.53Å; L57-V144 WeakPolarHBondContact O-CA 3.38Å; L57-I145 WeakPolarHBondContact O-CG2 3.42Å; L57-I145 PolarHBondContact O-N 3.34Å
58	V	98.5	Very high	96.6	Very high	9 Å²	9	34.9 Å²	34.9	6%	0.055	16%	0.162	C	C	.	.			trans	-110.2	-9.1	-177.3	-65.8	0	0	0	0	113.6	S56 A62 L64 V144 I145 L147 I264	S56-V58 PolarHBondContact O-N 2.83Å; V58-A62 HydrophobicContact CG2-CB 4.1Å; V58-A62 WeakPolarHBondContact CG2-O 3.49Å; V58-A62 PolarHBondContact N-O 3.49Å; V58-L64 HydrophobicContact CB-CB 4.49Å; V58-L64 HydrophobicContact CG1-CB 3.71Å; V58-L64 HydrophobicContact CG1-CD2 4.06Å; V58-L64 HydrophobicContact CG2-CB 3.92Å; V58-V144 VanDerWaalsContact C-CG1 3.41Å; V58-V144 WeakPolarHBondContact O-CG1 3.23Å; V58-I145 HydrophobicContact CG1-CG2 4.2Å; V58-L147 HydrophobicContact CB-CD2 4.06Å; V58-L147 HydrophobicContact CG1-CD2 3.84Å; V58-I264 HydrophobicContact CG2-CG2 3.87Å
59	S	98.2	Very high	96.8	Very high	19 Å²	19	34.4 Å²	34.4	13%	0.133	16%	0.159	C	C	.	.	S	Bend	trans	-148.8	172.6	162.2	86.1	0	0	0	0	109.1	L57 R61 A62 I264	L57-S59 WeakPolarHBondContact CD1-O 3.41Å; L57-S59 WeakPolarHBondContact CG-O 3.02Å; S59-R61 PolarHBondContact O-N 3.48Å; S59-R61 PolarHBondContact OG-N 3.08Å; S59-A62 PolarHBondContact N-O 3.41Å; S59-A62 PolarHBondContact O-N 3.41Å; S59-A62 WeakPolarHBondContact OG-CB 2.98Å; S59-A62 PolarHBondContact OG-N 3.09Å; S59-A62 VanDerWaalsContact OG-N 3.1Å; S59-I264 WeakPolarHBondContact CB-OXT 3.39Å; S59-I264 PolarHBondContact OG-OXT 2.91Å
60	T	98.1	Very high	97	Very high	50 Å²	50	28.3 Å²	28.3	31%	0.307	13%	0.131	S	C	.	.	S	Bend	trans	-62.8	-8.1	178.3	55.5	0	0	0	0	113.8	M135 V136 L138 V144	T60-M135 CarbonylContact O-C 3.59Å; T60-M135 WeakPolarHBondContact O-CA 3.4Å; T60-V136 PolarHBondContact O-N 3.29Å; T60-L138 HydrophobicContact CG2-CD1 4.12Å; T60-L138 HydrophobicContact CG2-CD2 4.44Å; T60-L138 HydrophobicContact CG2-CG 4.31Å; T60-V144 HydrophobicContact CG2-CG2 4.47Å
61	R	98	Very high	97.3	Very high	115 Å²	115	18.1 Å²	18.1	43%	0.434	9%	0.093	S	C	.	.	S	Bend	trans	-131.3	-2.7	175	-90.8	-174.1	-62.5	-174.3	1.1	115.2	S59 M131 L132 M135	S59-R61 PolarHBondContact O-N 3.48Å; S59-R61 PolarHBondContact OG-N 3.08Å; R61-M131 HydrophobicContact CB-CE 4.39Å; R61-M131 CarbonylContact O-C 3.44Å; R61-M131 WeakPolarHBondContact O-CA 3.3Å; R61-L132 PolarHBondContact O-N 2.87Å; R61-M135 HydrophobicContact CG-CB 4.35Å; R61-M135 HydrophobicContact CG-CG 3.74Å
62	A	98.7	Very high	97.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	125.8	-173.4	0	0	0	0	0	112	V58 S59 I129 M131 I264	V58-A62 HydrophobicContact CG2-CB 4.1Å; V58-A62 WeakPolarHBondContact CG2-O 3.49Å; V58-A62 PolarHBondContact N-O 3.49Å; S59-A62 PolarHBondContact N-O 3.41Å; S59-A62 PolarHBondContact O-N 3.41Å; S59-A62 WeakPolarHBondContact OG-CB 2.98Å; S59-A62 PolarHBondContact OG-N 3.09Å; S59-A62 VanDerWaalsContact OG-N 3.1Å; A62-I129 HydrophobicContact CB-CG2 3.75Å; A62-M131 HydrophobicContact CB-SD 4.24Å; A62-I264 HydrophobicContact CB-CB 3.87Å; A62-I264 HydrophobicContact CB-CG2 3.57Å
63	V	98.8	Very high	96.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.7	172.6	179.8	0	0	0	0	109.5	A44 L46 S56 L57 V79 F81 I129 V130 L132	A44-V63 HydrophobicContact CB-CG1 3.61Å; A44-V63 HydrophobicContact CB-CG2 4.47Å; L46-V63 HydrophobicContact CD2-CG1 4.2Å; S56-V63 CarbonylContact O-C 3.55Å; S56-V63 WeakPolarHBondContact O-CA 3.23Å; L57-V63 HydrophobicContact CD1-CG2 3.95Å; V63-V79 HydrophobicContact CG2-CG1 4.01Å; V63-F81 HydrophobicContact CG2-CE1 4.37Å; V63-F81 HydrophobicContact CG2-CZ 3.69Å; V63-I129 CarbonylContact O-C 3.56Å; V63-I129 WeakPolarHBondContact O-CA 3.1Å; V63-V130 HydrophobicContact CB-CB 4.39Å; V63-V130 PolarHBondContact N-O 2.83Å; V63-V130 PolarHBondContact O-N 2.84Å; V63-L132 HydrophobicContact CG2-CD1 4.29Å; V63-L132 HydrophobicContact CG2-CD2 4.07Å; V63-L132 HydrophobicContact CG2-CG 4.3Å
64	L	98.8	Very high	96.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.7	174.7	-171.4	65.7	0	0	0	110	G55 S56 V58 I127 I129 V230 V233 V253 V260	G55-L64 CarbonylContact C-O 3.56Å; G55-L64 WeakPolarHBondContact CA-O 3.39Å; S56-L64 PolarHBondContact N-O 2.86Å; S56-L64 PolarHBondContact O-N 2.04Å; V58-L64 HydrophobicContact CB-CB 4.49Å; V58-L64 HydrophobicContact CG1-CB 3.71Å; V58-L64 HydrophobicContact CG1-CD2 4.06Å; V58-L64 HydrophobicContact CG2-CB 3.92Å; L64-I127 HydrophobicContact CD1-CG2 3.6Å; L64-I129 HydrophobicContact CD1-CG1 4.14Å; L64-V230 HydrophobicContact CD2-CG1 4.17Å; L64-V233 HydrophobicContact CD2-CG1 4.14Å; L64-V233 HydrophobicContact CG-CG1 3.99Å; L64-V253 HydrophobicContact CD2-CG1 4.01Å; L64-V253 HydrophobicContact CD2-CG2 3.65Å; L64-V260 HydrophobicContact CD1-CG1 4.33Å; L64-V260 HydrophobicContact CD1-CG2 3.92Å
65	T	98.7	Very high	96.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	-173.9	179.9	-170	0	0	0	0	110.1	L46 T54 V70 A128 V130 G219	L46-T65 HydrophobicContact CD1-CG2 3.84Å; L46-T65 WeakPolarHBondContact CD1-OG1 3.02Å; T54-T65 PolarHBondContact O-OG1 3.02Å; T65-V70 HydrophobicContact CG2-CG1 4.23Å; T65-A128 HydrophobicContact CG2-CB 4.37Å; T65-A128 PolarHBondContact N-O 2.58Å; T65-A128 PolarHBondContact O-N 2.75Å; T65-V130 HydrophobicContact CG2-CG2 3.98Å; T65-G219 WeakPolarHBondContact OG1-CA 3.38Å
66	A	98	Very high	96.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.			trans	-82	149.4	175.6	0	0	0	0	0	111.7	H68 C69 D126 G219	A66-H68 PolarHBondContact O-N 2.99Å; A66-C69 WeakPolarHBondContact O-CB 3.3Å; A66-C69 PolarHBondContact O-N 3Å; A66-D126 WeakPolarHBondContact CA-O 3.26Å; A66-G219 VanDerWaalsContact N-CA 3.31Å
67	G	97.2	Very high	96.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-58.6	-45.4	174.5	0	0	0	0	0	112.2	C69 V70 C71 Y105 D126	G67-C69 PolarHBondContact O-N 3.19Å; G67-C69 VanDerWaalsContact O-N 3.07Å; G67-V70 VanDerWaalsContact O-CG2 3.28Å; G67-V70 WeakPolarHBondContact O-CG2 3.28Å; G67-V70 PolarHBondContact O-N 2.98Å; G67-C71 PolarHBondContact O-N 3.07Å; G67-C71 VanDerWaalsContact O-N 3.17Å; G67-C71 PolarHBondContact O-SG 3.26Å; G67-Y105 VanDerWaalsContact C-CE1 3.49Å; G67-D126 WeakPolarHBondContact CA-OD1 3.29Å; G67-D126 PolarHBondContact N-O 2.87Å; G67-D126 PolarHBondContact N-OD1 3.48Å
68	H	95.2	Very high	96.1	Very high	59 Å²	59	32.6 Å²	32.6	27%	0.273	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-60.8	-22.7	-179.2	71.9	-98.4	0	0	0	113.9	A66 V70 Y105 D126 S218 S235	A66-H68 PolarHBondContact O-N 2.99Å; H68-V70 VanDerWaalsContact C-N 3.28Å; H68-V70 PolarHBondContact O-N 3.44Å; H68-Y105 HydrophobicContact CB-CE1 4.41Å; H68-Y105 VanDerWaalsContact CB-OH 3.29Å; H68-Y105 WeakPolarHBondContact CB-OH 3.44Å; H68-D126 IonicContact CE1-OD2 3.6Å; H68-D126 IonicContact CG-OD2 3.7Å; H68-D126 PolarHBondContact N-OD1 3.48Å; H68-D126 IonicContact ND1-OD1 3.01Å; H68-D126 IonicContact ND1-OD2 3.65Å; H68-D126 PolarHBondContact ND1-OD2 2.86Å; H68-S218 PolarHBondContact CE1-OG 2.73Å; H68-S218 WeakPolarHBondContact NE2-CB 3.18Å; H68-S218 PolarHBondContact NE2-OG 3.1Å; H68-S235 PolarHBondContact CE1-O 3.33Å
69	C	96.6	Very high	96	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.027	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-67.8	-25.1	175.2	-69.4	0	0	0	0	113.5	C53 A66 G67 S218	C53-C69 HydrophobicContact CB-CB 3.73Å; C53-C69 WeakPolarHBondContact CB-SG 3.4Å; C53-C69 WeakPolarHBondContact SG-CB 3.39Å; C53-C69 CovalentContact SG-SG 2.04Å; C53-C69 PolarHBondContact SG-SG 2.87Å; A66-C69 WeakPolarHBondContact O-CB 3.3Å; A66-C69 PolarHBondContact O-N 3Å; G67-C69 PolarHBondContact O-N 3.19Å; G67-C69 VanDerWaalsContact O-N 3.07Å; C69-S218 VanDerWaalsContact SG-CB 3.58Å
70	V	96.6	Very high	96	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.055	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-0.9	-175.2	-56.8	0	0	0	0	113.8	T65 G67 H68 V76 V99 V101 A128 V130	T65-V70 HydrophobicContact CG2-CG1 4.23Å; G67-V70 VanDerWaalsContact O-CG2 3.28Å; G67-V70 WeakPolarHBondContact O-CG2 3.28Å; G67-V70 PolarHBondContact O-N 2.98Å; H68-V70 VanDerWaalsContact C-N 3.28Å; H68-V70 PolarHBondContact O-N 3.44Å; V70-V76 HydrophobicContact CG1-CG2 4.08Å; V70-V99 HydrophobicContact CB-CB 4.28Å; V70-V99 HydrophobicContact CB-CG1 4.03Å; V70-V99 HydrophobicContact CB-CG2 4.44Å; V70-V99 HydrophobicContact CG1-CB 4.5Å; V70-V99 HydrophobicContact CG1-CG1 3.95Å; V70-V99 HydrophobicContact CG2-CB 4.38Å; V70-V101 HydrophobicContact CG2-CG2 3.62Å; V70-A128 HydrophobicContact CG1-CB 4.45Å; V70-A128 HydrophobicContact CG2-CB 3.43Å; V70-A128 VanDerWaalsContact CG2-CB 3.43Å; V70-V130 HydrophobicContact CG1-CG2 3.68Å
71	C	94.4	Very high	96	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.149	C	C	.	.			trans	-93.5	-6.8	-179.1	-68.7	0	0	0	0	113.7	G67 C109 A112 R113	G67-C71 PolarHBondContact O-N 3.07Å; G67-C71 VanDerWaalsContact O-N 3.17Å; G67-C71 PolarHBondContact O-SG 3.26Å; C71-C109 HydrophobicContact CB-CB 3.81Å; C71-C109 WeakPolarHBondContact CB-SG 3.47Å; C71-C109 WeakPolarHBondContact SG-CA 3.19Å; C71-C109 WeakPolarHBondContact SG-CB 3.2Å; C71-C109 CovalentContact SG-SG 2.02Å; C71-C109 PolarHBondContact SG-SG 3.16Å; C71-A112 HydrophobicContact CB-CB 4.28Å; C71-R113 WeakPolarHBondContact O-CG 3.46Å
72	S	88	Confident	96	Very high	39 Å²	39	25.1 Å²	25.1	27%	0.273	14%	0.136	S	C	.	.	S	Bend	trans	-59.9	147.4	168.1	180	0	0	0	0	110.8	L74	S72-L74 PolarHBondContact O-N 3.47Å; S72-L74 VanDerWaalsContact O-N 3.17Å; S72-L74 PolarHBondContact OG-N 2.88Å
73	P	86.7	Confident	95.9	Very high	68 Å²	68	25.2 Å²	25.2	44%	0.442	14%	0.137	S	C	.	.	S	Bend	trans	-57.5	-21.4	167.2	-24	33.6	0	0	0	113.8
74	L	91.8	Very high	95.7	Very high	43 Å²	43	27.3 Å²	27.3	23%	0.225	15%	0.147	C	C	.	.	S	Bend	trans	-90.5	116.4	175.4	-60.4	175.3	0	0	0	109.2	E49 R50 S72	E49-L74 HydrophobicContact CB-CD1 4.41Å; R50-L74 HydrophobicContact CB-CD1 3.87Å; R50-L74 VanDerWaalsContact CD-CD1 3.44Å; R50-L74 HydrophobicContact CG-CD1 3.52Å; S72-L74 PolarHBondContact O-N 3.47Å; S72-L74 VanDerWaalsContact O-N 3.17Å; S72-L74 PolarHBondContact OG-N 2.88Å
75	P	94.5	Very high	95.4	Very high	81 Å²	81	33.2 Å²	33.2	53%	0.526	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-70	160.4	-177.4	30.4	-35.2	0	0	0	111.3	T48 I77	T48-P75 WeakPolarHBondContact CB-O 3.36Å; T48-P75 WeakPolarHBondContact CG2-O 3.35Å; P75-I77 HydrophobicContact CG-CG2 4.48Å; P75-I77 PolarHBondContact O-N 2.77Å
76	V	97	Very high	95	Very high	12 Å²	12	37.9 Å²	37.9	7%	0.073	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-62.2	127	161.5	180	0	0	0	0	107.2	L46 T47 T48 V70 V79 P96 V130	L46-V76 HydrophobicContact CB-CG1 4.4Å; T47-V76 CarbonylContact O-C 3.51Å; T47-V76 WeakPolarHBondContact O-CA 3.39Å; T48-V76 HydrophobicContact CG2-CG2 4.39Å; V70-V76 HydrophobicContact CG1-CG2 4.08Å; V76-V79 HydrophobicContact CG1-CG2 4.27Å; V76-P96 HydrophobicContact CB-CG 4.43Å; V76-P96 HydrophobicContact CG1-CG 4.29Å; V76-P96 WeakPolarHBondContact O-CG 3.45Å; V76-V130 HydrophobicContact CG2-CG2 4.45Å
77	I	96.9	Very high	94.5	Very high	71 Å²	71	40.1 Å²	40.1	36%	0.364	22%	0.218	S	C	.	.			trans	-108	-16.2	-177.8	61.1	170.9	0	0	0	112.4	T47 E49 P75 Q95	T47-I77 WeakPolarHBondContact O-CG1 3.46Å; T47-I77 PolarHBondContact O-N 2.87Å; E49-I77 HydrophobicContact CG-CD1 4.4Å; P75-I77 HydrophobicContact CG-CG2 4.48Å; P75-I77 PolarHBondContact O-N 2.77Å; I77-Q95 PolarHBondContact O-OE1 3.3Å
78	R	96.9	Very high	94	Very high	105 Å²	105	41.8 Å²	41.8	40%	0.396	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	139.4	178.3	-179.1	-175.3	-62.7	162.6	0.3	110.9	T47 S80 H93	T47-R78 PolarHBondContact N-O 3.39Å; T47-R78 PolarHBondContact O-N 3.11Å; T47-R78 WeakPolarHBondContact OG1-CB 2.9Å; T47-R78 PolarHBondContact OG1-O 3.34Å; R78-S80 WeakPolarHBondContact CD-OG 3.34Å; R78-H93 HydrophobicContact CG-CB 4.38Å
79	V	98	Very high	93.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	122.4	168	-177.1	0	0	0	0	107.5	A44 L46 V63 V76 F81 H94 V130 L132	A44-V79 HydrophobicContact CB-CG1 3.99Å; L46-V79 HydrophobicContact CD2-CB 4.11Å; L46-V79 HydrophobicContact CD2-CG1 3.77Å; L46-V79 HydrophobicContact CD2-CG2 3.68Å; V63-V79 HydrophobicContact CG2-CG1 4.01Å; V76-V79 HydrophobicContact CG1-CG2 4.27Å; V79-F81 HydrophobicContact CG1-CE1 4.48Å; V79-F81 HydrophobicContact CG1-CE2 3.71Å; V79-F81 HydrophobicContact CG1-CZ 3.68Å; V79-H94 HydrophobicContact CB-CB 4.44Å; V79-H94 PolarHBondContact N-O 2.95Å; V79-H94 PolarHBondContact O-N 3.44Å; V79-V130 HydrophobicContact CG2-CG1 4.04Å; V79-L132 HydrophobicContact CB-CD2 3.82Å; V79-L132 HydrophobicContact CG1-CD2 3.93Å; V79-L132 HydrophobicContact CG2-CD2 3.7Å
80	S	97.9	Very high	93.3	Very high	5 Å²	5	54.8 Å²	54.8	4%	0.035	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.9	179.1	-49.5	0	0	0	0	111.3	A44 F45 R78 I92 H93	A44-S80 WeakPolarHBondContact CA-O 3.48Å; F45-S80 PolarHBondContact N-O 2.89Å; F45-S80 PolarHBondContact O-N 2.84Å; R78-S80 WeakPolarHBondContact CD-OG 3.34Å; S80-I92 CarbonylContact C-O 3.59Å; S80-I92 WeakPolarHBondContact CA-O 3.44Å; S80-H93 WeakPolarHBondContact CB-ND1 3.38Å; S80-H93 PolarHBondContact OG-ND1 2.89Å
81	F	98.1	Very high	93.3	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	165	173.4	-59.7	-80.6	0	0	0	110.6	I43 A44 L57 V63 V79 T83 G91 I92 H94 L132 V136 I142	I43-F81 WeakPolarHBondContact O-CD1 3.49Å; A44-F81 HydrophobicContact CB-CD1 4.24Å; A44-F81 HydrophobicContact CB-CE1 3.62Å; A44-F81 HydrophobicContact CB-CZ 4.13Å; L57-F81 HydrophobicContact CB-CE1 3.81Å; L57-F81 HydrophobicContact CB-CZ 4.25Å; L57-F81 HydrophobicContact CD1-CE1 4.21Å; L57-F81 HydrophobicContact CD1-CZ 3.78Å; L57-F81 HydrophobicContact CG-CE1 4.43Å; L57-F81 HydrophobicContact CG-CZ 4.45Å; V63-F81 HydrophobicContact CG2-CE1 4.37Å; V63-F81 HydrophobicContact CG2-CZ 3.69Å; V79-F81 HydrophobicContact CG1-CE1 4.48Å; V79-F81 HydrophobicContact CG1-CE2 3.71Å; V79-F81 HydrophobicContact CG1-CZ 3.68Å; F81-T83 PolarHBondContact O-N 2.87Å; F81-T83 VanDerWaalsContact O-N 3.16Å; F81-G91 WeakPolarHBondContact O-CA 3.33Å; F81-I92 PolarHBondContact N-O 2.92Å; F81-I92 PolarHBondContact O-N 3.16Å; F81-H94 AromaticContact CD2-CD2 3.89Å; F81-L132 HydrophobicContact CE2-CD1 4.03Å; F81-L132 HydrophobicContact CZ-CD1 4.24Å; F81-V136 HydrophobicContact CE2-CG2 4.09Å; F81-I142 HydrophobicContact CB-CD1 3.61Å; F81-I142 HydrophobicContact CB-CG1 3.79Å; F81-I142 HydrophobicContact CB-CG2 4.46Å; F81-I142 HydrophobicContact CD1-CG2 4.22Å; F81-I142 HydrophobicContact CD2-CD1 4.02Å; F81-I142 HydrophobicContact CG-CD1 3.96Å; F81-I142 HydrophobicContact CG-CG1 4.34Å; F81-I142 HydrophobicContact CG-CG2 4.24Å
82	L	97.3	Very high	93.4	Very high	30 Å²	30	57.1 Å²	57.1	16%	0.157	30%	0.301	C	S	.	.	S	Bend	trans	50.7	38.2	179.9	-56.6	-177.6	0	0	0	112.9	P37 P41 I92 S140 I142	P37-L82 HydrophobicContact CB-CB 4.04Å; P37-L82 HydrophobicContact CB-CD2 4.26Å; P41-L82 HydrophobicContact CB-CD2 4.22Å; L82-I92 HydrophobicContact CD1-CD1 3.9Å; L82-S140 WeakPolarHBondContact CD1-O 3.38Å; L82-I142 HydrophobicContact CD1-CG1 3.94Å; L82-I142 HydrophobicContact CD2-CG1 4.49Å; L82-I142 HydrophobicContact CG-CG1 3.85Å
