A0A077ZMW0_TRITR Loading...

Kunitz BPTI domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZMW0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.3	Very low	50.7	Low	237 Å²	237	154.9 Å²	154.9	100%	1.167	85%	0.847	S	S	*	*				0	83.9	0	-68.1	156.3	71.7	0	0	106.5
2	K	35.7	Very low	51.5	Low	206 Å²	206	149.9 Å²	149.9	90%	0.896	84%	0.842	S	S	*	*				47.6	101.6	102.7	-68.8	-166.8	-178.8	-174.9	0	113.7
3	S	43.9	Very low	52.2	Low	127 Å²	127	145.8 Å²	145.8	89%	0.888	84%	0.838	S	S	*	*			trans	-151.9	95.8	145.3	-82.7	0	0	0	0	107.5
4	I	48.3	Very low	52.7	Low	157 Å²	157	148.6 Å²	148.6	81%	0.805	84%	0.84	S	S	*	*			trans	-88.6	114.3	167	-68.4	171.4	0	0	0	104.8
5	A	52.2	Low	53.1	Low	91 Å²	91	150.5 Å²	150.5	75%	0.752	84%	0.836	S	S	*	*			trans	-78.6	114.8	171.5	0	0	0	0	0	108.4	I7	A5-I7 PolarHBondContact O-N 3.17Å
6	I	55.3	Low	53.3	Low	142 Å²	142	148.7 Å²	148.7	73%	0.728	83%	0.83	S	S	*	*			trans	-84.2	109.1	172.3	-63.3	172.7	0	0	0	106.6	L8	I6-L8 HydrophobicContact CG2-CG 4.46Å; I6-L8 PolarHBondContact O-N 2.58Å
7	I	58.9	Low	53.6	Low	143 Å²	143	148.6 Å²	148.6	73%	0.733	83%	0.827	S	S	*	*			trans	-81	106.4	171.7	-62	172.9	0	0	0	106.6	A5 L9	A5-I7 PolarHBondContact O-N 3.17Å; I7-L9 PolarHBondContact O-N 2.98Å
8	L	52.8	Low	53.8	Low	152 Å²	152	150.4 Å²	150.4	80%	0.796	83%	0.828	S	S	*	*			trans	-79.1	107.2	169.6	-75.6	166.2	0	0	0	108.3	I6 L10	I6-L8 HydrophobicContact CG2-CG 4.46Å; I6-L8 PolarHBondContact O-N 2.58Å; L8-L10 PolarHBondContact O-N 3.03Å
9	L	55.5	Low	54.2	Low	164 Å²	164	152 Å²	152	86%	0.859	83%	0.829	S	S	*	*			trans	-75.8	108.7	167.3	-69.3	167	0	0	0	107.9	I7	I7-L9 PolarHBondContact O-N 2.98Å
10	L	54.6	Low	55.2	Low	170 Å²	170	151.8 Å²	151.8	89%	0.89	82%	0.822	S	S	*	*			trans	-82	115	164.5	-72.6	162.5	0	0	0	107.1	L8	L8-L10 PolarHBondContact O-N 3.03Å
11	S	58.9	Low	56.6	Low	115 Å²	115	148.5 Å²	148.5	80%	0.804	80%	0.804	S	S	*	*			trans	-71	124.9	169	52.4	0	0	0	0	108.9	A13	S11-A13 PolarHBondContact O-N 3.28Å
12	A	59.7	Low	58.9	Low	95 Å²	95	139.3 Å²	139.3	79%	0.785	76%	0.762	S	S	*	*			trans	-62.6	115.5	167.5	0	0	0	0	0	108.2
13	A	60.8	Low	61.6	Low	96 Å²	96	130 Å²	130	79%	0.793	72%	0.723	S	S	*	*			trans	-78	114.3	160.1	0	0	0	0	0	106.3	S11 F15	S11-A13 PolarHBondContact O-N 3.28Å; A13-F15 PolarHBondContact O-N 2.81Å; A13-F15 VanDerWaalsContact O-N 3.14Å
14	E	59.4	Low	63.8	Low	186 Å²	186	128.7 Å²	128.7	87%	0.869	70%	0.701	S	S	*	*			trans	-68.5	104.1	169.7	-68.2	174.7	167.7	0	0	107.1	T16	E14-T16 PolarHBondContact O-N 2.75Å
15	F	58	Low	65.9	Low	177 Å²	177	122.8 Å²	122.8	78%	0.776	67%	0.671	S	S	*	*			trans	-81.9	102.9	171.5	-167.5	-93.9	0	0	0	106.9	A13 L17	A13-F15 PolarHBondContact O-N 2.81Å; A13-F15 VanDerWaalsContact O-N 3.14Å; F15-L17 HydrophobicContact CD1-CD2 4.33Å; F15-L17 HydrophobicContact CD1-CG 4.32Å; F15-L17 HydrophobicContact CE1-CD2 4.07Å; F15-L17 PolarHBondContact O-N 2.94Å; F15-L17 VanDerWaalsContact O-N 3.16Å
16	T	57.1	Low	68	Low	121 Å²	121	122.9 Å²	122.9	74%	0.742	66%	0.664	S	S	*	*			trans	-66.2	109.6	165.5	47.4	0	0	0	0	107.2	E14 Q18	E14-T16 PolarHBondContact O-N 2.75Å; T16-Q18 VanDerWaalsContact C-N 3.33Å; T16-Q18 PolarHBondContact O-N 3.42Å
17	L	58.8	Low	70	Confident	147 Å²	147	117.7 Å²	117.7	77%	0.77	64%	0.642	S	S	*	*			trans	-63.6	101.6	162.7	-80.3	163.5	0	0	0	106	F15 E19	F15-L17 HydrophobicContact CD1-CD2 4.33Å; F15-L17 HydrophobicContact CD1-CG 4.32Å; F15-L17 HydrophobicContact CE1-CD2 4.07Å; F15-L17 PolarHBondContact O-N 2.94Å; F15-L17 VanDerWaalsContact O-N 3.16Å; L17-E19 PolarHBondContact O-N 2.85Å; L17-E19 VanDerWaalsContact O-N 3.08Å
18	Q	56	Low	71.8	Confident	182 Å²	182	113.8 Å²	113.8	85%	0.85	62%	0.623	S	S	*	*			trans	-66	105	166.4	-171.6	171.7	-11.4	0	0	105.4	T16 E20	T16-Q18 VanDerWaalsContact C-N 3.33Å; T16-Q18 PolarHBondContact O-N 3.42Å; Q18-E20 PolarHBondContact O-N 2.87Å
19	E	62	Low	74	Confident	180 Å²	180	109.7 Å²	109.7	84%	0.841	61%	0.605	S	S	*	*			trans	-55.4	123.8	174.2	-72.7	-175.3	164.2	0	0	107.5	L17 N21	L17-E19 PolarHBondContact O-N 2.85Å; L17-E19 VanDerWaalsContact O-N 3.08Å; E19-N21 PolarHBondContact O-N 2.01Å
20	E	73.6	Confident	76	Confident	148 Å²	148	103 Å²	103	69%	0.692	58%	0.575	S	S	*	*			trans	-60.3	131.6	179.3	-68.7	-172.1	163.8	0	0	108.2	Q18 P22	Q18-E20 PolarHBondContact O-N 2.87Å; E20-P22 WeakPolarHBondContact O-CD 3.45Å
21	N	84.6	Confident	78	Confident	82 Å²	82	98.7 Å²	98.7	44%	0.439	56%	0.558	S	S	.	*			trans	-54.8	115	178.8	179.6	-24.2	0	0	0	109.3	E19 C23 K24	E19-N21 PolarHBondContact O-N 2.01Å; N21-C23 PolarHBondContact O-N 2.96Å; N21-C23 VanDerWaalsContact O-N 3.09Å; N21-C23 WeakPolarHBondContact OD1-CB 3.49Å; N21-C23 PolarHBondContact OD1-N 3.03Å; N21-C23 PolarHBondContact OD1-SG 3.14Å; N21-K24 PolarHBondContact O-N 3.15Å
22	P	91	Very high	79.9	Confident	45 Å²	45	95.9 Å²	95.9	29%	0.292	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-54.4	-34.5	-176.6	-29	36.7	0	0	0	112.8	E20 K24 L25 D60 N61	E20-P22 WeakPolarHBondContact O-CD 3.45Å; P22-K24 PolarHBondContact O-N 2.81Å; P22-L25 WeakPolarHBondContact O-CB 3.23Å; P22-L25 PolarHBondContact O-N 2.81Å; P22-D60 HydrophobicContact CB-CB 3.83Å; P22-D60 HydrophobicContact CG-CB 3.85Å; P22-N61 WeakPolarHBondContact O-CB 3.4Å
23	C	92	Very high	81.7	Confident	10 Å²	10	103 Å²	103	7%	0.068	54%	0.544	C	S	.	.	G	3₁₀ helix	trans	-63.3	-17.5	-178.6	-46.2	0	0	0	0	113.6	N21 Y41 C73	N21-C23 PolarHBondContact O-N 2.96Å; N21-C23 VanDerWaalsContact O-N 3.09Å; N21-C23 WeakPolarHBondContact OD1-CB 3.49Å; N21-C23 PolarHBondContact OD1-N 3.03Å; N21-C23 PolarHBondContact OD1-SG 3.14Å; C23-Y41 HydrophobicContact CB-CD1 3.8Å; C23-Y41 HydrophobicContact CB-CE1 4.4Å; C23-Y41 HydrophobicContact CB-CG 4.22Å; C23-Y41 WeakPolarHBondContact O-CD1 2.91Å; C23-C73 VanDerWaalsContact CA-SG 3.54Å; C23-C73 HydrophobicContact CB-CB 3.81Å; C23-C73 WeakPolarHBondContact CB-SG 3.5Å; C23-C73 WeakPolarHBondContact SG-CA 3.02Å; C23-C73 WeakPolarHBondContact SG-CB 3.49Å; C23-C73 CovalentContact SG-SG 2.03Å; C23-C73 PolarHBondContact SG-SG 3.01Å
24	K	90.2	Very high	83.4	Confident	100 Å²	100	99.8 Å²	99.8	44%	0.435	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-92.5	-7.4	176.5	-68	-172.8	171	-173	0	113.4	N21 P22 W43 E78	N21-K24 PolarHBondContact O-N 3.15Å; P22-K24 PolarHBondContact O-N 2.81Å; K24-W43 HydrophobicContact CD-CH2 4.27Å; K24-W43 HydrophobicContact CD-CZ3 4.32Å; K24-W43 HydrophobicContact CG-CD2 4.33Å; K24-W43 HydrophobicContact CG-CE3 3.75Å; K24-W43 HydrophobicContact CG-CH2 3.98Å; K24-W43 HydrophobicContact CG-CZ3 3.55Å; K24-E78 VanDerWaalsContact CE-OE1 3.25Å; K24-E78 WeakPolarHBondContact CE-OE1 3.12Å; K24-E78 IonicContact NZ-OE1 2.67Å; K24-E78 PolarHBondContact NZ-OE1 3.39Å
25	L	93.5	Very high	85.2	Confident	32 Å²	32	99.8 Å²	99.8	17%	0.168	52%	0.518	C	S	.	.	S	Bend	trans	-80.9	148.3	179.1	-55.7	173.1	0	0	0	110.2	P22 N59 D60 N61	P22-L25 WeakPolarHBondContact O-CB 3.23Å; P22-L25 PolarHBondContact O-N 2.81Å; L25-N59 HydrophobicContact CB-CB 4.48Å; L25-N59 HydrophobicContact CD1-CB 3.92Å; L25-D60 HydrophobicContact CD1-CB 4.34Å; L25-N61 HydrophobicContact CB-CB 4.03Å; L25-N61 PolarHBondContact O-ND2 3.46Å
26	P	95.3	Very high	87	Confident	93 Å²	93	95.8 Å²	95.8	60%	0.604	50%	0.501	S	S	*	.	P	Polyproline II helix	trans	-72.7	159.6	175.8	31.3	-35.7	0	0	0	111.3	D28 N59	P26-D28 PolarHBondContact O-N 2.86Å; P26-N59 PolarHBondContact O-ND2 2.8Å; P26-N59 PolarHBondContact O-OD1 3.35Å
27	A	97.1	Very high	89	Confident	34 Å²	34	92.9 Å²	92.9	28%	0.281	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-58.6	125	165.8	0	0	0	0	0	110.6	Y40 F51	A27-Y40 HydrophobicContact CB-CD1 3.78Å; A27-Y40 HydrophobicContact CB-CD2 3.67Å; A27-Y40 HydrophobicContact CB-CE1 3.97Å; A27-Y40 HydrophobicContact CB-CE2 3.87Å; A27-Y40 HydrophobicContact CB-CG 3.63Å; A27-F51 HydrophobicContact CB-CB 4.33Å; A27-F51 HydrophobicContact CB-CD2 3.95Å; A27-F51 HydrophobicContact CB-CE2 4.41Å; A27-F51 HydrophobicContact CB-CG 4.07Å
28	D	97.9	Very high	90.9	Very high	60 Å²	60	87.1 Å²	87.1	32%	0.321	46%	0.455	S	S	.	.			trans	-120.7	102.9	180	-171.9	-2	0	0	0	111.9	P26 G30 G58 N59	P26-D28 PolarHBondContact O-N 2.86Å; D28-G30 PolarHBondContact O-N 2.81Å; D28-G30 PolarHBondContact OD1-N 2.58Å; D28-G58 WeakPolarHBondContact OD2-CA 3.23Å; D28-N59 WeakPolarHBondContact CB-ND2 3.27Å
29	P	97.9	Very high	92.8	Very high	66 Å²	66	81.1 Å²	81.1	43%	0.429	43%	0.425	S	S	.	.			trans	-62.5	-20.2	175.1	-25.3	36	0	0	0	114.7	T52 G54	P29-T52 WeakPolarHBondContact CB-O 3.33Å; P29-G54 WeakPolarHBondContact O-CA 3.24Å; P29-G54 PolarHBondContact O-N 3Å
30	G	97.3	Very high	94.5	Very high	23 Å²	23	74.8 Å²	74.8	24%	0.237	39%	0.393	C	S	.	.			trans	67.4	-179.9	-172.8	0	0	0	0	0	114.3	D28	D28-G30 PolarHBondContact O-N 2.81Å; D28-G30 PolarHBondContact OD1-N 2.58Å
31	P	97.8	Very high	95.6	Very high	80 Å²	80	68 Å²	68	52%	0.519	36%	0.361	S	S	.	.	S	Bend	trans	-85.2	-12.4	-175	33.9	-35.5	0	0	0	113.9	E57	P31-E57 WeakPolarHBondContact CD-OE2 3.37Å; P31-E57 HydrophobicContact CG-CB 4.37Å; P31-E57 VanDerWaalsContact CG-CD 3.43Å; P31-E57 HydrophobicContact CG-CG 4Å; P31-E57 WeakPolarHBondContact CG-OE2 3.33Å
32	C	98.1	Very high	96	Very high	56 Å²	56	65.9 Å²	65.9	38%	0.378	35%	0.35	S	S	.	.			trans	-73.6	162.1	179.3	-77.8	0	0	0	0	112.5	G54 C56	C32-G54 CarbonylContact C-O 3.57Å; C32-G54 WeakPolarHBondContact CB-O 3.01Å; C32-G54 WeakPolarHBondContact O-CA 3.31Å; C32-C56 HydrophobicContact CB-CB 3.86Å; C32-C56 WeakPolarHBondContact CB-SG 3Å; C32-C56 WeakPolarHBondContact SG-CB 3.27Å; C32-C56 CovalentContact SG-SG 2.01Å; C32-C56 PolarHBondContact SG-SG 3.06Å
33	R	97.2	Very high	95.8	Very high	245 Å²	245	67.8 Å²	67.8	93%	0.925	35%	0.352	S	S	*	.			trans	-110.9	18.3	-173.3	-60.9	-178.2	-179.4	167.6	0.2	113.6
34	G	96.1	Very high	95.5	Very high	28 Å²	28	74.5 Å²	74.5	29%	0.289	39%	0.387	S	S	.	.			trans	-63.3	168.3	169	0	0	0	0	0	111.4	G54	G34-G54 WeakPolarHBondContact CA-O 3.28Å; G34-G54 PolarHBondContact N-O 3.46Å
35	K	97.1	Very high	95.4	Very high	187 Å²	187	72 Å²	72	81%	0.813	38%	0.382	S	S	*	.			trans	-132.8	71.5	176.4	-68.5	-171.3	176.4	-171	0	108.5	T52	K35-T52 HydrophobicContact CB-CG2 4.29Å; K35-T52 HydrophobicContact CG-CG2 4.34Å
36	H	97.4	Very high	95.2	Very high	93 Å²	93	75.7 Å²	75.7	43%	0.431	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	128.4	177.4	-57.6	-87	0	0	0	108.2	Q38 T52 Y53	H36-Q38 HydrophobicContact CB-CG 4.41Å; H36-Q38 PolarHBondContact O-N 2.77Å; H36-T52 CarbonylContact O-C 3.44Å; H36-T52 WeakPolarHBondContact O-CA 3.18Å; H36-Y53 HydrophobicContact CB-CD1 4.32Å; H36-Y53 WeakPolarHBondContact CB-O 3.44Å; H36-Y53 PolarHBondContact CD2-O 3.24Å; H36-Y53 PolarHBondContact N-O 3.48Å; H36-Y53 PolarHBondContact O-N 2.78Å
37	S	97.8	Very high	95	Very high	60 Å²	60	77.3 Å²	77.3	42%	0.42	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	108.6	173.6	175.5	0	0	0	0	107.5	E50	S37-E50 WeakPolarHBondContact OG-CG 3.24Å; S37-E50 PolarHBondContact OG-OE1 2.89Å
38	Q	98.1	Very high	94.9	Very high	26 Å²	26	76.8 Å²	76.8	12%	0.121	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	168.3	178.2	-63.9	-66.3	114.3	0	0	109.2	H36 E50 F51 Y53 N62 F63 D64	H36-Q38 HydrophobicContact CB-CG 4.41Å; H36-Q38 PolarHBondContact O-N 2.77Å; Q38-E50 CarbonylContact O-C 3.49Å; Q38-E50 WeakPolarHBondContact O-CA 3.43Å; Q38-F51 HydrophobicContact CB-CD1 4.02Å; Q38-F51 HydrophobicContact CB-CE1 3.47Å; Q38-F51 VanDerWaalsContact CB-CE1 3.47Å; Q38-F51 HydrophobicContact CB-CZ 4.02Å; Q38-F51 PolarHBondContact N-O 2.01Å; Q38-F51 WeakPolarHBondContact O-CD1 3.13Å; Q38-F51 PolarHBondContact O-N 3.46Å; Q38-Y53 HydrophobicContact CG-CD1 4.14Å; Q38-Y53 HydrophobicContact CG-CG 4.23Å; Q38-N62 VanDerWaalsContact CB-OD1 3.25Å; Q38-N62 WeakPolarHBondContact CB-OD1 3.18Å; Q38-N62 WeakPolarHBondContact CG-OD1 3.43Å; Q38-N62 PolarHBondContact NE2-OD1 3.36Å; Q38-F63 PolarHBondContact NE2-O 3.41Å; Q38-D64 PolarHBondContact NE2-OD1 2.73Å; Q38-D64 PolarHBondContact OE1-OD1 3.01Å
