A0A5K4EZW1_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 200 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	52.3	Low	51.4	Low	248 Å²	248	147 Å²	147	100%	1.222	81%	0.809	S	S	*	*				0	130.8	0	-72.5	80.3	171.5	0	0	108.4
2	G	57.8	Low	50.6	Low	75 Å²	75	145.3 Å²	145.3	77%	0.773	81%	0.81	S	S	*	*			trans	112.8	65.4	163.8	0	0	0	0	0	118
3	N	46.5	Very low	50.3	Low	147 Å²	147	150.8 Å²	150.8	79%	0.786	81%	0.813	S	S	*	*			trans	-104.3	128.4	153.4	-93.2	49.3	0	0	0	107.8
4	C	71.1	Confident	49.8	Very low	140 Å²	140	150.4 Å²	150.4	95%	0.946	81%	0.809	S	S	*	*			trans	-101.4	119	168.7	-74.7	0	0	0	0	109.6
5	F	53.8	Low	49.1	Very low	195 Å²	195	151.9 Å²	151.9	86%	0.855	82%	0.815	S	S	*	*			trans	-100	157	173.6	-88.3	-91.1	0	0	0	110.9
6	G	50.5	Low	48.5	Very low	64 Å²	64	150 Å²	150	66%	0.66	81%	0.805	S	S	*	*			trans	108.3	139.7	152.9	0	0	0	0	0	114.1
7	F	49.2	Very low	48	Very low	178 Å²	178	151.2 Å²	151.2	78%	0.781	80%	0.804	S	S	*	*			cis	-170.3	142.7	19.2	-136.6	-112.8	0	0	0	108.7
8	R	48.4	Very low	47.7	Very low	213 Å²	213	153.4 Å²	153.4	80%	0.804	81%	0.809	S	S	*	*			trans	48	154.9	140	-81.4	-165.3	178.9	179.6	-9.1	121.5
9	S	49.7	Very low	47.5	Very low	80 Å²	80	151.5 Å²	151.5	56%	0.559	80%	0.804	S	S	*	*			cis	-177.7	137.8	-6.1	44.1	0	0	0	0	107.2
10	E	43.5	Very low	47.4	Very low	184 Å²	184	155.3 Å²	155.3	86%	0.86	81%	0.808	S	S	*	*			trans	51.3	121.9	133.5	-54.8	178.4	119.8	0	0	121.6
11	S	42.5	Very low	47.1	Very low	93 Å²	93	155.6 Å²	155.6	65%	0.65	81%	0.806	S	S	*	*				-175.8	118.2	123.2	176.8	0	0	0	0	111.5
12	P	42	Very low	46.5	Very low	126 Å²	126	149.6 Å²	149.6	82%	0.818	78%	0.783	S	S	*	*			trans	-98.6	123.8	168.2	32.9	-22.3	0	0	0	111
13	Y	46.3	Very low	46.1	Very low	218 Å²	218	154.6 Å²	154.6	86%	0.855	79%	0.787	S	S	*	*			trans	-113.8	113.6	168.4	-99.3	-87.5	0	0	0	109.9
14	L	43.3	Very low	46.1	Very low	144 Å²	144	154.8 Å²	154.8	75%	0.754	79%	0.788	S	S	*	*			trans	-62.3	145	160.2	-71.9	179.6	0	0	0	110.6
15	L	40.2	Very low	45	Very low	173 Å²	173	155.8 Å²	155.8	91%	0.906	78%	0.784	S	S	*	*				-160.2	145.1	121.1	-132.1	80.3	0	0	0	110.9
16	D	39.6	Very low	45	Very low	122 Å²	122	154.8 Å²	154.8	65%	0.652	79%	0.786	S	S	*	*			trans	-75.4	148.9	-162.5	-68.4	-63.3	0	0	0	115.1
17	Q	39.8	Very low	45	Very low	170 Å²	170	159.6 Å²	159.6	79%	0.794	80%	0.797	S	S	*	*				65.3	106.7	124.5	-164	170.5	5.6	0	0	118.7