83	T	96	Very high	93.8	Very high	3 Å²	3	58.9 Å²	58.9	2%	0.018	31%	0.305	C	S	.	.			trans	-118.3	128.7	-179.7	172.4	0	0	0	0	110.1	F45 F81 R85 D88 Y165	F45-T83 HydrophobicContact CB-CG2 3.92Å; F81-T83 PolarHBondContact O-N 2.87Å; F81-T83 VanDerWaalsContact O-N 3.16Å; T83-R85 PolarHBondContact OG1-N 2.89Å; T83-R85 PolarHBondContact OG1-O 3.18Å; T83-D88 WeakPolarHBondContact CA-OD2 3.26Å; T83-D88 VanDerWaalsContact OG1-CB 3.26Å; T83-D88 WeakPolarHBondContact OG1-CB 3.36Å; T83-Y165 HydrophobicContact CG2-CE1 4.36Å; T83-Y165 WeakPolarHBondContact O-CE1 3.04Å; T83-Y165 PolarHBondContact O-OH 2.91Å
84	L	94.5	Very high	94.3	Very high	43 Å²	43	56.6 Å²	56.6	23%	0.225	29%	0.288	C	S	.	.	S	Bend	trans	-87.2	-19	175.1	-66.9	-179.2	0	0	0	112.4	V34 Q35 P37 D88 I181 L182	V34-L84 HydrophobicContact CB-CD2 4.01Å; V34-L84 HydrophobicContact CG1-CD2 3.78Å; Q35-L84 WeakPolarHBondContact O-CD1 3.13Å; P37-L84 HydrophobicContact CB-CD2 4.44Å; P37-L84 HydrophobicContact CG-CD1 4.39Å; P37-L84 HydrophobicContact CG-CD2 4.24Å; P37-L84 HydrophobicContact CG-CG 3.95Å; L84-D88 PolarHBondContact N-OD2 3.35Å; L84-I181 WeakPolarHBondContact O-CA 3.16Å; L84-L182 HydrophobicContact CD2-CD2 4.29Å; L84-L182 PolarHBondContact O-N 3.13Å
85	R	93.4	Very high	94.6	Very high	125 Å²	125	59.8 Å²	59.8	47%	0.472	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-152.7	155.6	-177.2	71.7	-170.3	-42.6	-175.9	8.3	114.4	T83 G87 D88 G180 I181	T83-R85 PolarHBondContact OG1-N 2.89Å; T83-R85 PolarHBondContact OG1-O 3.18Å; R85-G87 PolarHBondContact O-N 2.9Å; R85-D88 HydrophobicContact CG-CB 4.17Å; R85-D88 WeakPolarHBondContact O-CB 3.36Å; R85-D88 PolarHBondContact O-N 2.84Å; R85-D88 VanDerWaalsContact O-N 3.08Å; R85-G180 CarbonylContact C-O 3.52Å; R85-G180 WeakPolarHBondContact CA-O 3.01Å; R85-G180 WeakPolarHBondContact CB-O 3.28Å; R85-I181 HydrophobicContact CB-CG1 4.01Å
86	N	90.6	Very high	94.8	Very high	97 Å²	97	57.5 Å²	57.5	52%	0.519	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	134.9	171.1	-174.6	22.5	0	0	0	110.3	F45 D88 G180	F45-N86 HydrophobicContact CE1-CB 3.76Å; F45-N86 WeakPolarHBondContact CE1-OD1 3.34Å; F45-N86 HydrophobicContact CZ-CB 3.83Å; N86-D88 VanDerWaalsContact C-N 3.28Å; N86-D88 PolarHBondContact O-N 2.8Å; N86-G180 PolarHBondContact N-O 2.91Å
87	G	86.5	Confident	94.8	Very high	47 Å²	47	60.8 Å²	60.8	49%	0.485	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	4.1	-176.9	0	0	0	0	0	115	R85 Q89	R85-G87 PolarHBondContact O-N 2.9Å; G87-Q89 PolarHBondContact O-N 2.95Å; G87-Q89 VanDerWaalsContact O-N 3.09Å; G87-Q89 PolarHBondContact O-NE2 2.91Å
88	D	88.3	Confident	94.8	Very high	35 Å²	35	58.9 Å²	58.9	19%	0.187	31%	0.308	C	S	.	.			trans	-62.1	109.8	172.2	-175.8	0.3	0	0	0	110.8	T83 L84 R85 N86 Q90 G91 H93	T83-D88 WeakPolarHBondContact CA-OD2 3.26Å; T83-D88 VanDerWaalsContact OG1-CB 3.26Å; T83-D88 WeakPolarHBondContact OG1-CB 3.36Å; L84-D88 PolarHBondContact N-OD2 3.35Å; R85-D88 HydrophobicContact CG-CB 4.17Å; R85-D88 WeakPolarHBondContact O-CB 3.36Å; R85-D88 PolarHBondContact O-N 2.84Å; R85-D88 VanDerWaalsContact O-N 3.08Å; N86-D88 VanDerWaalsContact C-N 3.28Å; N86-D88 PolarHBondContact O-N 2.8Å; D88-Q90 VanDerWaalsContact C-N 3.26Å; D88-Q90 PolarHBondContact O-N 3.47Å; D88-Q90 PolarHBondContact OD1-N 2.61Å; D88-G91 PolarHBondContact O-N 3.17Å; D88-H93 PolarHBondContact O-CE1 3.32Å; D88-H93 PolarHBondContact O-NE2 3.1Å
89	Q	86.9	Confident	94.9	Very high	155 Å²	155	56.5 Å²	56.5	72%	0.724	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-13.1	-178.3	-57	-58.9	-61.3	0	0	112.8	G87	G87-Q89 PolarHBondContact O-N 2.95Å; G87-Q89 VanDerWaalsContact O-N 3.09Å; G87-Q89 PolarHBondContact O-NE2 2.91Å
90	Q	90.3	Very high	94.9	Very high	181 Å²	181	61.3 Å²	61.3	85%	0.846	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-9.3	177.5	-58.8	-173.4	12	0	0	112.3	D88	D88-Q90 VanDerWaalsContact C-N 3.26Å; D88-Q90 PolarHBondContact O-N 3.47Å; D88-Q90 PolarHBondContact OD1-N 2.61Å
91	G	94.6	Very high	94.9	Very high	9 Å²	9	62 Å²	62	9%	0.093	33%	0.33	C	S	.	.	S	Bend	trans	-65.2	162.7	173.2	0	0	0	0	0	112.6	F81 D88 H93	F81-G91 WeakPolarHBondContact O-CA 3.33Å; D88-G91 PolarHBondContact O-N 3.17Å; G91-H93 PolarHBondContact O-NE2 3.32Å
92	I	97	Very high	94.9	Very high	51 Å²	51	62 Å²	62	26%	0.262	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	118.3	177.9	-60	179	0	0	0	108.7	S80 F81 L82 I142	S80-I92 CarbonylContact C-O 3.59Å; S80-I92 WeakPolarHBondContact CA-O 3.44Å; F81-I92 PolarHBondContact N-O 2.92Å; F81-I92 PolarHBondContact O-N 3.16Å; L82-I92 HydrophobicContact CD1-CD1 3.9Å; I92-I142 HydrophobicContact CB-CD1 4.03Å; I92-I142 HydrophobicContact CD1-CD1 3.82Å; I92-I142 HydrophobicContact CD1-CG1 4.27Å; I92-I142 HydrophobicContact CG1-CD1 4.49Å; I92-I142 HydrophobicContact CG2-CD1 3.95Å
93	H	96.8	Very high	94.9	Very high	75 Å²	75	65 Å²	65	35%	0.347	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	129.6	-171.5	-52	-60.2	0	0	0	111.8	R78 S80 D88 G91	R78-H93 HydrophobicContact CG-CB 4.38Å; S80-H93 WeakPolarHBondContact CB-ND1 3.38Å; S80-H93 PolarHBondContact OG-ND1 2.89Å; D88-H93 PolarHBondContact O-CE1 3.32Å; D88-H93 PolarHBondContact O-NE2 3.1Å; G91-H93 PolarHBondContact O-NE2 3.32Å
94	H	97.9	Very high	94.9	Very high	21 Å²	21	66.3 Å²	66.3	10%	0.097	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.6	175.5	-72.5	-102.7	0	0	0	110.6	V79 F81 L132	V79-H94 HydrophobicContact CB-CB 4.44Å; V79-H94 PolarHBondContact N-O 2.95Å; V79-H94 PolarHBondContact O-N 3.44Å; F81-H94 AromaticContact CD2-CD2 3.89Å; H94-L132 HydrophobicContact CB-CD1 4.42Å; H94-L132 HydrophobicContact CB-CD2 4Å
95	Q	97.9	Very high	95	Very high	110 Å²	110	65 Å²	65	51%	0.514	36%	0.358	S	S	.	.			trans	-89.3	138	170.2	-67.2	-61.4	-35.6	0	0	109.9	I77 A133	I77-Q95 PolarHBondContact O-OE1 3.3Å; Q95-A133 HydrophobicContact CB-CB 4.24Å; Q95-A133 WeakPolarHBondContact O-CB 3.37Å; Q95-A133 PolarHBondContact O-N 3.31Å
96	P	98	Very high	95.1	Very high	32 Å²	32	61.7 Å²	61.7	21%	0.208	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	147.6	169.8	29.1	-28.9	0	0	0	111	V76 V130 M131	V76-P96 HydrophobicContact CB-CG 4.43Å; V76-P96 HydrophobicContact CG1-CG 4.29Å; V76-P96 WeakPolarHBondContact O-CG 3.45Å; P96-V130 HydrophobicContact CB-CG1 3.69Å; P96-M131 CarbonylContact C-O 3.6Å; P96-M131 VanDerWaalsContact CA-O 3.27Å; P96-M131 WeakPolarHBondContact CA-O 3.29Å
97	S	97.7	Very high	95.3	Very high	81 Å²	81	60.7 Å²	60.7	57%	0.566	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	-15.2	174.4	55.5	0	0	0	0	113.6	M131 L132	S97-M131 PolarHBondContact N-O 3.12Å; S97-M131 WeakPolarHBondContact OG-CB 3.2Å; S97-M131 PolarHBondContact OG-O 2.9Å; S97-L132 PolarHBondContact OG-O 3.27Å
98	G	97.1	Very high	95.7	Very high	31 Å²	31	58.7 Å²	58.7	32%	0.32	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	173.4	176.1	178.8	0	0	0	0	0	112.4	M131	G98-M131 PolarHBondContact O-N 3Å
99	V	97.7	Very high	96.1	Very high	55 Å²	55	57 Å²	57	33%	0.333	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	146.5	178.2	-58.4	0	0	0	0	111.2	V70 I129 V130	V70-V99 HydrophobicContact CB-CB 4.28Å; V70-V99 HydrophobicContact CB-CG1 4.03Å; V70-V99 HydrophobicContact CB-CG2 4.44Å; V70-V99 HydrophobicContact CG1-CB 4.5Å; V70-V99 HydrophobicContact CG1-CG1 3.95Å; V70-V99 HydrophobicContact CG2-CB 4.38Å; V99-I129 CarbonylContact C-O 3.49Å; V99-I129 VanDerWaalsContact CA-O 3.26Å; V99-I129 WeakPolarHBondContact CA-O 3.38Å; V99-V130 HydrophobicContact CG1-CG2 4.2Å
100	K	98.1	Very high	96.5	Very high	102 Å²	102	53.5 Å²	53.5	44%	0.443	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	127.2	170.4	-55.7	-66.1	-173	175.6	0	107.6	A128 I129 F259 N263	K100-A128 CarbonylContact O-C 3.54Å; K100-A128 WeakPolarHBondContact O-CA 3.23Å; K100-A128 VanDerWaalsContact O-CB 3.26Å; K100-A128 WeakPolarHBondContact O-CB 3.38Å; K100-I129 HydrophobicContact CB-CB 4.32Å; K100-I129 PolarHBondContact N-O 3.42Å; K100-I129 PolarHBondContact O-N 2.88Å; K100-F259 HydrophobicContact CB-CE2 4.46Å; K100-F259 HydrophobicContact CB-CZ 4.13Å; K100-N263 HydrophobicContact CB-CB 4.32Å; K100-N263 WeakPolarHBondContact CD-OD1 3.21Å; K100-N263 HydrophobicContact CG-CB 4.2Å; K100-N263 WeakPolarHBondContact CG-OD1 3.02Å
101	V	98.1	Very high	96.6	Very high	19 Å²	19	46.2 Å²	46.2	12%	0.115	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	136.8	-179.8	-179.8	0	0	0	0	108.2	V70 Y105 M106 C109 A128 F259	V70-V101 HydrophobicContact CG2-CG2 3.62Å; V101-Y105 HydrophobicContact CG1-CD1 3.97Å; V101-M106 HydrophobicContact CB-SD 3.67Å; V101-M106 HydrophobicContact CG1-SD 3.76Å; V101-M106 HydrophobicContact CG2-SD 4.48Å; V101-C109 HydrophobicContact CG1-CB 4.35Å; V101-A128 HydrophobicContact CG2-CB 4.19Å; V101-F259 VanDerWaalsContact C-CZ 3.47Å
102	A	98	Very high	96.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.278	C	S	.	.			trans	-55.9	132.3	178.2	0	0	0	0	0	110.8	G104 Y105 M106 F125 I127 M256 F259	A102-G104 PolarHBondContact O-N 3.21Å; A102-Y105 PolarHBondContact O-N 2.88Å; A102-M106 PolarHBondContact O-N 2.72Å; A102-F125 WeakPolarHBondContact CB-O 3.35Å; A102-I127 HydrophobicContact CB-CB 4.31Å; A102-I127 WeakPolarHBondContact CB-O 3.41Å; A102-I127 PolarHBondContact N-O 2.69Å; A102-M256 HydrophobicContact CB-CE 3.46Å; A102-M256 VanDerWaalsContact CB-CE 3.46Å; A102-F259 HydrophobicContact CB-CD1 4Å; A102-F259 HydrophobicContact CB-CD2 4.44Å; A102-F259 HydrophobicContact CB-CE1 4.01Å; A102-F259 HydrophobicContact CB-CE2 4.45Å; A102-F259 HydrophobicContact CB-CG 4.22Å; A102-F259 HydrophobicContact CB-CZ 4.24Å; A102-F259 VanDerWaalsContact N-CZ 3.3Å
103	P	96.8	Very high	96.3	Very high	94 Å²	94	50 Å²	50	61%	0.61	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-54.1	-39.7	-177.2	-29.6	35.4	0	0	0	113.7	Y105 M106	P103-Y105 PolarHBondContact O-N 3.01Å; P103-M106 WeakPolarHBondContact O-CB 3.29Å; P103-M106 PolarHBondContact O-N 3.12Å; P103-M106 VanDerWaalsContact O-N 3.13Å
104	G	95.9	Very high	96.2	Very high	30 Å²	30	51 Å²	51	31%	0.309	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-62.6	-20.3	177.2	0	0	0	0	0	114.4	A102 L122	A102-G104 PolarHBondContact O-N 3.21Å; G104-L122 WeakPolarHBondContact O-CD1 3.33Å
105	Y	97.1	Very high	95.8	Very high	16 Å²	16	60.3 Å²	60.3	6%	0.063	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-96.4	-12.5	177.6	-163.3	-104.3	0	0	0	113.8	G67 H68 V101 A102 P103 P107 S108 C109 L122 F125 D126	G67-Y105 VanDerWaalsContact C-CE1 3.49Å; H68-Y105 HydrophobicContact CB-CE1 4.41Å; H68-Y105 VanDerWaalsContact CB-OH 3.29Å; H68-Y105 WeakPolarHBondContact CB-OH 3.44Å; V101-Y105 HydrophobicContact CG1-CD1 3.97Å; A102-Y105 PolarHBondContact O-N 2.88Å; P103-Y105 PolarHBondContact O-N 3.01Å; Y105-P107 VanDerWaalsContact C-N 3.31Å; Y105-S108 PolarHBondContact O-N 3.35Å; Y105-S108 VanDerWaalsContact O-N 3.1Å; Y105-C109 HydrophobicContact CD1-CB 4.29Å; Y105-C109 PolarHBondContact O-N 2.83Å; Y105-L122 HydrophobicContact CD2-CB 3.9Å; Y105-L122 HydrophobicContact CE2-CB 4.2Å; Y105-F125 WeakPolarHBondContact CB-O 3.28Å; Y105-D126 VanDerWaalsContact CD2-CA 3.44Å; Y105-D126 HydrophobicContact CD2-CB 3.69Å; Y105-D126 HydrophobicContact CE2-CB 3.56Å; Y105-D126 WeakPolarHBondContact CE2-OD1 3.37Å; Y105-D126 HydrophobicContact CG-CB 4.47Å; Y105-D126 VanDerWaalsContact CZ-OD1 3.22Å
106	M	95.8	Very high	95.6	Very high	55 Å²	55	62.6 Å²	62.6	27%	0.271	33%	0.328	S	S	.	.	H	α-helix	trans	-54.3	-36	-177.4	-77.4	-55	-38.5	0	0	114.9	V101 A102 P103 S108 C109 M110	V101-M106 HydrophobicContact CB-SD 3.67Å; V101-M106 HydrophobicContact CG1-SD 3.76Å; V101-M106 HydrophobicContact CG2-SD 4.48Å; A102-M106 PolarHBondContact O-N 2.72Å; P103-M106 WeakPolarHBondContact O-CB 3.29Å; P103-M106 PolarHBondContact O-N 3.12Å; P103-M106 VanDerWaalsContact O-N 3.13Å; M106-S108 PolarHBondContact O-N 3.27Å; M106-C109 HydrophobicContact CE-CB 3.85Å; M106-C109 WeakPolarHBondContact O-CB 3.47Å; M106-C109 PolarHBondContact O-N 3.2Å; M106-C109 HydrophobicContact SD-CB 4.2Å; M106-M110 HydrophobicContact CE-CG 3.79Å; M106-M110 HydrophobicContact CE-SD 3.92Å; M106-M110 WeakPolarHBondContact O-CB 3.45Å; M106-M110 WeakPolarHBondContact O-CG 3.06Å; M106-M110 PolarHBondContact O-N 3.12Å
107	P	95.2	Very high	95.2	Very high	76 Å²	76	66.9 Å²	66.9	49%	0.494	36%	0.356	S	S	.	.	H	α-helix	trans	-58.3	-45.3	175.3	-26.6	36.2	0	0	0	113.5	Y105 S111 L122	Y105-P107 VanDerWaalsContact C-N 3.31Å; P107-S111 PolarHBondContact O-N 2.96Å; P107-S111 VanDerWaalsContact O-N 3.11Å; P107-S111 PolarHBondContact O-OG 2.97Å; P107-L122 HydrophobicContact CB-CD1 4.2Å; P107-L122 HydrophobicContact CG-CD1 4.41Å
108	S	95.1	Very high	94.8	Very high	4 Å²	4	67.1 Å²	67.1	3%	0.028	35%	0.35	C	S	.	.	H	α-helix	trans	-68.1	-38.2	175	-64.8	0	0	0	0	111.2	Y105 M106 S111 A112 L122	Y105-S108 PolarHBondContact O-N 3.35Å; Y105-S108 VanDerWaalsContact O-N 3.1Å; M106-S108 PolarHBondContact O-N 3.27Å; S108-S111 PolarHBondContact O-N 3Å; S108-A112 WeakPolarHBondContact O-CB 3.03Å; S108-A112 PolarHBondContact O-N 3.26Å; S108-L122 VanDerWaalsContact OG-CD1 3.3Å; S108-L122 WeakPolarHBondContact OG-CD1 3.47Å
109	C	95.2	Very high	94.2	Very high	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-60.7	-46.9	177.2	-161.9	0	0	0	0	112.8	C71 V101 Y105 M106 A112 R113	C71-C109 HydrophobicContact CB-CB 3.81Å; C71-C109 WeakPolarHBondContact CB-SG 3.47Å; C71-C109 WeakPolarHBondContact SG-CA 3.19Å; C71-C109 WeakPolarHBondContact SG-CB 3.2Å; C71-C109 CovalentContact SG-SG 2.02Å; C71-C109 PolarHBondContact SG-SG 3.16Å; V101-C109 HydrophobicContact CG1-CB 4.35Å; Y105-C109 HydrophobicContact CD1-CB 4.29Å; Y105-C109 PolarHBondContact O-N 2.83Å; M106-C109 HydrophobicContact CE-CB 3.85Å; M106-C109 WeakPolarHBondContact O-CB 3.47Å; M106-C109 PolarHBondContact O-N 3.2Å; M106-C109 HydrophobicContact SD-CB 4.2Å; C109-A112 PolarHBondContact O-N 2.95Å; C109-R113 WeakPolarHBondContact O-CG 3.49Å; C109-R113 PolarHBondContact O-N 2.89Å
110	M	95	Very high	93.6	Very high	81 Å²	81	73 Å²	73	40%	0.399	38%	0.384	S	S	.	.	H	α-helix	trans	-65.5	-40.1	178.2	-71.3	-57.8	-65.7	0	0	111.6	M106 R113 Q114	M106-M110 HydrophobicContact CE-CG 3.79Å; M106-M110 HydrophobicContact CE-SD 3.92Å; M106-M110 WeakPolarHBondContact O-CB 3.45Å; M106-M110 WeakPolarHBondContact O-CG 3.06Å; M106-M110 PolarHBondContact O-N 3.12Å; M110-R113 PolarHBondContact O-N 2.84Å; M110-Q114 WeakPolarHBondContact O-CB 3.42Å; M110-Q114 VanDerWaalsContact O-CG 3.29Å; M110-Q114 WeakPolarHBondContact O-CG 3.45Å; M110-Q114 PolarHBondContact O-N 2.95Å
111	S	94.4	Very high	93	Very high	29 Å²	29	71.6 Å²	71.6	20%	0.203	38%	0.384	C	S	.	.	H	α-helix	trans	-60	-46.7	174.7	-58.1	0	0	0	0	111	P107 S108 Q114 R115 R116	P107-S111 PolarHBondContact O-N 2.96Å; P107-S111 VanDerWaalsContact O-N 3.11Å; P107-S111 PolarHBondContact O-OG 2.97Å; S108-S111 PolarHBondContact O-N 3Å; S111-Q114 CarbonylContact O-C 3.54Å; S111-Q114 PolarHBondContact O-N 3.02Å; S111-R115 PolarHBondContact O-N 3.31Å; S111-R116 PolarHBondContact O-N 2.72Å