39	Y	97.9	Very high	94.9	Very high	56 Å²	56	75.3 Å²	75.3	22%	0.22	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	144.5	175.8	-62.9	-93.3	0	0	0	110	A49 E50 N62 F63 I66	Y39-A49 CarbonylContact C-O 3.58Å; Y39-A49 WeakPolarHBondContact CA-O 2.96Å; Y39-E50 HydrophobicContact CD1-CB 4.38Å; Y39-E50 HydrophobicContact CE1-CB 4.16Å; Y39-N62 CarbonylContact O-C 3.26Å; Y39-N62 WeakPolarHBondContact O-CA 3.32Å; Y39-F63 PolarHBondContact N-O 2.78Å; Y39-F63 WeakPolarHBondContact O-CD2 3.44Å; Y39-F63 PolarHBondContact O-N 2.93Å; Y39-I66 HydrophobicContact CD1-CB 3.85Å; Y39-I66 HydrophobicContact CD1-CG1 4.24Å; Y39-I66 HydrophobicContact CE1-CB 3.76Å; Y39-I66 HydrophobicContact CE1-CD1 4.49Å; Y39-I66 HydrophobicContact CE1-CG1 4.35Å; Y39-I66 HydrophobicContact CG-CB 4.31Å
40	Y	97	Very high	94.9	Very high	46 Å²	46	78 Å²	78	18%	0.18	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.6	169.6	79.7	-74.2	0	0	0	108.1	A27 D42 C48 A49 F51 N61 C69	A27-Y40 HydrophobicContact CB-CD1 3.78Å; A27-Y40 HydrophobicContact CB-CD2 3.67Å; A27-Y40 HydrophobicContact CB-CE1 3.97Å; A27-Y40 HydrophobicContact CB-CE2 3.87Å; A27-Y40 HydrophobicContact CB-CG 3.63Å; Y40-D42 HydrophobicContact CE2-CB 3.68Å; Y40-D42 PolarHBondContact O-N 2.67Å; Y40-C48 CarbonylContact O-C 3.53Å; Y40-C48 WeakPolarHBondContact O-CA 3.31Å; Y40-A49 HydrophobicContact CD1-CB 4.28Å; Y40-A49 WeakPolarHBondContact CD1-O 3.35Å; Y40-A49 HydrophobicContact CE1-CB 3.68Å; Y40-A49 PolarHBondContact N-O 3.14Å; Y40-A49 PolarHBondContact O-N 2.83Å; Y40-F51 HydrophobicContact CD1-CB 3.85Å; Y40-F51 AromaticContact CD1-CD1 3.72Å; Y40-F51 HydrophobicContact CD1-CD1 3.72Å; Y40-F51 AromaticContact CD1-CG 3.99Å; Y40-F51 HydrophobicContact CD1-CG 3.99Å; Y40-F51 HydrophobicContact CE1-CB 4.07Å; Y40-F51 HydrophobicContact CG-CD1 4.23Å; Y40-N61 WeakPolarHBondContact CA-OD1 3.46Å; Y40-N61 WeakPolarHBondContact CB-O 3.12Å; Y40-C69 VanDerWaalsContact C-SG 3.58Å
41	Y	95.6	Very high	94.9	Very high	5 Å²	5	77.9 Å²	77.9	2%	0.02	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.9	170.5	-174.7	-96.2	0	0	0	109.8	C23 W43 Q46 N61 C73 G75 G76	C23-Y41 HydrophobicContact CB-CD1 3.8Å; C23-Y41 HydrophobicContact CB-CE1 4.4Å; C23-Y41 HydrophobicContact CB-CG 4.22Å; C23-Y41 WeakPolarHBondContact O-CD1 2.91Å; Y41-W43 HydrophobicContact CD1-CE3 4.33Å; Y41-W43 AromaticContact CE1-CE3 3.85Å; Y41-W43 HydrophobicContact CE1-CE3 3.85Å; Y41-W43 HydrophobicContact CE1-CZ3 4.35Å; Y41-W43 PolarHBondContact O-N 2.9Å; Y41-Q46 WeakPolarHBondContact OH-CA 3.08Å; Y41-Q46 WeakPolarHBondContact OH-CB 3.3Å; Y41-N61 PolarHBondContact N-OD1 2.68Å; Y41-N61 PolarHBondContact O-ND2 2.76Å; Y41-C73 VanDerWaalsContact CB-SG 3.56Å; Y41-C73 HydrophobicContact CD1-CB 4.19Å; Y41-C73 HydrophobicContact CD2-CB 3.31Å; Y41-C73 HydrophobicContact CE2-CB 3.99Å; Y41-C73 WeakPolarHBondContact CE2-O 3.49Å; Y41-C73 HydrophobicContact CG-CB 3.42Å; Y41-C73 VanDerWaalsContact CG-CB 3.42Å; Y41-G75 WeakPolarHBondContact OH-CA 3.07Å; Y41-G76 WeakPolarHBondContact OH-CA 3.25Å; Y41-G76 PolarHBondContact OH-N 3.43Å
42	D	93.9	Very high	94.9	Very high	38 Å²	38	78.1 Å²	78.1	20%	0.203	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	106.5	173.9	179	10.2	0	0	0	109.7	Y40 D44 S45 Q46 Q47 A49	Y40-D42 HydrophobicContact CE2-CB 3.68Å; Y40-D42 PolarHBondContact O-N 2.67Å; D42-D44 VanDerWaalsContact C-N 3.28Å; D42-D44 PolarHBondContact O-N 2.99Å; D42-D44 PolarHBondContact OD1-N 2.91Å; D42-S45 WeakPolarHBondContact CB-OG 3.4Å; D42-S45 PolarHBondContact O-N 2.86Å; D42-S45 WeakPolarHBondContact OD2-CB 3.4Å; D42-S45 PolarHBondContact OD2-OG 2.8Å; D42-Q46 WeakPolarHBondContact O-CA 3.35Å; D42-Q46 PolarHBondContact O-N 3.49Å; D42-Q47 WeakPolarHBondContact CB-O 3.48Å; D42-Q47 PolarHBondContact N-O 3.33Å; D42-Q47 PolarHBondContact O-N 2.97Å; D42-A49 HydrophobicContact CB-CB 4.49Å
43	W	86.4	Confident	94.9	Very high	86 Å²	86	77.4 Å²	77.4	33%	0.326	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-38.5	-178.8	-171.9	-94.1	0	0	0	113.2	K24 Y41 E78	K24-W43 HydrophobicContact CD-CH2 4.27Å; K24-W43 HydrophobicContact CD-CZ3 4.32Å; K24-W43 HydrophobicContact CG-CD2 4.33Å; K24-W43 HydrophobicContact CG-CE3 3.75Å; K24-W43 HydrophobicContact CG-CH2 3.98Å; K24-W43 HydrophobicContact CG-CZ3 3.55Å; Y41-W43 HydrophobicContact CD1-CE3 4.33Å; Y41-W43 AromaticContact CE1-CE3 3.85Å; Y41-W43 HydrophobicContact CE1-CE3 3.85Å; Y41-W43 HydrophobicContact CE1-CZ3 4.35Å; Y41-W43 PolarHBondContact O-N 2.9Å; W43-E78 HydrophobicContact CH2-CG 3.4Å; W43-E78 VanDerWaalsContact CH2-CG 3.4Å; W43-E78 VanDerWaalsContact CZ2-CD 3.43Å; W43-E78 HydrophobicContact CZ2-CG 3.58Å; W43-E78 WeakPolarHBondContact CZ2-OE1 3.24Å
44	D	85.1	Confident	95	Very high	151 Å²	151	66 Å²	66	81%	0.807	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-36.1	-175.1	-71.7	-36.5	0	0	0	111.8	D42	D42-D44 VanDerWaalsContact C-N 3.28Å; D42-D44 PolarHBondContact O-N 2.99Å; D42-D44 PolarHBondContact OD1-N 2.91Å
45	S	89.3	Confident	95	Very high	48 Å²	48	66.4 Å²	66.4	34%	0.336	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-4.7	179	67.6	0	0	0	0	114.1	D42 Q47	D42-S45 WeakPolarHBondContact CB-OG 3.4Å; D42-S45 PolarHBondContact O-N 2.86Å; D42-S45 WeakPolarHBondContact OD2-CB 3.4Å; D42-S45 PolarHBondContact OD2-OG 2.8Å; S45-Q47 PolarHBondContact O-N 3.03Å; S45-Q47 PolarHBondContact O-NE2 3.5Å
46	Q	88.2	Confident	95	Very high	109 Å²	109	59.2 Å²	59.2	51%	0.509	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	37.8	-174.4	-59.9	-170.3	-0.5	0	0	113.9	Y41 D42	Y41-Q46 WeakPolarHBondContact OH-CA 3.08Å; Y41-Q46 WeakPolarHBondContact OH-CB 3.3Å; D42-Q46 WeakPolarHBondContact O-CA 3.35Å; D42-Q46 PolarHBondContact O-N 3.49Å
47	Q	91.9	Very high	94.9	Very high	127 Å²	127	62 Å²	62	59%	0.593	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.9	148.5	-173.1	-79	165.5	80.2	0	0	110.9	D42 S45 A49	D42-Q47 WeakPolarHBondContact CB-O 3.48Å; D42-Q47 PolarHBondContact N-O 3.33Å; D42-Q47 PolarHBondContact O-N 2.97Å; S45-Q47 PolarHBondContact O-N 3.03Å; S45-Q47 PolarHBondContact O-NE2 3.5Å; Q47-A49 PolarHBondContact O-N 3.2Å
48	C	95.7	Very high	94.7	Very high	22 Å²	22	60.5 Å²	60.5	15%	0.149	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.3	167.6	-72.1	0	0	0	0	110.4	Y40 I66 C69 E70	Y40-C48 CarbonylContact O-C 3.53Å; Y40-C48 WeakPolarHBondContact O-CA 3.31Å; C48-I66 HydrophobicContact CB-CG1 4.02Å; C48-C69 HydrophobicContact CB-CB 3.76Å; C48-C69 WeakPolarHBondContact CB-SG 3.08Å; C48-C69 WeakPolarHBondContact SG-CB 3.15Å; C48-C69 CovalentContact SG-SG 2.03Å; C48-C69 PolarHBondContact SG-SG 2.82Å; C48-E70 HydrophobicContact CB-CG 4.26Å; C48-E70 PolarHBondContact SG-N 3.3Å; C48-E70 VanDerWaalsContact SG-N 3.37Å
49	A	96.5	Very high	94.6	Very high	30 Å²	30	61 Å²	61	25%	0.248	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	148.2	-179.5	0	0	0	0	0	110.8	Y39 Y40 D42 Q47	Y39-A49 CarbonylContact C-O 3.58Å; Y39-A49 WeakPolarHBondContact CA-O 2.96Å; Y40-A49 HydrophobicContact CD1-CB 4.28Å; Y40-A49 WeakPolarHBondContact CD1-O 3.35Å; Y40-A49 HydrophobicContact CE1-CB 3.68Å; Y40-A49 PolarHBondContact N-O 3.14Å; Y40-A49 PolarHBondContact O-N 2.83Å; D42-A49 HydrophobicContact CB-CB 4.49Å; Q47-A49 PolarHBondContact O-N 3.2Å
50	E	98	Very high	94.5	Very high	123 Å²	123	63.7 Å²	63.7	58%	0.575	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	140	175.6	-170.2	-170.7	144.5	0	0	110.5	S37 Q38 Y39	S37-E50 WeakPolarHBondContact OG-CG 3.24Å; S37-E50 PolarHBondContact OG-OE1 2.89Å; Q38-E50 CarbonylContact O-C 3.49Å; Q38-E50 WeakPolarHBondContact O-CA 3.43Å; Y39-E50 HydrophobicContact CD1-CB 4.38Å; Y39-E50 HydrophobicContact CE1-CB 4.16Å
51	F	98	Very high	94.5	Very high	20 Å²	20	61.5 Å²	61.5	9%	0.088	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	161.6	170	80.9	-68.3	0	0	0	111.8	A27 Q38 Y40 Y53 N62	A27-F51 HydrophobicContact CB-CB 4.33Å; A27-F51 HydrophobicContact CB-CD2 3.95Å; A27-F51 HydrophobicContact CB-CE2 4.41Å; A27-F51 HydrophobicContact CB-CG 4.07Å; Q38-F51 HydrophobicContact CB-CD1 4.02Å; Q38-F51 HydrophobicContact CB-CE1 3.47Å; Q38-F51 VanDerWaalsContact CB-CE1 3.47Å; Q38-F51 HydrophobicContact CB-CZ 4.02Å; Q38-F51 PolarHBondContact N-O 2.01Å; Q38-F51 WeakPolarHBondContact O-CD1 3.13Å; Q38-F51 PolarHBondContact O-N 3.46Å; Y40-F51 HydrophobicContact CD1-CB 3.85Å; Y40-F51 AromaticContact CD1-CD1 3.72Å; Y40-F51 HydrophobicContact CD1-CD1 3.72Å; Y40-F51 AromaticContact CD1-CG 3.99Å; Y40-F51 HydrophobicContact CD1-CG 3.99Å; Y40-F51 HydrophobicContact CE1-CB 4.07Å; Y40-F51 HydrophobicContact CG-CD1 4.23Å; F51-Y53 HydrophobicContact CE2-CD2 4.49Å; F51-N62 HydrophobicContact CZ-CB 4.14Å
52	T	98.3	Very high	94.6	Very high	84 Å²	84	62.9 Å²	62.9	52%	0.515	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	107.9	175.9	-57.7	0	0	0	0	110.4	P29 K35 H36	P29-T52 WeakPolarHBondContact CB-O 3.33Å; K35-T52 HydrophobicContact CB-CG2 4.29Å; K35-T52 HydrophobicContact CG-CG2 4.34Å; H36-T52 CarbonylContact O-C 3.44Å; H36-T52 WeakPolarHBondContact O-CA 3.18Å
53	Y	98.2	Very high	94.8	Very high	41 Å²	41	62.2 Å²	62.2	16%	0.161	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	132.3	172.2	177.5	-125.7	0	0	0	111.3	H36 Q38 F51 G55 C56 E57 N62	H36-Y53 HydrophobicContact CB-CD1 4.32Å; H36-Y53 WeakPolarHBondContact CB-O 3.44Å; H36-Y53 PolarHBondContact CD2-O 3.24Å; H36-Y53 PolarHBondContact N-O 3.48Å; H36-Y53 PolarHBondContact O-N 2.78Å; Q38-Y53 HydrophobicContact CG-CD1 4.14Å; Q38-Y53 HydrophobicContact CG-CG 4.23Å; F51-Y53 HydrophobicContact CE2-CD2 4.49Å; Y53-G55 VanDerWaalsContact C-N 3.25Å; Y53-G55 PolarHBondContact O-N 2.85Å; Y53-C56 VanDerWaalsContact OH-CA 3.24Å; Y53-C56 WeakPolarHBondContact OH-CA 3.29Å; Y53-C56 PolarHBondContact OH-N 3.32Å; Y53-E57 VanDerWaalsContact CE2-O 3.22Å; Y53-E57 WeakPolarHBondContact CE2-O 2.99Å; Y53-E57 VanDerWaalsContact CZ-O 3.31Å; Y53-E57 PolarHBondContact OH-O 2.73Å; Y53-N62 WeakPolarHBondContact CD2-ND2 3.33Å
54	G	98	Very high	95.3	Very high	5 Å²	5	63.5 Å²	63.5	5%	0.052	35%	0.35	C	S	.	.			trans	-73.3	-12.7	-177.8	0	0	0	0	0	114.1	P29 C32 G34	P29-G54 WeakPolarHBondContact O-CA 3.24Å; P29-G54 PolarHBondContact O-N 3Å; C32-G54 CarbonylContact C-O 3.57Å; C32-G54 WeakPolarHBondContact CB-O 3.01Å; C32-G54 WeakPolarHBondContact O-CA 3.31Å; G34-G54 WeakPolarHBondContact CA-O 3.28Å; G34-G54 PolarHBondContact N-O 3.46Å
55	G	96.7	Very high	95.9	Very high	37 Å²	37	57.7 Å²	57.7	38%	0.381	32%	0.321	S	S	.	.	S	Bend	trans	92.1	7.1	175.7	0	0	0	0	0	115.4	Y53	Y53-G55 VanDerWaalsContact C-N 3.25Å; Y53-G55 PolarHBondContact O-N 2.85Å
56	C	97.4	Very high	96.1	Very high	37 Å²	37	58 Å²	58	25%	0.25	32%	0.319	C	S	.	.	S	Bend	trans	-154.8	157.7	167.1	75.3	0	0	0	0	111.6	C32 Y53	C32-C56 HydrophobicContact CB-CB 3.86Å; C32-C56 WeakPolarHBondContact CB-SG 3Å; C32-C56 WeakPolarHBondContact SG-CB 3.27Å; C32-C56 CovalentContact SG-SG 2.01Å; C32-C56 PolarHBondContact SG-SG 3.06Å; Y53-C56 VanDerWaalsContact OH-CA 3.24Å; Y53-C56 WeakPolarHBondContact OH-CA 3.29Å; Y53-C56 PolarHBondContact OH-N 3.32Å
57	E	95.3	Very high	96.5	Very high	150 Å²	150	59 Å²	59	70%	0.701	32%	0.323	S	S	*	.	S	Bend	trans	53.8	-147.9	-171.3	-52.1	-176.9	-173.1	0	0	110.7	P31 Y53	P31-E57 WeakPolarHBondContact CD-OE2 3.37Å; P31-E57 HydrophobicContact CG-CB 4.37Å; P31-E57 VanDerWaalsContact CG-CD 3.43Å; P31-E57 HydrophobicContact CG-CG 4Å; P31-E57 WeakPolarHBondContact CG-OE2 3.33Å; Y53-E57 VanDerWaalsContact CE2-O 3.22Å; Y53-E57 WeakPolarHBondContact CE2-O 2.99Å; Y53-E57 VanDerWaalsContact CZ-O 3.31Å; Y53-E57 PolarHBondContact OH-O 2.73Å
58	G	94	Very high	96.6	Very high	29 Å²	29	57.6 Å²	57.6	30%	0.299	32%	0.317	S	S	.	.			trans	99.6	-164.1	-171.6	0	0	0	0	0	112.2	D28	D28-G58 WeakPolarHBondContact OD2-CA 3.23Å
59	N	96.4	Very high	96.6	Very high	36 Å²	36	56.5 Å²	56.5	19%	0.193	31%	0.31	C	S	.	.			trans	-135.4	179.8	174.9	66.5	42.7	0	0	0	110.7	L25 P26 D28 N61 N62	L25-N59 HydrophobicContact CB-CB 4.48Å; L25-N59 HydrophobicContact CD1-CB 3.92Å; P26-N59 PolarHBondContact O-ND2 2.8Å; P26-N59 PolarHBondContact O-OD1 3.35Å; D28-N59 WeakPolarHBondContact CB-ND2 3.27Å; N59-N61 PolarHBondContact O-N 3.38Å; N59-N61 WeakPolarHBondContact OD1-CB 3.18Å; N59-N61 PolarHBondContact OD1-N 2.76Å; N59-N62 WeakPolarHBondContact O-CB 3.48Å
60	D	95.6	Very high	96.4	Very high	113 Å²	113	60.1 Å²	60.1	60%	0.604	32%	0.321	S	S	*	.	S	Bend	trans	-74.1	-7.3	-172.1	-62.3	-29.7	0	0	0	114	P22 L25 N62	P22-D60 HydrophobicContact CB-CB 3.83Å; P22-D60 HydrophobicContact CG-CB 3.85Å; L25-D60 HydrophobicContact CD1-CB 4.34Å; D60-N62 PolarHBondContact O-N 2.99Å