18	E	41.5	Very low	45.1	Very low	191 Å²	191	158.1 Å²	158.1	89%	0.893	79%	0.792	S	S	*	*			trans	-151.1	111.7	138.5	-107.3	165.9	-158.2	0	0	109.4
19	V	45.4	Very low	45.2	Very low	117 Å²	117	154.7 Å²	154.7	71%	0.709	79%	0.789	S	S	*	*			trans	-79.6	119.8	169.6	171.3	0	0	0	0	107
20	Y	44.5	Very low	45.1	Very low	227 Å²	227	156.5 Å²	156.5	89%	0.89	80%	0.799	S	S	*	*			trans	-140.8	125.1	150.9	-99.5	-80.6	0	0	0	109.7
21	E	41.9	Very low	45.5	Very low	163 Å²	163	157.3 Å²	157.3	76%	0.762	79%	0.794	S	S	*	*			trans	-67.1	142.1	-173.8	-84.5	164.4	129.5	0	0	114.2
22	T	39.9	Very low	46.2	Very low	121 Å²	121	157.6 Å²	157.6	74%	0.742	79%	0.792	S	S	*	*			trans	60.3	112.8	140	62.5	0	0	0	0	119.2
23	Q	47.8	Very low	46.8	Very low	181 Å²	181	158.3 Å²	158.3	85%	0.846	79%	0.788	S	S	*	*				-154.2	134.1	128.6	-124.7	156.6	-52.2	0	0	112
24	D	46.9	Very low	47.6	Very low	151 Å²	151	155.1 Å²	155.1	81%	0.807	78%	0.781	S	S	*	*			trans	-8.8	111.9	166.4	-65.5	-71.8	0	0	0	117.2
25	D	48.1	Very low	48.3	Very low	161 Å²	161	156.5 Å²	156.5	86%	0.861	78%	0.784	S	S	*	*			trans	-132.8	118.9	154.1	-85.9	-50.3	0	0	0	109.1	D27	D25-D27 PolarHBondContact O-N 3.41Å
26	L	53.3	Low	49	Very low	173 Å²	173	151.4 Å²	151.4	91%	0.906	76%	0.76	S	S	*	*			trans	-65.3	119.9	179.3	-66.3	160.3	0	0	0	109.1	E28	L26-E28 PolarHBondContact O-N 2.9Å
27	D	50.4	Low	49.9	Very low	165 Å²	165	148.9 Å²	148.9	88%	0.882	75%	0.75	S	S	*	*			trans	-60.9	98	169.4	-78.5	-54.6	0	0	0	110.1	D25 I29	D25-D27 PolarHBondContact O-N 3.41Å; D27-I29 PolarHBondContact O-N 3.2Å
28	E	51.6	Low	50.8	Low	147 Å²	147	145 Å²	145	69%	0.687	74%	0.738	S	S	*	*			trans	-73.1	104.4	170.2	-164.5	170.4	-178.6	0	0	108.8	L26 R31	L26-E28 PolarHBondContact O-N 2.9Å; E28-R31 IonicContact OE1-CZ 3.87Å; E28-R31 IonicContact OE1-NH1 3.64Å; E28-R31 IonicContact OE1-NH2 3.03Å; E28-R31 PolarHBondContact OE1-NH2 2.88Å
29	I	51.1	Low	51.7	Low	142 Å²	142	139 Å²	139	73%	0.728	71%	0.708	S	S	*	*			trans	-53.7	126.2	172.5	-60	167.7	0	0	0	108.7	D27 R31	D27-I29 PolarHBondContact O-N 3.2Å; I29-R31 PolarHBondContact O-N 3.02Å
30	P	46.6	Very low	52.3	Low	118 Å²	118	138 Å²	138	77%	0.766	70%	0.695	S	S	*	*			trans	-62.1	110.8	176	-17.7	29.4	0	0	0	109.4	T32	P30-T32 PolarHBondContact O-N 2.99Å
31	R	53.7	Low	53.1	Low	201 Å²	201	129.9 Å²	129.9	76%	0.758	67%	0.666	S	S	*	*			trans	-63	107.7	169.5	-75.1	-174.9	-84.3	-82.9	-7.4	107.3	E28 I29 D33	E28-R31 IonicContact OE1-CZ 3.87Å; E28-R31 IonicContact OE1-NH1 3.64Å; E28-R31 IonicContact OE1-NH2 3.03Å; E28-R31 PolarHBondContact OE1-NH2 2.88Å; I29-R31 PolarHBondContact O-N 3.02Å; R31-D33 PolarHBondContact O-N 3.3Å