112	A	92.8	Very high	92.7	Very high	32 Å²	32	71.1 Å²	71.1	26%	0.264	38%	0.38	S	S	.	.	H	α-helix	trans	-60.6	-46.7	176.5	0	0	0	0	0	112.6	C71 S108 C109 Q114 R115	C71-A112 HydrophobicContact CB-CB 4.28Å; S108-A112 WeakPolarHBondContact O-CB 3.03Å; S108-A112 PolarHBondContact O-N 3.26Å; C109-A112 PolarHBondContact O-N 2.95Å; A112-Q114 VanDerWaalsContact C-N 3.29Å; A112-Q114 PolarHBondContact O-N 3.06Å; A112-R115 PolarHBondContact O-N 3.24Å
113	R	92.5	Very high	92.2	Very high	107 Å²	107	71.3 Å²	71.3	40%	0.404	38%	0.381	S	S	.	.	H	α-helix	trans	-60.2	-38.2	177.2	-72	179	177.3	174.8	-0.1	112.7	C71 C109 M110 R115	C71-R113 WeakPolarHBondContact O-CG 3.46Å; C109-R113 WeakPolarHBondContact O-CG 3.49Å; C109-R113 PolarHBondContact O-N 2.89Å; M110-R113 PolarHBondContact O-N 2.84Å; R113-R115 VanDerWaalsContact C-N 3.27Å; R113-R115 PolarHBondContact O-N 3.01Å
114	Q	93.2	Very high	92.1	Very high	95 Å²	95	66.9 Å²	66.9	44%	0.444	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	2.1	178.1	-66.4	176.4	-4.7	0	0	113.3	M110 S111 A112 R116	M110-Q114 WeakPolarHBondContact O-CB 3.42Å; M110-Q114 VanDerWaalsContact O-CG 3.29Å; M110-Q114 WeakPolarHBondContact O-CG 3.45Å; M110-Q114 PolarHBondContact O-N 2.95Å; S111-Q114 CarbonylContact O-C 3.54Å; S111-Q114 PolarHBondContact O-N 3.02Å; A112-Q114 VanDerWaalsContact C-N 3.29Å; A112-Q114 PolarHBondContact O-N 3.06Å; Q114-R116 HydrophobicContact CB-CG 3.98Å; Q114-R116 PolarHBondContact O-N 3.05Å; Q114-R116 VanDerWaalsContact OE1-CZ 3.23Å
115	R	90.3	Very high	92.2	Very high	217 Å²	217	68.5 Å²	68.5	82%	0.819	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	35.5	-174.4	-55.4	-178.7	-179.4	175.5	0.7	113.1	S111 A112 R113	S111-R115 PolarHBondContact O-N 3.31Å; A112-R115 PolarHBondContact O-N 3.24Å; R113-R115 VanDerWaalsContact C-N 3.27Å; R113-R115 PolarHBondContact O-N 3.01Å
116	R	92.6	Very high	92.2	Very high	159 Å²	159	67.8 Å²	67.8	60%	0.6	35%	0.349	S	S	*	.			trans	-93.6	150.5	174.9	-67.7	-179	178.4	-179.4	-1	110.5	S111 Q114 I118	S111-R116 PolarHBondContact O-N 2.72Å; Q114-R116 HydrophobicContact CB-CG 3.98Å; Q114-R116 PolarHBondContact O-N 3.05Å; Q114-R116 VanDerWaalsContact OE1-CZ 3.23Å; R116-I118 PolarHBondContact O-N 2.71Å
117	P	91	Very high	92.3	Very high	121 Å²	121	65.2 Å²	65.2	79%	0.786	34%	0.336	S	S	*	.			trans	-56.3	136.8	172.1	-23.1	33.8	0	0	0	111.4	A119	P117-A119 PolarHBondContact O-N 2.75Å
118	I	88.2	Confident	92.5	Very high	87 Å²	87	61.6 Å²	61.6	45%	0.446	31%	0.313	S	S	.	.			trans	-82.4	114.7	172.2	-64.4	171.3	0	0	0	107.1	R116 Q120	R116-I118 PolarHBondContact O-N 2.71Å; I118-Q120 VanDerWaalsContact CG2-O 3.23Å; I118-Q120 WeakPolarHBondContact CG2-O 3.34Å
119	A	84.3	Confident	92.7	Very high	106 Å²	106	61.4 Å²	61.4	88%	0.876	31%	0.311	S	S	*	.			trans	-74.5	-27.5	-174.1	0	0	0	0	0	113.8	P117	P117-A119 PolarHBondContact O-N 2.75Å
120	Q	85.6	Confident	92.8	Very high	104 Å²	104	61.4 Å²	61.4	49%	0.486	31%	0.311	S	S	.	.	S	Bend	trans	-147	143.4	-177	64.5	-175.3	3.3	0	0	111.1	I118 L122	I118-Q120 VanDerWaalsContact CG2-O 3.23Å; I118-Q120 WeakPolarHBondContact CG2-O 3.34Å; Q120-L122 HydrophobicContact CG-CD2 3.85Å; Q120-L122 HydrophobicContact CG-CG 4.09Å
121	T	85.3	Confident	93	Very high	72 Å²	72	59.3 Å²	59.3	44%	0.442	30%	0.301	S	S	.	.			trans	-77.7	124.9	174.6	-50	0	0	0	0	110	S123 N197 H236	T121-S123 WeakPolarHBondContact CG2-OG 3.1Å; T121-N197 WeakPolarHBondContact O-CB 3.4Å; T121-N197 PolarHBondContact O-ND2 2.98Å; T121-H236 WeakPolarHBondContact CG2-CE1 3.3Å; T121-H236 WeakPolarHBondContact CG2-NE2 3.38Å
122	L	92.1	Very high	93.2	Very high	9 Å²	9	58 Å²	58	5%	0.047	29%	0.292	C	S	.	.			trans	-111.4	40.9	-175.7	-66.2	-177.6	0	0	0	111.8	G104 Y105 P107 S108 Q120 G124 F125 D126 N197	G104-L122 WeakPolarHBondContact O-CD1 3.33Å; Y105-L122 HydrophobicContact CD2-CB 3.9Å; Y105-L122 HydrophobicContact CE2-CB 4.2Å; P107-L122 HydrophobicContact CB-CD1 4.2Å; P107-L122 HydrophobicContact CG-CD1 4.41Å; S108-L122 VanDerWaalsContact OG-CD1 3.3Å; S108-L122 WeakPolarHBondContact OG-CD1 3.47Å; Q120-L122 HydrophobicContact CG-CD2 3.85Å; Q120-L122 HydrophobicContact CG-CG 4.09Å; L122-G124 PolarHBondContact O-N 3.43Å; L122-F125 HydrophobicContact CB-CD2 4.31Å; L122-F125 HydrophobicContact CD2-CD2 4.34Å; L122-F125 CarbonylContact O-C 3.16Å; L122-F125 WeakPolarHBondContact O-CA 3.36Å; L122-F125 WeakPolarHBondContact O-CB 3.42Å; L122-F125 PolarHBondContact O-N 2.95Å; L122-D126 PolarHBondContact O-N 2.85Å; L122-N197 HydrophobicContact CD2-CB 3.92Å
123	S	88.2	Confident	93.5	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.021	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-69.5	-26.6	-164.7	-78.2	0	0	0	0	116.1	T121 F125 D126 S235 H236 E249 A251	T121-S123 WeakPolarHBondContact CG2-OG 3.1Å; S123-F125 PolarHBondContact O-N 3.33Å; S123-D126 PolarHBondContact O-N 3.41Å; S123-S235 VanDerWaalsContact CB-OG 3.25Å; S123-S235 WeakPolarHBondContact CB-OG 3.4Å; S123-S235 PolarHBondContact OG-OG 2.96Å; S123-H236 WeakPolarHBondContact CB-ND1 3.37Å; S123-H236 PolarHBondContact OG-CE1 2.87Å; S123-H236 PolarHBondContact OG-ND1 3.47Å; S123-E249 WeakPolarHBondContact CB-OE2 3.29Å; S123-A251 VanDerWaalsContact O-CA 3.26Å; S123-A251 WeakPolarHBondContact O-CA 3.49Å; S123-A251 WeakPolarHBondContact O-CB 3.27Å
124	G	95	Very high	93.8	Very high	1 Å²	1	61 Å²	61	1%	0.01	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-65	-20.6	169	0	0	0	0	0	113.5	L122 N197 G198	L122-G124 PolarHBondContact O-N 3.43Å; G124-N197 VanDerWaalsContact CA-O 3.28Å; G124-N197 WeakPolarHBondContact CA-O 3.44Å; G124-N197 PolarHBondContact N-O 2.85Å; G124-G198 WeakPolarHBondContact CA-O 3.4Å
125	F	97.1	Very high	94	Very high	64 Å²	64	61.8 Å²	61.8	28%	0.281	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-101.7	-5.8	177.7	-54	-63.5	0	0	0	113.7	A102 Y105 L122 S123 I127 G198 M256	A102-F125 WeakPolarHBondContact CB-O 3.35Å; Y105-F125 WeakPolarHBondContact CB-O 3.28Å; L122-F125 HydrophobicContact CB-CD2 4.31Å; L122-F125 HydrophobicContact CD2-CD2 4.34Å; L122-F125 CarbonylContact O-C 3.16Å; L122-F125 WeakPolarHBondContact O-CA 3.36Å; L122-F125 WeakPolarHBondContact O-CB 3.42Å; L122-F125 PolarHBondContact O-N 2.95Å; S123-F125 PolarHBondContact O-N 3.33Å; F125-I127 PolarHBondContact O-N 3.22Å; F125-G198 VanDerWaalsContact CZ-CA 3.44Å; F125-M256 HydrophobicContact CD1-CE 4.18Å; F125-M256 HydrophobicContact CD1-SD 3.93Å
126	D	97.9	Very high	94.4	Very high	2 Å²	2	51.8 Å²	51.8	1%	0.011	28%	0.283	C	S	.	.			trans	-71.5	67.4	-170.4	-173.3	20.9	0	0	0	113.1	A66 G67 H68 Y105 L122 S123 S235 A251	A66-D126 WeakPolarHBondContact CA-O 3.26Å; G67-D126 WeakPolarHBondContact CA-OD1 3.29Å; G67-D126 PolarHBondContact N-O 2.87Å; G67-D126 PolarHBondContact N-OD1 3.48Å; H68-D126 IonicContact CE1-OD2 3.6Å; H68-D126 IonicContact CG-OD2 3.7Å; H68-D126 PolarHBondContact N-OD1 3.48Å; H68-D126 IonicContact ND1-OD1 3.01Å; H68-D126 IonicContact ND1-OD2 3.65Å; H68-D126 PolarHBondContact ND1-OD2 2.86Å; Y105-D126 VanDerWaalsContact CD2-CA 3.44Å; Y105-D126 HydrophobicContact CD2-CB 3.69Å; Y105-D126 HydrophobicContact CE2-CB 3.56Å; Y105-D126 WeakPolarHBondContact CE2-OD1 3.37Å; Y105-D126 HydrophobicContact CG-CB 4.47Å; Y105-D126 VanDerWaalsContact CZ-OD1 3.22Å; L122-D126 PolarHBondContact O-N 2.85Å; S123-D126 PolarHBondContact O-N 3.41Å; D126-S235 WeakPolarHBondContact CB-OG 3.49Å; D126-S235 WeakPolarHBondContact OD2-CB 3.42Å; D126-S235 PolarHBondContact OD2-OG 3.39Å; D126-A251 HydrophobicContact CB-CB 4.28Å; D126-A251 WeakPolarHBondContact O-CB 3.46Å
127	I	98.3	Very high	94.6	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.277	C	S	.	.			trans	-127.8	138	-179	-58.7	-165.7	0	0	0	109.7	L64 A102 F125 V233 A251 V253 M256 F259 V260	L64-I127 HydrophobicContact CD1-CG2 3.6Å; A102-I127 HydrophobicContact CB-CB 4.31Å; A102-I127 WeakPolarHBondContact CB-O 3.41Å; A102-I127 PolarHBondContact N-O 2.69Å; F125-I127 PolarHBondContact O-N 3.22Å; I127-V233 HydrophobicContact CG1-CG2 4.03Å; I127-A251 HydrophobicContact CD1-CB 4Å; I127-A251 HydrophobicContact CG1-CB 3.46Å; I127-A251 VanDerWaalsContact CG1-CB 3.46Å; I127-V253 HydrophobicContact CD1-CG2 4.44Å; I127-M256 HydrophobicContact CD1-CB 3.48Å; I127-M256 VanDerWaalsContact CD1-CB 3.48Å; I127-M256 HydrophobicContact CD1-CG 3.59Å; I127-M256 HydrophobicContact CG1-CG 4.36Å; I127-F259 HydrophobicContact CG2-CD1 4.15Å; I127-F259 HydrophobicContact CG2-CE1 3.93Å; I127-V260 HydrophobicContact CG2-CG2 4.25Å
128	A	98.5	Very high	94.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	162.1	166.8	0	0	0	0	0	111.9	T65 V70 K100 V101	T65-A128 HydrophobicContact CG2-CB 4.37Å; T65-A128 PolarHBondContact N-O 2.58Å; T65-A128 PolarHBondContact O-N 2.75Å; V70-A128 HydrophobicContact CG1-CB 4.45Å; V70-A128 HydrophobicContact CG2-CB 3.43Å; V70-A128 VanDerWaalsContact CG2-CB 3.43Å; K100-A128 CarbonylContact O-C 3.54Å; K100-A128 WeakPolarHBondContact O-CA 3.23Å; K100-A128 VanDerWaalsContact O-CB 3.26Å; K100-A128 WeakPolarHBondContact O-CB 3.38Å; V101-A128 HydrophobicContact CG2-CB 4.19Å
129	I	98.7	Very high	95.3	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	127.1	171.7	-65.4	160.7	0	0	0	108	A62 V63 L64 V99 K100 M131 F259 N263 I264	A62-I129 HydrophobicContact CB-CG2 3.75Å; V63-I129 CarbonylContact O-C 3.56Å; V63-I129 WeakPolarHBondContact O-CA 3.1Å; L64-I129 HydrophobicContact CD1-CG1 4.14Å; V99-I129 CarbonylContact C-O 3.49Å; V99-I129 VanDerWaalsContact CA-O 3.26Å; V99-I129 WeakPolarHBondContact CA-O 3.38Å; K100-I129 HydrophobicContact CB-CB 4.32Å; K100-I129 PolarHBondContact N-O 3.42Å; K100-I129 PolarHBondContact O-N 2.88Å; I129-M131 HydrophobicContact CG2-SD 3.63Å; I129-F259 HydrophobicContact CD1-CE1 4.24Å; I129-N263 HydrophobicContact CD1-CB 3.49Å; I129-N263 VanDerWaalsContact CD1-CB 3.49Å; I129-I264 HydrophobicContact CD1-CG2 3.77Å
130	V	98.7	Very high	95.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.1	167.1	179.8	0	0	0	0	107.8	L46 V63 T65 V70 V76 V79 P96 V99	L46-V130 HydrophobicContact CD1-CG2 4.48Å; V63-V130 HydrophobicContact CB-CB 4.39Å; V63-V130 PolarHBondContact N-O 2.83Å; V63-V130 PolarHBondContact O-N 2.84Å; T65-V130 HydrophobicContact CG2-CG2 3.98Å; V70-V130 HydrophobicContact CG1-CG2 3.68Å; V76-V130 HydrophobicContact CG2-CG2 4.45Å; V79-V130 HydrophobicContact CG2-CG1 4.04Å; P96-V130 HydrophobicContact CB-CG1 3.69Å; V99-V130 HydrophobicContact CG1-CG2 4.2Å
131	M	98.7	Very high	96.4	Very high	37 Å²	37	44.1 Å²	44.1	18%	0.182	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	133.9	175.4	-59.6	-55.3	-67.4	0	0	109.5	R61 A62 P96 S97 G98 I129	R61-M131 HydrophobicContact CB-CE 4.39Å; R61-M131 CarbonylContact O-C 3.44Å; R61-M131 WeakPolarHBondContact O-CA 3.3Å; A62-M131 HydrophobicContact CB-SD 4.24Å; P96-M131 CarbonylContact C-O 3.6Å; P96-M131 VanDerWaalsContact CA-O 3.27Å; P96-M131 WeakPolarHBondContact CA-O 3.29Å; S97-M131 PolarHBondContact N-O 3.12Å; S97-M131 WeakPolarHBondContact OG-CB 3.2Å; S97-M131 PolarHBondContact OG-O 2.9Å; G98-M131 PolarHBondContact O-N 3Å; I129-M131 HydrophobicContact CG2-SD 3.63Å
132	L	98.7	Very high	97	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	143.9	175	-54.5	179.6	0	0	0	110.3	L57 R61 V63 V79 F81 H94 S97 Q134 V136	L57-L132 HydrophobicContact CD1-CD1 4.07Å; R61-L132 PolarHBondContact O-N 2.87Å; V63-L132 HydrophobicContact CG2-CD1 4.29Å; V63-L132 HydrophobicContact CG2-CD2 4.07Å; V63-L132 HydrophobicContact CG2-CG 4.3Å; V79-L132 HydrophobicContact CB-CD2 3.82Å; V79-L132 HydrophobicContact CG1-CD2 3.93Å; V79-L132 HydrophobicContact CG2-CD2 3.7Å; F81-L132 HydrophobicContact CE2-CD1 4.03Å; F81-L132 HydrophobicContact CZ-CD1 4.24Å; H94-L132 HydrophobicContact CB-CD1 4.42Å; H94-L132 HydrophobicContact CB-CD2 4Å; S97-L132 PolarHBondContact OG-O 3.27Å; L132-Q134 VanDerWaalsContact C-N 3.25Å; L132-Q134 WeakPolarHBondContact CB-O 3.38Å; L132-Q134 PolarHBondContact O-N 3.21Å; L132-V136 HydrophobicContact CD1-CG2 3.49Å; L132-V136 VanDerWaalsContact CD1-CG2 3.49Å
133	A	98.3	Very high	97.3	Very high	56 Å²	56	46.3 Å²	46.3	46%	0.463	24%	0.24	S	C	.	.	S	Bend	trans	-66.9	-28.4	176.5	0	0	0	0	0	112.8	Q95	Q95-A133 HydrophobicContact CB-CB 4.24Å; Q95-A133 WeakPolarHBondContact O-CB 3.37Å; Q95-A133 PolarHBondContact O-N 3.31Å
134	Q	98.1	Very high	97.8	Very high	146 Å²	146	49 Å²	49	68%	0.682	26%	0.256	S	S	*	.	S	Bend	trans	-131.1	149.4	178.3	-61.6	-179.7	34.7	0	0	109.7	L132	L132-Q134 VanDerWaalsContact C-N 3.25Å; L132-Q134 WeakPolarHBondContact CB-O 3.38Å; L132-Q134 PolarHBondContact O-N 3.21Å
135	M	98.1	Very high	98	Very high	112 Å²	112	49.3 Å²	49.3	55%	0.552	26%	0.257	S	S	*	.			trans	-61.9	140.1	171.7	-70.2	179.8	-177	0	0	110.3	T60 R61	T60-M135 CarbonylContact O-C 3.59Å; T60-M135 WeakPolarHBondContact O-CA 3.4Å; R61-M135 HydrophobicContact CG-CB 4.35Å; R61-M135 HydrophobicContact CG-CG 3.74Å
136	V	98	Very high	98	Very high	7 Å²	7	49.2 Å²	49.2	4%	0.042	27%	0.265	C	S	.	.			trans	-67.3	130.6	170.6	171.8	0	0	0	0	109.8	L57 T60 F81 L132 L138 I142	L57-V136 HydrophobicContact CD1-CG2 3.96Å; L57-V136 HydrophobicContact CD2-CB 4.16Å; L57-V136 HydrophobicContact CD2-CG1 4.04Å; L57-V136 HydrophobicContact CD2-CG2 3.99Å; T60-V136 PolarHBondContact O-N 3.29Å; F81-V136 HydrophobicContact CE2-CG2 4.09Å; L132-V136 HydrophobicContact CD1-CG2 3.49Å; L132-V136 VanDerWaalsContact CD1-CG2 3.49Å; V136-L138 HydrophobicContact CG1-CD2 4.16Å; V136-L138 PolarHBondContact O-N 2.73Å; V136-I142 HydrophobicContact CG1-CB 3.7Å; V136-I142 HydrophobicContact CG1-CD1 3.63Å; V136-I142 HydrophobicContact CG1-CG1 4.26Å; V136-I142 HydrophobicContact CG1-CG2 3.53Å
137	N	97.7	Very high	98	Very high	91 Å²	91	50.6 Å²	50.6	49%	0.487	27%	0.272	S	S	.	.			trans	-78.4	104.8	169.4	-178.7	4.2	0	0	0	110.1	Q139 S140	N137-Q139 PolarHBondContact O-N 2.93Å; N137-Q139 VanDerWaalsContact OD1-CB 3.28Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.48Å; N137-Q139 PolarHBondContact OD1-N 3.35Å; N137-S140 VanDerWaalsContact O-CB 3.29Å; N137-S140 WeakPolarHBondContact O-CB 3.3Å; N137-S140 PolarHBondContact O-N 2.87Å; N137-S140 VanDerWaalsContact O-N 3.12Å; N137-S140 PolarHBondContact O-OG 3.26Å
138	L	97.3	Very high	98	Very high	72 Å²	72	50.6 Å²	50.6	38%	0.377	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-65.9	-18.3	-179.7	-58.7	-178.3	0	0	0	113.9	T60 V136 S140 G141 R143 V144	T60-L138 HydrophobicContact CG2-CD1 4.12Å; T60-L138 HydrophobicContact CG2-CD2 4.44Å; T60-L138 HydrophobicContact CG2-CG 4.31Å; V136-L138 HydrophobicContact CG1-CD2 4.16Å; V136-L138 PolarHBondContact O-N 2.73Å; L138-S140 PolarHBondContact O-N 2.81Å; L138-G141 PolarHBondContact O-N 3.04Å; L138-R143 PolarHBondContact O-NH1 2.89Å; L138-V144 HydrophobicContact CD2-CG2 4.19Å
139	Q	97.2	Very high	97.9	Very high	181 Å²	181	54.9 Å²	54.9	85%	0.846	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-67	-18.3	174.5	-61.5	177.3	-21.7	0	0	112.4	N137 G141	N137-Q139 PolarHBondContact O-N 2.93Å; N137-Q139 VanDerWaalsContact OD1-CB 3.28Å; N137-Q139 WeakPolarHBondContact OD1-CB 3.48Å; N137-Q139 PolarHBondContact OD1-N 3.35Å; Q139-G141 PolarHBondContact O-N 3.01Å