61	N	96.4	Very high	96.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	33%	0.327	C	S	.	.			trans	-80.7	60.7	171.7	-159.1	-2	0	0	0	111.1	P22 L25 Y40 Y41 N59 F63	P22-N61 WeakPolarHBondContact O-CB 3.4Å; L25-N61 HydrophobicContact CB-CB 4.03Å; L25-N61 PolarHBondContact O-ND2 3.46Å; Y40-N61 WeakPolarHBondContact CA-OD1 3.46Å; Y40-N61 WeakPolarHBondContact CB-O 3.12Å; Y41-N61 PolarHBondContact N-OD1 2.68Å; Y41-N61 PolarHBondContact O-ND2 2.76Å; N59-N61 PolarHBondContact O-N 3.38Å; N59-N61 WeakPolarHBondContact OD1-CB 3.18Å; N59-N61 PolarHBondContact OD1-N 2.76Å; N61-F63 VanDerWaalsContact OD1-CE2 3.3Å; N61-F63 WeakPolarHBondContact OD1-CE2 3.48Å
62	N	97.9	Very high	95.8	Very high	35 Å²	35	59.8 Å²	59.8	19%	0.187	34%	0.343	C	S	.	.			trans	-151.5	104.8	-171.8	-173.9	-18.9	0	0	0	109.6	Q38 Y39 F51 Y53 N59 D60	Q38-N62 VanDerWaalsContact CB-OD1 3.25Å; Q38-N62 WeakPolarHBondContact CB-OD1 3.18Å; Q38-N62 WeakPolarHBondContact CG-OD1 3.43Å; Q38-N62 PolarHBondContact NE2-OD1 3.36Å; Y39-N62 CarbonylContact O-C 3.26Å; Y39-N62 WeakPolarHBondContact O-CA 3.32Å; F51-N62 HydrophobicContact CZ-CB 4.14Å; Y53-N62 WeakPolarHBondContact CD2-ND2 3.33Å; N59-N62 WeakPolarHBondContact O-CB 3.48Å; D60-N62 PolarHBondContact O-N 2.99Å
63	F	97.4	Very high	95.4	Very high	24 Å²	24	56 Å²	56	11%	0.105	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-119.2	144.7	-172.7	-51.2	-77.3	0	0	0	110.8	Q38 Y39 N61 S65 E68 C69 A72	Q38-F63 PolarHBondContact NE2-O 3.41Å; Y39-F63 PolarHBondContact N-O 2.78Å; Y39-F63 WeakPolarHBondContact O-CD2 3.44Å; Y39-F63 PolarHBondContact O-N 2.93Å; N61-F63 VanDerWaalsContact OD1-CE2 3.3Å; N61-F63 WeakPolarHBondContact OD1-CE2 3.48Å; F63-S65 VanDerWaalsContact C-N 3.27Å; F63-S65 PolarHBondContact O-N 2.64Å; F63-E68 HydrophobicContact CB-CB 4.17Å; F63-C69 HydrophobicContact CB-CB 3.85Å; F63-C69 HydrophobicContact CD2-CB 3.4Å; F63-C69 VanDerWaalsContact CD2-SG 3.59Å; F63-C69 HydrophobicContact CE2-CB 4.11Å; F63-C69 HydrophobicContact CG-CB 3.75Å; F63-A72 HydrophobicContact CD1-CB 4.1Å; F63-A72 HydrophobicContact CE1-CB 3.31Å; F63-A72 HydrophobicContact CZ-CB 3.61Å
64	D	97	Very high	94.3	Very high	113 Å²	113	59.6 Å²	59.6	60%	0.604	35%	0.348	S	S	*	.	S	Bend	trans	-76.6	-17.9	-176.5	-72.9	-18.4	0	0	0	112.3	Q38 E68	Q38-D64 PolarHBondContact NE2-OD1 2.73Å; Q38-D64 PolarHBondContact OE1-OD1 3.01Å; D64-E68 PolarHBondContact N-OE2 3.27Å
65	S	97.1	Very high	92.6	Very high	28 Å²	28	60.7 Å²	60.7	20%	0.196	36%	0.36	C	S	.	.	S	Bend	trans	-144.4	159	179	65.2	0	0	0	0	112.2	F63 E67 E68 C69	F63-S65 VanDerWaalsContact C-N 3.27Å; F63-S65 PolarHBondContact O-N 2.64Å; S65-E67 WeakPolarHBondContact CB-OE2 3.28Å; S65-E67 PolarHBondContact O-N 2.74Å; S65-E68 PolarHBondContact O-N 2.87Å; S65-E68 WeakPolarHBondContact OG-CB 3.41Å; S65-E68 VanDerWaalsContact OG-CG 3.28Å; S65-E68 WeakPolarHBondContact OG-CG 3.39Å; S65-E68 PolarHBondContact OG-N 3.41Å; S65-E68 VanDerWaalsContact OG-N 3.14Å; S65-C69 PolarHBondContact O-N 3.3Å; S65-C69 VanDerWaalsContact O-N 3.09Å
66	I	94.7	Very high	90.6	Very high	56 Å²	56	60.1 Å²	60.1	29%	0.287	35%	0.354	S	S	.	.	H	α-helix	trans	-63.6	-36.2	174.4	-167.8	169	0	0	0	110.5	Y39 C48 E68 C69 E70	Y39-I66 HydrophobicContact CD1-CB 3.85Å; Y39-I66 HydrophobicContact CD1-CG1 4.24Å; Y39-I66 HydrophobicContact CE1-CB 3.76Å; Y39-I66 HydrophobicContact CE1-CD1 4.49Å; Y39-I66 HydrophobicContact CE1-CG1 4.35Å; Y39-I66 HydrophobicContact CG-CB 4.31Å; C48-I66 HydrophobicContact CB-CG1 4.02Å; I66-E68 PolarHBondContact O-N 2.82Å; I66-C69 WeakPolarHBondContact O-CB 3.44Å; I66-C69 PolarHBondContact O-N 3.02Å; I66-E70 HydrophobicContact CG1-CG 4.28Å; I66-E70 WeakPolarHBondContact O-CB 3.29Å; I66-E70 WeakPolarHBondContact O-CG 3.48Å; I66-E70 PolarHBondContact O-N 3.05Å
67	E	95.1	Very high	88.3	Confident	128 Å²	128	64.7 Å²	64.7	60%	0.598	37%	0.371	S	S	*	.	H	α-helix	trans	-64.9	-39	178.3	-62.9	84.4	174.4	0	0	112.1	S65 A71	S65-E67 WeakPolarHBondContact CB-OE2 3.28Å; S65-E67 PolarHBondContact O-N 2.74Å; E67-A71 WeakPolarHBondContact O-CB 3.44Å; E67-A71 PolarHBondContact O-N 3.08Å
68	E	95.5	Very high	86.1	Confident	98 Å²	98	62.4 Å²	62.4	46%	0.458	36%	0.361	S	S	.	.	H	α-helix	trans	-67.2	-41.4	173.7	-78.3	173.1	-166	0	0	111.8	F63 D64 S65 I66 A71 A72	F63-E68 HydrophobicContact CB-CB 4.17Å; D64-E68 PolarHBondContact N-OE2 3.27Å; S65-E68 PolarHBondContact O-N 2.87Å; S65-E68 WeakPolarHBondContact OG-CB 3.41Å; S65-E68 VanDerWaalsContact OG-CG 3.28Å; S65-E68 WeakPolarHBondContact OG-CG 3.39Å; S65-E68 PolarHBondContact OG-N 3.41Å; S65-E68 VanDerWaalsContact OG-N 3.14Å; I66-E68 PolarHBondContact O-N 2.82Å; E68-A71 PolarHBondContact O-N 3.25Å; E68-A72 VanDerWaalsContact O-CB 3.25Å; E68-A72 WeakPolarHBondContact O-CB 3.34Å; E68-A72 PolarHBondContact O-N 3.49Å
69	C	95.1	Very high	84	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.5	-48.3	175.4	178.4	0	0	0	0	111.5	Y40 C48 F63 S65 I66 A71 A72 C73	Y40-C69 VanDerWaalsContact C-SG 3.58Å; C48-C69 HydrophobicContact CB-CB 3.76Å; C48-C69 WeakPolarHBondContact CB-SG 3.08Å; C48-C69 WeakPolarHBondContact SG-CB 3.15Å; C48-C69 CovalentContact SG-SG 2.03Å; C48-C69 PolarHBondContact SG-SG 2.82Å; F63-C69 HydrophobicContact CB-CB 3.85Å; F63-C69 HydrophobicContact CD2-CB 3.4Å; F63-C69 VanDerWaalsContact CD2-SG 3.59Å; F63-C69 HydrophobicContact CE2-CB 4.11Å; F63-C69 HydrophobicContact CG-CB 3.75Å; S65-C69 PolarHBondContact O-N 3.3Å; S65-C69 VanDerWaalsContact O-N 3.09Å; I66-C69 WeakPolarHBondContact O-CB 3.44Å; I66-C69 PolarHBondContact O-N 3.02Å; C69-A71 VanDerWaalsContact C-N 3.32Å; C69-A71 PolarHBondContact O-N 3.15Å; C69-A72 PolarHBondContact O-N 3.42Å; C69-C73 WeakPolarHBondContact O-CA 3.17Å; C69-C73 WeakPolarHBondContact O-CB 3.4Å; C69-C73 PolarHBondContact O-N 2.89Å
70	E	92.5	Very high	81.9	Confident	106 Å²	106	71 Å²	71	50%	0.495	39%	0.392	S	S	.	.	H	α-helix	trans	-65.7	-35.2	179.5	-71.9	176.5	168.5	0	0	111.8	C48 I66 C73 P74	C48-E70 HydrophobicContact CB-CG 4.26Å; C48-E70 PolarHBondContact SG-N 3.3Å; C48-E70 VanDerWaalsContact SG-N 3.37Å; I66-E70 HydrophobicContact CG1-CG 4.28Å; I66-E70 WeakPolarHBondContact O-CB 3.29Å; I66-E70 WeakPolarHBondContact O-CG 3.48Å; I66-E70 PolarHBondContact O-N 3.05Å; E70-C73 CarbonylContact O-C 3.56Å; E70-P74 WeakPolarHBondContact O-CA 3.39Å
71	A	91.7	Very high	80	Confident	84 Å²	84	73.3 Å²	73.3	69%	0.694	40%	0.404	S	S	*	.	H	α-helix	trans	-70.8	-35.9	175.4	0	0	0	0	0	112.7	E67 E68 C69	E67-A71 WeakPolarHBondContact O-CB 3.44Å; E67-A71 PolarHBondContact O-N 3.08Å; E68-A71 PolarHBondContact O-N 3.25Å; C69-A71 VanDerWaalsContact C-N 3.32Å; C69-A71 PolarHBondContact O-N 3.15Å
72	A	91.5	Very high	78.9	Confident	51 Å²	51	77.6 Å²	77.6	42%	0.421	42%	0.424	S	S	.	.	H	α-helix	trans	-78.4	-33.2	178	0	0	0	0	0	112.5	F63 E68 C69	F63-A72 HydrophobicContact CD1-CB 4.1Å; F63-A72 HydrophobicContact CE1-CB 3.31Å; F63-A72 HydrophobicContact CZ-CB 3.61Å; E68-A72 VanDerWaalsContact O-CB 3.25Å; E68-A72 WeakPolarHBondContact O-CB 3.34Å; E68-A72 PolarHBondContact O-N 3.49Å; C69-A72 PolarHBondContact O-N 3.42Å
73	C	90.8	Very high	78.4	Confident	5 Å²	5	79.6 Å²	79.6	3%	0.034	44%	0.435	C	S	.	.	S	Bend	trans	-129.7	77.3	-175.1	-59.6	0	0	0	0	109.8	C23 Y41 C69 E70 G75	C23-C73 VanDerWaalsContact CA-SG 3.54Å; C23-C73 HydrophobicContact CB-CB 3.81Å; C23-C73 WeakPolarHBondContact CB-SG 3.5Å; C23-C73 WeakPolarHBondContact SG-CA 3.02Å; C23-C73 WeakPolarHBondContact SG-CB 3.49Å; C23-C73 CovalentContact SG-SG 2.03Å; C23-C73 PolarHBondContact SG-SG 3.01Å; Y41-C73 VanDerWaalsContact CB-SG 3.56Å; Y41-C73 HydrophobicContact CD1-CB 4.19Å; Y41-C73 HydrophobicContact CD2-CB 3.31Å; Y41-C73 HydrophobicContact CE2-CB 3.99Å; Y41-C73 WeakPolarHBondContact CE2-O 3.49Å; Y41-C73 HydrophobicContact CG-CB 3.42Å; Y41-C73 VanDerWaalsContact CG-CB 3.42Å; C69-C73 WeakPolarHBondContact O-CA 3.17Å; C69-C73 WeakPolarHBondContact O-CB 3.4Å; C69-C73 PolarHBondContact O-N 2.89Å; E70-C73 CarbonylContact O-C 3.56Å; C73-G75 PolarHBondContact O-N 3.35Å
74	P	74.8	Confident	78.1	Confident	116 Å²	116	79.5 Å²	79.5	75%	0.753	44%	0.437	S	S	*	.			trans	-68.2	22.6	-170	26.4	-35.1	0	0	0	116.3	E70	E70-P74 WeakPolarHBondContact O-CA 3.39Å
75	G	62.6	Low	77.9	Confident	28 Å²	28	74.3 Å²	74.3	29%	0.289	41%	0.409	S	S	.	.	S	Bend	trans	81.4	96.3	178.3	0	0	0	0	0	111.5	Y41 C73 E77	Y41-G75 WeakPolarHBondContact OH-CA 3.07Å; C73-G75 PolarHBondContact O-N 3.35Å; G75-E77 PolarHBondContact O-N 3.08Å
76	G	53.2	Low	77.7	Confident	25 Å²	25	78.2 Å²	78.2	26%	0.258	42%	0.424	S	S	.	.	S	Bend	trans	65	-1	138.1	0	0	0	0	0	119.6	Y41 E78	Y41-G76 WeakPolarHBondContact OH-CA 3.25Å; Y41-G76 PolarHBondContact OH-N 3.43Å; G76-E78 VanDerWaalsContact C-N 3.26Å; G76-E78 PolarHBondContact O-N 3.29Å; G76-E78 VanDerWaalsContact O-N 3.08Å
77	E	49.6	Very low	77.7	Confident	133 Å²	133	76.9 Å²	76.9	62%	0.621	42%	0.417	S	S	*	.			trans	-84.4	81.9	168	-64.8	-170.1	167.8	0	0	107.5	G75 H79 E80	G75-E77 PolarHBondContact O-N 3.08Å; E77-H79 PolarHBondContact O-N 3.03Å; E77-E80 HydrophobicContact CB-CG 4.48Å; E77-E80 VanDerWaalsContact OE2-CG 3.24Å; E77-E80 WeakPolarHBondContact OE2-CG 3.47Å
78	E	49.1	Very low	77.7	Confident	103 Å²	103	75.1 Å²	75.1	48%	0.481	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.3	99.5	150.1	-78.6	-164.4	138.8	0	0	107.7	K24 W43 G76	K24-E78 VanDerWaalsContact CE-OE1 3.25Å; K24-E78 WeakPolarHBondContact CE-OE1 3.12Å; K24-E78 IonicContact NZ-OE1 2.67Å; K24-E78 PolarHBondContact NZ-OE1 3.39Å; W43-E78 HydrophobicContact CH2-CG 3.4Å; W43-E78 VanDerWaalsContact CH2-CG 3.4Å; W43-E78 VanDerWaalsContact CZ2-CD 3.43Å; W43-E78 HydrophobicContact CZ2-CG 3.58Å; W43-E78 WeakPolarHBondContact CZ2-OE1 3.24Å; G76-E78 VanDerWaalsContact C-N 3.26Å; G76-E78 PolarHBondContact O-N 3.29Å; G76-E78 VanDerWaalsContact O-N 3.08Å
79	H	50.7	Low	77.8	Confident	86 Å²	86	72.3 Å²	72.3	40%	0.398	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.1	65.5	163	-52.8	-87.3	0	0	0	117.1	E77 D81 E82	E77-H79 PolarHBondContact O-N 3.03Å; H79-D81 PolarHBondContact O-N 2.02Å; H79-E82 HydrophobicContact CB-CB 4.03Å; H79-E82 HydrophobicContact CB-CG 4.28Å; H79-E82 IonicContact CE1-OE1 2.81Å; H79-E82 PolarHBondContact CE1-OE1 3.46Å; H79-E82 VanDerWaalsContact ND1-CD 3.29Å; H79-E82 WeakPolarHBondContact ND1-CG 3.35Å; H79-E82 IonicContact ND1-OE1 2.75Å; H79-E82 PolarHBondContact ND1-OE1 2.79Å; H79-E82 IonicContact ND1-OE2 3.02Å
80	E	51.5	Low	77.9	Confident	160 Å²	160	75.4 Å²	75.4	75%	0.748	43%	0.428	S	S	*	.	S	Bend	trans	-67.4	-12.6	146.1	-82.3	-159.4	150.5	0	0	112.1	E77	E77-E80 HydrophobicContact CB-CG 4.48Å; E77-E80 VanDerWaalsContact OE2-CG 3.24Å; E77-E80 WeakPolarHBondContact OE2-CG 3.47Å
81	D	56.4	Low	78.1	Confident	161 Å²	161	73.1 Å²	73.1	86%	0.861	42%	0.423	S	S	*	.	S	Bend	trans	-92.5	-16.1	-176.9	-69.6	-41.1	0	0	0	115.1	H79	H79-D81 PolarHBondContact O-N 2.02Å
82	E	72.2	Confident	78.4	Confident	89 Å²	89	70.2 Å²	70.2	42%	0.416	40%	0.401	S	S	.	.	S	Bend	trans	-94.8	107.4	173.7	-67.5	-174.6	-168.4	0	0	108.7	H79 P84 L87	H79-E82 HydrophobicContact CB-CB 4.03Å; H79-E82 HydrophobicContact CB-CG 4.28Å; H79-E82 IonicContact CE1-OE1 2.81Å; H79-E82 PolarHBondContact CE1-OE1 3.46Å; H79-E82 VanDerWaalsContact ND1-CD 3.29Å; H79-E82 WeakPolarHBondContact ND1-CG 3.35Å; H79-E82 IonicContact ND1-OE1 2.75Å; H79-E82 PolarHBondContact ND1-OE1 2.79Å; H79-E82 IonicContact ND1-OE2 3.02Å; E82-P84 VanDerWaalsContact O-CD 3.24Å; E82-P84 WeakPolarHBondContact O-CD 3.13Å; E82-L87 HydrophobicContact CB-CD2 4.19Å; E82-L87 VanDerWaalsContact OE2-CD2 3.26Å; E82-L87 WeakPolarHBondContact OE2-CD2 3.3Å
83	D	87.3	Confident	78.6	Confident	78 Å²	78	71.5 Å²	71.5	42%	0.417	41%	0.405	S	S	.	.			trans	-49.3	117	171.9	178.6	0.6	0	0	0	109	C85 E86	D83-C85 PolarHBondContact O-N 2.03Å; D83-C85 WeakPolarHBondContact OD1-CB 3.4Å; D83-C85 PolarHBondContact OD1-N 3.31Å; D83-C85 PolarHBondContact OD1-SG 2.78Å; D83-E86 HydrophobicContact CB-CB 4.27Å; D83-E86 HydrophobicContact CB-CG 3.68Å; D83-E86 WeakPolarHBondContact O-CA 3.35Å; D83-E86 VanDerWaalsContact O-CB 3.29Å; D83-E86 WeakPolarHBondContact O-CB 3.43Å; D83-E86 PolarHBondContact O-N 2.8Å