32	T	55.8	Low	53.7	Low	99 Å²	99	125.4 Å²	125.4	61%	0.607	65%	0.653	S	S	*	*			trans	-54.4	120.2	167.5	37.4	0	0	0	0	108.3	P30 H34	P30-T32 PolarHBondContact O-N 2.99Å; T32-H34 PolarHBondContact O-CD2 3.18Å; T32-H34 VanDerWaalsContact O-CD2 3.3Å; T32-H34 PolarHBondContact O-N 3.17Å; T32-H34 PolarHBondContact OG1-NE2 3.26Å
33	D	55.4	Low	54.5	Low	140 Å²	140	124.6 Å²	124.6	75%	0.749	65%	0.65	S	S	*	*			trans	-63	87	175.1	-171.7	6.9	0	0	0	108.4	R31 Q35	R31-D33 PolarHBondContact O-N 3.3Å; D33-Q35 PolarHBondContact O-N 3.27Å
34	H	62.9	Low	55	Low	151 Å²	151	119.2 Å²	119.2	70%	0.699	64%	0.643	S	S	*	*			trans	-68.8	92.5	167.3	-65.8	-62.8	0	0	0	106.1	T32 V36	T32-H34 PolarHBondContact O-CD2 3.18Å; T32-H34 VanDerWaalsContact O-CD2 3.3Å; T32-H34 PolarHBondContact O-N 3.17Å; T32-H34 PolarHBondContact OG1-NE2 3.26Å; H34-V36 PolarHBondContact O-N 3.36Å
35	Q	57.3	Low	55.8	Low	173 Å²	173	118.5 Å²	118.5	81%	0.808	64%	0.639	S	S	*	*			trans	-49	103.9	-177.9	-166.2	130.5	19.1	0	0	110.3	D33	D33-Q35 PolarHBondContact O-N 3.27Å
36	V	55	Low	56.9	Low	67 Å²	67	115.7 Å²	115.7	41%	0.406	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-64.3	129.7	-178.9	-179.1	0	0	0	0	107.9	H34 T38 L48	H34-V36 PolarHBondContact O-N 3.36Å; V36-T38 PolarHBondContact O-N 2.94Å; V36-T38 VanDerWaalsContact O-N 3.14Å; V36-L48 HydrophobicContact CB-CD2 4.22Å; V36-L48 HydrophobicContact CG1-CD2 4Å
37	P	58.9	Low	58	Low	69 Å²	69	110.1 Å²	110.1	45%	0.448	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-59.6	120.4	178.1	-22.1	32.3	0	0	0	110.7	Y39	P37-Y39 HydrophobicContact CB-CE1 4.31Å; P37-Y39 HydrophobicContact CB-CE2 3.67Å; P37-Y39 WeakPolarHBondContact CB-OH 3.37Å
38	T	58.7	Low	59.5	Low	88 Å²	88	105.8 Å²	105.8	54%	0.54	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.9	122.3	172	52.5	0	0	0	0	109.4	V36 P46	V36-T38 PolarHBondContact O-N 2.94Å; V36-T38 VanDerWaalsContact O-N 3.14Å; T38-P46 HydrophobicContact CG2-CB 4.15Å