140	S	96.3	Very high	97.6	Very high	45 Å²	45	59 Å²	59	32%	0.315	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-69.8	-9.8	176.3	66.6	0	0	0	0	114.8	L82 N137 L138 I142	L82-S140 WeakPolarHBondContact CD1-O 3.38Å; N137-S140 VanDerWaalsContact O-CB 3.29Å; N137-S140 WeakPolarHBondContact O-CB 3.3Å; N137-S140 PolarHBondContact O-N 2.87Å; N137-S140 VanDerWaalsContact O-N 3.12Å; N137-S140 PolarHBondContact O-OG 3.26Å; L138-S140 PolarHBondContact O-N 2.81Å; S140-I142 WeakPolarHBondContact OG-CD1 3.43Å; S140-I142 WeakPolarHBondContact OG-CG1 3.36Å; S140-I142 PolarHBondContact OG-N 2.87Å
141	G	97.1	Very high	97.4	Very high	27 Å²	27	63.9 Å²	63.9	28%	0.278	35%	0.353	S	S	.	.	S	Bend	trans	100.6	-13.3	-173.5	0	0	0	0	0	113.8	P41 L138 Q139 R143	P41-G141 VanDerWaalsContact CB-O 3.3Å; P41-G141 WeakPolarHBondContact CB-O 3.33Å; L138-G141 PolarHBondContact O-N 3.04Å; Q139-G141 PolarHBondContact O-N 3.01Å; G141-R143 PolarHBondContact O-NH1 3.37Å
142	I	98	Very high	97.2	Very high	0 Å²	0	65 Å²	65	0%	0	36%	0.359	C	S	.	.			trans	-61	143.9	171.2	-58.6	166.4	0	0	0	109.7	P41 L57 F81 L82 I92 V136 S140	P41-I142 WeakPolarHBondContact O-CA 3.44Å; P41-I142 WeakPolarHBondContact O-CG2 3.49Å; L57-I142 HydrophobicContact CD2-CG2 3.54Å; F81-I142 HydrophobicContact CB-CD1 3.61Å; F81-I142 HydrophobicContact CB-CG1 3.79Å; F81-I142 HydrophobicContact CB-CG2 4.46Å; F81-I142 HydrophobicContact CD1-CG2 4.22Å; F81-I142 HydrophobicContact CD2-CD1 4.02Å; F81-I142 HydrophobicContact CG-CD1 3.96Å; F81-I142 HydrophobicContact CG-CG1 4.34Å; F81-I142 HydrophobicContact CG-CG2 4.24Å; L82-I142 HydrophobicContact CD1-CG1 3.94Å; L82-I142 HydrophobicContact CD2-CG1 4.49Å; L82-I142 HydrophobicContact CG-CG1 3.85Å; I92-I142 HydrophobicContact CB-CD1 4.03Å; I92-I142 HydrophobicContact CD1-CD1 3.82Å; I92-I142 HydrophobicContact CD1-CG1 4.27Å; I92-I142 HydrophobicContact CG1-CD1 4.49Å; I92-I142 HydrophobicContact CG2-CD1 3.95Å; V136-I142 HydrophobicContact CG1-CB 3.7Å; V136-I142 HydrophobicContact CG1-CD1 3.63Å; V136-I142 HydrophobicContact CG1-CG1 4.26Å; V136-I142 HydrophobicContact CG1-CG2 3.53Å; S140-I142 WeakPolarHBondContact OG-CD1 3.43Å; S140-I142 WeakPolarHBondContact OG-CG1 3.36Å; S140-I142 PolarHBondContact OG-N 2.87Å
143	R	97.8	Very high	96.9	Very high	126 Å²	126	67.1 Å²	67.1	48%	0.475	37%	0.37	S	S	.	.			trans	-128.4	148.9	178.8	-61.3	-67.4	178.1	-101.3	4.5	111.3	P41 F42 L138 G141	P41-R143 HydrophobicContact CB-CB 4.1Å; P41-R143 HydrophobicContact CB-CG 3.83Å; P41-R143 HydrophobicContact CG-CB 3.83Å; P41-R143 HydrophobicContact CG-CG 3.57Å; P41-R143 PolarHBondContact O-N 3.42Å; F42-R143 VanDerWaalsContact CA-O 3.23Å; F42-R143 WeakPolarHBondContact CA-O 3.5Å; F42-R143 WeakPolarHBondContact CB-O 3.37Å; L138-R143 PolarHBondContact O-NH1 2.89Å; G141-R143 PolarHBondContact O-NH1 3.37Å
144	V	98.3	Very high	96.6	Very high	59 Å²	59	65.4 Å²	65.4	36%	0.358	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-86.9	127.1	167.9	175.4	0	0	0	0	108	L57 V58 T60 L138	L57-V144 HydrophobicContact CD2-CG2 3.94Å; L57-V144 HydrophobicContact CG-CG2 4.19Å; L57-V144 CarbonylContact O-C 3.53Å; L57-V144 WeakPolarHBondContact O-CA 3.38Å; V58-V144 VanDerWaalsContact C-CG1 3.41Å; V58-V144 WeakPolarHBondContact O-CG1 3.23Å; T60-V144 HydrophobicContact CG2-CG2 4.47Å; L138-V144 HydrophobicContact CD2-CG2 4.19Å
145	I	98.3	Very high	96.4	Very high	8 Å²	8	62.5 Å²	62.5	4%	0.041	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-88.3	147.3	174.4	-170	154.4	0	0	0	110.7	F42 L57 V58 L223 G228 V230	F42-I145 HydrophobicContact CB-CB 3.83Å; F42-I145 HydrophobicContact CB-CG2 4.06Å; F42-I145 HydrophobicContact CD1-CB 4.09Å; F42-I145 HydrophobicContact CD1-CD1 3.77Å; F42-I145 HydrophobicContact CD1-CG1 4.42Å; F42-I145 HydrophobicContact CD2-CB 4.02Å; F42-I145 HydrophobicContact CD2-CD1 3.56Å; F42-I145 HydrophobicContact CD2-CG1 4.44Å; F42-I145 HydrophobicContact CD2-CG2 4.02Å; F42-I145 HydrophobicContact CE1-CD1 3.57Å; F42-I145 HydrophobicContact CE2-CD1 3.35Å; F42-I145 HydrophobicContact CG-CB 3.7Å; F42-I145 HydrophobicContact CG-CD1 3.77Å; F42-I145 HydrophobicContact CG-CG1 4.34Å; F42-I145 HydrophobicContact CG-CG2 4.09Å; F42-I145 HydrophobicContact CZ-CD1 3.34Å; L57-I145 WeakPolarHBondContact O-CG2 3.42Å; L57-I145 PolarHBondContact O-N 3.34Å; V58-I145 HydrophobicContact CG1-CG2 4.2Å; I145-L223 HydrophobicContact CD1-CD2 3.66Å; I145-G228 WeakPolarHBondContact CD1-O 3.36Å; I145-G228 WeakPolarHBondContact CG1-O 3.4Å; I145-V230 HydrophobicContact CB-CG2 4.36Å; I145-V230 HydrophobicContact CD1-CG2 4.04Å; I145-V230 HydrophobicContact CG1-CG2 3.99Å; I145-V230 HydrophobicContact CG2-CG2 3.45Å; I145-V230 VanDerWaalsContact CG2-CG2 3.45Å
146	S	97.9	Very high	96.3	Very high	63 Å²	63	60.2 Å²	60.2	44%	0.441	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-73.2	152.5	-177.4	52.8	0	0	0	0	112.7	P229 V230	S146-P229 VanDerWaalsContact O-CA 3.23Å; S146-P229 WeakPolarHBondContact O-CA 3.47Å; S146-P229 WeakPolarHBondContact OG-CA 3.14Å; S146-V230 PolarHBondContact O-N 2.94Å; S146-V230 VanDerWaalsContact O-N 3.08Å
147	L	98.4	Very high	96.1	Very high	31 Å²	31	62.6 Å²	62.6	16%	0.162	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-84.7	147.2	168.3	-63.4	179.8	0	0	0	110.2	V58 V253 L257 V260 R261 I264	V58-L147 HydrophobicContact CB-CD2 4.06Å; V58-L147 HydrophobicContact CG1-CD2 3.84Å; L147-V253 HydrophobicContact CD2-CG1 4.1Å; L147-L257 HydrophobicContact CB-CD1 4.06Å; L147-L257 HydrophobicContact CD1-CD1 4.08Å; L147-V260 HydrophobicContact CD1-CG1 3.78Å; L147-V260 HydrophobicContact CD2-CG1 3.76Å; L147-V260 HydrophobicContact CG-CG1 4.45Å; L147-R261 HydrophobicContact CD1-CG 4.1Å; L147-I264 HydrophobicContact CD1-CD1 3.87Å
148	P	97.8	Very high	96	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-73.3	158.2	176.7	33.2	-36.8	0	0	0	111	D152 P229 V230 L231 V253 A254 L257	P148-D152 VanDerWaalsContact CA-OD2 3.3Å; P148-D152 WeakPolarHBondContact CA-OD2 3.44Å; P148-D152 HydrophobicContact CB-CB 3.96Å; P148-P229 HydrophobicContact CB-CB 4.04Å; P148-P229 HydrophobicContact CB-CG 4.39Å; P148-V230 WeakPolarHBondContact CD-O 3.35Å; P148-V230 VanDerWaalsContact CG-O 3.25Å; P148-V230 WeakPolarHBondContact CG-O 3.36Å; P148-L231 HydrophobicContact CB-CD2 4.32Å; P148-V253 HydrophobicContact CG-CB 3.9Å; P148-V253 HydrophobicContact CG-CG1 3.84Å; P148-A254 HydrophobicContact CB-CB 4.22Å; P148-A254 HydrophobicContact CG-CB 3.91Å; P148-L257 WeakPolarHBondContact O-CD2 3.11Å
149	Q	96.5	Very high	95.8	Very high	89 Å²	89	59.3 Å²	59.3	42%	0.416	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-88.5	160.5	158.8	-58	-57.9	-27.8	0	0	110.1	S151 D152	Q149-S151 PolarHBondContact O-N 3.3Å; Q149-S151 VanDerWaalsContact O-N 3.11Å; Q149-D152 PolarHBondContact N-OD2 3.07Å; Q149-D152 WeakPolarHBondContact O-CB 3.49Å; Q149-D152 PolarHBondContact O-N 3.25Å
150	P	93	Very high	95.7	Very high	87 Å²	87	50.7 Å²	50.7	57%	0.565	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-52.5	-31.7	173.2	-29.3	37.3	0	0	0	114.1	D152	P150-D152 VanDerWaalsContact C-N 3.28Å; P150-D152 PolarHBondContact O-N 3.29Å
151	S	93.9	Very high	95.6	Very high	102 Å²	102	50.5 Å²	50.5	71%	0.713	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-72.7	-12.8	177	53.7	0	0	0	0	114.8	Q149 I153	Q149-S151 PolarHBondContact O-N 3.3Å; Q149-S151 VanDerWaalsContact O-N 3.11Å; S151-I153 VanDerWaalsContact C-N 3.31Å
152	D	95	Very high	95.5	Very high	60 Å²	60	49.2 Å²	49.2	32%	0.321	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-83.9	-7.7	-174.3	-62.9	-17.7	0	0	0	112.7	P148 Q149 P150 P154 L231	P148-D152 VanDerWaalsContact CA-OD2 3.3Å; P148-D152 WeakPolarHBondContact CA-OD2 3.44Å; P148-D152 HydrophobicContact CB-CB 3.96Å; Q149-D152 PolarHBondContact N-OD2 3.07Å; Q149-D152 WeakPolarHBondContact O-CB 3.49Å; Q149-D152 PolarHBondContact O-N 3.25Å; P150-D152 VanDerWaalsContact C-N 3.28Å; P150-D152 PolarHBondContact O-N 3.29Å; D152-P154 WeakPolarHBondContact O-CD 3.44Å; D152-P154 VanDerWaalsContact O-N 3.11Å; D152-L231 HydrophobicContact CB-CD2 3.98Å; D152-L231 VanDerWaalsContact O-CD2 3.27Å; D152-L231 WeakPolarHBondContact O-CD2 3.18Å
153	I	91.9	Very high	95.3	Very high	48 Å²	48	49.4 Å²	49.4	25%	0.246	31%	0.305	C	S	.	.			trans	-64.8	111.3	175.9	-56.6	178	0	0	0	108.1	S151 I201 A254 R255	S151-I153 VanDerWaalsContact C-N 3.31Å; I153-I201 HydrophobicContact CG2-CD1 4.38Å; I153-I201 HydrophobicContact CG2-CG1 4.46Å; I153-A254 HydrophobicContact CD1-CB 3.86Å; I153-A254 HydrophobicContact CG1-CB 3.69Å; I153-R255 HydrophobicContact CD1-CG 4.01Å
154	P	91.5	Very high	95.3	Very high	20 Å²	20	43.4 Å²	43.4	13%	0.13	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-76.7	154.2	-173.2	-5.6	21.8	0	0	0	111.3	D152 T158 I189 L231	D152-P154 WeakPolarHBondContact O-CD 3.44Å; D152-P154 VanDerWaalsContact O-N 3.11Å; P154-T158 HydrophobicContact CB-CG2 3.66Å; P154-T158 HydrophobicContact CG-CG2 4.31Å; P154-I189 HydrophobicContact CB-CD1 3.77Å; P154-I189 HydrophobicContact CG-CD1 3.4Å; P154-L231 HydrophobicContact CG-CD1 3.66Å
155	P	94.9	Very high	95.1	Very high	85 Å²	85	40.6 Å²	40.6	55%	0.552	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-67.2	160.7	174.9	29.3	-35	0	0	0	111.9	T158	P155-T158 WeakPolarHBondContact O-CB 3.26Å; P155-T158 PolarHBondContact O-N 3.14Å; P155-T158 PolarHBondContact O-OG1 3.1Å
156	P	95	Very high	94.8	Very high	63 Å²	63	40.3 Å²	40.3	41%	0.409	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	143.3	167.5	-22.4	29.6	0	0	0	112.4	T158 E191	P156-T158 VanDerWaalsContact C-N 3.33Å; P156-E191 HydrophobicContact CB-CG 4.29Å; P156-E191 VanDerWaalsContact CG-CD 3.49Å; P156-E191 HydrophobicContact CG-CG 3.6Å; P156-E191 WeakPolarHBondContact CG-OE1 3.39Å
157	G	94.1	Very high	94.5	Very high	57 Å²	57	43.3 Å²	43.3	59%	0.588	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	91	-12.4	-176.1	0	0	0	0	0	113.9	G159 I189	G157-G159 PolarHBondContact O-N 3.27Å; G157-I189 PolarHBondContact N-O 2.87Å
158	T	95	Very high	93.9	Very high	44 Å²	44	42 Å²	42	27%	0.27	26%	0.26	S	S	.	.			trans	-68.4	131	175.1	-60.2	0	0	0	0	111.7	P154 P155 P156 V160 T188 I189	P154-T158 HydrophobicContact CB-CG2 3.66Å; P154-T158 HydrophobicContact CG-CG2 4.31Å; P155-T158 WeakPolarHBondContact O-CB 3.26Å; P155-T158 PolarHBondContact O-N 3.14Å; P155-T158 PolarHBondContact O-OG1 3.1Å; P156-T158 VanDerWaalsContact C-N 3.33Å; T158-V160 HydrophobicContact CG2-CG1 4.44Å; T158-T188 WeakPolarHBondContact O-CA 3.42Å; T158-I189 PolarHBondContact O-N 3.05Å
159	G	93.6	Very high	93.3	Very high	50 Å²	50	45 Å²	45	52%	0.515	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	137.2	170	0	0	0	0	0	111.4	G157 A187	G157-G159 PolarHBondContact O-N 3.27Å; G159-A187 WeakPolarHBondContact CA-O 3.19Å
160	V	95.2	Very high	92.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.9	-175.6	-74.2	0	0	0	0	110.5	T158 R186 A187 I189 L222 L223 L231	T158-V160 HydrophobicContact CG2-CG1 4.44Å; V160-R186 CarbonylContact O-C 3.6Å; V160-R186 VanDerWaalsContact O-CA 3.27Å; V160-R186 WeakPolarHBondContact O-CA 3.47Å; V160-A187 HydrophobicContact CG2-CB 4.16Å; V160-A187 WeakPolarHBondContact CG2-O 3.14Å; V160-A187 PolarHBondContact N-O 2.98Å; V160-A187 PolarHBondContact O-N 3.24Å; V160-I189 HydrophobicContact CG1-CD1 3.76Å; V160-I189 HydrophobicContact CG1-CG1 3.92Å; V160-I189 HydrophobicContact CG2-CG1 4.04Å; V160-L222 HydrophobicContact CB-CD1 3.9Å; V160-L222 HydrophobicContact CB-CG 4.25Å; V160-L222 HydrophobicContact CG2-CD1 3.53Å; V160-L222 HydrophobicContact CG2-CG 4.23Å; V160-L223 WeakPolarHBondContact CA-O 3.3Å; V160-L231 HydrophobicContact CG1-CD1 4.33Å
161	F	94.3	Very high	92.1	Very high	40 Å²	40	41.8 Å²	41.8	18%	0.175	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	141	174.2	-66.7	-90.7	0	0	0	110.5	G185 R186 L223 L226	F161-G185 WeakPolarHBondContact CA-O 3.33Å; F161-R186 HydrophobicContact CD1-CG 4.1Å; F161-R186 HydrophobicContact CE1-CG 4.15Å; F161-L223 HydrophobicContact CB-CB 4.18Å; F161-L223 PolarHBondContact N-O 2.82Å; F161-L223 PolarHBondContact O-N 3.07Å; F161-L226 HydrophobicContact CB-CD2 4.44Å; F161-L226 HydrophobicContact CD1-CD2 3.52Å; F161-L226 HydrophobicContact CD1-CG 4.38Å; F161-L226 HydrophobicContact CD2-CD2 4.45Å; F161-L226 HydrophobicContact CE1-CD2 3.72Å; F161-L226 HydrophobicContact CE1-CG 4.2Å; F161-L226 HydrophobicContact CG-CD2 3.9Å; F161-L226 HydrophobicContact CZ-CD2 4.27Å; F161-L226 HydrophobicContact CZ-CG 4.28Å
162	I	94.7	Very high	91.7	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143.6	172.9	61.5	172.9	0	0	0	108.3	K184 G185 A187 Q211 P213 L222 Y250	I162-K184 CarbonylContact O-C 3.56Å; I162-K184 WeakPolarHBondContact O-CA 3.46Å; I162-G185 PolarHBondContact N-O 2.96Å; I162-G185 PolarHBondContact O-N 3.32Å; I162-A187 HydrophobicContact CD1-CB 4.49Å; I162-A187 HydrophobicContact CG2-CB 3.95Å; I162-Q211 HydrophobicContact CD1-CB 4.32Å; I162-P213 HydrophobicContact CD1-CG 4.48Å; I162-L222 HydrophobicContact CG2-CD1 3.77Å; I162-Y250 WeakPolarHBondContact CG2-OH 3.2Å
163	V	95	Very high	91.2	Very high	3 Å²	3	48 Å²	48	2%	0.018	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	138.6	-179.7	55.7	0	0	0	0	110.4	F40 I43 L182 K183 P221 L223	F40-V163 HydrophobicContact CD1-CB 4.2Å; F40-V163 HydrophobicContact CD1-CG1 3.92Å; F40-V163 HydrophobicContact CD1-CG2 3.94Å; F40-V163 HydrophobicContact CD2-CG2 4.12Å; F40-V163 HydrophobicContact CE1-CB 3.94Å; F40-V163 HydrophobicContact CE1-CG1 3.91Å; F40-V163 HydrophobicContact CE1-CG2 4.03Å; F40-V163 HydrophobicContact CE2-CG2 4.21Å; F40-V163 HydrophobicContact CG-CG2 3.98Å; F40-V163 HydrophobicContact CZ-CB 4.23Å; F40-V163 HydrophobicContact CZ-CG2 4.15Å; I43-V163 HydrophobicContact CD1-CG1 3.8Å; I43-V163 HydrophobicContact CD1-CG2 4.25Å; I43-V163 HydrophobicContact CG1-CG2 4.43Å; V163-L182 HydrophobicContact CG2-CD1 3.55Å; V163-L182 HydrophobicContact CG2-CG 4.25Å; V163-K183 VanDerWaalsContact CA-O 3.3Å; V163-K183 WeakPolarHBondContact CA-O 3.2Å; V163-P221 HydrophobicContact CG1-CG 3.6Å; V163-L223 HydrophobicContact CG1-CD1 4.19Å
164	G	96.3	Very high	91	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-178.1	176.3	0	0	0	0	0	114.3	L182 K183 D217	G164-L182 WeakPolarHBondContact O-CA 3.25Å; G164-K183 PolarHBondContact N-O 3.47Å; G164-K183 PolarHBondContact O-N 3.2Å; G164-D217 WeakPolarHBondContact CA-OD1 3.48Å