84	P	91.9	Very high	78.9	Confident	21 Å²	21	74 Å²	74	14%	0.136	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-53.5	-30	-179.5	-29.1	36.5	0	0	0	112.6	E82 E86 L87 D122 N123 F125	E82-P84 VanDerWaalsContact O-CD 3.24Å; E82-P84 WeakPolarHBondContact O-CD 3.13Å; P84-E86 PolarHBondContact O-N 2.91Å; P84-L87 PolarHBondContact O-N 2.62Å; P84-D122 HydrophobicContact CB-CB 4.01Å; P84-D122 HydrophobicContact CG-CB 4Å; P84-N123 WeakPolarHBondContact O-CB 3.29Å; P84-N123 PolarHBondContact O-ND2 3.34Å; P84-F125 HydrophobicContact CB-CZ 4.46Å
85	C	93.7	Very high	80	Confident	4 Å²	4	80 Å²	80	3%	0.027	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-68.6	-17.2	179.1	-46	0	0	0	0	112	D83 Y103 C135	D83-C85 PolarHBondContact O-N 2.03Å; D83-C85 WeakPolarHBondContact OD1-CB 3.4Å; D83-C85 PolarHBondContact OD1-N 3.31Å; D83-C85 PolarHBondContact OD1-SG 2.78Å; C85-Y103 HydrophobicContact CB-CD1 4.17Å; C85-Y103 HydrophobicContact CB-CG 4.44Å; C85-Y103 WeakPolarHBondContact O-CD1 3.35Å; C85-C135 WeakPolarHBondContact CA-SG 3.12Å; C85-C135 HydrophobicContact CB-CB 3.46Å; C85-C135 VanDerWaalsContact CB-CB 3.46Å; C85-C135 WeakPolarHBondContact CB-SG 3.2Å; C85-C135 WeakPolarHBondContact SG-CA 3.25Å; C85-C135 WeakPolarHBondContact SG-CB 3.28Å; C85-C135 CovalentContact SG-SG 2.02Å; C85-C135 PolarHBondContact SG-SG 3.49Å
86	E	91.7	Very high	81.6	Confident	110 Å²	110	80.6 Å²	80.6	51%	0.514	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-88.3	-14.4	177.9	-60.3	-73.7	106.2	0	0	114.3	D83 P84 K105	D83-E86 HydrophobicContact CB-CB 4.27Å; D83-E86 HydrophobicContact CB-CG 3.68Å; D83-E86 WeakPolarHBondContact O-CA 3.35Å; D83-E86 VanDerWaalsContact O-CB 3.29Å; D83-E86 WeakPolarHBondContact O-CB 3.43Å; D83-E86 PolarHBondContact O-N 2.8Å; P84-E86 PolarHBondContact O-N 2.91Å; E86-K105 VanDerWaalsContact CB-NZ 3.25Å; E86-K105 PolarHBondContact O-NZ 3.42Å; E86-K105 WeakPolarHBondContact OE1-CE 3.45Å; E86-K105 IonicContact OE1-NZ 3.15Å; E86-K105 PolarHBondContact OE1-NZ 2.54Å; E86-K105 WeakPolarHBondContact OE2-CE 3.24Å; E86-K105 IonicContact OE2-NZ 3.19Å; E86-K105 PolarHBondContact OE2-NZ 2.89Å
87	L	94.3	Very high	83.8	Confident	28 Å²	28	86 Å²	86	15%	0.147	45%	0.45	C	S	.	.	S	Bend	trans	-86.8	156.7	-175	-55	174.8	0	0	0	112.3	E82 P84 N121 D122 N123	E82-L87 HydrophobicContact CB-CD2 4.19Å; E82-L87 VanDerWaalsContact OE2-CD2 3.26Å; E82-L87 WeakPolarHBondContact OE2-CD2 3.3Å; P84-L87 PolarHBondContact O-N 2.62Å; L87-N121 HydrophobicContact CD1-CB 4.01Å; L87-D122 HydrophobicContact CD1-CB 4.5Å; L87-N123 HydrophobicContact CB-CB 4.05Å; L87-N123 PolarHBondContact O-ND2 2.77Å
88	P	95.7	Very high	86.1	Confident	92 Å²	92	84.6 Å²	84.6	60%	0.597	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-76.9	163.8	173.1	32.4	-35.9	0	0	0	112.2	D90 N121	P88-D90 PolarHBondContact O-N 2.89Å; P88-N121 PolarHBondContact O-ND2 2.96Å; P88-N121 PolarHBondContact O-OD1 2.87Å
89	A	97.2	Very high	88.4	Confident	39 Å²	39	83.7 Å²	83.7	32%	0.322	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-64.9	127.2	166.8	0	0	0	0	0	110.7	Y102 F113	A89-Y102 HydrophobicContact CB-CD1 3.82Å; A89-Y102 HydrophobicContact CB-CD2 3.52Å; A89-Y102 HydrophobicContact CB-CE1 4.01Å; A89-Y102 HydrophobicContact CB-CE2 3.72Å; A89-Y102 HydrophobicContact CB-CG 3.56Å; A89-F113 HydrophobicContact CB-CB 4.14Å; A89-F113 HydrophobicContact CB-CD1 4.36Å; A89-F113 HydrophobicContact CB-CD2 4.06Å; A89-F113 HydrophobicContact CB-CG 3.94Å
90	D	97.5	Very high	90.7	Very high	65 Å²	65	81.6 Å²	81.6	35%	0.348	43%	0.433	S	S	.	.			trans	-122.9	110.3	179.7	-168.4	-8.6	0	0	0	112.6	P88 G92 F113 G120 N121	P88-D90 PolarHBondContact O-N 2.89Å; D90-G92 VanDerWaalsContact C-N 3.28Å; D90-G92 PolarHBondContact O-N 3.25Å; D90-G92 PolarHBondContact OD1-N 3.09Å; D90-F113 WeakPolarHBondContact O-CE2 3.42Å; D90-G120 WeakPolarHBondContact OD2-CA 3.24Å; D90-N121 HydrophobicContact CB-CB 4.48Å
91	S	97.7	Very high	92.9	Very high	58 Å²	58	77.2 Å²	77.2	41%	0.406	41%	0.41	S	S	.	.			trans	-70.1	-20.6	177.9	-67.9	0	0	0	0	113.8	V114 G116	S91-V114 WeakPolarHBondContact CB-O 3.4Å; S91-V114 PolarHBondContact OG-O 3.08Å; S91-G116 VanDerWaalsContact O-CA 3.31Å; S91-G116 WeakPolarHBondContact O-CA 3.37Å; S91-G116 PolarHBondContact O-N 3.42Å
92	G	96.2	Very high	94.9	Very high	22 Å²	22	71.5 Å²	71.5	23%	0.227	38%	0.377	C	S	.	.			trans	65.3	178.5	-171.3	0	0	0	0	0	114.1	D90	D90-G92 VanDerWaalsContact C-N 3.28Å; D90-G92 PolarHBondContact O-N 3.25Å; D90-G92 PolarHBondContact OD1-N 3.09Å
93	P	95.9	Very high	96.1	Very high	79 Å²	79	68.3 Å²	68.3	51%	0.513	36%	0.361	S	S	.	.	S	Bend	trans	-84.8	-16.1	-175.1	33	-34.8	0	0	0	114	E119	P93-E119 VanDerWaalsContact CD-OE2 3.23Å; P93-E119 WeakPolarHBondContact CD-OE2 3.42Å; P93-E119 HydrophobicContact CG-CB 4.49Å; P93-E119 VanDerWaalsContact CG-CD 3.43Å; P93-E119 HydrophobicContact CG-CG 4.22Å; P93-E119 VanDerWaalsContact CG-OE2 3.27Å; P93-E119 WeakPolarHBondContact CG-OE2 3.4Å
94	C	97.7	Very high	96.5	Very high	56 Å²	56	65.9 Å²	65.9	38%	0.378	35%	0.348	S	S	.	.			trans	-71.5	165.2	177.9	-74.2	0	0	0	0	112.4	G116 C118	C94-G116 CarbonylContact C-O 3.39Å; C94-G116 VanDerWaalsContact C-O 3.26Å; C94-G116 WeakPolarHBondContact CB-O 3.48Å; C94-G116 VanDerWaalsContact O-CA 3.26Å; C94-G116 WeakPolarHBondContact O-CA 3.11Å; C94-C118 HydrophobicContact CB-CB 3.85Å; C94-C118 WeakPolarHBondContact CB-SG 3.38Å; C94-C118 WeakPolarHBondContact SG-CB 3.32Å; C94-C118 CovalentContact SG-SG 2.01Å; C94-C118 PolarHBondContact SG-SG 3.41Å
95	R	97.3	Very high	96.4	Very high	242 Å²	242	68.9 Å²	68.9	91%	0.913	36%	0.359	S	S	*	.			trans	-124.6	20.1	-169.1	-60.3	-177.4	-178.9	167.2	-0	114.2	G116	R95-G116 PolarHBondContact N-O 3.15Å
96	A	97.4	Very high	96.2	Very high	41 Å²	41	77.7 Å²	77.7	34%	0.339	40%	0.4	S	S	.	.			trans	-69	167.2	165.9	0	0	0	0	0	110	F98 G116	A96-F98 HydrophobicContact CB-CD2 3.72Å; A96-F98 HydrophobicContact CB-CE2 3.25Å; A96-F98 HydrophobicContact CB-CZ 3.9Å; A96-G116 WeakPolarHBondContact CA-O 3.33Å; A96-G116 WeakPolarHBondContact CB-O 2.85Å; A96-G116 PolarHBondContact N-O 2.85Å; A96-G116 WeakPolarHBondContact O-CA 3.4Å
97	H	98	Very high	96.2	Very high	140 Å²	140	74.6 Å²	74.6	65%	0.648	39%	0.39	S	S	*	.			trans	-121.8	84.2	-178.7	-175.3	-72.1	0	0	0	109.5	V114	H97-V114 HydrophobicContact CB-CG1 4.47Å
98	F	98	Very high	96	Very high	103 Å²	103	78.5 Å²	78.5	45%	0.452	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	115.7	174.8	-58.7	-64.3	0	0	0	109.4	A96 K100 V114 Y115	A96-F98 HydrophobicContact CB-CD2 3.72Å; A96-F98 HydrophobicContact CB-CE2 3.25Å; A96-F98 HydrophobicContact CB-CZ 3.9Å; F98-K100 PolarHBondContact O-N 3.48Å; F98-V114 WeakPolarHBondContact O-CA 3.28Å; F98-Y115 HydrophobicContact CD2-CD1 4.33Å; F98-Y115 PolarHBondContact N-O 2.73Å; F98-Y115 VanDerWaalsContact N-O 3.12Å; F98-Y115 PolarHBondContact O-N 3.43Å
99	V	98.3	Very high	95.9	Very high	83 Å²	83	80.6 Å²	80.6	50%	0.503	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	124.2	170.8	-180	0	0	0	0	107.7	T112 F113	V99-T112 HydrophobicContact CG1-CG2 4.09Å; V99-F113 WeakPolarHBondContact CA-O 3.32Å
100	K	98.4	Very high	95.9	Very high	43 Å²	43	79.5 Å²	79.5	19%	0.187	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	166.3	178.1	-63.2	-66.1	-174.3	178.1	0	109.1	F98 T112 F113 R124 D126	F98-K100 PolarHBondContact O-N 3.48Å; K100-T112 CarbonylContact O-C 3.58Å; K100-T112 VanDerWaalsContact O-CA 3.25Å; K100-T112 WeakPolarHBondContact O-CA 3.33Å; K100-F113 HydrophobicContact CB-CD1 4.05Å; K100-F113 HydrophobicContact CB-CE1 3.55Å; K100-F113 HydrophobicContact CB-CZ 4.07Å; K100-F113 PolarHBondContact N-O 3.14Å; K100-F113 PolarHBondContact O-N 2.75Å; K100-R124 HydrophobicContact CB-CG 3.86Å; K100-R124 HydrophobicContact CD-CG 4.29Å; K100-R124 HydrophobicContact CG-CG 3.82Å; K100-D126 IonicContact NZ-OD1 3.98Å; K100-D126 PolarHBondContact NZ-OD1 3.26Å
101	Y	98.4	Very high	95.9	Very high	67 Å²	67	79.2 Å²	79.2	26%	0.263	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	148.2	173.2	-64.3	-93.2	0	0	0	110	D111 T112 R124 F125 V128	Y101-D111 CarbonylContact C-O 3.59Å; Y101-D111 WeakPolarHBondContact CA-O 3.2Å; Y101-T112 HydrophobicContact CD1-CG2 3.86Å; Y101-T112 HydrophobicContact CE1-CG2 3.53Å; Y101-R124 CarbonylContact O-C 3.58Å; Y101-R124 WeakPolarHBondContact O-CA 3.4Å; Y101-F125 PolarHBondContact N-O 2.03Å; Y101-F125 PolarHBondContact O-N 2.03Å; Y101-V128 HydrophobicContact CD1-CB 3.82Å; Y101-V128 HydrophobicContact CD1-CG2 4.23Å; Y101-V128 HydrophobicContact CE1-CB 3.64Å; Y101-V128 HydrophobicContact CE1-CG2 4.25Å; Y101-V128 HydrophobicContact CG-CB 4.38Å
102	Y	97.9	Very high	95.9	Very high	41 Å²	41	80.4 Å²	80.4	16%	0.161	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	151.6	170.4	80.8	-73.9	0	0	0	108.6	A89 N104 C110 D111 F113 N123	A89-Y102 HydrophobicContact CB-CD1 3.82Å; A89-Y102 HydrophobicContact CB-CD2 3.52Å; A89-Y102 HydrophobicContact CB-CE1 4.01Å; A89-Y102 HydrophobicContact CB-CE2 3.72Å; A89-Y102 HydrophobicContact CB-CG 3.56Å; Y102-N104 HydrophobicContact CD2-CB 4.45Å; Y102-N104 HydrophobicContact CE2-CB 3.66Å; Y102-N104 PolarHBondContact O-N 2.96Å; Y102-N104 PolarHBondContact OH-ND2 2.91Å; Y102-C110 CarbonylContact O-C 3.53Å; Y102-C110 WeakPolarHBondContact O-CA 2.96Å; Y102-D111 HydrophobicContact CD1-CB 4.3Å; Y102-D111 VanDerWaalsContact CD1-O 3.26Å; Y102-D111 WeakPolarHBondContact CD1-O 2.97Å; Y102-D111 HydrophobicContact CE1-CB 3.63Å; Y102-D111 PolarHBondContact N-O 3.36Å; Y102-D111 PolarHBondContact O-N 2.81Å; Y102-F113 HydrophobicContact CD1-CB 3.96Å; Y102-F113 AromaticContact CD1-CD1 3.74Å; Y102-F113 HydrophobicContact CD1-CD1 3.74Å; Y102-F113 HydrophobicContact CD1-CG 4.16Å; Y102-F113 HydrophobicContact CE1-CB 4.17Å; Y102-F113 HydrophobicContact CG-CD1 4.14Å; Y102-N123 VanDerWaalsContact CA-OD1 3.27Å; Y102-N123 WeakPolarHBondContact CA-OD1 3.39Å; Y102-N123 WeakPolarHBondContact CB-O 3.4Å; Y102-N123 WeakPolarHBondContact CB-OD1 3.36Å
103	Y	97.4	Very high	96	Very high	23 Å²	23	80.4 Å²	80.4	9%	0.09	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	116	171.8	-171.8	-100.6	0	0	0	110.3	C85 K105 N108 N123 C135	C85-Y103 HydrophobicContact CB-CD1 4.17Å; C85-Y103 HydrophobicContact CB-CG 4.44Å; C85-Y103 WeakPolarHBondContact O-CD1 3.35Å; Y103-K105 HydrophobicContact CD1-CG 4.12Å; Y103-K105 HydrophobicContact CE1-CG 4Å; Y103-N108 WeakPolarHBondContact OH-CA 3.47Å; Y103-N108 PolarHBondContact OH-OD1 3.01Å; Y103-N123 PolarHBondContact N-OD1 3.43Å; Y103-N123 PolarHBondContact O-ND2 3.29Å; Y103-C135 HydrophobicContact CD1-CB 4.21Å; Y103-C135 HydrophobicContact CD2-CB 3.39Å; Y103-C135 HydrophobicContact CE2-CB 4.1Å; Y103-C135 WeakPolarHBondContact CE2-O 3.33Å; Y103-C135 HydrophobicContact CG-CB 3.44Å; Y103-C135 VanDerWaalsContact CG-CB 3.44Å
104	N	95.7	Very high	96.1	Very high	27 Å²	27	79.4 Å²	79.4	14%	0.144	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	103.4	174.9	-178.9	-6.3	0	0	0	109.6	Y102 E106 S107 N108 K109 D111	Y102-N104 HydrophobicContact CD2-CB 4.45Å; Y102-N104 HydrophobicContact CE2-CB 3.66Å; Y102-N104 PolarHBondContact O-N 2.96Å; Y102-N104 PolarHBondContact OH-ND2 2.91Å; N104-E106 VanDerWaalsContact C-N 3.25Å; N104-E106 PolarHBondContact O-N 3.37Å; N104-E106 WeakPolarHBondContact OD1-CB 3.47Å; N104-E106 PolarHBondContact OD1-N 2.79Å; N104-S107 WeakPolarHBondContact CB-OG 3.03Å; N104-S107 PolarHBondContact ND2-OG 2.77Å; N104-S107 CarbonylContact O-C 3.56Å; N104-S107 PolarHBondContact O-N 3.45Å; N104-S107 PolarHBondContact O-OG 2.84Å; N104-N108 WeakPolarHBondContact O-CA 3.24Å; N104-N108 PolarHBondContact O-N 3.23Å; N104-K109 WeakPolarHBondContact CB-O 2.87Å; N104-K109 PolarHBondContact N-O 3.45Å; N104-K109 PolarHBondContact O-N 3.27Å; N104-D111 HydrophobicContact CB-CB 4.29Å; N104-D111 VanDerWaalsContact CB-OD2 3.31Å; N104-D111 WeakPolarHBondContact CB-OD2 3.43Å; N104-D111 PolarHBondContact ND2-OD2 2.74Å
105	K	90.5	Very high	96.1	Very high	84 Å²	84	78 Å²	78	37%	0.365	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.9	175.2	-81.3	171.2	142.1	172.1	0	114.9	E86 Y103 S107 N108	E86-K105 VanDerWaalsContact CB-NZ 3.25Å; E86-K105 PolarHBondContact O-NZ 3.42Å; E86-K105 WeakPolarHBondContact OE1-CE 3.45Å; E86-K105 IonicContact OE1-NZ 3.15Å; E86-K105 PolarHBondContact OE1-NZ 2.54Å; E86-K105 WeakPolarHBondContact OE2-CE 3.24Å; E86-K105 IonicContact OE2-NZ 3.19Å; E86-K105 PolarHBondContact OE2-NZ 2.89Å; Y103-K105 HydrophobicContact CD1-CG 4.12Å; Y103-K105 HydrophobicContact CE1-CG 4Å; K105-S107 VanDerWaalsContact C-N 3.27Å; K105-S107 PolarHBondContact O-N 3.44Å; K105-N108 PolarHBondContact O-OD1 3.28Å