39	Y	59.6	Low	60.8	Low	66 Å²	66	100 Å²	100	26%	0.259	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.3	142.8	176.3	-54.7	-79.9	0	0	0	110.1	P37 I47 A49 I60 I64	P37-Y39 HydrophobicContact CB-CE1 4.31Å; P37-Y39 HydrophobicContact CB-CE2 3.67Å; P37-Y39 WeakPolarHBondContact CB-OH 3.37Å; Y39-I47 PolarHBondContact O-N 2.93Å; Y39-A49 HydrophobicContact CE2-CB 4.21Å; Y39-I60 HydrophobicContact CD1-CG2 3.61Å; Y39-I60 HydrophobicContact CD2-CD1 4.49Å; Y39-I60 HydrophobicContact CD2-CG2 4.41Å; Y39-I60 HydrophobicContact CE1-CG2 3.99Å; Y39-I60 HydrophobicContact CG-CD1 4.34Å; Y39-I60 HydrophobicContact CG-CG2 3.84Å; Y39-I64 HydrophobicContact CD1-CD1 3.86Å; Y39-I64 HydrophobicContact CE1-CD1 3.56Å
40	H	59.1	Low	62.4	Low	95 Å²	95	97.5 Å²	97.5	44%	0.44	55%	0.549	S	S	.	.			trans	-106.9	96.9	-179.6	54.7	-85.8	0	0	0	110.2	S42	H40-S42 VanDerWaalsContact C-N 3.31Å
41	I	60.9	Low	64.4	Low	56 Å²	56	97.1 Å²	97.1	29%	0.287	54%	0.54	S	S	.	.	S	Bend	trans	-75.9	-26.4	176.7	-54.6	179.2	0	0	0	110.2	I47 L52 I60 R119	I41-I47 HydrophobicContact CD1-CD1 4.17Å; I41-L52 HydrophobicContact CD1-CD2 3.77Å; I41-I60 HydrophobicContact CD1-CD1 4.07Å; I41-I60 HydrophobicContact CG1-CD1 4.27Å; I41-R119 PolarHBondContact O-NE 2.85Å; I41-R119 PolarHBondContact O-NH2 3.07Å; I41-R119 VanDerWaalsContact O-NH2 3.07Å
42	S	55.8	Low	66	Low	70 Å²	70	88.1 Å²	88.1	49%	0.49	51%	0.507	S	S	.	.	S	Bend	trans	-143.2	147.7	172.2	-80	0	0	0	0	110.2	H40 G44	H40-S42 VanDerWaalsContact C-N 3.31Å; S42-G44 PolarHBondContact O-N 2.86Å
43	P	56	Low	67.8	Low	104 Å²	104	86.7 Å²	86.7	68%	0.675	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	100.3	178.2	27.4	-31.6	0	0	0	108.4	R119	P43-R119 VanDerWaalsContact CD-CZ 3.46Å; P43-R119 VanDerWaalsContact CD-NH2 3.32Å
44	G	58.2	Low	69.6	Low	68 Å²	68	86.7 Å²	86.7	70%	0.701	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	151.1	-18.5	171.5	0	0	0	0	0	117.6	S42	S42-G44 PolarHBondContact O-N 2.86Å
45	L	64.4	Low	71	Confident	136 Å²	136	85.7 Å²	85.7	71%	0.712	49%	0.489	S	S	*	.			trans	-136.2	111.1	-179.5	-82.4	129.3	0	0	0	111.4	I47	L45-I47 PolarHBondContact O-N 2.79Å
46	P	69.5	Low	72.7	Confident	102 Å²	102	81.6 Å²	81.6	66%	0.662	47%	0.47	S	S	*	.			trans	-69.2	128.2	167	29	-30.7	0	0	0	108.7	T38	T38-P46 HydrophobicContact CG2-CB 4.15Å
47	I	77.6	Confident	74.4	Confident	56 Å²	56	82.3 Å²	82.3	29%	0.287	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.9	172.1	-56.1	174.4	0	0	0	106.9	Y39 I41 L45 D51 L52	Y39-I47 PolarHBondContact O-N 2.93Å; I41-I47 HydrophobicContact CD1-CD1 4.17Å; L45-I47 PolarHBondContact O-N 2.79Å; I47-D51 HydrophobicContact CG2-CB 3.79Å; I47-L52 HydrophobicContact CB-CD2 4.45Å; I47-L52 HydrophobicContact CD1-CD2 4.43Å; I47-L52 HydrophobicContact CG2-CD2 3.76Å; I47-L52 HydrophobicContact CG2-CG 3.85Å