165	Y	95.2	Very high	90.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.299	C	S	.	.			trans	-104.1	12.8	-173.5	-65.4	-90	0	0	0	113.6	I43 F45 M52 T54 T83 G180 L182 D217	I43-Y165 HydrophobicContact CG1-CE2 4.13Å; I43-Y165 HydrophobicContact CG2-CE2 4.4Å; F45-Y165 HydrophobicContact CB-CD1 4.5Å; F45-Y165 HydrophobicContact CB-CD2 4.01Å; F45-Y165 HydrophobicContact CB-CE1 4.15Å; F45-Y165 HydrophobicContact CB-CE2 3.62Å; F45-Y165 HydrophobicContact CB-CG 4.44Å; F45-Y165 AromaticContact CD2-CD1 3.84Å; F45-Y165 HydrophobicContact CD2-CD1 3.84Å; F45-Y165 AromaticContact CD2-CD2 3.56Å; F45-Y165 HydrophobicContact CD2-CD2 3.56Å; F45-Y165 HydrophobicContact CD2-CE1 4.32Å; F45-Y165 HydrophobicContact CD2-CE2 4.08Å; F45-Y165 AromaticContact CD2-CG 3.42Å; F45-Y165 HydrophobicContact CD2-CG 3.42Å; F45-Y165 VanDerWaalsContact CD2-CG 3.42Å; F45-Y165 HydrophobicContact CE2-CD1 4.27Å; F45-Y165 HydrophobicContact CE2-CD2 4.44Å; F45-Y165 AromaticContact CE2-CG 3.92Å; F45-Y165 HydrophobicContact CE2-CG 3.92Å; F45-Y165 HydrophobicContact CG-CD1 4.22Å; F45-Y165 HydrophobicContact CG-CD2 4.16Å; F45-Y165 HydrophobicContact CG-CE1 4.28Å; F45-Y165 HydrophobicContact CG-CE2 4.23Å; F45-Y165 HydrophobicContact CG-CG 4.16Å; M52-Y165 WeakPolarHBondContact CE-O 3.21Å; T54-Y165 HydrophobicContact CG2-CD2 4.17Å; T54-Y165 HydrophobicContact CG2-CE2 4.48Å; T54-Y165 PolarHBondContact OG1-N 3.25Å; T83-Y165 HydrophobicContact CG2-CE1 4.36Å; T83-Y165 WeakPolarHBondContact O-CE1 3.04Å; T83-Y165 PolarHBondContact O-OH 2.91Å; Y165-G180 WeakPolarHBondContact O-CA 2.66Å; Y165-G180 PolarHBondContact O-N 3.21Å; Y165-L182 HydrophobicContact CD1-CB 4.02Å; Y165-L182 HydrophobicContact CD1-CD1 4.41Å; Y165-L182 HydrophobicContact CD2-CD1 4.13Å; Y165-L182 HydrophobicContact CE1-CB 3.61Å; Y165-L182 HydrophobicContact CE1-CD1 4.07Å; Y165-L182 HydrophobicContact CE1-CG 4.32Å; Y165-L182 HydrophobicContact CE2-CD1 3.76Å; Y165-L182 HydrophobicContact CG-CD1 4.44Å; Y165-D217 PolarHBondContact N-OD1 2.75Å
166	G	92.7	Very high	90.1	Very high	3 Å²	3	52.5 Å²	52.5	3%	0.031	29%	0.287	C	S	.	.			trans	-71.6	177.6	-171.3	0	0	0	0	0	114.7	G179 P215 D217	G166-G179 WeakPolarHBondContact O-CA 3.4Å; G166-P215 WeakPolarHBondContact CA-O 3.41Å; G166-D217 WeakPolarHBondContact CA-OD1 3.12Å; G166-D217 VanDerWaalsContact CA-OD2 3.26Å; G166-D217 WeakPolarHBondContact CA-OD2 3.36Å; G166-D217 VanDerWaalsContact N-CG 3.33Å; G166-D217 PolarHBondContact N-OD1 2.99Å
167	R	90.2	Very high	89.6	Confident	126 Å²	126	53.1 Å²	53.1	48%	0.475	28%	0.283	S	S	.	.			trans	-67.3	149.5	-179.2	-63.6	-178	-177.5	178.3	1.8	111.8	L27 I28 K177 N178 A214 P215	L27-R167 HydrophobicContact CD2-CB 3.56Å; L27-R167 WeakPolarHBondContact CD2-O 3.46Å; I28-R167 PolarHBondContact N-O 2.63Å; R167-K177 WeakPolarHBondContact CA-O 3.14Å; R167-K177 WeakPolarHBondContact CB-O 3.03Å; R167-N178 WeakPolarHBondContact CG-O 3.45Å; R167-A214 HydrophobicContact CB-CB 4.27Å; R167-A214 WeakPolarHBondContact O-CB 3.22Å; R167-P215 PolarHBondContact N-O 3.17Å
168	D	86.7	Confident	89.3	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.016	29%	0.287	C	S	.	.			trans	-144.2	86.1	172	-177.3	7.6	0	0	0	110.2	I28 S30 N170 D171 K177 K183	I28-D168 WeakPolarHBondContact O-CB 3.34Å; S30-D168 PolarHBondContact N-OD1 2.98Å; D168-N170 PolarHBondContact O-N 3.45Å; D168-N170 WeakPolarHBondContact OD1-CB 3.2Å; D168-N170 PolarHBondContact OD1-N 3.18Å; D168-N170 VanDerWaalsContact OD1-N 3.17Å; D168-D171 HydrophobicContact CB-CB 4.31Å; D168-D171 WeakPolarHBondContact O-CB 3.26Å; D168-D171 PolarHBondContact O-N 2.91Å; D168-D171 PolarHBondContact OD1-N 2.99Å; D168-K177 PolarHBondContact N-O 3.3Å; D168-K177 VanDerWaalsContact O-CA 3.26Å; D168-K177 WeakPolarHBondContact O-CA 3.41Å; D168-K177 WeakPolarHBondContact O-CG 3.09Å; D168-K183 HydrophobicContact CB-CD 4.42Å; D168-K183 VanDerWaalsContact CG-NZ 3.31Å; D168-K183 IonicContact OD2-NZ 2.7Å; D168-K183 PolarHBondContact OD2-NZ 2.95Å
169	D	84.2	Confident	89.1	Confident	64 Å²	64	54.9 Å²	54.9	34%	0.342	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.3	-178	-56.1	-25	0	0	0	112.8	L27 K177	L27-D169 HydrophobicContact CD1-CB 3.44Å; L27-D169 VanDerWaalsContact CD1-CB 3.44Å; L27-D169 WeakPolarHBondContact CD1-OD2 3.21Å; L27-D169 HydrophobicContact CD2-CB 4.12Å; L27-D169 WeakPolarHBondContact CD2-OD2 3.46Å; L27-D169 HydrophobicContact CG-CB 4.38Å; D169-K177 WeakPolarHBondContact O-CD 3.1Å; D169-K177 WeakPolarHBondContact O-CE 3.42Å; D169-K177 PolarHBondContact O-NZ 3.03Å
170	N	81.9	Confident	89	Confident	92 Å²	92	52.6 Å²	52.6	49%	0.492	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	0.5	177.2	-69.4	-16.3	0	0	0	113.6	R29 D168 R172	R29-N170 WeakPolarHBondContact CG-ND2 3.33Å; D168-N170 PolarHBondContact O-N 3.45Å; D168-N170 WeakPolarHBondContact OD1-CB 3.2Å; D168-N170 PolarHBondContact OD1-N 3.18Å; D168-N170 VanDerWaalsContact OD1-N 3.17Å; N170-R172 PolarHBondContact O-N 2.78Å
171	D	83.1	Confident	88.9	Confident	16 Å²	16	53.3 Å²	53.3	9%	0.086	26%	0.261	C	S	.	.			trans	-61	135.5	174.3	-160.3	-45.8	0	0	0	110.2	D168 D173 R176 K177 K183	D168-D171 HydrophobicContact CB-CB 4.31Å; D168-D171 WeakPolarHBondContact O-CB 3.26Å; D168-D171 PolarHBondContact O-N 2.91Å; D168-D171 PolarHBondContact OD1-N 2.99Å; D171-D173 PolarHBondContact O-N 2.77Å; D171-D173 PolarHBondContact OD1-N 3.04Å; D171-R176 HydrophobicContact CB-CB 3.99Å; D171-R176 WeakPolarHBondContact OD2-CB 3.32Å; D171-R176 WeakPolarHBondContact OD2-CD 3.36Å; D171-K177 HydrophobicContact CB-CG 4.25Å; D171-K177 WeakPolarHBondContact O-CE 3.5Å; D171-K183 WeakPolarHBondContact OD2-CE 3.38Å; D171-K183 IonicContact OD2-NZ 3.94Å; D171-K183 PolarHBondContact OD2-NZ 3.18Å
172	R	85.4	Confident	89	Confident	244 Å²	244	51.5 Å²	51.5	92%	0.921	25%	0.253	S	S	*	.	S	Bend	trans	-69.2	-26.7	178.5	-64.6	-178.2	-178.5	171	0.4	112	N170 P174	N170-R172 PolarHBondContact O-N 2.78Å; R172-P174 WeakPolarHBondContact O-CD 3.4Å
173	D	85.2	Confident	88.9	Confident	49 Å²	49	51.6 Å²	51.6	26%	0.262	25%	0.253	S	S	.	.	S	Bend	trans	-90.3	111	173.7	177.5	-9.8	0	0	0	109.4	D171 S175 R176	D171-D173 PolarHBondContact O-N 2.77Å; D171-D173 PolarHBondContact OD1-N 3.04Å; D173-S175 PolarHBondContact O-N 2.66Å; D173-S175 VanDerWaalsContact O-N 3.07Å; D173-S175 VanDerWaalsContact OD1-CB 3.29Å; D173-S175 WeakPolarHBondContact OD1-CB 3.32Å; D173-S175 PolarHBondContact OD1-N 2.86Å; D173-S175 PolarHBondContact OD1-OG 3.24Å; D173-S175 PolarHBondContact OD2-OG 3.4Å; D173-R176 HydrophobicContact CB-CG 3.72Å; D173-R176 WeakPolarHBondContact O-CB 3.49Å; D173-R176 PolarHBondContact O-N 2.73Å; D173-R176 IonicContact OD2-CZ 3.55Å; D173-R176 VanDerWaalsContact OD2-CZ 3.27Å; D173-R176 IonicContact OD2-NE 3.86Å; D173-R176 PolarHBondContact OD2-NE 3.08Å; D173-R176 IonicContact OD2-NH2 2.75Å; D173-R176 PolarHBondContact OD2-NH2 2.75Å
174	P	86	Confident	88.8	Confident	97 Å²	97	53.2 Å²	53.2	63%	0.63	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-57.3	-26.2	-178	-24.8	35.1	0	0	0	113.9	R172 R176 K177	R172-P174 WeakPolarHBondContact O-CD 3.4Å; P174-R176 PolarHBondContact O-N 3.02Å; P174-K177 PolarHBondContact O-N 3.12Å
175	S	83.6	Confident	88.5	Confident	68 Å²	68	53.5 Å²	53.5	48%	0.476	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-68.3	-13.8	178.9	74.5	0	0	0	0	113.3	D173	D173-S175 PolarHBondContact O-N 2.66Å; D173-S175 VanDerWaalsContact O-N 3.07Å; D173-S175 VanDerWaalsContact OD1-CB 3.29Å; D173-S175 WeakPolarHBondContact OD1-CB 3.32Å; D173-S175 PolarHBondContact OD1-N 2.86Å; D173-S175 PolarHBondContact OD1-OG 3.24Å; D173-S175 PolarHBondContact OD2-OG 3.4Å
176	R	84.5	Confident	88.4	Confident	81 Å²	81	59.9 Å²	59.9	31%	0.306	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-102.6	-15.2	-175.3	-47.4	-164.3	-177	164.2	0.6	113.7	D171 D173 P174 N178 G179 I181	D171-R176 HydrophobicContact CB-CB 3.99Å; D171-R176 WeakPolarHBondContact OD2-CB 3.32Å; D171-R176 WeakPolarHBondContact OD2-CD 3.36Å; D173-R176 HydrophobicContact CB-CG 3.72Å; D173-R176 WeakPolarHBondContact O-CB 3.49Å; D173-R176 PolarHBondContact O-N 2.73Å; D173-R176 IonicContact OD2-CZ 3.55Å; D173-R176 VanDerWaalsContact OD2-CZ 3.27Å; D173-R176 IonicContact OD2-NE 3.86Å; D173-R176 PolarHBondContact OD2-NE 3.08Å; D173-R176 IonicContact OD2-NH2 2.75Å; D173-R176 PolarHBondContact OD2-NH2 2.75Å; P174-R176 PolarHBondContact O-N 3.02Å; R176-N178 VanDerWaalsContact C-N 3.29Å; R176-N178 PolarHBondContact O-N 3.06Å; R176-G179 PolarHBondContact O-N 2.88Å; R176-I181 HydrophobicContact CB-CD1 3.59Å; R176-I181 HydrophobicContact CG-CD1 3.29Å
177	K	85.7	Confident	88.4	Confident	77 Å²	77	59.8 Å²	59.8	34%	0.335	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-39.4	-173.7	-66.5	-171.5	172.8	-150.5	0	113.2	R167 D168 D169 D171 P174 G179	R167-K177 WeakPolarHBondContact CA-O 3.14Å; R167-K177 WeakPolarHBondContact CB-O 3.03Å; D168-K177 PolarHBondContact N-O 3.3Å; D168-K177 VanDerWaalsContact O-CA 3.26Å; D168-K177 WeakPolarHBondContact O-CA 3.41Å; D168-K177 WeakPolarHBondContact O-CG 3.09Å; D169-K177 WeakPolarHBondContact O-CD 3.1Å; D169-K177 WeakPolarHBondContact O-CE 3.42Å; D169-K177 PolarHBondContact O-NZ 3.03Å; D171-K177 HydrophobicContact CB-CG 4.25Å; D171-K177 WeakPolarHBondContact O-CE 3.5Å; P174-K177 PolarHBondContact O-N 3.12Å; K177-G179 PolarHBondContact O-N 2.94Å
178	N	87.2	Confident	88.5	Confident	123 Å²	123	55 Å²	55	66%	0.658	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	0.7	179.6	-65.3	-32.3	0	0	0	114	R167 R176	R167-N178 WeakPolarHBondContact CG-O 3.45Å; R176-N178 VanDerWaalsContact C-N 3.29Å; R176-N178 PolarHBondContact O-N 3.06Å
179	G	90.7	Very high	88.9	Confident	15 Å²	15	55.2 Å²	55.2	16%	0.155	27%	0.272	C	S	.	.			trans	76.4	-160.2	-177.3	0	0	0	0	0	112.6	G166 R176 K177 I181	G166-G179 WeakPolarHBondContact O-CA 3.4Å; R176-G179 PolarHBondContact O-N 2.88Å; K177-G179 PolarHBondContact O-N 2.94Å; G179-I181 VanDerWaalsContact C-N 3.27Å
180	G	92	Very high	89.4	Confident	2 Å²	2	53.1 Å²	53.1	2%	0.021	26%	0.261	C	S	.	.			trans	72.4	21.4	-169.6	0	0	0	0	0	112.2	R85 N86 Y165	R85-G180 CarbonylContact C-O 3.52Å; R85-G180 WeakPolarHBondContact CA-O 3.01Å; R85-G180 WeakPolarHBondContact CB-O 3.28Å; N86-G180 PolarHBondContact N-O 2.91Å; Y165-G180 WeakPolarHBondContact O-CA 2.66Å; Y165-G180 PolarHBondContact O-N 3.21Å
181	I	93.4	Very high	89.9	Confident	16 Å²	16	54.5 Å²	54.5	8%	0.082	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-125.4	130.1	171.9	-67.3	175.8	0	0	0	107.4	L84 R85 R176 G179 K183	L84-I181 WeakPolarHBondContact O-CA 3.16Å; R85-I181 HydrophobicContact CB-CG1 4.01Å; R176-I181 HydrophobicContact CB-CD1 3.59Å; R176-I181 HydrophobicContact CG-CD1 3.29Å; G179-I181 VanDerWaalsContact C-N 3.27Å; I181-K183 PolarHBondContact O-N 2.67Å
182	L	94.5	Very high	90.4	Very high	1 Å²	1	55.3 Å²	55.3	1%	0.005	27%	0.271	C	S	.	.			trans	-67.6	119	-179.1	-173.4	61.9	0	0	0	109.8	V34 I43 L84 V163 G164 Y165	V34-L182 HydrophobicContact CB-CB 4.35Å; V34-L182 HydrophobicContact CB-CD2 3.96Å; V34-L182 HydrophobicContact CB-CG 4.02Å; V34-L182 HydrophobicContact CG1-CD2 4.07Å; V34-L182 HydrophobicContact CG2-CB 4.43Å; V34-L182 HydrophobicContact CG2-CD2 3.94Å; V34-L182 HydrophobicContact CG2-CG 3.72Å; V34-L182 PolarHBondContact N-O 2.92Å; I43-L182 HydrophobicContact CG1-CD1 4.07Å; I43-L182 HydrophobicContact CG2-CD1 4.14Å; I43-L182 HydrophobicContact CG2-CD2 3.83Å; L84-L182 HydrophobicContact CD2-CD2 4.29Å; L84-L182 PolarHBondContact O-N 3.13Å; V163-L182 HydrophobicContact CG2-CD1 3.55Å; V163-L182 HydrophobicContact CG2-CG 4.25Å; G164-L182 WeakPolarHBondContact O-CA 3.25Å; Y165-L182 HydrophobicContact CD1-CB 4.02Å; Y165-L182 HydrophobicContact CD1-CD1 4.41Å; Y165-L182 HydrophobicContact CD2-CD1 4.13Å; Y165-L182 HydrophobicContact CE1-CB 3.61Å; Y165-L182 HydrophobicContact CE1-CD1 4.07Å; Y165-L182 HydrophobicContact CE1-CG 4.32Å; Y165-L182 HydrophobicContact CE2-CD1 3.76Å; Y165-L182 HydrophobicContact CG-CD1 4.44Å
183	K	93.7	Very high	90.6	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	146.6	176.2	-72	-179.6	173	177.7	0	110.9	I28 E32 V163 G164 D168 D171 I181	I28-K183 HydrophobicContact CG2-CB 4.07Å; I28-K183 HydrophobicContact CG2-CD 4.32Å; E32-K183 CarbonylContact O-C 3.59Å; E32-K183 VanDerWaalsContact O-CA 3.29Å; E32-K183 WeakPolarHBondContact O-CA 3.36Å; V163-K183 VanDerWaalsContact CA-O 3.3Å; V163-K183 WeakPolarHBondContact CA-O 3.2Å; G164-K183 PolarHBondContact N-O 3.47Å; G164-K183 PolarHBondContact O-N 3.2Å; D168-K183 HydrophobicContact CB-CD 4.42Å; D168-K183 VanDerWaalsContact CG-NZ 3.31Å; D168-K183 IonicContact OD2-NZ 2.7Å; D168-K183 PolarHBondContact OD2-NZ 2.95Å; D171-K183 WeakPolarHBondContact OD2-CE 3.38Å; D171-K183 IonicContact OD2-NZ 3.94Å; D171-K183 PolarHBondContact OD2-NZ 3.18Å; I181-K183 PolarHBondContact O-N 2.67Å
184	K	92.6	Very high	90.9	Very high	38 Å²	38	52.5 Å²	52.5	17%	0.165	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	151.6	172	65.4	-176.9	175.5	-169.7	0	110.3	G31 E32 V34 E39 F40 I162	G31-K184 WeakPolarHBondContact CA-O 3.36Å; E32-K184 HydrophobicContact CB-CG 4.3Å; E32-K184 PolarHBondContact N-O 2.82Å; E32-K184 PolarHBondContact O-N 2.96Å; E32-K184 WeakPolarHBondContact OE2-CE 3.47Å; E32-K184 IonicContact OE2-NZ 2.65Å; V34-K184 HydrophobicContact CG2-CB 4.14Å; V34-K184 HydrophobicContact CG2-CD 4.33Å; V34-K184 HydrophobicContact CG2-CG 4.2Å; E39-K184 IonicContact OE2-NZ 2.68Å; E39-K184 PolarHBondContact OE2-NZ 2.91Å; F40-K184 HydrophobicContact CE2-CB 3.89Å; F40-K184 HydrophobicContact CE2-CD 3.91Å; F40-K184 HydrophobicContact CE2-CG 4.44Å; F40-K184 HydrophobicContact CZ-CB 3.74Å; F40-K184 HydrophobicContact CZ-CD 4.1Å; I162-K184 CarbonylContact O-C 3.56Å; I162-K184 WeakPolarHBondContact O-CA 3.46Å
185	G	90.7	Very high	91.2	Very high	6 Å²	6	52.7 Å²	52.7	6%	0.062	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	-178.4	176.3	0	0	0	0	0	112.4	F161 I162	F161-G185 WeakPolarHBondContact CA-O 3.33Å; I162-G185 PolarHBondContact N-O 2.96Å; I162-G185 PolarHBondContact O-N 3.32Å
186	R	91.8	Very high	91.6	Very high	133 Å²	133	51.7 Å²	51.7	50%	0.502	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	135	175.2	-74.6	-176.9	146.6	-165.1	-7.6	110.7	V160 F161	V160-R186 CarbonylContact O-C 3.6Å; V160-R186 VanDerWaalsContact O-CA 3.27Å; V160-R186 WeakPolarHBondContact O-CA 3.47Å; F161-R186 HydrophobicContact CD1-CG 4.1Å; F161-R186 HydrophobicContact CE1-CG 4.15Å
187	A	92.5	Very high	92.1	Very high	1 Å²	1	51 Å²	51	1%	0.008	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	175.1	174.7	0	0	0	0	0	110.1	G159 V160 I162 V203	G159-A187 WeakPolarHBondContact CA-O 3.19Å; V160-A187 HydrophobicContact CG2-CB 4.16Å; V160-A187 WeakPolarHBondContact CG2-O 3.14Å; V160-A187 PolarHBondContact N-O 2.98Å; V160-A187 PolarHBondContact O-N 3.24Å; I162-A187 HydrophobicContact CD1-CB 4.49Å; I162-A187 HydrophobicContact CG2-CB 3.95Å; A187-V203 HydrophobicContact CB-CB 4.27Å; A187-V203 HydrophobicContact CB-CG2 4.31Å
188	T	93.8	Very high	92.4	Very high	25 Å²	25	48.5 Å²	48.5	15%	0.153	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.5	177.4	-57.3	0	0	0	0	109.8	T158 V203 K204	T158-T188 WeakPolarHBondContact O-CA 3.42Å; T188-V203 WeakPolarHBondContact O-CA 3.48Å; T188-K204 PolarHBondContact N-O 3.47Å; T188-K204 PolarHBondContact O-N 3.32Å
189	I	94.9	Very high	92.7	Very high	8 Å²	8	47 Å²	47	4%	0.041	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	141.2	173.3	-65.3	-176.1	0	0	0	109.3	P154 G157 T158 V160 I201 V203 L222	P154-I189 HydrophobicContact CB-CD1 3.77Å; P154-I189 HydrophobicContact CG-CD1 3.4Å; G157-I189 PolarHBondContact N-O 2.87Å; T158-I189 PolarHBondContact O-N 3.05Å; V160-I189 HydrophobicContact CG1-CD1 3.76Å; V160-I189 HydrophobicContact CG1-CG1 3.92Å; V160-I189 HydrophobicContact CG2-CG1 4.04Å; I189-I201 HydrophobicContact CD1-CG2 4.21Å; I189-I201 HydrophobicContact CG1-CG2 4.28Å; I189-I201 HydrophobicContact CG2-CG2 4.26Å; I189-V203 HydrophobicContact CG1-CG1 4.32Å; I189-L222 HydrophobicContact CD1-CD2 4.42Å