106	E	89.7	Confident	96.2	Very high	188 Å²	188	66.7 Å²	66.7	88%	0.879	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-33.9	-179.8	-61.2	-173.8	169.8	0	0	111	N104	N104-E106 VanDerWaalsContact C-N 3.25Å; N104-E106 PolarHBondContact O-N 3.37Å; N104-E106 WeakPolarHBondContact OD1-CB 3.47Å; N104-E106 PolarHBondContact OD1-N 2.79Å
107	S	91.1	Very high	96	Very high	45 Å²	45	66.4 Å²	66.4	32%	0.315	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-10.7	179.8	69.8	0	0	0	0	113.7	N104 K105 K109 D111	N104-S107 WeakPolarHBondContact CB-OG 3.03Å; N104-S107 PolarHBondContact ND2-OG 2.77Å; N104-S107 CarbonylContact O-C 3.56Å; N104-S107 PolarHBondContact O-N 3.45Å; N104-S107 PolarHBondContact O-OG 2.84Å; K105-S107 VanDerWaalsContact C-N 3.27Å; K105-S107 PolarHBondContact O-N 3.44Å; S107-K109 WeakPolarHBondContact O-CG 3.34Å; S107-K109 PolarHBondContact O-N 3.2Å; S107-K109 PolarHBondContact OG-N 2.97Å; S107-D111 PolarHBondContact OG-OD2 2.85Å
108	N	89.9	Confident	95.8	Very high	111 Å²	111	61.4 Å²	61.4	59%	0.594	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	42.7	-167.6	-65.4	-58.7	0	0	0	112.5	Y103 N104 K105	Y103-N108 WeakPolarHBondContact OH-CA 3.47Å; Y103-N108 PolarHBondContact OH-OD1 3.01Å; N104-N108 WeakPolarHBondContact O-CA 3.24Å; N104-N108 PolarHBondContact O-N 3.23Å; K105-N108 PolarHBondContact O-OD1 3.28Å
109	K	93.8	Very high	95.5	Very high	136 Å²	136	63.2 Å²	63.2	59%	0.591	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142	156.3	-175.6	-69.4	175.8	-175	179.7	0	111.8	N104 S107 D111	N104-K109 WeakPolarHBondContact CB-O 2.87Å; N104-K109 PolarHBondContact N-O 3.45Å; N104-K109 PolarHBondContact O-N 3.27Å; S107-K109 WeakPolarHBondContact O-CG 3.34Å; S107-K109 PolarHBondContact O-N 3.2Å; S107-K109 PolarHBondContact OG-N 2.97Å; K109-D111 PolarHBondContact O-N 3.25Å
110	C	96.7	Very high	95.2	Very high	16 Å²	16	60.7 Å²	60.7	11%	0.108	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	107.6	167.4	-69	0	0	0	0	110.4	Y102 V128 C131 E132	Y102-C110 CarbonylContact O-C 3.53Å; Y102-C110 WeakPolarHBondContact O-CA 2.96Å; C110-V128 HydrophobicContact CB-CG2 3.9Å; C110-C131 HydrophobicContact CB-CB 3.69Å; C110-C131 WeakPolarHBondContact CB-SG 3.35Å; C110-C131 WeakPolarHBondContact SG-CB 3.45Å; C110-C131 CovalentContact SG-SG 2.03Å; C110-C131 PolarHBondContact SG-SG 3.26Å; C110-E132 HydrophobicContact CB-CG 4.12Å; C110-E132 PolarHBondContact SG-N 3.17Å
111	D	97.2	Very high	95	Very high	58 Å²	58	60 Å²	60	31%	0.31	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	162.5	176.7	-75.4	-42.1	0	0	0	110	Y101 Y102 N104 S107 K109	Y101-D111 CarbonylContact C-O 3.59Å; Y101-D111 WeakPolarHBondContact CA-O 3.2Å; Y102-D111 HydrophobicContact CD1-CB 4.3Å; Y102-D111 VanDerWaalsContact CD1-O 3.26Å; Y102-D111 WeakPolarHBondContact CD1-O 2.97Å; Y102-D111 HydrophobicContact CE1-CB 3.63Å; Y102-D111 PolarHBondContact N-O 3.36Å; Y102-D111 PolarHBondContact O-N 2.81Å; N104-D111 HydrophobicContact CB-CB 4.29Å; N104-D111 VanDerWaalsContact CB-OD2 3.31Å; N104-D111 WeakPolarHBondContact CB-OD2 3.43Å; N104-D111 PolarHBondContact ND2-OD2 2.74Å; S107-D111 PolarHBondContact OG-OD2 2.85Å; K109-D111 PolarHBondContact O-N 3.25Å
112	T	98.1	Very high	94.8	Very high	84 Å²	84	61 Å²	61	52%	0.515	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	146.3	175.9	59	0	0	0	0	112.1	V99 K100 Y101	V99-T112 HydrophobicContact CG1-CG2 4.09Å; K100-T112 CarbonylContact O-C 3.58Å; K100-T112 VanDerWaalsContact O-CA 3.25Å; K100-T112 WeakPolarHBondContact O-CA 3.33Å; Y101-T112 HydrophobicContact CD1-CG2 3.86Å; Y101-T112 HydrophobicContact CE1-CG2 3.53Å
113	F	98.3	Very high	94.7	Very high	21 Å²	21	59 Å²	59	9%	0.092	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	168.9	167.7	80.7	-71.5	0	0	0	111.4	A89 D90 V99 K100 Y102 R124	A89-F113 HydrophobicContact CB-CB 4.14Å; A89-F113 HydrophobicContact CB-CD1 4.36Å; A89-F113 HydrophobicContact CB-CD2 4.06Å; A89-F113 HydrophobicContact CB-CG 3.94Å; D90-F113 WeakPolarHBondContact O-CE2 3.42Å; V99-F113 WeakPolarHBondContact CA-O 3.32Å; K100-F113 HydrophobicContact CB-CD1 4.05Å; K100-F113 HydrophobicContact CB-CE1 3.55Å; K100-F113 HydrophobicContact CB-CZ 4.07Å; K100-F113 PolarHBondContact N-O 3.14Å; K100-F113 PolarHBondContact O-N 2.75Å; Y102-F113 HydrophobicContact CD1-CB 3.96Å; Y102-F113 AromaticContact CD1-CD1 3.74Å; Y102-F113 HydrophobicContact CD1-CD1 3.74Å; Y102-F113 HydrophobicContact CD1-CG 4.16Å; Y102-F113 HydrophobicContact CE1-CB 4.17Å; Y102-F113 HydrophobicContact CG-CD1 4.14Å; F113-R124 HydrophobicContact CE1-CB 4.26Å; F113-R124 HydrophobicContact CE1-CG 4.04Å; F113-R124 HydrophobicContact CZ-CB 4Å; F113-R124 HydrophobicContact CZ-CG 3.73Å
114	V	98.5	Very high	94.7	Very high	58 Å²	58	61.1 Å²	61.1	35%	0.352	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.8	175.1	-179.3	0	0	0	0	109.7	S91 H97 F98	S91-V114 WeakPolarHBondContact CB-O 3.4Å; S91-V114 PolarHBondContact OG-O 3.08Å; H97-V114 HydrophobicContact CB-CG1 4.47Å; F98-V114 WeakPolarHBondContact O-CA 3.28Å
115	Y	98.4	Very high	94.8	Very high	26 Å²	26	61 Å²	61	10%	0.102	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.7	172.2	177.5	-124.7	0	0	0	111.1	F98 G117 C118 E119 R124	F98-Y115 HydrophobicContact CD2-CD1 4.33Å; F98-Y115 PolarHBondContact N-O 2.73Å; F98-Y115 VanDerWaalsContact N-O 3.12Å; F98-Y115 PolarHBondContact O-N 3.43Å; Y115-G117 VanDerWaalsContact C-N 3.26Å; Y115-G117 PolarHBondContact O-N 3.35Å; Y115-C118 WeakPolarHBondContact CE2-O 3.21Å; Y115-C118 VanDerWaalsContact OH-CA 3.24Å; Y115-C118 WeakPolarHBondContact OH-CA 3.46Å; Y115-C118 PolarHBondContact OH-N 2.87Å; Y115-C118 PolarHBondContact OH-O 2.74Å; Y115-E119 WeakPolarHBondContact CE2-O 3.49Å; Y115-E119 PolarHBondContact OH-N 2.77Å; Y115-E119 PolarHBondContact OH-O 3.09Å; Y115-R124 VanDerWaalsContact CE2-NH1 3.25Å
116	G	98	Very high	95.1	Very high	5 Å²	5	61.7 Å²	61.7	5%	0.052	33%	0.333	C	S	.	.			trans	-72.8	-13.2	-176.3	0	0	0	0	0	114.5	S91 C94 R95 A96	S91-G116 VanDerWaalsContact O-CA 3.31Å; S91-G116 WeakPolarHBondContact O-CA 3.37Å; S91-G116 PolarHBondContact O-N 3.42Å; C94-G116 CarbonylContact C-O 3.39Å; C94-G116 VanDerWaalsContact C-O 3.26Å; C94-G116 WeakPolarHBondContact CB-O 3.48Å; C94-G116 VanDerWaalsContact O-CA 3.26Å; C94-G116 WeakPolarHBondContact O-CA 3.11Å; R95-G116 PolarHBondContact N-O 3.15Å; A96-G116 WeakPolarHBondContact CA-O 3.33Å; A96-G116 WeakPolarHBondContact CB-O 2.85Å; A96-G116 PolarHBondContact N-O 2.85Å; A96-G116 WeakPolarHBondContact O-CA 3.4Å
117	G	94.9	Very high	95.5	Very high	35 Å²	35	55.1 Å²	55.1	36%	0.361	31%	0.306	S	S	.	.	S	Bend	trans	95.7	4.6	175.3	0	0	0	0	0	115.9	Y115	Y115-G117 VanDerWaalsContact C-N 3.26Å; Y115-G117 PolarHBondContact O-N 3.35Å
118	C	93.3	Very high	95.7	Very high	36 Å²	36	54.5 Å²	54.5	24%	0.243	30%	0.3	C	S	.	.	S	Bend	trans	-151.3	158.4	167.5	72.7	0	0	0	0	110.8	C94 Y115	C94-C118 HydrophobicContact CB-CB 3.85Å; C94-C118 WeakPolarHBondContact CB-SG 3.38Å; C94-C118 WeakPolarHBondContact SG-CB 3.32Å; C94-C118 CovalentContact SG-SG 2.01Å; C94-C118 PolarHBondContact SG-SG 3.41Å; Y115-C118 WeakPolarHBondContact CE2-O 3.21Å; Y115-C118 VanDerWaalsContact OH-CA 3.24Å; Y115-C118 WeakPolarHBondContact OH-CA 3.46Å; Y115-C118 PolarHBondContact OH-N 2.87Å; Y115-C118 PolarHBondContact OH-O 2.74Å
119	E	91.8	Very high	95.9	Very high	140 Å²	140	55.2 Å²	55.2	65%	0.654	30%	0.3	S	S	*	.	S	Bend	trans	52.9	-144.1	-176.7	-54.7	176.5	-162.4	0	0	111.5	P93 Y115 R124	P93-E119 VanDerWaalsContact CD-OE2 3.23Å; P93-E119 WeakPolarHBondContact CD-OE2 3.42Å; P93-E119 HydrophobicContact CG-CB 4.49Å; P93-E119 VanDerWaalsContact CG-CD 3.43Å; P93-E119 HydrophobicContact CG-CG 4.22Å; P93-E119 VanDerWaalsContact CG-OE2 3.27Å; P93-E119 WeakPolarHBondContact CG-OE2 3.4Å; Y115-E119 WeakPolarHBondContact CE2-O 3.49Å; Y115-E119 PolarHBondContact OH-N 2.77Å; Y115-E119 PolarHBondContact OH-O 3.09Å; E119-R124 PolarHBondContact O-NH1 2.89Å
120	G	90.7	Very high	96	Very high	31 Å²	31	53.1 Å²	53.1	32%	0.32	29%	0.292	S	S	.	.			trans	82.6	-172.5	-172	0	0	0	0	0	112.4	D90	D90-G120 WeakPolarHBondContact OD2-CA 3.24Å
121	N	94.2	Very high	96	Very high	28 Å²	28	52.4 Å²	52.4	15%	0.15	29%	0.287	C	S	.	.			trans	-114.5	-175.3	177.6	67.6	29.7	0	0	0	112.2	L87 P88 D90 N123 R124	L87-N121 HydrophobicContact CD1-CB 4.01Å; P88-N121 PolarHBondContact O-ND2 2.96Å; P88-N121 PolarHBondContact O-OD1 2.87Å; D90-N121 HydrophobicContact CB-CB 4.48Å; N121-N123 PolarHBondContact OD1-N 3.49Å; N121-N123 VanDerWaalsContact OD1-N 3.11Å; N121-R124 PolarHBondContact O-NH1 3.42Å; N121-R124 VanDerWaalsContact O-NH1 3.09Å
122	D	94.2	Very high	95.8	Very high	87 Å²	87	54.2 Å²	54.2	47%	0.465	29%	0.294	S	S	.	.	S	Bend	trans	-83.7	-5.6	-173	-68.2	-22.9	0	0	0	114.8	P84 L87 R124	P84-D122 HydrophobicContact CB-CB 4.01Å; P84-D122 HydrophobicContact CG-CB 4Å; L87-D122 HydrophobicContact CD1-CB 4.5Å; D122-R124 PolarHBondContact O-N 2.86Å
123	N	96.6	Very high	95.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	31%	0.305	C	S	.	.			trans	-75.5	62.7	170.8	-160.6	-5.3	0	0	0	110.9	P84 L87 Y102 Y103 N121 F125	P84-N123 WeakPolarHBondContact O-CB 3.29Å; P84-N123 PolarHBondContact O-ND2 3.34Å; L87-N123 HydrophobicContact CB-CB 4.05Å; L87-N123 PolarHBondContact O-ND2 2.77Å; Y102-N123 VanDerWaalsContact CA-OD1 3.27Å; Y102-N123 WeakPolarHBondContact CA-OD1 3.39Å; Y102-N123 WeakPolarHBondContact CB-O 3.4Å; Y102-N123 WeakPolarHBondContact CB-OD1 3.36Å; Y103-N123 PolarHBondContact N-OD1 3.43Å; Y103-N123 PolarHBondContact O-ND2 3.29Å; N121-N123 PolarHBondContact OD1-N 3.49Å; N121-N123 VanDerWaalsContact OD1-N 3.11Å; N123-F125 WeakPolarHBondContact OD1-CE2 3.48Å
124	R	97.3	Very high	95.2	Very high	67 Å²	67	59.6 Å²	59.6	25%	0.253	33%	0.327	S	S	.	.			trans	-153.9	105.2	-171.2	-176.2	176.9	62.3	-124	-2.8	110.5	K100 Y101 F113 Y115 E119 N121 D122	K100-R124 HydrophobicContact CB-CG 3.86Å; K100-R124 HydrophobicContact CD-CG 4.29Å; K100-R124 HydrophobicContact CG-CG 3.82Å; Y101-R124 CarbonylContact O-C 3.58Å; Y101-R124 WeakPolarHBondContact O-CA 3.4Å; F113-R124 HydrophobicContact CE1-CB 4.26Å; F113-R124 HydrophobicContact CE1-CG 4.04Å; F113-R124 HydrophobicContact CZ-CB 4Å; F113-R124 HydrophobicContact CZ-CG 3.73Å; Y115-R124 VanDerWaalsContact CE2-NH1 3.25Å; E119-R124 PolarHBondContact O-NH1 2.89Å; N121-R124 PolarHBondContact O-NH1 3.42Å; N121-R124 VanDerWaalsContact O-NH1 3.09Å; D122-R124 PolarHBondContact O-N 2.86Å
125	F	97.7	Very high	95	Very high	24 Å²	24	57.2 Å²	57.2	11%	0.105	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-115.7	152.4	-177.2	-50.1	-81.7	0	0	0	111.1	P84 Y101 N123 E130 C131 K134 C135	P84-F125 HydrophobicContact CB-CZ 4.46Å; Y101-F125 PolarHBondContact N-O 2.03Å; Y101-F125 PolarHBondContact O-N 2.03Å; N123-F125 WeakPolarHBondContact OD1-CE2 3.48Å; F125-E130 HydrophobicContact CB-CB 4.09Å; F125-E130 HydrophobicContact CD1-CB 4.33Å; F125-C131 HydrophobicContact CB-CB 3.84Å; F125-C131 HydrophobicContact CD2-CB 3.34Å; F125-C131 HydrophobicContact CE2-CB 4.01Å; F125-C131 HydrophobicContact CG-CB 3.64Å; F125-K134 HydrophobicContact CE1-CB 3.79Å; F125-K134 HydrophobicContact CE1-CG 3.78Å; F125-K134 HydrophobicContact CZ-CB 4.05Å; F125-K134 HydrophobicContact CZ-CG 3.9Å; F125-C135 VanDerWaalsContact CZ-SG 3.6Å
126	D	97.5	Very high	94.2	Very high	100 Å²	100	57.8 Å²	57.8	54%	0.535	32%	0.323	S	S	.	.	S	Bend	trans	-80.3	-29.7	-179.8	-75.2	-12	0	0	0	111.6	K100 E130	K100-D126 IonicContact NZ-OD1 3.98Å; K100-D126 PolarHBondContact NZ-OD1 3.26Å; D126-E130 WeakPolarHBondContact CB-OE2 3.4Å; D126-E130 PolarHBondContact N-OE2 3.19Å
127	T	97.1	Very high	92.7	Very high	49 Å²	49	65.4 Å²	65.4	30%	0.301	36%	0.357	S	S	.	.	S	Bend	trans	-129.8	159.1	-178.6	66.2	0	0	0	0	111.7	E129 E130 C131	T127-E129 VanDerWaalsContact C-N 3.26Å; T127-E129 WeakPolarHBondContact CB-OE2 3.14Å; T127-E130 PolarHBondContact N-OE2 3.49Å; T127-E130 WeakPolarHBondContact OG1-CB 3.43Å; T127-E130 VanDerWaalsContact OG1-CG 3.24Å; T127-E130 WeakPolarHBondContact OG1-CG 3.27Å; T127-E130 PolarHBondContact OG1-N 2.96Å; T127-E130 VanDerWaalsContact OG1-N 3.15Å; T127-C131 PolarHBondContact O-N 2.83Å
128	V	95.7	Very high	90.8	Very high	33 Å²	33	72.2 Å²	72.2	20%	0.2	38%	0.379	C	S	.	.	H	α-helix	trans	-66.9	-35.1	174.5	64.8	0	0	0	0	110.2	Y101 C110 E130 C131 E132	Y101-V128 HydrophobicContact CD1-CB 3.82Å; Y101-V128 HydrophobicContact CD1-CG2 4.23Å; Y101-V128 HydrophobicContact CE1-CB 3.64Å; Y101-V128 HydrophobicContact CE1-CG2 4.25Å; Y101-V128 HydrophobicContact CG-CB 4.38Å; C110-V128 HydrophobicContact CB-CG2 3.9Å; V128-E130 PolarHBondContact O-N 3.15Å; V128-C131 PolarHBondContact O-N 2.84Å; V128-E132 HydrophobicContact CG2-CG 4.12Å; V128-E132 WeakPolarHBondContact O-CB 3.32Å; V128-E132 WeakPolarHBondContact O-CG 3.26Å; V128-E132 PolarHBondContact O-N 3.49Å
129	E	94.2	Very high	88.9	Confident	125 Å²	125	77 Å²	77	58%	0.584	40%	0.398	S	S	*	.	H	α-helix	trans	-64.4	-40.3	179.3	-63.5	79.1	-175.3	0	0	112	T127 A133	T127-E129 VanDerWaalsContact C-N 3.26Å; T127-E129 WeakPolarHBondContact CB-OE2 3.14Å; E129-A133 WeakPolarHBondContact O-CB 3.46Å; E129-A133 PolarHBondContact O-N 2.67Å
130	E	95.6	Very high	86.8	Confident	93 Å²	93	74.5 Å²	74.5	44%	0.435	39%	0.394	S	S	.	.	H	α-helix	trans	-63.6	-44.9	173.4	-79	166.3	-168.5	0	0	111.9	F125 D126 T127 V128 K134	F125-E130 HydrophobicContact CB-CB 4.09Å; F125-E130 HydrophobicContact CD1-CB 4.33Å; D126-E130 WeakPolarHBondContact CB-OE2 3.4Å; D126-E130 PolarHBondContact N-OE2 3.19Å; T127-E130 PolarHBondContact N-OE2 3.49Å; T127-E130 WeakPolarHBondContact OG1-CB 3.43Å; T127-E130 VanDerWaalsContact OG1-CG 3.24Å; T127-E130 WeakPolarHBondContact OG1-CG 3.27Å; T127-E130 PolarHBondContact OG1-N 2.96Å; T127-E130 VanDerWaalsContact OG1-N 3.15Å; V128-E130 PolarHBondContact O-N 3.15Å; E130-K134 VanDerWaalsContact O-CB 3.3Å; E130-K134 WeakPolarHBondContact O-CB 3.25Å; E130-K134 PolarHBondContact O-N 3.11Å
131	C	96.1	Very high	84.8	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-62.8	-48	177.9	176.5	0	0	0	0	111.4	C110 F125 T127 V128 K134 C135	C110-C131 HydrophobicContact CB-CB 3.69Å; C110-C131 WeakPolarHBondContact CB-SG 3.35Å; C110-C131 WeakPolarHBondContact SG-CB 3.45Å; C110-C131 CovalentContact SG-SG 2.03Å; C110-C131 PolarHBondContact SG-SG 3.26Å; F125-C131 HydrophobicContact CB-CB 3.84Å; F125-C131 HydrophobicContact CD2-CB 3.34Å; F125-C131 HydrophobicContact CE2-CB 4.01Å; F125-C131 HydrophobicContact CG-CB 3.64Å; T127-C131 PolarHBondContact O-N 2.83Å; V128-C131 PolarHBondContact O-N 2.84Å; C131-K134 PolarHBondContact O-N 3.25Å; C131-C135 VanDerWaalsContact O-CB 3.28Å; C131-C135 WeakPolarHBondContact O-CB 3.31Å; C131-C135 PolarHBondContact O-N 3.36Å
132	E	93.9	Very high	82.8	Confident	97 Å²	97	80.9 Å²	80.9	45%	0.453	42%	0.423	S	S	.	.	H	α-helix	trans	-65.4	-44.6	-180	-72.3	178.6	165.7	0	0	110.6	C110 V128 K134 C135 A136	C110-E132 HydrophobicContact CB-CG 4.12Å; C110-E132 PolarHBondContact SG-N 3.17Å; V128-E132 HydrophobicContact CG2-CG 4.12Å; V128-E132 WeakPolarHBondContact O-CB 3.32Å; V128-E132 WeakPolarHBondContact O-CG 3.26Å; V128-E132 PolarHBondContact O-N 3.49Å; E132-K134 PolarHBondContact O-N 2.77Å; E132-C135 PolarHBondContact O-N 3.34Å; E132-A136 HydrophobicContact CB-CB 4.13Å; E132-A136 HydrophobicContact CG-CB 4.47Å; E132-A136 WeakPolarHBondContact O-CA 2.98Å; E132-A136 WeakPolarHBondContact O-CB 3.15Å; E132-A136 PolarHBondContact O-N 3.3Å
133	A	91.4	Very high	81.8	Confident	90 Å²	90	79.9 Å²	79.9	74%	0.744	42%	0.415	S	S	*	.	H	α-helix	trans	-62.7	-30.7	177.6	0	0	0	0	0	113.1	E129	E129-A133 WeakPolarHBondContact O-CB 3.46Å; E129-A133 PolarHBondContact O-N 2.67Å
134	K	92.3	Very high	81	Confident	127 Å²	127	81.3 Å²	81.3	55%	0.552	43%	0.425	S	S	*	.	H	α-helix	trans	-83.4	-41	178.2	-175.5	66.7	177.2	-178.4	0	112.5	F125 E130 C131 E132	F125-K134 HydrophobicContact CE1-CB 3.79Å; F125-K134 HydrophobicContact CE1-CG 3.78Å; F125-K134 HydrophobicContact CZ-CB 4.05Å; F125-K134 HydrophobicContact CZ-CG 3.9Å; E130-K134 VanDerWaalsContact O-CB 3.3Å; E130-K134 WeakPolarHBondContact O-CB 3.25Å; E130-K134 PolarHBondContact O-N 3.11Å; C131-K134 PolarHBondContact O-N 3.25Å; E132-K134 PolarHBondContact O-N 2.77Å
135	C	93.3	Very high	80.5	Confident	8 Å²	8	78.4 Å²	78.4	5%	0.054	42%	0.415	C	S	.	.	H	α-helix	trans	-124.4	-23.8	-162.2	-63.9	0	0	0	0	116.3	C85 Y103 F125 C131 E132 E137	C85-C135 WeakPolarHBondContact CA-SG 3.12Å; C85-C135 HydrophobicContact CB-CB 3.46Å; C85-C135 VanDerWaalsContact CB-CB 3.46Å; C85-C135 WeakPolarHBondContact CB-SG 3.2Å; C85-C135 WeakPolarHBondContact SG-CA 3.25Å; C85-C135 WeakPolarHBondContact SG-CB 3.28Å; C85-C135 CovalentContact SG-SG 2.02Å; C85-C135 PolarHBondContact SG-SG 3.49Å; Y103-C135 HydrophobicContact CD1-CB 4.21Å; Y103-C135 HydrophobicContact CD2-CB 3.39Å; Y103-C135 HydrophobicContact CE2-CB 4.1Å; Y103-C135 WeakPolarHBondContact CE2-O 3.33Å; Y103-C135 HydrophobicContact CG-CB 3.44Å; Y103-C135 VanDerWaalsContact CG-CB 3.44Å; F125-C135 VanDerWaalsContact CZ-SG 3.6Å; C131-C135 VanDerWaalsContact O-CB 3.28Å; C131-C135 WeakPolarHBondContact O-CB 3.31Å; C131-C135 PolarHBondContact O-N 3.36Å; E132-C135 PolarHBondContact O-N 3.34Å; C135-E137 PolarHBondContact O-N 2.68Å; C135-E137 VanDerWaalsContact O-N 3.08Å
136	A	82.3	Confident	80	Confident	38 Å²	38	82.7 Å²	82.7	31%	0.314	43%	0.433	S	S	.	.	S	Bend	trans	-73	108.6	166.9	0	0	0	0	0	105.5	E132 E138	E132-A136 HydrophobicContact CB-CB 4.13Å; E132-A136 HydrophobicContact CG-CB 4.47Å; E132-A136 WeakPolarHBondContact O-CA 2.98Å; E132-A136 WeakPolarHBondContact O-CB 3.15Å; E132-A136 PolarHBondContact O-N 3.3Å; A136-E138 PolarHBondContact O-N 2.86Å
137	E	65.6	Low	79.6	Confident	165 Å²	165	79.9 Å²	79.9	77%	0.771	42%	0.418	S	S	*	.			trans	-48	123.4	159	-67.3	-169.5	166.3	0	0	106	C135 E139	C135-E137 PolarHBondContact O-N 2.68Å; C135-E137 VanDerWaalsContact O-N 3.08Å; E137-E139 VanDerWaalsContact C-N 3.25Å; E137-E139 PolarHBondContact O-N 2.94Å
138	E	55.4	Low	79.4	Confident	178 Å²	178	82 Å²	82	83%	0.832	43%	0.433	S	S	*	.			trans	-56.4	104	168.3	-72.6	-146.7	173.1	0	0	105.5	A136 P140	A136-E138 PolarHBondContact O-N 2.86Å; E138-P140 WeakPolarHBondContact O-CA 2.98Å; E138-P140 WeakPolarHBondContact O-CD 3.42Å
139	E	52.9	Low	79.4	Confident	138 Å²	138	81.9 Å²	81.9	65%	0.645	44%	0.435	S	S	*	.			trans	-33.9	103.3	177.2	-87.6	-87.5	152.7	0	0	107.6	E137 A141 K142	E137-E139 VanDerWaalsContact C-N 3.25Å; E137-E139 PolarHBondContact O-N 2.94Å; E139-A141 VanDerWaalsContact C-N 3.27Å; E139-A141 CarbonylContact O-C 3.55Å; E139-A141 WeakPolarHBondContact O-CA 3.04Å; E139-A141 PolarHBondContact O-N 3.38Å; E139-K142 PolarHBondContact O-N 3.33Å
140	P	47.9	Very low	79.6	Confident	87 Å²	87	78.8 Å²	78.8	57%	0.565	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-51.7	92.5	-149.7	12	-30.2	0	0	0	110	E138 K142 E143	E138-P140 WeakPolarHBondContact O-CA 2.98Å; E138-P140 WeakPolarHBondContact O-CD 3.42Å; P140-K142 CarbonylContact O-C 3.47Å; P140-K142 VanDerWaalsContact O-CA 3.25Å; P140-K142 WeakPolarHBondContact O-CA 3.3Å; P140-K142 PolarHBondContact O-N 3.43Å; P140-E143 PolarHBondContact O-N 2.72Å
141	A	49.1	Very low	79.7	Confident	60 Å²	60	77.5 Å²	77.5	50%	0.496	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	3.9	59.1	-152.5	0	0	0	0	0	114	E139 E143 P144	E139-A141 VanDerWaalsContact C-N 3.27Å; E139-A141 CarbonylContact O-C 3.55Å; E139-A141 WeakPolarHBondContact O-CA 3.04Å; E139-A141 PolarHBondContact O-N 3.38Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 WeakPolarHBondContact O-CA 2.98Å; A141-E143 PolarHBondContact O-N 3.02Å; A141-P144 WeakPolarHBondContact O-CD 3.38Å; A141-P144 WeakPolarHBondContact O-CG 3.19Å
142	K	52.9	Low	79.7	Confident	132 Å²	132	78.6 Å²	78.6	57%	0.574	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	13.3	69.6	-160.4	-74.4	-174.9	177.2	174.9	0	113.5	E139 P140 P144 L147	E139-K142 PolarHBondContact O-N 3.33Å; P140-K142 CarbonylContact O-C 3.47Å; P140-K142 VanDerWaalsContact O-CA 3.25Å; P140-K142 WeakPolarHBondContact O-CA 3.3Å; P140-K142 PolarHBondContact O-N 3.43Å; K142-P144 WeakPolarHBondContact O-CA 3.37Å; K142-L147 HydrophobicContact CB-CD2 4.45Å; K142-L147 HydrophobicContact CD-CD2 4.43Å
143	E	71.9	Confident	79.9	Confident	66 Å²	66	77.6 Å²	77.6	31%	0.308	44%	0.435	S	S	.	.			trans	-8.5	95.3	-164.4	-76.6	-165.7	158.5	0	0	111.8	P140 A141 C145 K146	P140-E143 PolarHBondContact O-N 2.72Å; A141-E143 VanDerWaalsContact C-N 3.26Å; A141-E143 WeakPolarHBondContact O-CA 2.98Å; A141-E143 PolarHBondContact O-N 3.02Å; E143-C145 CarbonylContact O-C 3.41Å; E143-C145 PolarHBondContact O-N 2.8Å; E143-K146 HydrophobicContact CB-CD 4.18Å; E143-K146 HydrophobicContact CB-CG 4.33Å; E143-K146 WeakPolarHBondContact O-CB 3.17Å; E143-K146 PolarHBondContact O-N 2.71Å; E143-K146 WeakPolarHBondContact OE2-CD 3.2Å; E143-K146 WeakPolarHBondContact OE2-CE 3.26Å; E143-K146 IonicContact OE2-NZ 2.62Å; E143-K146 PolarHBondContact OE2-NZ 3.47Å
144	P	80.9	Confident	80.2	Confident	31 Å²	31	76 Å²	76	20%	0.201	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-53.8	-30	-159.1	-31.8	39.8	0	0	0	112.1	A141 K142 K146 L147 E182 N183	A141-P144 WeakPolarHBondContact O-CD 3.38Å; A141-P144 WeakPolarHBondContact O-CG 3.19Å; K142-P144 WeakPolarHBondContact O-CA 3.37Å; P144-K146 PolarHBondContact O-N 3.35Å; P144-L147 WeakPolarHBondContact O-CB 3.41Å; P144-L147 PolarHBondContact O-N 3.46Å; P144-E182 HydrophobicContact CB-CB 3.79Å; P144-E182 HydrophobicContact CG-CB 4.1Å; P144-N183 WeakPolarHBondContact O-CB 3.38Å; P144-N183 VanDerWaalsContact O-CG 3.29Å; P144-N183 PolarHBondContact O-ND2 3.27Å
145	C	86.3	Confident	80.4	Confident	6 Å²	6	79.8 Å²	79.8	4%	0.041	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-41.7	-32.7	166.7	-45.8	0	0	0	0	117.3	E143 Y163 W165 N183 P192	E143-C145 CarbonylContact O-C 3.41Å; E143-C145 PolarHBondContact O-N 2.8Å; C145-Y163 HydrophobicContact CB-CD1 3.6Å; C145-Y163 HydrophobicContact CB-CE1 4.21Å; C145-Y163 HydrophobicContact CB-CG 4.2Å; C145-Y163 VanDerWaalsContact O-O 3.08Å; C145-W165 HydrophobicContact CB-CE3 4.23Å; C145-W165 HydrophobicContact CB-CZ3 4.41Å; C145-N183 PolarHBondContact O-ND2 2.78Å; C145-P192 HydrophobicContact CB-CG 4.44Å; C145-P192 WeakPolarHBondContact SG-CB 2.99Å; C145-P192 WeakPolarHBondContact SG-CG 2.99Å
146	K	87.2	Confident	80.6	Confident	114 Å²	114	80.8 Å²	80.8	50%	0.496	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-89.1	-13.2	-176.6	-73.4	178.3	172.8	146.9	0	112.4	E143 P144 W165	E143-K146 HydrophobicContact CB-CD 4.18Å; E143-K146 HydrophobicContact CB-CG 4.33Å; E143-K146 WeakPolarHBondContact O-CB 3.17Å; E143-K146 PolarHBondContact O-N 2.71Å; E143-K146 WeakPolarHBondContact OE2-CD 3.2Å; E143-K146 WeakPolarHBondContact OE2-CE 3.26Å; E143-K146 IonicContact OE2-NZ 2.62Å; E143-K146 PolarHBondContact OE2-NZ 3.47Å; P144-K146 PolarHBondContact O-N 3.35Å; K146-W165 HydrophobicContact CD-CE3 4.49Å; K146-W165 HydrophobicContact CD-CH2 4.5Å; K146-W165 HydrophobicContact CD-CZ3 4.45Å; K146-W165 HydrophobicContact CG-CD2 3.71Å; K146-W165 HydrophobicContact CG-CE3 3.53Å; K146-W165 HydrophobicContact CG-CG 4.28Å; K146-W165 HydrophobicContact CG-CH2 4.34Å; K146-W165 HydrophobicContact CG-CZ2 4.48Å; K146-W165 HydrophobicContact CG-CZ3 3.87Å
147	L	90	Very high	81.4	Confident	40 Å²	40	87.4 Å²	87.4	21%	0.209	47%	0.468	C	S	.	.	S	Bend	trans	-73.8	144.3	176.8	-56.6	173.8	0	0	0	109.8	K142 P144 N181 E182 N183	K142-L147 HydrophobicContact CB-CD2 4.45Å; K142-L147 HydrophobicContact CD-CD2 4.43Å; P144-L147 WeakPolarHBondContact O-CB 3.41Å; P144-L147 PolarHBondContact O-N 3.46Å; L147-N181 HydrophobicContact CD1-CB 3.94Å; L147-E182 HydrophobicContact CD1-CB 4.4Å; L147-N183 HydrophobicContact CB-CB 4.11Å; L147-N183 PolarHBondContact O-ND2 3.24Å
148	P	93.3	Very high	82.9	Confident	94 Å²	94	84.5 Å²	84.5	61%	0.61	45%	0.453	S	S	*	.	P	Polyproline II helix	trans	-69.5	157.2	176.7	30.1	-35.6	0	0	0	111.1	D150 N181	P148-D150 PolarHBondContact O-N 3.12Å; P148-D150 VanDerWaalsContact O-N 3.14Å; P148-N181 PolarHBondContact O-ND2 3.21Å; P148-N181 PolarHBondContact O-OD1 3.42Å