190	M	93.9	Very high	92.9	Very high	21 Å²	21	46.4 Å²	46.4	10%	0.103	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	162.5	174.9	64.9	177.1	-74.9	0	0	111.1	R193 C202 K204 L243 I247	M190-R193 HydrophobicContact CE-CG 4.35Å; M190-C202 HydrophobicContact CG-CB 3.97Å; M190-C202 PolarHBondContact N-O 3.39Å; M190-C202 VanDerWaalsContact O-O 3.14Å; M190-K204 HydrophobicContact CB-CG 4.47Å; M190-K204 HydrophobicContact CG-CG 4.37Å; M190-K204 HydrophobicContact SD-CB 3.63Å; M190-K204 HydrophobicContact SD-CD 3.83Å; M190-K204 HydrophobicContact SD-CG 3.8Å; M190-L243 HydrophobicContact CE-CD1 4.21Å; M190-I247 HydrophobicContact CE-CD1 3.73Å; M190-I247 HydrophobicContact CE-CG1 4.15Å; M190-I247 HydrophobicContact SD-CD1 4Å; M190-I247 HydrophobicContact SD-CG1 3.75Å
191	E	93.8	Very high	93.2	Very high	121 Å²	121	46.6 Å²	46.6	57%	0.565	24%	0.244	S	C	*	.			trans	-61.6	137.7	166.3	-68.8	-59.6	158.7	0	0	110.6	P156 R193	P156-E191 HydrophobicContact CB-CG 4.29Å; P156-E191 VanDerWaalsContact CG-CD 3.49Å; P156-E191 HydrophobicContact CG-CG 3.6Å; P156-E191 WeakPolarHBondContact CG-OE1 3.39Å; E191-R193 PolarHBondContact O-N 3.26Å
192	C	93	Very high	93.3	Very high	33 Å²	33	46 Å²	46	22%	0.223	24%	0.241	C	C	.	.			trans	-70.7	109.7	169.4	-63.8	0	0	0	0	108.7	H194 T196 C202	C192-H194 VanDerWaalsContact C-N 3.26Å; C192-H194 PolarHBondContact O-N 3.27Å; C192-T196 HydrophobicContact CB-CG2 3.92Å; C192-C202 WeakPolarHBondContact CA-SG 3.45Å; C192-C202 HydrophobicContact CB-CB 4.06Å; C192-C202 WeakPolarHBondContact CB-SG 3.33Å; C192-C202 WeakPolarHBondContact SG-CB 3.47Å; C192-C202 CovalentContact SG-SG 2.04Å; C192-C202 PolarHBondContact SG-SG 3.3Å
193	R	90	Very high	93.2	Very high	187 Å²	187	45.9 Å²	45.9	71%	0.706	24%	0.241	S	C	*	.			trans	-95	35.2	-175.1	-64.2	-175.5	179.1	-165.7	-2.9	112.4	M190 E191	M190-R193 HydrophobicContact CE-CG 4.35Å; E191-R193 PolarHBondContact O-N 3.26Å
194	H	90.7	Very high	93.2	Very high	46 Å²	46	50 Å²	50	21%	0.213	26%	0.259	C	S	.	.	S	Bend	trans	-157.5	165.6	-177.6	57.6	-81.9	0	0	0	110.1	C192 T196 L240 E249	C192-H194 VanDerWaalsContact C-N 3.26Å; C192-H194 PolarHBondContact O-N 3.27Å; H194-T196 PolarHBondContact O-N 3.04Å; H194-L240 HydrophobicContact CB-CD1 4.16Å; H194-L240 HydrophobicContact CB-CD2 3.89Å; H194-E249 IonicContact CD2-OE1 3.02Å; H194-E249 IonicContact CE1-OE1 3.58Å; H194-E249 IonicContact NE2-OE1 2.77Å; H194-E249 PolarHBondContact NE2-OE1 3.29Å
195	A	92	Very high	92.9	Very high	102 Å²	102	49.1 Å²	49.1	84%	0.843	26%	0.258	S	S	*	.			trans	-66.5	129.9	176.3	0	0	0	0	0	110.2
196	T	93.3	Very high	92.2	Very high	46 Å²	46	49.2 Å²	49.2	28%	0.282	26%	0.259	S	S	.	.			trans	-129.5	157.5	-179.3	60.9	0	0	0	0	110.9	C192 H194 P200	C192-T196 HydrophobicContact CB-CG2 3.92Å; H194-T196 PolarHBondContact O-N 3.04Å; T196-P200 VanDerWaalsContact CB-CD 3.49Å; T196-P200 HydrophobicContact CG2-CG 3.76Å; T196-P200 WeakPolarHBondContact OG1-CD 3.28Å
197	N	93.4	Very high	90.9	Very high	66 Å²	66	51.7 Å²	51.7	35%	0.353	28%	0.276	S	S	.	.	S	Bend	trans	-110.3	130.3	171.4	-71.1	-67.7	0	0	0	110	T121 L122 G124	T121-N197 WeakPolarHBondContact O-CB 3.4Å; T121-N197 PolarHBondContact O-ND2 2.98Å; L122-N197 HydrophobicContact CD2-CB 3.92Å; G124-N197 VanDerWaalsContact CA-O 3.28Å; G124-N197 WeakPolarHBondContact CA-O 3.44Å; G124-N197 PolarHBondContact N-O 2.85Å
198	G	91.8	Very high	89.4	Confident	26 Å²	26	58.2 Å²	58.2	27%	0.268	31%	0.311	S	S	.	.	S	Bend	trans	79.4	13.2	176.1	0	0	0	0	0	115.4	G124 F125	G124-G198 WeakPolarHBondContact CA-O 3.4Å; F125-G198 VanDerWaalsContact CZ-CA 3.44Å
199	N	93.9	Very high	87.8	Confident	90 Å²	90	61.7 Å²	61.7	48%	0.481	32%	0.324	S	S	.	.			trans	52.1	67.2	177.4	-167.7	5.1	0	0	0	112.6	R255	N199-R255 VanDerWaalsContact CG-CZ 3.46Å; N199-R255 PolarHBondContact ND2-NE 3.2Å; N199-R255 WeakPolarHBondContact O-CD 3.08Å; N199-R255 PolarHBondContact O-NH1 3.12Å
200	P	96.1	Very high	86.5	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.019	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-66.8	170.1	175.8	31.4	-35.6	0	0	0	111.8	T196 E249 Y250 R255	T196-P200 VanDerWaalsContact CB-CD 3.49Å; T196-P200 HydrophobicContact CG2-CG 3.76Å; T196-P200 WeakPolarHBondContact OG1-CD 3.28Å; P200-E249 HydrophobicContact CB-CB 4.07Å; P200-E249 HydrophobicContact CB-CG 4.29Å; P200-E249 HydrophobicContact CG-CB 4.43Å; P200-E249 HydrophobicContact CG-CG 4.13Å; P200-E249 VanDerWaalsContact CG-OE2 3.28Å; P200-E249 WeakPolarHBondContact CG-OE2 3.48Å; P200-Y250 CarbonylContact C-O 3.57Å; P200-Y250 WeakPolarHBondContact CA-O 3.26Å; P200-Y250 WeakPolarHBondContact CB-O 3.1Å; P200-R255 PolarHBondContact O-NH1 3.18Å
201	I	96.6	Very high	85.8	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.036	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	124.5	165.9	-62.3	167.2	0	0	0	107.3	I153 I189 V203 L222 L231 E249 Y250	I153-I201 HydrophobicContact CG2-CD1 4.38Å; I153-I201 HydrophobicContact CG2-CG1 4.46Å; I189-I201 HydrophobicContact CD1-CG2 4.21Å; I189-I201 HydrophobicContact CG1-CG2 4.28Å; I189-I201 HydrophobicContact CG2-CG2 4.26Å; I201-V203 HydrophobicContact CG2-CG1 4.31Å; I201-L222 HydrophobicContact CG2-CD2 3.85Å; I201-L231 HydrophobicContact CD1-CB 4.39Å; I201-E249 WeakPolarHBondContact O-CA 3.3Å; I201-Y250 PolarHBondContact N-O 2.81Å; I201-Y250 PolarHBondContact O-N 3.07Å
202	C	95.5	Very high	85.3	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.014	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.5	175.7	-72.3	0	0	0	0	110.7	M190 C192 I247	M190-C202 HydrophobicContact CG-CB 3.97Å; M190-C202 PolarHBondContact N-O 3.39Å; M190-C202 VanDerWaalsContact O-O 3.14Å; C192-C202 WeakPolarHBondContact CA-SG 3.45Å; C192-C202 HydrophobicContact CB-CB 4.06Å; C192-C202 WeakPolarHBondContact CB-SG 3.33Å; C192-C202 WeakPolarHBondContact SG-CB 3.47Å; C192-C202 CovalentContact SG-SG 2.04Å; C192-C202 PolarHBondContact SG-SG 3.3Å; C202-I247 HydrophobicContact CB-CG2 3.72Å
203	V	94.3	Very high	84.8	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.2	174.2	-49.3	0	0	0	0	110.8	A187 T188 I189 I201 L212 L222 I247 V248 Y250	A187-V203 HydrophobicContact CB-CB 4.27Å; A187-V203 HydrophobicContact CB-CG2 4.31Å; T188-V203 WeakPolarHBondContact O-CA 3.48Å; I189-V203 HydrophobicContact CG1-CG1 4.32Å; I201-V203 HydrophobicContact CG2-CG1 4.31Å; V203-L212 HydrophobicContact CG2-CD2 4.26Å; V203-L222 HydrophobicContact CG1-CD1 4.09Å; V203-L222 HydrophobicContact CG1-CD2 3.91Å; V203-I247 CarbonylContact O-C 3.59Å; V203-I247 WeakPolarHBondContact O-CA 3.47Å; V203-V248 HydrophobicContact CG2-CB 3.89Å; V203-V248 PolarHBondContact N-O 3.01Å; V203-V248 PolarHBondContact O-N 3.11Å; V203-Y250 HydrophobicContact CB-CE2 4.41Å; V203-Y250 HydrophobicContact CG1-CD2 4Å; V203-Y250 HydrophobicContact CG1-CE2 4.05Å; V203-Y250 HydrophobicContact CG2-CD2 3.96Å; V203-Y250 HydrophobicContact CG2-CE2 3.43Å; V203-Y250 VanDerWaalsContact CG2-CE2 3.43Å
204	K	91.9	Very high	84.6	Confident	90 Å²	90	46.9 Å²	46.9	39%	0.391	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	165.3	170.6	58.2	175.2	-176.1	178.7	0	110.4	T188 M190 G206 L212	T188-K204 PolarHBondContact N-O 3.47Å; T188-K204 PolarHBondContact O-N 3.32Å; M190-K204 HydrophobicContact CB-CG 4.47Å; M190-K204 HydrophobicContact CG-CG 4.37Å; M190-K204 HydrophobicContact SD-CB 3.63Å; M190-K204 HydrophobicContact SD-CD 3.83Å; M190-K204 HydrophobicContact SD-CG 3.8Å; K204-G206 PolarHBondContact O-N 2.98Å; K204-L212 VanDerWaalsContact C-CD2 3.45Å
205	A	88.1	Confident	84.5	Confident	19 Å²	19	47.6 Å²	47.6	16%	0.157	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.7	136.1	168.6	0	0	0	0	0	110.3	L212	A205-L212 HydrophobicContact CB-CD1 4.17Å; A205-L212 HydrophobicContact CB-CG 4.03Å; A205-L212 VanDerWaalsContact N-CD2 3.33Å
206	G	75.8	Confident	84.4	Confident	8 Å²	8	43.1 Å²	43.1	8%	0.082	24%	0.24	C	C	.	.			trans	-63.6	150.1	170.9	0	0	0	0	0	110.6	K204 N208 F209	K204-G206 PolarHBondContact O-N 2.98Å; G206-N208 PolarHBondContact O-N 3Å; G206-F209 PolarHBondContact O-N 3.08Å
207	Q	64	Low	84.5	Confident	184 Å²	184	41 Å²	41	86%	0.86	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.2	-172.5	-69.2	-177.4	2.2	0	0	114.6
208	N	60.8	Low	84.7	Confident	138 Å²	138	38.7 Å²	38.7	74%	0.738	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.9	-4.6	-177	-60.9	-28.1	0	0	0	114.3	G206	G206-N208 PolarHBondContact O-N 3Å
209	F	59.9	Low	85	Confident	98 Å²	98	37.4 Å²	37.4	43%	0.43	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.2	-18.5	-160.7	-65.4	-70.4	0	0	0	114.9	G206 Q211	G206-F209 PolarHBondContact O-N 3.08Å; F209-Q211 HydrophobicContact CB-CB 4.39Å; F209-Q211 HydrophobicContact CB-CG 4.29Å; F209-Q211 VanDerWaalsContact O-CG 3.29Å; F209-Q211 WeakPolarHBondContact O-CG 3.49Å; F209-Q211 PolarHBondContact O-N 2.88Å
210	G	67.7	Low	85.2	Confident	24 Å²	24	33.1 Å²	33.1	25%	0.247	18%	0.18	C	C	.	.			trans	57	8.1	177.3	0	0	0	0	0	114.9	R29	R29-G210 VanDerWaalsContact CB-O 3.3Å; R29-G210 WeakPolarHBondContact CB-O 3.49Å; R29-G210 VanDerWaalsContact CD-O 3.28Å; R29-G210 WeakPolarHBondContact CD-O 3.29Å; R29-G210 WeakPolarHBondContact CG-O 3.35Å
211	Q	78.4	Confident	85.3	Confident	19 Å²	19	33 Å²	33	9%	0.089	18%	0.179	C	C	.	.			trans	-89.8	126	-170.3	-78	159.6	-0.8	0	0	110.8	R29 S30 I162 F209	R29-Q211 WeakPolarHBondContact O-CA 3.18Å; R29-Q211 WeakPolarHBondContact O-CG 3.4Å; S30-Q211 WeakPolarHBondContact O-CG 3.38Å; S30-Q211 PolarHBondContact O-NE2 3.41Å; I162-Q211 HydrophobicContact CD1-CB 4.32Å; F209-Q211 HydrophobicContact CB-CB 4.39Å; F209-Q211 HydrophobicContact CB-CG 4.29Å; F209-Q211 VanDerWaalsContact O-CG 3.29Å; F209-Q211 WeakPolarHBondContact O-CG 3.49Å; F209-Q211 PolarHBondContact O-N 2.88Å
212	L	83.7	Confident	85.3	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.016	18%	0.178	C	C	.	.			trans	-149	154.3	179.5	-80.1	175.4	0	0	0	109.8	L27 I28 V203 K204 A205 I246 V248	L27-L212 CarbonylContact C-O 3.43Å; L27-L212 CarbonylContact O-C 3.13Å; I28-L212 WeakPolarHBondContact CA-O 3.39Å; I28-L212 WeakPolarHBondContact CG1-O 3.41Å; I28-L212 PolarHBondContact N-O 3.43Å; V203-L212 HydrophobicContact CG2-CD2 4.26Å; K204-L212 VanDerWaalsContact C-CD2 3.45Å; A205-L212 HydrophobicContact CB-CD1 4.17Å; A205-L212 HydrophobicContact CB-CG 4.03Å; A205-L212 VanDerWaalsContact N-CD2 3.33Å; L212-I246 HydrophobicContact CD1-CB 4.07Å; L212-I246 HydrophobicContact CD1-CD1 4.38Å; L212-I246 WeakPolarHBondContact CD1-O 3.23Å; L212-V248 HydrophobicContact CB-CG2 4.32Å; L212-V248 HydrophobicContact CD2-CG2 4.13Å
213	P	83.1	Confident	85.4	Confident	6 Å²	6	32.6 Å²	32.6	4%	0.039	18%	0.177	C	C	.	.			trans	-58.5	151.4	175.1	-31.5	37	0	0	0	117.5	I162 D217 V234 V248 Y250	I162-P213 HydrophobicContact CD1-CG 4.48Å; P213-D217 HydrophobicContact CB-CB 3.98Å; P213-V234 HydrophobicContact CB-CB 4.43Å; P213-V234 HydrophobicContact CB-CG1 3.61Å; P213-V234 HydrophobicContact CB-CG2 3.83Å; P213-V234 HydrophobicContact CG-CG1 4.2Å; P213-V234 HydrophobicContact CG-CG2 3.68Å; P213-V248 HydrophobicContact CB-CG1 4.07Å; P213-V248 HydrophobicContact CB-CG2 4.35Å; P213-V248 HydrophobicContact CG-CB 4.34Å; P213-V248 HydrophobicContact CG-CG1 3.89Å; P213-V248 HydrophobicContact CG-CG2 4.34Å; P213-Y250 HydrophobicContact CG-CE2 4.09Å; P213-Y250 WeakPolarHBondContact CG-OH 3.25Å
214	A	85.9	Confident	85.4	Confident	8 Å²	8	35 Å²	35	7%	0.066	19%	0.192	C	C	.	.			trans	-110.6	172.7	174	0	0	0	0	0	114.5	W26 R167 G216 D217	W26-A214 WeakPolarHBondContact O-CA 3.14Å; R167-A214 HydrophobicContact CB-CB 4.27Å; R167-A214 WeakPolarHBondContact O-CB 3.22Å; A214-G216 PolarHBondContact O-N 3.37Å; A214-D217 WeakPolarHBondContact CA-OD2 3.23Å; A214-D217 WeakPolarHBondContact CB-OD2 3.32Å; A214-D217 PolarHBondContact N-OD2 2.84Å; A214-D217 WeakPolarHBondContact O-CB 2.93Å; A214-D217 PolarHBondContact O-N 2.65Å
215	P	88.2	Confident	85.6	Confident	61 Å²	61	33.3 Å²	33.3	40%	0.396	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49	123.3	148.7	-28.2	36.9	0	0	0	111.8	W26 G166 R167	W26-P215 WeakPolarHBondContact O-CD 3.45Å; G166-P215 WeakPolarHBondContact CA-O 3.41Å; R167-P215 PolarHBondContact N-O 3.17Å
216	G	91	Very high	85.7	Confident	7 Å²	7	34.8 Å²	34.8	7%	0.072	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	102.9	-22.4	-174.6	0	0	0	0	0	113.6	M52 C53 T54 A214	M52-G216 WeakPolarHBondContact O-CA 3.33Å; C53-G216 CarbonylContact C-O 3.57Å; C53-G216 WeakPolarHBondContact CA-O 3.2Å; T54-G216 PolarHBondContact N-O 3.42Å; T54-G216 PolarHBondContact OG1-O 2.63Å; A214-G216 PolarHBondContact O-N 3.37Å
217	D	95.6	Very high	86.4	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-13.4	172.5	-60.1	-56.8	0	0	0	113.3	I28 G164 Y165 G166 P213 A214 G219 G220 V234	I28-D217 HydrophobicContact CD1-CB 4.06Å; I28-D217 WeakPolarHBondContact CD1-OD1 3.21Å; I28-D217 WeakPolarHBondContact CD1-OD2 2.95Å; I28-D217 WeakPolarHBondContact CG1-OD2 3.21Å; G164-D217 WeakPolarHBondContact CA-OD1 3.48Å; Y165-D217 PolarHBondContact N-OD1 2.75Å; G166-D217 WeakPolarHBondContact CA-OD1 3.12Å; G166-D217 VanDerWaalsContact CA-OD2 3.26Å; G166-D217 WeakPolarHBondContact CA-OD2 3.36Å; G166-D217 VanDerWaalsContact N-CG 3.33Å; G166-D217 PolarHBondContact N-OD1 2.99Å; P213-D217 HydrophobicContact CB-CB 3.98Å; A214-D217 WeakPolarHBondContact CA-OD2 3.23Å; A214-D217 WeakPolarHBondContact CB-OD2 3.32Å; A214-D217 PolarHBondContact N-OD2 2.84Å; A214-D217 WeakPolarHBondContact O-CB 2.93Å; A214-D217 PolarHBondContact O-N 2.65Å; D217-G219 PolarHBondContact O-N 2.91Å; D217-G220 VanDerWaalsContact O-CA 3.32Å; D217-G220 WeakPolarHBondContact O-CA 3.26Å; D217-G220 PolarHBondContact O-N 3.18Å; D217-V234 HydrophobicContact CB-CG2 4.45Å; D217-V234 WeakPolarHBondContact O-CB 3.48Å; D217-V234 WeakPolarHBondContact O-CG2 3.15Å
218	S	96.6	Very high	87.8	Confident	18 Å²	18	32.1 Å²	32.1	13%	0.126	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-35.6	125.4	167	-69.7	0	0	0	0	112.5	C53 T54 H68 C69 G220	C53-S218 WeakPolarHBondContact CB-O 3.26Å; T54-S218 PolarHBondContact N-O 3.18Å; T54-S218 VanDerWaalsContact O-O 3.08Å; H68-S218 PolarHBondContact CE1-OG 2.73Å; H68-S218 WeakPolarHBondContact NE2-CB 3.18Å; H68-S218 PolarHBondContact NE2-OG 3.1Å; C69-S218 VanDerWaalsContact SG-CB 3.58Å; S218-G220 PolarHBondContact O-N 2.85Å
219	G	98	Very high	89.6	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.1	-8.2	-175.6	0	0	0	0	0	115.8	T54 T65 A66 D217 V234	T54-G219 CarbonylContact O-C 3.58Å; T54-G219 VanDerWaalsContact O-CA 3.27Å; T54-G219 WeakPolarHBondContact O-CA 3.48Å; T65-G219 WeakPolarHBondContact OG1-CA 3.38Å; A66-G219 VanDerWaalsContact N-CA 3.31Å; D217-G219 PolarHBondContact O-N 2.91Å; G219-V234 PolarHBondContact N-O 2.88Å
220	G	97.7	Very high	91.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-66.6	150.1	176.5	0	0	0	0	0	112.5	D217 S218 V233 V234	D217-G220 VanDerWaalsContact O-CA 3.32Å; D217-G220 WeakPolarHBondContact O-CA 3.26Å; D217-G220 PolarHBondContact O-N 3.18Å; S218-G220 PolarHBondContact O-N 2.85Å; G220-V233 CarbonylContact O-C 3.53Å; G220-V233 WeakPolarHBondContact O-CA 3.03Å; G220-V234 WeakPolarHBondContact O-CG2 3.27Å; G220-V234 PolarHBondContact O-N 2.99Å