149	A	95.1	Very high	84.9	Confident	30 Å²	30	79.8 Å²	79.8	25%	0.248	44%	0.438	C	S	.	.	P	Polyproline II helix	trans	-58.1	118.6	166.1	0	0	0	0	0	110.4	P151 Y162 F173	A149-P151 WeakPolarHBondContact O-CD 3.25Å; A149-Y162 HydrophobicContact CB-CD1 3.63Å; A149-Y162 HydrophobicContact CB-CD2 3.81Å; A149-Y162 HydrophobicContact CB-CE1 3.75Å; A149-Y162 HydrophobicContact CB-CE2 3.95Å; A149-Y162 HydrophobicContact CB-CG 3.66Å; A149-F173 HydrophobicContact CB-CB 4.12Å; A149-F173 HydrophobicContact CB-CD1 4.31Å; A149-F173 HydrophobicContact CB-CD2 3.91Å; A149-F173 HydrophobicContact CB-CE2 4.37Å; A149-F173 HydrophobicContact CB-CG 3.86Å
150	D	97	Very high	86.9	Confident	61 Å²	61	75.7 Å²	75.7	33%	0.326	42%	0.416	S	S	.	.			trans	-112.7	103.6	178.6	-176.7	1.6	0	0	0	111.1	P148 G152 G180 N181	P148-D150 PolarHBondContact O-N 3.12Å; P148-D150 VanDerWaalsContact O-N 3.14Å; D150-G152 PolarHBondContact O-N 3.16Å; D150-G152 WeakPolarHBondContact OD1-CA 3.4Å; D150-G152 PolarHBondContact OD1-N 3.37Å; D150-G180 VanDerWaalsContact OD2-CA 3.29Å; D150-G180 WeakPolarHBondContact OD2-CA 3.31Å; D150-N181 WeakPolarHBondContact CB-ND2 3.34Å
151	P	97.8	Very high	89.2	Confident	65 Å²	65	74.3 Å²	74.3	42%	0.422	40%	0.4	S	S	.	.			trans	-60.6	-21	175.1	-25.8	36	0	0	0	114.4	A149 G176	A149-P151 WeakPolarHBondContact O-CD 3.25Å; P151-G176 VanDerWaalsContact O-CA 3.28Å; P151-G176 WeakPolarHBondContact O-CA 3.41Å; P151-G176 PolarHBondContact O-N 2.83Å
152	G	96.9	Very high	91.3	Very high	24 Å²	24	73.6 Å²	73.6	25%	0.247	39%	0.385	C	S	.	.			trans	68.6	178.7	-173.1	0	0	0	0	0	113.9	D150	D150-G152 PolarHBondContact O-N 3.16Å; D150-G152 WeakPolarHBondContact OD1-CA 3.4Å; D150-G152 PolarHBondContact OD1-N 3.37Å
153	P	97.7	Very high	93.1	Very high	75 Å²	75	67.8 Å²	67.8	49%	0.487	36%	0.36	S	S	.	.	S	Bend	trans	-85.7	-10.4	-174.5	34.4	-36.8	0	0	0	114.3	C178 R179	P153-C178 WeakPolarHBondContact CD-O 3.23Å; P153-R179 HydrophobicContact CG-CB 4.46Å; P153-R179 HydrophobicContact CG-CG 3.98Å
154	C	98.1	Very high	94.1	Very high	57 Å²	57	66.4 Å²	66.4	39%	0.385	36%	0.355	S	S	.	.			trans	-76.7	158.1	-179.9	-76.6	0	0	0	0	112.1	G176 C178	C154-G176 CarbonylContact C-O 3.51Å; C154-G176 WeakPolarHBondContact CB-O 3.21Å; C154-G176 VanDerWaalsContact O-CA 3.27Å; C154-G176 WeakPolarHBondContact O-CA 3.33Å; C154-C178 HydrophobicContact CB-CB 3.89Å; C154-C178 WeakPolarHBondContact CB-SG 2.98Å; C154-C178 WeakPolarHBondContact SG-CB 3.27Å; C154-C178 CovalentContact SG-SG 2.01Å; C154-C178 PolarHBondContact SG-SG 3.14Å
155	K	97.7	Very high	94.4	Very high	206 Å²	206	69.4 Å²	69.4	90%	0.896	36%	0.362	S	S	*	.			trans	-104.7	13.3	-174.1	-61.6	-176.9	-179.9	178.9	0	113.9
156	G	97	Very high	94.5	Very high	29 Å²	29	76.3 Å²	76.3	30%	0.299	40%	0.398	S	S	.	.			trans	-63.7	170	170.2	0	0	0	0	0	111.3	G176	G156-G176 WeakPolarHBondContact CA-O 3.33Å; G156-G176 PolarHBondContact N-O 3.08Å; G156-G176 WeakPolarHBondContact O-CA 3.38Å
157	K	97.9	Very high	94.7	Very high	177 Å²	177	73.2 Å²	73.2	77%	0.77	39%	0.391	S	S	*	.			trans	-134.3	88.8	175.9	-67.2	-172	178.2	-173.3	0	108.2	T174	K157-T174 HydrophobicContact CB-CG2 4.06Å; K157-T174 HydrophobicContact CG-CG2 4.07Å
158	F	97.5	Very high	94.6	Very high	104 Å²	104	76 Å²	76	46%	0.456	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	110.6	178.2	-56.9	-79.6	0	0	0	107.5	R160 Y175	F158-R160 PolarHBondContact O-N 2.98Å; F158-Y175 HydrophobicContact CB-CD1 4.45Å; F158-Y175 WeakPolarHBondContact CD2-O 3.37Å; F158-Y175 PolarHBondContact N-O 3.41Å; F158-Y175 PolarHBondContact O-N 3.21Å
159	P	97.1	Very high	94.3	Very high	79 Å²	79	77.8 Å²	77.8	51%	0.513	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	124.6	169.1	-24.2	35.3	0	0	0	109.3	E172	P159-E172 HydrophobicContact CB-CG 4.42Å
160	R	96.2	Very high	94.1	Very high	52 Å²	52	78 Å²	78	20%	0.196	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	161.9	179.1	-70	-66.7	-178.9	83.9	-16.4	108.9	F158 E172 F173 Y175 N184 Y185 D186	F158-R160 PolarHBondContact O-N 2.98Å; R160-E172 CarbonylContact O-C 3.56Å; R160-E172 VanDerWaalsContact O-CA 3.3Å; R160-E172 WeakPolarHBondContact O-CA 3.39Å; R160-F173 HydrophobicContact CB-CD1 3.93Å; R160-F173 HydrophobicContact CB-CE1 3.41Å; R160-F173 VanDerWaalsContact CB-CE1 3.41Å; R160-F173 HydrophobicContact CB-CZ 3.84Å; R160-F173 PolarHBondContact N-O 3.32Å; R160-F173 WeakPolarHBondContact O-CD1 3.22Å; R160-F173 PolarHBondContact O-N 2.9Å; R160-Y175 HydrophobicContact CG-CD1 4.23Å; R160-Y175 HydrophobicContact CG-CG 4.23Å; R160-N184 WeakPolarHBondContact CB-OD1 3.22Å; R160-N184 VanDerWaalsContact CD-OD1 3.24Å; R160-N184 WeakPolarHBondContact CD-OD1 3.34Å; R160-N184 WeakPolarHBondContact CG-OD1 3.24Å; R160-N184 PolarHBondContact NH1-OD1 2.77Å; R160-Y185 WeakPolarHBondContact CA-O 3.35Å; R160-Y185 WeakPolarHBondContact CD-O 3.46Å; R160-D186 IonicContact CZ-OD1 3.35Å; R160-D186 IonicContact NE-OD1 2.54Å; R160-D186 PolarHBondContact NE-OD1 3.24Å; R160-D186 IonicContact NH2-OD1 2.68Å; R160-D186 PolarHBondContact NH2-OD1 3.39Å
161	Y	95	Very high	93.9	Very high	58 Å²	58	76.6 Å²	76.6	23%	0.227	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	144.1	177.9	-60	-90.2	0	0	0	109.7	A171 E172 Y185 I188	Y161-A171 WeakPolarHBondContact CA-O 3.44Å; Y161-E172 HydrophobicContact CD1-CB 4.32Å; Y161-E172 HydrophobicContact CE1-CB 4.12Å; Y161-E172 HydrophobicContact CE1-CG 4.48Å; Y161-Y185 PolarHBondContact N-O 2.82Å; Y161-Y185 WeakPolarHBondContact O-CD2 3.21Å; Y161-Y185 PolarHBondContact O-N 2.94Å; Y161-I188 HydrophobicContact CD1-CD1 4.14Å; Y161-I188 HydrophobicContact CD1-CG1 3.47Å; Y161-I188 VanDerWaalsContact CD1-CG1 3.47Å; Y161-I188 HydrophobicContact CD2-CG1 4.38Å; Y161-I188 HydrophobicContact CE1-CD1 3.77Å; Y161-I188 HydrophobicContact CE1-CG1 3.49Å; Y161-I188 VanDerWaalsContact CE1-CG1 3.49Å; Y161-I188 HydrophobicContact CE2-CG1 4.42Å; Y161-I188 HydrophobicContact CG-CG1 3.93Å
162	Y	93.4	Very high	93.9	Very high	45 Å²	45	79.3 Å²	79.3	18%	0.176	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	151.3	169.7	81.3	-73.6	0	0	0	108.1	A149 D164 C170 A171 F173 N183	A149-Y162 HydrophobicContact CB-CD1 3.63Å; A149-Y162 HydrophobicContact CB-CD2 3.81Å; A149-Y162 HydrophobicContact CB-CE1 3.75Å; A149-Y162 HydrophobicContact CB-CE2 3.95Å; A149-Y162 HydrophobicContact CB-CG 3.66Å; Y162-D164 HydrophobicContact CE2-CB 3.76Å; Y162-D164 PolarHBondContact O-N 3.46Å; Y162-C170 VanDerWaalsContact O-CA 3.27Å; Y162-C170 WeakPolarHBondContact O-CA 3.19Å; Y162-A171 HydrophobicContact CD1-CB 4.27Å; Y162-A171 VanDerWaalsContact CD1-O 3.24Å; Y162-A171 WeakPolarHBondContact CD1-O 3.42Å; Y162-A171 HydrophobicContact CE1-CB 3.62Å; Y162-A171 PolarHBondContact N-O 2.82Å; Y162-A171 PolarHBondContact O-N 2.95Å; Y162-F173 HydrophobicContact CD1-CB 4.19Å; Y162-F173 AromaticContact CD1-CD1 3.8Å; Y162-F173 HydrophobicContact CD1-CD1 3.8Å; Y162-F173 HydrophobicContact CD1-CG 4.25Å; Y162-F173 HydrophobicContact CE1-CB 4.37Å; Y162-F173 HydrophobicContact CG-CD1 4.35Å; Y162-N183 WeakPolarHBondContact CA-OD1 2.95Å; Y162-N183 WeakPolarHBondContact CB-O 3.24Å; Y162-N183 WeakPolarHBondContact CB-OD1 3.46Å
163	Y	91.8	Very high	93.8	Very high	11 Å²	11	79.2 Å²	79.2	4%	0.043	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	117.7	170.2	-175.6	-95.4	0	0	0	109.1	C145 W165 K168 C170 N183	C145-Y163 HydrophobicContact CB-CD1 3.6Å; C145-Y163 HydrophobicContact CB-CE1 4.21Å; C145-Y163 HydrophobicContact CB-CG 4.2Å; C145-Y163 VanDerWaalsContact O-O 3.08Å; Y163-W165 HydrophobicContact CD1-CE3 4.3Å; Y163-W165 AromaticContact CE1-CE3 3.75Å; Y163-W165 HydrophobicContact CE1-CE3 3.75Å; Y163-W165 HydrophobicContact CE1-CZ3 4.32Å; Y163-W165 PolarHBondContact O-N 2.8Å; Y163-K168 WeakPolarHBondContact OH-CD 3.17Å; Y163-C170 VanDerWaalsContact CA-SG 3.57Å; Y163-N183 PolarHBondContact N-OD1 3.25Å; Y163-N183 PolarHBondContact O-ND2 3.35Å
164	D	91.7	Very high	93.8	Very high	37 Å²	37	79.4 Å²	79.4	20%	0.198	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	109.3	172.9	175.7	6	0	0	0	109.2	Y162 D166 S167 K168 Q169	Y162-D164 HydrophobicContact CE2-CB 3.76Å; Y162-D164 PolarHBondContact O-N 3.46Å; D164-D166 VanDerWaalsContact C-N 3.26Å; D164-D166 PolarHBondContact O-N 3.06Å; D164-D166 PolarHBondContact OD1-N 2.86Å; D164-S167 WeakPolarHBondContact CB-OG 3.48Å; D164-S167 WeakPolarHBondContact OD2-CB 3.35Å; D164-S167 PolarHBondContact OD2-OG 2.74Å; D164-K168 WeakPolarHBondContact O-CA 3.19Å; D164-K168 PolarHBondContact O-N 2.99Å; D164-Q169 WeakPolarHBondContact CB-O 3.47Å; D164-Q169 PolarHBondContact N-O 2.98Å; D164-Q169 PolarHBondContact O-N 2.97Å
165	W	86.7	Confident	93.8	Very high	94 Å²	94	78 Å²	78	36%	0.356	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-29.8	-178	-173.6	-94.7	0	0	0	113.6	C145 K146 Y163 K168	C145-W165 HydrophobicContact CB-CE3 4.23Å; C145-W165 HydrophobicContact CB-CZ3 4.41Å; K146-W165 HydrophobicContact CD-CE3 4.49Å; K146-W165 HydrophobicContact CD-CH2 4.5Å; K146-W165 HydrophobicContact CD-CZ3 4.45Å; K146-W165 HydrophobicContact CG-CD2 3.71Å; K146-W165 HydrophobicContact CG-CE3 3.53Å; K146-W165 HydrophobicContact CG-CG 4.28Å; K146-W165 HydrophobicContact CG-CH2 4.34Å; K146-W165 HydrophobicContact CG-CZ2 4.48Å; K146-W165 HydrophobicContact CG-CZ3 3.87Å; Y163-W165 HydrophobicContact CD1-CE3 4.3Å; Y163-W165 AromaticContact CE1-CE3 3.75Å; Y163-W165 HydrophobicContact CE1-CE3 3.75Å; Y163-W165 HydrophobicContact CE1-CZ3 4.32Å; Y163-W165 PolarHBondContact O-N 2.8Å; W165-K168 VanDerWaalsContact CD2-NZ 3.26Å; W165-K168 VanDerWaalsContact O-CD 3.28Å; W165-K168 WeakPolarHBondContact O-CD 3.25Å; W165-K168 WeakPolarHBondContact O-CE 3.47Å; W165-K168 PolarHBondContact O-NZ 2.75Å
166	D	89.1	Confident	93.9	Very high	150 Å²	150	68.4 Å²	68.4	80%	0.802	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-41.7	-176.8	-70.1	-34.8	0	0	0	111	D164	D164-D166 VanDerWaalsContact C-N 3.26Å; D164-D166 PolarHBondContact O-N 3.06Å; D164-D166 PolarHBondContact OD1-N 2.86Å
167	S	90.6	Very high	93.8	Very high	49 Å²	49	68.7 Å²	68.7	34%	0.343	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-9.8	178.4	66.3	0	0	0	0	114.4	D164 Q169	D164-S167 WeakPolarHBondContact CB-OG 3.48Å; D164-S167 WeakPolarHBondContact OD2-CB 3.35Å; D164-S167 PolarHBondContact OD2-OG 2.74Å; S167-Q169 PolarHBondContact O-N 3.06Å; S167-Q169 PolarHBondContact O-NE2 3.09Å
168	K	87.9	Confident	93.8	Very high	100 Å²	100	62 Å²	62	44%	0.435	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	36	-175.1	-54.8	-62	179.6	-156.2	0	112.6	Y163 D164 W165	Y163-K168 WeakPolarHBondContact OH-CD 3.17Å; D164-K168 WeakPolarHBondContact O-CA 3.19Å; D164-K168 PolarHBondContact O-N 2.99Å; W165-K168 VanDerWaalsContact CD2-NZ 3.26Å; W165-K168 VanDerWaalsContact O-CD 3.28Å; W165-K168 WeakPolarHBondContact O-CD 3.25Å; W165-K168 WeakPolarHBondContact O-CE 3.47Å; W165-K168 PolarHBondContact O-NZ 2.75Å
169	Q	88.8	Confident	93.7	Very high	131 Å²	131	66.7 Å²	66.7	61%	0.612	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.5	153.1	-176.2	-72.8	172.6	53.9	0	0	110	D164 S167	D164-Q169 WeakPolarHBondContact CB-O 3.47Å; D164-Q169 PolarHBondContact N-O 2.98Å; D164-Q169 PolarHBondContact O-N 2.97Å; S167-Q169 PolarHBondContact O-N 3.06Å; S167-Q169 PolarHBondContact O-NE2 3.09Å
170	C	91.2	Very high	93.5	Very high	34 Å²	34	64.1 Å²	64.1	23%	0.23	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132	167.8	-78.1	0	0	0	0	111.5	Y162 Y163 C193	Y162-C170 VanDerWaalsContact O-CA 3.27Å; Y162-C170 WeakPolarHBondContact O-CA 3.19Å; Y163-C170 VanDerWaalsContact CA-SG 3.57Å; C170-C193 HydrophobicContact CB-CB 3.8Å; C170-C193 WeakPolarHBondContact CB-SG 3.36Å; C170-C193 WeakPolarHBondContact SG-CA 3.17Å; C170-C193 WeakPolarHBondContact SG-CB 3.43Å; C170-C193 CovalentContact SG-SG 2.01Å; C170-C193 PolarHBondContact SG-SG 2.87Å
171	A	92.9	Very high	93.3	Very high	32 Å²	32	63.6 Å²	63.6	26%	0.264	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	146.3	178.8	0	0	0	0	0	110	Y161 Y162	Y161-A171 WeakPolarHBondContact CA-O 3.44Å; Y162-A171 HydrophobicContact CD1-CB 4.27Å; Y162-A171 VanDerWaalsContact CD1-O 3.24Å; Y162-A171 WeakPolarHBondContact CD1-O 3.42Å; Y162-A171 HydrophobicContact CE1-CB 3.62Å; Y162-A171 PolarHBondContact N-O 2.82Å; Y162-A171 PolarHBondContact O-N 2.95Å
172	E	95.8	Very high	93.1	Very high	121 Å²	121	66.7 Å²	66.7	57%	0.565	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	139.1	172.9	-171.4	-171.9	147.2	0	0	109.9	P159 R160 Y161	P159-E172 HydrophobicContact CB-CG 4.42Å; R160-E172 CarbonylContact O-C 3.56Å; R160-E172 VanDerWaalsContact O-CA 3.3Å; R160-E172 WeakPolarHBondContact O-CA 3.39Å; Y161-E172 HydrophobicContact CD1-CB 4.32Å; Y161-E172 HydrophobicContact CE1-CB 4.12Å; Y161-E172 HydrophobicContact CE1-CG 4.48Å
173	F	96.4	Very high	93.1	Very high	22 Å²	22	64.5 Å²	64.5	10%	0.096	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	160.8	168.5	79.8	-71.3	0	0	0	111	A149 R160 Y162 Y175 N184	A149-F173 HydrophobicContact CB-CB 4.12Å; A149-F173 HydrophobicContact CB-CD1 4.31Å; A149-F173 HydrophobicContact CB-CD2 3.91Å; A149-F173 HydrophobicContact CB-CE2 4.37Å; A149-F173 HydrophobicContact CB-CG 3.86Å; R160-F173 HydrophobicContact CB-CD1 3.93Å; R160-F173 HydrophobicContact CB-CE1 3.41Å; R160-F173 VanDerWaalsContact CB-CE1 3.41Å; R160-F173 HydrophobicContact CB-CZ 3.84Å; R160-F173 PolarHBondContact N-O 3.32Å; R160-F173 WeakPolarHBondContact O-CD1 3.22Å; R160-F173 PolarHBondContact O-N 2.9Å; Y162-F173 HydrophobicContact CD1-CB 4.19Å; Y162-F173 AromaticContact CD1-CD1 3.8Å; Y162-F173 HydrophobicContact CD1-CD1 3.8Å; Y162-F173 HydrophobicContact CD1-CG 4.25Å; Y162-F173 HydrophobicContact CE1-CB 4.37Å; Y162-F173 HydrophobicContact CG-CD1 4.35Å; F173-Y175 HydrophobicContact CE2-CD2 4.39Å; F173-N184 HydrophobicContact CZ-CB 4.12Å
174	T	98	Very high	93.2	Very high	79 Å²	79	65.3 Å²	65.3	49%	0.485	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	107.6	175.8	-59.1	0	0	0	0	110.1	K157	K157-T174 HydrophobicContact CB-CG2 4.06Å; K157-T174 HydrophobicContact CG-CG2 4.07Å
175	Y	98	Very high	93.3	Very high	27 Å²	27	65.1 Å²	65.1	11%	0.106	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.3	172.6	178.3	-123.1	0	0	0	111.2	F158 R160 F173 G177 C178 R179 N184	F158-Y175 HydrophobicContact CB-CD1 4.45Å; F158-Y175 WeakPolarHBondContact CD2-O 3.37Å; F158-Y175 PolarHBondContact N-O 3.41Å; F158-Y175 PolarHBondContact O-N 3.21Å; R160-Y175 HydrophobicContact CG-CD1 4.23Å; R160-Y175 HydrophobicContact CG-CG 4.23Å; F173-Y175 HydrophobicContact CE2-CD2 4.39Å; Y175-G177 VanDerWaalsContact C-N 3.29Å; Y175-G177 PolarHBondContact O-N 3.18Å; Y175-C178 VanDerWaalsContact OH-CA 3.24Å; Y175-C178 WeakPolarHBondContact OH-CA 3.4Å; Y175-C178 PolarHBondContact OH-N 2.87Å; Y175-R179 VanDerWaalsContact CE2-O 3.31Å; Y175-R179 WeakPolarHBondContact CE2-O 3.2Å; Y175-R179 PolarHBondContact OH-N 2.01Å; Y175-R179 PolarHBondContact OH-O 3.28Å; Y175-N184 VanDerWaalsContact CD2-ND2 3.29Å; Y175-N184 WeakPolarHBondContact CD2-ND2 3.49Å; Y175-N184 WeakPolarHBondContact CE2-ND2 3.42Å
176	G	98	Very high	93.6	Very high	5 Å²	5	65.8 Å²	65.8	5%	0.052	35%	0.347	C	S	.	.			trans	-74	-15.3	-177.7	0	0	0	0	0	114.5	P151 C154 G156	P151-G176 VanDerWaalsContact O-CA 3.28Å; P151-G176 WeakPolarHBondContact O-CA 3.41Å; P151-G176 PolarHBondContact O-N 2.83Å; C154-G176 CarbonylContact C-O 3.51Å; C154-G176 WeakPolarHBondContact CB-O 3.21Å; C154-G176 VanDerWaalsContact O-CA 3.27Å; C154-G176 WeakPolarHBondContact O-CA 3.33Å; G156-G176 WeakPolarHBondContact CA-O 3.33Å; G156-G176 PolarHBondContact N-O 3.08Å; G156-G176 WeakPolarHBondContact O-CA 3.38Å
177	G	96.8	Very high	93.7	Very high	36 Å²	36	60.5 Å²	60.5	37%	0.371	32%	0.321	S	S	.	.	S	Bend	trans	96.1	5.9	177.1	0	0	0	0	0	115.7	Y175	Y175-G177 VanDerWaalsContact C-N 3.29Å; Y175-G177 PolarHBondContact O-N 3.18Å
178	C	97.2	Very high	93.6	Very high	37 Å²	37	62 Å²	62	25%	0.25	33%	0.325	C	S	.	.	S	Bend	trans	-153.8	155.3	169.2	74.2	0	0	0	0	111.8	P153 C154 Y175	P153-C178 WeakPolarHBondContact CD-O 3.23Å; C154-C178 HydrophobicContact CB-CB 3.89Å; C154-C178 WeakPolarHBondContact CB-SG 2.98Å; C154-C178 WeakPolarHBondContact SG-CB 3.27Å; C154-C178 CovalentContact SG-SG 2.01Å; C154-C178 PolarHBondContact SG-SG 3.14Å; Y175-C178 VanDerWaalsContact OH-CA 3.24Å; Y175-C178 WeakPolarHBondContact OH-CA 3.4Å; Y175-C178 PolarHBondContact OH-N 2.87Å
179	R	94.6	Very high	93.4	Very high	201 Å²	201	60.2 Å²	60.2	76%	0.758	33%	0.328	S	S	*	.			trans	56.2	-140.5	-171.1	-50.3	-166.9	-177.8	162.2	-5.3	111.1	P153 Y175	P153-R179 HydrophobicContact CG-CB 4.46Å; P153-R179 HydrophobicContact CG-CG 3.98Å; Y175-R179 VanDerWaalsContact CE2-O 3.31Å; Y175-R179 WeakPolarHBondContact CE2-O 3.2Å; Y175-R179 PolarHBondContact OH-N 2.01Å; Y175-R179 PolarHBondContact OH-O 3.28Å
180	G	92.6	Very high	92.8	Very high	26 Å²	26	58.8 Å²	58.8	27%	0.268	33%	0.325	S	S	.	.			trans	93.1	-167.4	-170.5	0	0	0	0	0	111.6	D150	D150-G180 VanDerWaalsContact OD2-CA 3.29Å; D150-G180 WeakPolarHBondContact OD2-CA 3.31Å
181	N	93	Very high	91.8	Very high	41 Å²	41	58 Å²	58	22%	0.219	32%	0.323	C	S	.	.			trans	-130.5	-177.3	172.4	64.6	47.1	0	0	0	110.5	L147 P148 D150 N183 N184	L147-N181 HydrophobicContact CD1-CB 3.94Å; P148-N181 PolarHBondContact O-ND2 3.21Å; P148-N181 PolarHBondContact O-OD1 3.42Å; D150-N181 WeakPolarHBondContact CB-ND2 3.34Å; N181-N183 VanDerWaalsContact C-N 3.26Å; N181-N183 PolarHBondContact O-N 3.36Å; N181-N183 WeakPolarHBondContact OD1-CB 2.99Å; N181-N183 PolarHBondContact OD1-N 2.61Å; N181-N184 WeakPolarHBondContact O-CB 3.26Å
182	E	91.5	Very high	90.7	Very high	122 Å²	122	57.6 Å²	57.6	57%	0.57	32%	0.318	S	S	*	.	S	Bend	trans	-73.1	-11.2	-172.5	-65.6	170.7	124.7	0	0	114.3	P144 L147 N184 Y185	P144-E182 HydrophobicContact CB-CB 3.79Å; P144-E182 HydrophobicContact CG-CB 4.1Å; L147-E182 HydrophobicContact CD1-CB 4.4Å; E182-N184 PolarHBondContact O-N 2.98Å; E182-Y185 PolarHBondContact O-OH 2.83Å
183	N	92.2	Very high	89.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.297	C	S	.	.			trans	-82	61.6	173	-155	-4	0	0	0	111.1	P144 C145 L147 Y162 Y163 N181 Y185	P144-N183 WeakPolarHBondContact O-CB 3.38Å; P144-N183 VanDerWaalsContact O-CG 3.29Å; P144-N183 PolarHBondContact O-ND2 3.27Å; C145-N183 PolarHBondContact O-ND2 2.78Å; L147-N183 HydrophobicContact CB-CB 4.11Å; L147-N183 PolarHBondContact O-ND2 3.24Å; Y162-N183 WeakPolarHBondContact CA-OD1 2.95Å; Y162-N183 WeakPolarHBondContact CB-O 3.24Å; Y162-N183 WeakPolarHBondContact CB-OD1 3.46Å; Y163-N183 PolarHBondContact N-OD1 3.25Å; Y163-N183 PolarHBondContact O-ND2 3.35Å; N181-N183 VanDerWaalsContact C-N 3.26Å; N181-N183 PolarHBondContact O-N 3.36Å; N181-N183 WeakPolarHBondContact OD1-CB 2.99Å; N181-N183 PolarHBondContact OD1-N 2.61Å; N183-Y185 VanDerWaalsContact OD1-CE2 3.32Å; N183-Y185 WeakPolarHBondContact OD1-CE2 3.49Å
184	N	94.5	Very high	87.7	Confident	28 Å²	28	58.4 Å²	58.4	15%	0.15	33%	0.326	C	S	.	.			trans	-151.5	94.1	-170.6	-174.6	-16.7	0	0	0	110.9	R160 F173 Y175 N181 E182	R160-N184 WeakPolarHBondContact CB-OD1 3.22Å; R160-N184 VanDerWaalsContact CD-OD1 3.24Å; R160-N184 WeakPolarHBondContact CD-OD1 3.34Å; R160-N184 WeakPolarHBondContact CG-OD1 3.24Å; R160-N184 PolarHBondContact NH1-OD1 2.77Å; F173-N184 HydrophobicContact CZ-CB 4.12Å; Y175-N184 VanDerWaalsContact CD2-ND2 3.29Å; Y175-N184 WeakPolarHBondContact CD2-ND2 3.49Å; Y175-N184 WeakPolarHBondContact CE2-ND2 3.42Å; N181-N184 WeakPolarHBondContact O-CB 3.26Å; E182-N184 PolarHBondContact O-N 2.98Å
185	Y	93.8	Very high	86	Confident	32 Å²	32	58.2 Å²	58.2	13%	0.125	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-110.6	143.5	-173.1	-50.1	-72.1	0	0	0	111.5	R160 Y161 E182 N183 S187 D190 G191 P192	R160-Y185 WeakPolarHBondContact CA-O 3.35Å; R160-Y185 WeakPolarHBondContact CD-O 3.46Å; Y161-Y185 PolarHBondContact N-O 2.82Å; Y161-Y185 WeakPolarHBondContact O-CD2 3.21Å; Y161-Y185 PolarHBondContact O-N 2.94Å; E182-Y185 PolarHBondContact O-OH 2.83Å; N183-Y185 VanDerWaalsContact OD1-CE2 3.32Å; N183-Y185 WeakPolarHBondContact OD1-CE2 3.49Å; Y185-S187 VanDerWaalsContact C-N 3.34Å; Y185-D190 VanDerWaalsContact CD1-O 3.31Å; Y185-D190 WeakPolarHBondContact CD1-O 3.48Å; Y185-G191 VanDerWaalsContact CD1-CA 3.43Å; Y185-P192 HydrophobicContact CE2-CG 4.32Å; Y185-P192 WeakPolarHBondContact OH-CD 2.97Å
186	D	93.2	Very high	83.8	Confident	108 Å²	108	66.1 Å²	66.1	58%	0.578	36%	0.363	S	S	*	.	S	Bend	trans	-71	-31.1	178.9	-77.3	-41	0	0	0	112	R160	R160-D186 IonicContact CZ-OD1 3.35Å; R160-D186 IonicContact NE-OD1 2.54Å; R160-D186 PolarHBondContact NE-OD1 3.24Å; R160-D186 IonicContact NH2-OD1 2.68Å; R160-D186 PolarHBondContact NH2-OD1 3.39Å
187	S	91.2	Very high	83.1	Confident	39 Å²	39	69.2 Å²	69.2	27%	0.273	38%	0.378	S	S	.	.	S	Bend	trans	-140.6	166	173.6	81.2	0	0	0	0	112.2	Y185 A189 D190	Y185-S187 VanDerWaalsContact C-N 3.34Å; S187-A189 PolarHBondContact O-N 3.39Å; S187-A189 VanDerWaalsContact O-N 3.15Å; S187-A189 PolarHBondContact OG-N 3.24Å; S187-D190 VanDerWaalsContact CB-OD2 3.23Å; S187-D190 WeakPolarHBondContact CB-OD2 3.42Å; S187-D190 PolarHBondContact N-OD2 2.75Å; S187-D190 PolarHBondContact O-N 2.01Å; S187-D190 VanDerWaalsContact O-N 3.14Å; S187-D190 PolarHBondContact OG-OD2 3.39Å
188	I	87.6	Confident	82.4	Confident	82 Å²	82	70.9 Å²	70.9	42%	0.421	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-21.4	172.7	-59.6	173.2	0	0	0	111.4	Y161 C193 M194	Y161-I188 HydrophobicContact CD1-CD1 4.14Å; Y161-I188 HydrophobicContact CD1-CG1 3.47Å; Y161-I188 VanDerWaalsContact CD1-CG1 3.47Å; Y161-I188 HydrophobicContact CD2-CG1 4.38Å; Y161-I188 HydrophobicContact CE1-CD1 3.77Å; Y161-I188 HydrophobicContact CE1-CG1 3.49Å; Y161-I188 VanDerWaalsContact CE1-CG1 3.49Å; Y161-I188 HydrophobicContact CE2-CG1 4.42Å; Y161-I188 HydrophobicContact CG-CG1 3.93Å; I188-C193 HydrophobicContact CG2-CB 4.07Å; I188-C193 WeakPolarHBondContact O-CB 3.21Å; I188-M194 WeakPolarHBondContact O-CG 3.38Å
189	A	83.7	Confident	81.6	Confident	61 Å²	61	72.8 Å²	72.8	50%	0.504	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-17.1	179.5	0	0	0	0	0	113.9	S187	S187-A189 PolarHBondContact O-N 3.39Å; S187-A189 VanDerWaalsContact O-N 3.15Å; S187-A189 PolarHBondContact OG-N 3.24Å
190	D	77.1	Confident	80.8	Confident	101 Å²	101	65.2 Å²	65.2	54%	0.54	36%	0.364	S	S	.	.	S	Bend	trans	-93.5	3.5	-167.3	-59.2	-42.7	0	0	0	113.9	Y185 S187	Y185-D190 VanDerWaalsContact CD1-O 3.31Å; Y185-D190 WeakPolarHBondContact CD1-O 3.48Å; S187-D190 VanDerWaalsContact CB-OD2 3.23Å; S187-D190 WeakPolarHBondContact CB-OD2 3.42Å; S187-D190 PolarHBondContact N-OD2 2.75Å; S187-D190 PolarHBondContact O-N 2.01Å; S187-D190 VanDerWaalsContact O-N 3.14Å; S187-D190 PolarHBondContact OG-OD2 3.39Å
191	G	69.2	Low	80.1	Confident	18 Å²	18	67.7 Å²	67.7	19%	0.186	37%	0.37	C	S	.	.	S	Bend	trans	-133.1	-176.2	-179.3	0	0	0	0	0	113.2	Y185 C193	Y185-G191 VanDerWaalsContact CD1-CA 3.43Å; G191-C193 PolarHBondContact O-N 2.8Å
192	P	69.8	Low	79.2	Confident	24 Å²	24	69.5 Å²	69.5	16%	0.156	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-62.7	-2.7	171.8	26.5	-29.1	0	0	0	112.6	C145 Y185 M194 A195 Y196	C145-P192 HydrophobicContact CB-CG 4.44Å; C145-P192 WeakPolarHBondContact SG-CB 2.99Å; C145-P192 WeakPolarHBondContact SG-CG 2.99Å; Y185-P192 HydrophobicContact CE2-CG 4.32Å; Y185-P192 WeakPolarHBondContact OH-CD 2.97Å; P192-M194 PolarHBondContact O-N 3.48Å; P192-A195 PolarHBondContact O-N 3.41Å; P192-Y196 HydrophobicContact CB-CD2 4.25Å; P192-Y196 HydrophobicContact CB-CE2 4.12Å
193	C	65.8	Low	78.3	Confident	20 Å²	20	65.7 Å²	65.7	14%	0.135	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-46.4	-20.7	168	-68.6	0	0	0	0	116.2	C170 I188 G191	C170-C193 HydrophobicContact CB-CB 3.8Å; C170-C193 WeakPolarHBondContact CB-SG 3.36Å; C170-C193 WeakPolarHBondContact SG-CA 3.17Å; C170-C193 WeakPolarHBondContact SG-CB 3.43Å; C170-C193 CovalentContact SG-SG 2.01Å; C170-C193 PolarHBondContact SG-SG 2.87Å; I188-C193 HydrophobicContact CG2-CB 4.07Å; I188-C193 WeakPolarHBondContact O-CB 3.21Å; G191-C193 PolarHBondContact O-N 2.8Å
194	M	63.8	Low	77.3	Confident	140 Å²	140	70.8 Å²	70.8	69%	0.69	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-112.5	-2	175.1	-61	-122.7	-63.9	0	0	113.9	I188 P192	I188-M194 WeakPolarHBondContact O-CG 3.38Å; P192-M194 PolarHBondContact O-N 3.48Å
195	A	61.6	Low	75.8	Confident	75 Å²	75	74.3 Å²	74.3	62%	0.62	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	1.5	-165.5	0	0	0	0	0	114.8	P192	P192-A195 PolarHBondContact O-N 3.41Å
196	Y	53.1	Low	74.2	Confident	192 Å²	192	78.2 Å²	78.2	75%	0.753	44%	0.441	S	S	*	.			trans	-133.9	0	174.7	-66.7	-77.5	0	0	0	110.2	P192	P192-Y196 HydrophobicContact CB-CD2 4.25Å; P192-Y196 HydrophobicContact CB-CE2 4.12Å

Retrieved 196 of 196 residues in 241.6 ms (Link to these results)

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