221	P	97.9	Very high	92.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	145.7	-170.7	33	-36.8	0	0	0	113	F42 I43 S56 V163 L223 V230 G232	F42-P221 HydrophobicContact CE2-CG 4.22Å; I43-P221 VanDerWaalsContact CD1-CD 3.46Å; I43-P221 HydrophobicContact CD1-CG 3.8Å; S56-P221 WeakPolarHBondContact OG-CB 3.38Å; S56-P221 WeakPolarHBondContact OG-CG 3.3Å; V163-P221 HydrophobicContact CG1-CG 3.6Å; P221-L223 HydrophobicContact CB-CD2 3.83Å; P221-L223 HydrophobicContact CB-CG 4.02Å; P221-L223 HydrophobicContact CG-CD1 4.21Å; P221-L223 HydrophobicContact CG-CD2 4.34Å; P221-L223 HydrophobicContact CG-CG 4.2Å; P221-V230 HydrophobicContact CB-CB 4.47Å; P221-V230 HydrophobicContact CB-CG1 3.71Å; P221-V230 HydrophobicContact CB-CG2 4.16Å; P221-G232 CarbonylContact C-O 3.54Å; P221-G232 WeakPolarHBondContact CA-O 3.37Å
222	L	97.3	Very high	93.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.6	158.9	-166.9	64.8	0	0	0	109.2	V160 I162 I189 I201 V203 L231 G232 Y250	V160-L222 HydrophobicContact CB-CD1 3.9Å; V160-L222 HydrophobicContact CB-CG 4.25Å; V160-L222 HydrophobicContact CG2-CD1 3.53Å; V160-L222 HydrophobicContact CG2-CG 4.23Å; I162-L222 HydrophobicContact CG2-CD1 3.77Å; I189-L222 HydrophobicContact CD1-CD2 4.42Å; I201-L222 HydrophobicContact CG2-CD2 3.85Å; V203-L222 HydrophobicContact CG1-CD1 4.09Å; V203-L222 HydrophobicContact CG1-CD2 3.91Å; L222-L231 HydrophobicContact CB-CB 4.3Å; L222-L231 HydrophobicContact CD2-CB 4.44Å; L222-L231 WeakPolarHBondContact O-CB 3.29Å; L222-L231 PolarHBondContact O-N 2.89Å; L222-G232 PolarHBondContact N-O 2.81Å; L222-Y250 HydrophobicContact CB-CD1 3.59Å; L222-Y250 HydrophobicContact CB-CE1 3.58Å; L222-Y250 HydrophobicContact CB-CG 4.27Å; L222-Y250 HydrophobicContact CD1-CE1 4.05Å; L222-Y250 HydrophobicContact CD1-CE2 4.25Å; L222-Y250 HydrophobicContact CD2-CD1 4.44Å; L222-Y250 HydrophobicContact CD2-CG 4.3Å; L222-Y250 HydrophobicContact CG-CD1 4.42Å; L222-Y250 HydrophobicContact CG-CE1 4.33Å
223	L	97.1	Very high	94.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	136.7	-170.6	-59	175.2	0	0	0	111.8	F40 F42 I145 V160 F161 V163 P221 S225 V230	F40-L223 HydrophobicContact CE1-CD1 4.38Å; F42-L223 HydrophobicContact CE2-CD1 4.08Å; F42-L223 HydrophobicContact CZ-CD1 3.76Å; I145-L223 HydrophobicContact CD1-CD2 3.66Å; V160-L223 WeakPolarHBondContact CA-O 3.3Å; F161-L223 HydrophobicContact CB-CB 4.18Å; F161-L223 PolarHBondContact N-O 2.82Å; F161-L223 PolarHBondContact O-N 3.07Å; V163-L223 HydrophobicContact CG1-CD1 4.19Å; P221-L223 HydrophobicContact CB-CD2 3.83Å; P221-L223 HydrophobicContact CB-CG 4.02Å; P221-L223 HydrophobicContact CG-CD1 4.21Å; P221-L223 HydrophobicContact CG-CD2 4.34Å; P221-L223 HydrophobicContact CG-CG 4.2Å; L223-S225 VanDerWaalsContact C-N 3.32Å; L223-S225 WeakPolarHBondContact CB-O 3.49Å; L223-V230 HydrophobicContact CD2-CG2 4.34Å
224	P	95.8	Very high	95.2	Very high	50 Å²	50	19.9 Å²	19.9	33%	0.325	12%	0.12	S	C	.	.	S	Bend	trans	-76.2	-25.6	174.8	31	-30.3	0	0	0	111.6	P229 L231	P224-P229 WeakPolarHBondContact CD-O 3.45Å; P224-P229 HydrophobicContact CG-CG 4.21Å; P224-L231 HydrophobicContact CB-CD1 4.14Å; P224-L231 HydrophobicContact CG-CD1 4.32Å; P224-L231 HydrophobicContact CG-CD2 4.41Å; P224-L231 HydrophobicContact CG-CG 4.41Å
225	S	94.4	Very high	95.7	Very high	56 Å²	56	19.8 Å²	19.8	39%	0.392	12%	0.118	S	C	.	.	S	Bend	trans	-151.2	163.4	174.3	65.1	0	0	0	0	108.5	L223 Q227 G228	L223-S225 VanDerWaalsContact C-N 3.32Å; L223-S225 WeakPolarHBondContact CB-O 3.49Å; S225-Q227 PolarHBondContact O-N 2.96Å; S225-G228 PolarHBondContact O-N 3.37Å; S225-G228 WeakPolarHBondContact OG-CA 3.48Å; S225-G228 PolarHBondContact OG-N 2.99Å; S225-G228 VanDerWaalsContact OG-N 3.12Å
226	L	91.3	Very high	95.8	Very high	49 Å²	49	19.3 Å²	19.3	26%	0.257	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-24.5	-174.3	-62.8	177.6	0	0	0	114.2	F40 F42 F161	F40-L226 HydrophobicContact CE1-CD2 3.82Å; F40-L226 HydrophobicContact CZ-CD2 3.62Å; F42-L226 WeakPolarHBondContact CE1-O 3.47Å; F161-L226 HydrophobicContact CB-CD2 4.44Å; F161-L226 HydrophobicContact CD1-CD2 3.52Å; F161-L226 HydrophobicContact CD1-CG 4.38Å; F161-L226 HydrophobicContact CD2-CD2 4.45Å; F161-L226 HydrophobicContact CE1-CD2 3.72Å; F161-L226 HydrophobicContact CE1-CG 4.2Å; F161-L226 HydrophobicContact CG-CD2 3.9Å; F161-L226 HydrophobicContact CZ-CD2 4.27Å; F161-L226 HydrophobicContact CZ-CG 4.28Å
227	Q	89.7	Confident	95.8	Very high	130 Å²	130	20.6 Å²	20.6	61%	0.607	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120.9	14.6	177.9	-67.4	69.8	46.8	0	0	112.4	S225	S225-Q227 PolarHBondContact O-N 2.96Å
228	G	94.5	Very high	95.5	Very high	6 Å²	6	21.3 Å²	21.3	6%	0.062	13%	0.128	C	C	.	.	S	Bend	trans	-76.1	175.5	177.6	0	0	0	0	0	112.7	I145 S225	I145-G228 WeakPolarHBondContact CD1-O 3.36Å; I145-G228 WeakPolarHBondContact CG1-O 3.4Å; S225-G228 PolarHBondContact O-N 3.37Å; S225-G228 WeakPolarHBondContact OG-CA 3.48Å; S225-G228 PolarHBondContact OG-N 2.99Å; S225-G228 VanDerWaalsContact OG-N 3.12Å
229	P	97.8	Very high	95.1	Very high	22 Å²	22	24 Å²	24	14%	0.143	14%	0.144	C	C	.	.			trans	-67	156.4	178.8	28	-35.8	0	0	0	113	S146 P148 P224 L231	S146-P229 VanDerWaalsContact O-CA 3.23Å; S146-P229 WeakPolarHBondContact O-CA 3.47Å; S146-P229 WeakPolarHBondContact OG-CA 3.14Å; P148-P229 HydrophobicContact CB-CB 4.04Å; P148-P229 HydrophobicContact CB-CG 4.39Å; P224-P229 WeakPolarHBondContact CD-O 3.45Å; P224-P229 HydrophobicContact CG-CG 4.21Å; P229-L231 HydrophobicContact CG-CD2 4.46Å; P229-L231 PolarHBondContact O-N 3.43Å; P229-L231 VanDerWaalsContact O-N 3.13Å
230	V	98.3	Very high	94.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.152	C	C	.	.			trans	-75.7	97.1	175	-174.1	0	0	0	0	110.4	L64 I145 S146 P148 P221 L223 G232 V233 V253	L64-V230 HydrophobicContact CD2-CG1 4.17Å; I145-V230 HydrophobicContact CB-CG2 4.36Å; I145-V230 HydrophobicContact CD1-CG2 4.04Å; I145-V230 HydrophobicContact CG1-CG2 3.99Å; I145-V230 HydrophobicContact CG2-CG2 3.45Å; I145-V230 VanDerWaalsContact CG2-CG2 3.45Å; S146-V230 PolarHBondContact O-N 2.94Å; S146-V230 VanDerWaalsContact O-N 3.08Å; P148-V230 WeakPolarHBondContact CD-O 3.35Å; P148-V230 VanDerWaalsContact CG-O 3.25Å; P148-V230 WeakPolarHBondContact CG-O 3.36Å; P221-V230 HydrophobicContact CB-CB 4.47Å; P221-V230 HydrophobicContact CB-CG1 3.71Å; P221-V230 HydrophobicContact CB-CG2 4.16Å; L223-V230 HydrophobicContact CD2-CG2 4.34Å; V230-G232 VanDerWaalsContact C-N 3.34Å; V230-G232 WeakPolarHBondContact CG1-O 3.46Å; V230-G232 PolarHBondContact O-N 2.68Å; V230-V233 HydrophobicContact CG1-CG1 4.37Å; V230-V253 HydrophobicContact CG1-CG2 4.01Å; V230-V253 VanDerWaalsContact O-CB 3.23Å; V230-V253 WeakPolarHBondContact O-CB 3.27Å; V230-V253 WeakPolarHBondContact O-CG2 3.03Å
231	L	98.2	Very high	93.8	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	19%	0.191	C	C	.	.			trans	-67	-36.7	-177.9	-58.1	174.8	0	0	0	112.7	P148 D152 P154 V160 I201 L222 P224 P229 V253	P148-L231 HydrophobicContact CB-CD2 4.32Å; D152-L231 HydrophobicContact CB-CD2 3.98Å; D152-L231 VanDerWaalsContact O-CD2 3.27Å; D152-L231 WeakPolarHBondContact O-CD2 3.18Å; P154-L231 HydrophobicContact CG-CD1 3.66Å; V160-L231 HydrophobicContact CG1-CD1 4.33Å; I201-L231 HydrophobicContact CD1-CB 4.39Å; L222-L231 HydrophobicContact CB-CB 4.3Å; L222-L231 HydrophobicContact CD2-CB 4.44Å; L222-L231 WeakPolarHBondContact O-CB 3.29Å; L222-L231 PolarHBondContact O-N 2.89Å; P224-L231 HydrophobicContact CB-CD1 4.14Å; P224-L231 HydrophobicContact CG-CD1 4.32Å; P224-L231 HydrophobicContact CG-CD2 4.41Å; P224-L231 HydrophobicContact CG-CG 4.41Å; P229-L231 HydrophobicContact CG-CD2 4.46Å; P229-L231 PolarHBondContact O-N 3.43Å; P229-L231 VanDerWaalsContact O-N 3.13Å; L231-V253 PolarHBondContact O-N 2.93Å
232	G	98	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	164	-174.6	0	0	0	0	0	111.6	P221 L222 V230 A251	P221-G232 CarbonylContact C-O 3.54Å; P221-G232 WeakPolarHBondContact CA-O 3.37Å; L222-G232 PolarHBondContact N-O 2.81Å; V230-G232 VanDerWaalsContact C-N 3.34Å; V230-G232 WeakPolarHBondContact CG1-O 3.46Å; V230-G232 PolarHBondContact O-N 2.68Å; G232-A251 CarbonylContact C-O 3.46Å; G232-A251 WeakPolarHBondContact CA-O 3.4Å
233	V	98.3	Very high	92	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	138.3	170.3	-64	0	0	0	0	110.7	L64 I127 G220 V230 S235 Y250 A251 V253	L64-V233 HydrophobicContact CD2-CG1 4.14Å; L64-V233 HydrophobicContact CG-CG1 3.99Å; I127-V233 HydrophobicContact CG1-CG2 4.03Å; G220-V233 CarbonylContact O-C 3.53Å; G220-V233 WeakPolarHBondContact O-CA 3.03Å; V230-V233 HydrophobicContact CG1-CG1 4.37Å; V233-S235 PolarHBondContact O-N 2.97Å; V233-Y250 CarbonylContact O-C 3.57Å; V233-Y250 WeakPolarHBondContact O-CA 3.45Å; V233-A251 HydrophobicContact CG2-CB 3.87Å; V233-A251 PolarHBondContact N-O 3.33Å; V233-A251 PolarHBondContact O-N 2.88Å; V233-V253 HydrophobicContact CG1-CG2 4.33Å
234	V	97.5	Very high	90.8	Very high	8 Å²	8	48.1 Å²	48.1	5%	0.048	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	122.4	-179.8	176.3	0	0	0	0	109.7	P213 D217 G219 G220 V248 Y250	P213-V234 HydrophobicContact CB-CB 4.43Å; P213-V234 HydrophobicContact CB-CG1 3.61Å; P213-V234 HydrophobicContact CB-CG2 3.83Å; P213-V234 HydrophobicContact CG-CG1 4.2Å; P213-V234 HydrophobicContact CG-CG2 3.68Å; D217-V234 HydrophobicContact CB-CG2 4.45Å; D217-V234 WeakPolarHBondContact O-CB 3.48Å; D217-V234 WeakPolarHBondContact O-CG2 3.15Å; G219-V234 PolarHBondContact N-O 2.88Å; G220-V234 WeakPolarHBondContact O-CG2 3.27Å; G220-V234 PolarHBondContact O-N 2.99Å; V234-V248 HydrophobicContact CG1-CG1 4.17Å; V234-Y250 HydrophobicContact CB-CE1 4.17Å; V234-Y250 HydrophobicContact CG2-CD1 4.16Å; V234-Y250 HydrophobicContact CG2-CE1 3.34Å; V234-Y250 HydrophobicContact CG2-CE2 4.33Å; V234-Y250 VanDerWaalsContact CG2-CZ 3.47Å; V234-Y250 WeakPolarHBondContact CG2-OH 3.21Å; V234-Y250 VanDerWaalsContact N-CD1 3.33Å
235	S	96.3	Very high	89.9	Confident	6 Å²	6	48.1 Å²	48.1	4%	0.042	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-72.4	177.1	-179.2	0	0	0	0	111.6	H68 S123 D126 V233 E249	H68-S235 PolarHBondContact CE1-O 3.33Å; S123-S235 VanDerWaalsContact CB-OG 3.25Å; S123-S235 WeakPolarHBondContact CB-OG 3.4Å; S123-S235 PolarHBondContact OG-OG 2.96Å; D126-S235 WeakPolarHBondContact CB-OG 3.49Å; D126-S235 WeakPolarHBondContact OD2-CB 3.42Å; D126-S235 PolarHBondContact OD2-OG 3.39Å; V233-S235 PolarHBondContact O-N 2.97Å; S235-E249 WeakPolarHBondContact CB-O 3.2Å; S235-E249 PolarHBondContact N-O 3.17Å
236	H	91.4	Very high	89.5	Confident	51 Å²	51	45.7 Å²	45.7	24%	0.236	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	161	-177.8	80	-71.5	0	0	0	113.1	T121 S123 V238 V248 E249	T121-H236 WeakPolarHBondContact CG2-CE1 3.3Å; T121-H236 WeakPolarHBondContact CG2-NE2 3.38Å; S123-H236 WeakPolarHBondContact CB-ND1 3.37Å; S123-H236 PolarHBondContact OG-CE1 2.87Å; S123-H236 PolarHBondContact OG-ND1 3.47Å; H236-V238 WeakPolarHBondContact NE2-CG2 3.28Å; H236-V248 WeakPolarHBondContact O-CA 3.41Å; H236-E249 IonicContact CE1-OE1 3.51Å; H236-E249 IonicContact CE1-OE2 3.27Å; H236-E249 PolarHBondContact CE1-OE2 2.99Å; H236-E249 PolarHBondContact N-O 2.69Å; H236-E249 IonicContact ND1-OE2 3.18Å; H236-E249 PolarHBondContact O-N 2.85Å
237	G	90.7	Very high	89.4	Confident	33 Å²	33	43.5 Å²	43.5	34%	0.34	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	142.8	171.3	0	0	0	0	0	112	I247	G237-I247 CarbonylContact C-O 3.51Å; G237-I247 WeakPolarHBondContact CA-O 3.16Å
238	V	88.7	Confident	89.6	Confident	17 Å²	17	37.4 Å²	37.4	10%	0.103	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	124.8	179.7	-177.6	0	0	0	0	108.9	H236 L240 I246 I247 E249	H236-V238 WeakPolarHBondContact NE2-CG2 3.28Å; V238-L240 HydrophobicContact CG1-CD2 3.55Å; V238-L240 HydrophobicContact CG1-CG 3.97Å; V238-I246 WeakPolarHBondContact O-CG2 3.34Å; V238-I247 HydrophobicContact CB-CB 4.39Å; V238-I247 PolarHBondContact N-O 3.23Å; V238-I247 PolarHBondContact O-N 3.13Å; V238-E249 HydrophobicContact CG2-CG 4.02Å
239	T	87.8	Confident	89.7	Confident	75 Å²	75	37.4 Å²	37.4	46%	0.46	23%	0.226	S	C	.	.			trans	-99.1	123.1	169.8	-53.1	0	0	0	0	108.4	W26	W26-T239 VanDerWaalsContact CZ2-OG1 3.26Å; W26-T239 WeakPolarHBondContact CZ2-OG1 3.36Å
240	L	85	Confident	89.6	Confident	30 Å²	30	36.4 Å²	36.4	16%	0.157	22%	0.219	C	C	.	.			trans	-111.7	139.9	177.5	-61.9	-174.5	0	0	0	110.2	H194 V238 N242 L243 I247	H194-L240 HydrophobicContact CB-CD1 4.16Å; H194-L240 HydrophobicContact CB-CD2 3.89Å; V238-L240 HydrophobicContact CG1-CD2 3.55Å; V238-L240 HydrophobicContact CG1-CG 3.97Å; L240-N242 PolarHBondContact O-N 3.12Å; L240-N242 VanDerWaalsContact O-N 3.07Å; L240-L243 HydrophobicContact CB-CB 4.39Å; L240-L243 HydrophobicContact CB-CD1 4.33Å; L240-L243 HydrophobicContact CB-CG 4.44Å; L240-L243 HydrophobicContact CD1-CD1 3.86Å; L240-L243 HydrophobicContact CG-CD1 4.46Å; L240-L243 PolarHBondContact O-N 2.74Å; L240-L243 VanDerWaalsContact O-N 3.17Å; L240-I247 HydrophobicContact CD1-CD1 3.65Å; L240-I247 HydrophobicContact CG-CD1 4.29Å
241	P	83.4	Confident	89.6	Confident	129 Å²	129	36.4 Å²	36.4	84%	0.838	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-28.9	-179.7	-26.8	34.2	0	0	0	114.7
242	N	81.4	Confident	89.6	Confident	156 Å²	156	36.4 Å²	36.4	83%	0.834	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.1	11	-173.9	-62.4	-27.7	0	0	0	113.6	L240	L240-N242 PolarHBondContact O-N 3.12Å; L240-N242 VanDerWaalsContact O-N 3.07Å
243	L	77.3	Confident	89.6	Confident	51 Å²	51	36.4 Å²	36.4	27%	0.267	22%	0.219	S	C	.	.			trans	-125.2	134.2	176.2	-69.5	176.8	0	0	0	110.4	M190 L240 D245 I247	M190-L243 HydrophobicContact CE-CD1 4.21Å; L240-L243 HydrophobicContact CB-CB 4.39Å; L240-L243 HydrophobicContact CB-CD1 4.33Å; L240-L243 HydrophobicContact CB-CG 4.44Å; L240-L243 HydrophobicContact CD1-CD1 3.86Å; L240-L243 HydrophobicContact CG-CD1 4.46Å; L240-L243 PolarHBondContact O-N 2.74Å; L240-L243 VanDerWaalsContact O-N 3.17Å; L243-D245 PolarHBondContact O-N 2.94Å; L243-I247 HydrophobicContact CD1-CD1 3.25Å; L243-I247 HydrophobicContact CD1-CG1 3.82Å
244	P	70.3	Confident	89.5	Confident	139 Å²	139	36.7 Å²	36.7	90%	0.903	22%	0.222	S	C	*	.	S	Bend	trans	-72.2	-14	-177.4	30.1	-35.9	0	0	0	113.3
245	D	77.2	Confident	89.5	Confident	51 Å²	51	40.9 Å²	40.9	27%	0.273	24%	0.237	S	C	.	.	S	Bend	trans	-138.7	168.2	-176	-152	4.7	0	0	0	110.9	R29 L243	R29-D245 IonicContact NH1-OD1 2.63Å; R29-D245 PolarHBondContact NH1-OD1 3.46Å; R29-D245 IonicContact NH1-OD2 3.63Å; L243-D245 PolarHBondContact O-N 2.94Å
246	I	85.6	Confident	89.5	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	24%	0.24	C	C	.	.			trans	-72.5	145.5	-176.4	-47.7	119.3	0	0	0	110	W26 L212 V238	W26-I246 HydrophobicContact CB-CD1 4.15Å; W26-I246 HydrophobicContact CD2-CB 4.5Å; W26-I246 HydrophobicContact CD2-CD1 3.33Å; W26-I246 HydrophobicContact CD2-CG1 3.32Å; W26-I246 HydrophobicContact CD2-CG2 4.44Å; W26-I246 HydrophobicContact CE3-CD1 2.91Å; W26-I246 HydrophobicContact CE3-CG1 3.36Å; W26-I246 HydrophobicContact CG-CD1 3.87Å; W26-I246 HydrophobicContact CG-CG1 3.88Å; W26-I246 HydrophobicContact CG-CG2 4.18Å; W26-I246 HydrophobicContact CH2-CD1 4.17Å; W26-I246 HydrophobicContact CH2-CG1 3.89Å; W26-I246 HydrophobicContact CZ2-CG1 3.93Å; W26-I246 HydrophobicContact CZ3-CD1 3.38Å; W26-I246 HydrophobicContact CZ3-CG1 3.63Å; L212-I246 HydrophobicContact CD1-CB 4.07Å; L212-I246 HydrophobicContact CD1-CD1 4.38Å; L212-I246 WeakPolarHBondContact CD1-O 3.23Å; V238-I246 WeakPolarHBondContact O-CG2 3.34Å
247	I	90.7	Very high	89.7	Confident	2 Å²	2	39.8 Å²	39.8	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	138.5	161.6	-66.9	164.2	0	0	0	107.9	M190 C202 V203 G237 V238 L240 L243	M190-I247 HydrophobicContact CE-CD1 3.73Å; M190-I247 HydrophobicContact CE-CG1 4.15Å; M190-I247 HydrophobicContact SD-CD1 4Å; M190-I247 HydrophobicContact SD-CG1 3.75Å; C202-I247 HydrophobicContact CB-CG2 3.72Å; V203-I247 CarbonylContact O-C 3.59Å; V203-I247 WeakPolarHBondContact O-CA 3.47Å; G237-I247 CarbonylContact C-O 3.51Å; G237-I247 WeakPolarHBondContact CA-O 3.16Å; V238-I247 HydrophobicContact CB-CB 4.39Å; V238-I247 PolarHBondContact N-O 3.23Å; V238-I247 PolarHBondContact O-N 3.13Å; L240-I247 HydrophobicContact CD1-CD1 3.65Å; L240-I247 HydrophobicContact CG-CD1 4.29Å; L243-I247 HydrophobicContact CD1-CD1 3.25Å; L243-I247 HydrophobicContact CD1-CG1 3.82Å
248	V	93.4	Very high	90	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.018	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	129.1	167.7	-180	0	0	0	0	109.7	V203 L212 P213 V234 H236 Y250	V203-V248 HydrophobicContact CG2-CB 3.89Å; V203-V248 PolarHBondContact N-O 3.01Å; V203-V248 PolarHBondContact O-N 3.11Å; L212-V248 HydrophobicContact CB-CG2 4.32Å; L212-V248 HydrophobicContact CD2-CG2 4.13Å; P213-V248 HydrophobicContact CB-CG1 4.07Å; P213-V248 HydrophobicContact CB-CG2 4.35Å; P213-V248 HydrophobicContact CG-CB 4.34Å; P213-V248 HydrophobicContact CG-CG1 3.89Å; P213-V248 HydrophobicContact CG-CG2 4.34Å; V234-V248 HydrophobicContact CG1-CG1 4.17Å; H236-V248 WeakPolarHBondContact O-CA 3.41Å; V248-Y250 HydrophobicContact CB-CE2 4.24Å; V248-Y250 HydrophobicContact CG1-CD2 4.08Å; V248-Y250 HydrophobicContact CG1-CE2 3.73Å
249	E	95.5	Very high	90.5	Very high	6 Å²	6	45 Å²	45	3%	0.028	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	135.2	170.9	-69.5	-170.5	-167.9	0	0	110.9	S123 H194 P200 I201 S235 H236 V238	S123-E249 WeakPolarHBondContact CB-OE2 3.29Å; H194-E249 IonicContact CD2-OE1 3.02Å; H194-E249 IonicContact CE1-OE1 3.58Å; H194-E249 IonicContact NE2-OE1 2.77Å; H194-E249 PolarHBondContact NE2-OE1 3.29Å; P200-E249 HydrophobicContact CB-CB 4.07Å; P200-E249 HydrophobicContact CB-CG 4.29Å; P200-E249 HydrophobicContact CG-CB 4.43Å; P200-E249 HydrophobicContact CG-CG 4.13Å; P200-E249 VanDerWaalsContact CG-OE2 3.28Å; P200-E249 WeakPolarHBondContact CG-OE2 3.48Å; I201-E249 WeakPolarHBondContact O-CA 3.3Å; S235-E249 WeakPolarHBondContact CB-O 3.2Å; S235-E249 PolarHBondContact N-O 3.17Å; H236-E249 IonicContact CE1-OE1 3.51Å; H236-E249 IonicContact CE1-OE2 3.27Å; H236-E249 PolarHBondContact CE1-OE2 2.99Å; H236-E249 PolarHBondContact N-O 2.69Å; H236-E249 IonicContact ND1-OE2 3.18Å; H236-E249 PolarHBondContact O-N 2.85Å; V238-E249 HydrophobicContact CG2-CG 4.02Å
250	Y	97.3	Very high	91	Very high	1 Å²	1	41.5 Å²	41.5	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	131.5	171.5	-76.1	-108.3	0	0	0	109.5	I162 P200 I201 V203 P213 L222 V233 V234 V248 S252	I162-Y250 WeakPolarHBondContact CG2-OH 3.2Å; P200-Y250 CarbonylContact C-O 3.57Å; P200-Y250 WeakPolarHBondContact CA-O 3.26Å; P200-Y250 WeakPolarHBondContact CB-O 3.1Å; I201-Y250 PolarHBondContact N-O 2.81Å; I201-Y250 PolarHBondContact O-N 3.07Å; V203-Y250 HydrophobicContact CB-CE2 4.41Å; V203-Y250 HydrophobicContact CG1-CD2 4Å; V203-Y250 HydrophobicContact CG1-CE2 4.05Å; V203-Y250 HydrophobicContact CG2-CD2 3.96Å; V203-Y250 HydrophobicContact CG2-CE2 3.43Å; V203-Y250 VanDerWaalsContact CG2-CE2 3.43Å; P213-Y250 HydrophobicContact CG-CE2 4.09Å; P213-Y250 WeakPolarHBondContact CG-OH 3.25Å; L222-Y250 HydrophobicContact CB-CD1 3.59Å; L222-Y250 HydrophobicContact CB-CE1 3.58Å; L222-Y250 HydrophobicContact CB-CG 4.27Å; L222-Y250 HydrophobicContact CD1-CE1 4.05Å; L222-Y250 HydrophobicContact CD1-CE2 4.25Å; L222-Y250 HydrophobicContact CD2-CD1 4.44Å; L222-Y250 HydrophobicContact CD2-CG 4.3Å; L222-Y250 HydrophobicContact CG-CD1 4.42Å; L222-Y250 HydrophobicContact CG-CE1 4.33Å; V233-Y250 CarbonylContact O-C 3.57Å; V233-Y250 WeakPolarHBondContact O-CA 3.45Å; V234-Y250 HydrophobicContact CB-CE1 4.17Å; V234-Y250 HydrophobicContact CG2-CD1 4.16Å; V234-Y250 HydrophobicContact CG2-CE1 3.34Å; V234-Y250 HydrophobicContact CG2-CE2 4.33Å; V234-Y250 VanDerWaalsContact CG2-CZ 3.47Å; V234-Y250 WeakPolarHBondContact CG2-OH 3.21Å; V234-Y250 VanDerWaalsContact N-CD1 3.33Å; V248-Y250 HydrophobicContact CB-CE2 4.24Å; V248-Y250 HydrophobicContact CG1-CD2 4.08Å; V248-Y250 HydrophobicContact CG1-CE2 3.73Å; Y250-S252 PolarHBondContact O-N 2.89Å
251	A	97.9	Very high	91.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	121.8	168.7	0	0	0	0	0	108.2	S123 D126 I127 G232 V233 V253	S123-A251 VanDerWaalsContact O-CA 3.26Å; S123-A251 WeakPolarHBondContact O-CA 3.49Å; S123-A251 WeakPolarHBondContact O-CB 3.27Å; D126-A251 HydrophobicContact CB-CB 4.28Å; D126-A251 WeakPolarHBondContact O-CB 3.46Å; I127-A251 HydrophobicContact CD1-CB 4Å; I127-A251 HydrophobicContact CG1-CB 3.46Å; I127-A251 VanDerWaalsContact CG1-CB 3.46Å; G232-A251 CarbonylContact C-O 3.46Å; G232-A251 WeakPolarHBondContact CA-O 3.4Å; V233-A251 HydrophobicContact CG2-CB 3.87Å; V233-A251 PolarHBondContact N-O 3.33Å; V233-A251 PolarHBondContact O-N 2.88Å; A251-V253 PolarHBondContact O-N 2.78Å
252	S	97.8	Very high	92.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	116.5	-173.9	177.3	0	0	0	0	110.8	Y250 A254 R255 M256	Y250-S252 PolarHBondContact O-N 2.89Å; S252-A254 VanDerWaalsContact C-N 3.31Å; S252-A254 PolarHBondContact O-N 2.95Å; S252-R255 PolarHBondContact O-N 2.85Å; S252-R255 WeakPolarHBondContact OG-CG 3.39Å; S252-R255 PolarHBondContact OG-N 2.7Å; S252-M256 WeakPolarHBondContact O-CB 3.05Å; S252-M256 WeakPolarHBondContact O-CG 3.35Å; S252-M256 PolarHBondContact O-N 2.04Å
253	V	98.3	Very high	93	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-38.6	177.5	178.3	0	0	0	0	110.4	L64 I127 L147 P148 V230 L231 V233 A251 R255 M256 L257 V260	L64-V253 HydrophobicContact CD2-CG1 4.01Å; L64-V253 HydrophobicContact CD2-CG2 3.65Å; I127-V253 HydrophobicContact CD1-CG2 4.44Å; L147-V253 HydrophobicContact CD2-CG1 4.1Å; P148-V253 HydrophobicContact CG-CB 3.9Å; P148-V253 HydrophobicContact CG-CG1 3.84Å; V230-V253 HydrophobicContact CG1-CG2 4.01Å; V230-V253 VanDerWaalsContact O-CB 3.23Å; V230-V253 WeakPolarHBondContact O-CB 3.27Å; V230-V253 WeakPolarHBondContact O-CG2 3.03Å; L231-V253 PolarHBondContact O-N 2.93Å; V233-V253 HydrophobicContact CG1-CG2 4.33Å; A251-V253 PolarHBondContact O-N 2.78Å; V253-R255 VanDerWaalsContact C-N 3.31Å; V253-R255 PolarHBondContact O-N 3.34Å; V253-M256 CarbonylContact O-C 3.34Å; V253-M256 PolarHBondContact O-N 2.87Å; V253-M256 VanDerWaalsContact O-N 3.12Å; V253-L257 WeakPolarHBondContact O-CA 3.22Å; V253-L257 PolarHBondContact O-N 3.4Å; V253-V260 HydrophobicContact CG1-CG2 4.36Å
254	A	96.7	Very high	93.8	Very high	8 Å²	8	39.9 Å²	39.9	7%	0.066	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61	-37	177	0	0	0	0	0	112.7	P148 I153 S252 M256 L257	P148-A254 HydrophobicContact CB-CB 4.22Å; P148-A254 HydrophobicContact CG-CB 3.91Å; I153-A254 HydrophobicContact CD1-CB 3.86Å; I153-A254 HydrophobicContact CG1-CB 3.69Å; S252-A254 VanDerWaalsContact C-N 3.31Å; S252-A254 PolarHBondContact O-N 2.95Å; A254-M256 VanDerWaalsContact C-N 3.33Å; A254-L257 WeakPolarHBondContact O-CB 3.43Å
255	R	96.2	Very high	94.9	Very high	96 Å²	96	35 Å²	35	36%	0.362	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-77.9	-18.5	176.5	-64.9	175.8	-178.8	122.7	2.9	113.4	I153 N199 P200 S252 V253	I153-R255 HydrophobicContact CD1-CG 4.01Å; N199-R255 VanDerWaalsContact CG-CZ 3.46Å; N199-R255 PolarHBondContact ND2-NE 3.2Å; N199-R255 WeakPolarHBondContact O-CD 3.08Å; N199-R255 PolarHBondContact O-NH1 3.12Å; P200-R255 PolarHBondContact O-NH1 3.18Å; S252-R255 PolarHBondContact O-N 2.85Å; S252-R255 WeakPolarHBondContact OG-CG 3.39Å; S252-R255 PolarHBondContact OG-N 2.7Å; V253-R255 VanDerWaalsContact C-N 3.31Å; V253-R255 PolarHBondContact O-N 3.34Å
256	M	96.7	Very high	95.9	Very high	25 Å²	25	34.1 Å²	34.1	12%	0.123	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-110.3	18.9	-179.7	-63.6	-62.9	-71.5	0	0	112	A102 F125 I127 S252 V253 A254 D258 F259 V260	A102-M256 HydrophobicContact CB-CE 3.46Å; A102-M256 VanDerWaalsContact CB-CE 3.46Å; F125-M256 HydrophobicContact CD1-CE 4.18Å; F125-M256 HydrophobicContact CD1-SD 3.93Å; I127-M256 HydrophobicContact CD1-CB 3.48Å; I127-M256 VanDerWaalsContact CD1-CB 3.48Å; I127-M256 HydrophobicContact CD1-CG 3.59Å; I127-M256 HydrophobicContact CG1-CG 4.36Å; S252-M256 WeakPolarHBondContact O-CB 3.05Å; S252-M256 WeakPolarHBondContact O-CG 3.35Å; S252-M256 PolarHBondContact O-N 2.04Å; V253-M256 CarbonylContact O-C 3.34Å; V253-M256 PolarHBondContact O-N 2.87Å; V253-M256 VanDerWaalsContact O-N 3.12Å; A254-M256 VanDerWaalsContact C-N 3.33Å; M256-D258 VanDerWaalsContact C-N 3.29Å; M256-D258 PolarHBondContact O-N 2.81Å; M256-F259 WeakPolarHBondContact O-CB 3.46Å; M256-F259 PolarHBondContact O-N 3.42Å; M256-F259 VanDerWaalsContact O-N 3.14Å; M256-V260 PolarHBondContact O-N 3.27Å; M256-V260 VanDerWaalsContact O-N 3.07Å
257	L	96.4	Very high	96.4	Very high	9 Å²	9	35.7 Å²	35.7	5%	0.047	18%	0.178	C	C	.	.	H	α-helix	trans	-63.4	-34.5	-167.7	-169.6	59.1	0	0	0	112.7	L147 P148 V253 A254 V260 R261	L147-L257 HydrophobicContact CB-CD1 4.06Å; L147-L257 HydrophobicContact CD1-CD1 4.08Å; P148-L257 WeakPolarHBondContact O-CD2 3.11Å; V253-L257 WeakPolarHBondContact O-CA 3.22Å; V253-L257 PolarHBondContact O-N 3.4Å; A254-L257 WeakPolarHBondContact O-CB 3.43Å; L257-V260 PolarHBondContact O-N 3.03Å; L257-R261 HydrophobicContact CD1-CG 4.14Å; L257-R261 VanDerWaalsContact CD2-CZ 3.46Å; L257-R261 HydrophobicContact CG-CG 4.26Å; L257-R261 WeakPolarHBondContact O-CB 3.42Å; L257-R261 WeakPolarHBondContact O-CG 3.5Å; L257-R261 PolarHBondContact O-N 2.93Å
258	D	97	Very high	96.8	Very high	135 Å²	135	37.7 Å²	37.7	72%	0.722	19%	0.188	S	C	*	.	H	α-helix	trans	-63.6	-43.5	176.5	-67.8	-17.1	0	0	0	111.9	M256 S262	M256-D258 VanDerWaalsContact C-N 3.29Å; M256-D258 PolarHBondContact O-N 2.81Å; D258-S262 VanDerWaalsContact O-CB 3.3Å; D258-S262 WeakPolarHBondContact O-CB 3.46Å; D258-S262 PolarHBondContact O-N 2.96Å; D258-S262 VanDerWaalsContact O-N 3.1Å; D258-S262 PolarHBondContact O-OG 2.93Å
259	F	97.9	Very high	97	Very high	25 Å²	25	39.9 Å²	39.9	11%	0.11	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-45.5	174.1	166.7	-100.6	0	0	0	110.9	K100 V101 A102 I127 I129 M256 S262 N263	K100-F259 HydrophobicContact CB-CE2 4.46Å; K100-F259 HydrophobicContact CB-CZ 4.13Å; V101-F259 VanDerWaalsContact C-CZ 3.47Å; A102-F259 HydrophobicContact CB-CD1 4Å; A102-F259 HydrophobicContact CB-CD2 4.44Å; A102-F259 HydrophobicContact CB-CE1 4.01Å; A102-F259 HydrophobicContact CB-CE2 4.45Å; A102-F259 HydrophobicContact CB-CG 4.22Å; A102-F259 HydrophobicContact CB-CZ 4.24Å; A102-F259 VanDerWaalsContact N-CZ 3.3Å; I127-F259 HydrophobicContact CG2-CD1 4.15Å; I127-F259 HydrophobicContact CG2-CE1 3.93Å; I129-F259 HydrophobicContact CD1-CE1 4.24Å; M256-F259 WeakPolarHBondContact O-CB 3.46Å; M256-F259 PolarHBondContact O-N 3.42Å; M256-F259 VanDerWaalsContact O-N 3.14Å; F259-S262 PolarHBondContact O-OG 2.94Å; F259-N263 PolarHBondContact O-ND2 3.47Å
260	V	98.1	Very high	97.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.6	-52.7	-178.4	178.3	0	0	0	0	110.5	L64 I127 L147 V253 M256 L257 S262 N263 I264	L64-V260 HydrophobicContact CD1-CG1 4.33Å; L64-V260 HydrophobicContact CD1-CG2 3.92Å; I127-V260 HydrophobicContact CG2-CG2 4.25Å; L147-V260 HydrophobicContact CD1-CG1 3.78Å; L147-V260 HydrophobicContact CD2-CG1 3.76Å; L147-V260 HydrophobicContact CG-CG1 4.45Å; V253-V260 HydrophobicContact CG1-CG2 4.36Å; M256-V260 PolarHBondContact O-N 3.27Å; M256-V260 VanDerWaalsContact O-N 3.07Å; L257-V260 PolarHBondContact O-N 3.03Å; V260-S262 VanDerWaalsContact C-N 3.29Å; V260-S262 PolarHBondContact O-N 2.81Å; V260-N263 PolarHBondContact O-N 3.01Å; V260-N263 VanDerWaalsContact O-N 3.12Å; V260-I264 HydrophobicContact CG1-CG2 4.26Å; V260-I264 WeakPolarHBondContact O-CG2 2.87Å
261	R	97.3	Very high	97.1	Very high	120 Å²	120	45.1 Å²	45.1	45%	0.453	23%	0.225	S	C	.	.	H	α-helix	trans	-61.6	-33	-178.1	-73.4	-179.8	174.8	165.6	0.5	113.5	L147 L257 N263	L147-R261 HydrophobicContact CD1-CG 4.1Å; L257-R261 HydrophobicContact CD1-CG 4.14Å; L257-R261 VanDerWaalsContact CD2-CZ 3.46Å; L257-R261 HydrophobicContact CG-CG 4.26Å; L257-R261 WeakPolarHBondContact O-CB 3.42Å; L257-R261 WeakPolarHBondContact O-CG 3.5Å; L257-R261 PolarHBondContact O-N 2.93Å; R261-N263 PolarHBondContact O-N 3.26Å
262	S	97.5	Very high	97	Very high	88 Å²	88	48.5 Å²	48.5	62%	0.615	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-6.7	179.1	56	0	0	0	0	114.6	D258 F259 V260	D258-S262 VanDerWaalsContact O-CB 3.3Å; D258-S262 WeakPolarHBondContact O-CB 3.46Å; D258-S262 PolarHBondContact O-N 2.96Å; D258-S262 VanDerWaalsContact O-N 3.1Å; D258-S262 PolarHBondContact O-OG 2.93Å; F259-S262 PolarHBondContact O-OG 2.94Å; V260-S262 VanDerWaalsContact C-N 3.29Å; V260-S262 PolarHBondContact O-N 2.81Å
263	N	97.2	Very high	97	Very high	42 Å²	42	52.6 Å²	52.6	23%	0.225	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	10.4	-172	-75.3	-85	0	0	0	114.6	K100 I129 F259 V260 R261	K100-N263 HydrophobicContact CB-CB 4.32Å; K100-N263 WeakPolarHBondContact CD-OD1 3.21Å; K100-N263 HydrophobicContact CG-CB 4.2Å; K100-N263 WeakPolarHBondContact CG-OD1 3.02Å; I129-N263 HydrophobicContact CD1-CB 3.49Å; I129-N263 VanDerWaalsContact CD1-CB 3.49Å; F259-N263 PolarHBondContact O-ND2 3.47Å; V260-N263 PolarHBondContact O-N 3.01Å; V260-N263 VanDerWaalsContact O-N 3.12Å; R261-N263 PolarHBondContact O-N 3.26Å
264	I	94.1	Very high	96.8	Very high	83 Å²	83	57.4 Å²	57.4	43%	0.426	29%	0.286	S	S	.	.			trans	-112.8	0	-177.7	62.3	170.3	0	0	0	115.4	V58 S59 A62 I129 L147 V260	V58-I264 HydrophobicContact CG2-CG2 3.87Å; S59-I264 WeakPolarHBondContact CB-OXT 3.39Å; S59-I264 PolarHBondContact OG-OXT 2.91Å; A62-I264 HydrophobicContact CB-CB 3.87Å; A62-I264 HydrophobicContact CB-CG2 3.57Å; I129-I264 HydrophobicContact CD1-CG2 3.77Å; L147-I264 HydrophobicContact CD1-CD1 3.87Å; V260-I264 HydrophobicContact CG1-CG2 4.26Å; V260-I264 WeakPolarHBondContact O-CG2 2.87Å

Retrieved 264 of 264 residues in 177.6 ms (Link to these results)

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