48	L	81.1	Confident	76	Confident	74 Å²	74	82.8 Å²	82.8	39%	0.387	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	146.8	174.3	-63.8	176.5	0	0	0	109.2	V36 S50 D51	V36-L48 HydrophobicContact CB-CD2 4.22Å; V36-L48 HydrophobicContact CG1-CD2 4Å; L48-S50 WeakPolarHBondContact CB-OG 3.29Å; L48-S50 PolarHBondContact O-N 2.74Å; L48-S50 VanDerWaalsContact O-N 3.07Å; L48-D51 PolarHBondContact O-N 3.25Å
49	A	79	Confident	77.5	Confident	26 Å²	26	80.8 Å²	80.8	22%	0.215	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-53.3	-31.8	173.5	0	0	0	0	0	112.5	Y39 D51 L52 Q57	Y39-A49 HydrophobicContact CE2-CB 4.21Å; A49-D51 VanDerWaalsContact C-N 3.26Å; A49-D51 PolarHBondContact O-N 3.39Å; A49-L52 PolarHBondContact O-N 3.5Å; A49-Q57 PolarHBondContact O-NE2 2.83Å
50	S	84.9	Confident	79	Confident	89 Å²	89	77.9 Å²	77.9	62%	0.622	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-65.5	-23.9	177.3	55.1	0	0	0	0	114.8	L48 L52	L48-S50 WeakPolarHBondContact CB-OG 3.29Å; L48-S50 PolarHBondContact O-N 2.74Å; L48-S50 VanDerWaalsContact O-N 3.07Å; S50-L52 VanDerWaalsContact C-N 3.34Å
51	D	88.2	Confident	80.6	Confident	109 Å²	109	77.7 Å²	77.7	58%	0.583	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-94.6	1	-173.5	-55.9	-22.6	0	0	0	112	I47 L48 A49	I47-D51 HydrophobicContact CG2-CB 3.79Å; L48-D51 PolarHBondContact O-N 3.25Å; A49-D51 VanDerWaalsContact C-N 3.26Å; A49-D51 PolarHBondContact O-N 3.39Å
52	L	87.7	Confident	82.1	Confident	13 Å²	13	79.5 Å²	79.5	7%	0.068	45%	0.452	C	S	.	.	S	Bend	trans	-102.7	141.2	-179.9	-65	170.8	0	0	0	110.5	I41 I47 A49 S50 E56 Q57 I60	I41-L52 HydrophobicContact CD1-CD2 3.77Å; I47-L52 HydrophobicContact CB-CD2 4.45Å; I47-L52 HydrophobicContact CD1-CD2 4.43Å; I47-L52 HydrophobicContact CG2-CD2 3.76Å; I47-L52 HydrophobicContact CG2-CG 3.85Å; A49-L52 PolarHBondContact O-N 3.5Å; S50-L52 VanDerWaalsContact C-N 3.34Å; L52-E56 VanDerWaalsContact CA-OE2 3.29Å; L52-E56 WeakPolarHBondContact CA-OE2 3.44Å; L52-E56 HydrophobicContact CB-CB 4.02Å; L52-E56 HydrophobicContact CD2-CB 4.12Å; L52-Q57 HydrophobicContact CB-CG 3.81Å; L52-Q57 PolarHBondContact O-NE2 3.49Å; L52-I60 HydrophobicContact CD1-CD1 3.35Å
53	T	93.7	Very high	83.9	Confident	69 Å²	69	78.1 Å²	78.1	42%	0.423	44%	0.436	S	S	.	.			trans	-63.8	160.2	170.4	84	0	0	0	0	110.6	E55 E56 Q57	T53-E55 VanDerWaalsContact CB-OE2 3.24Å; T53-E55 WeakPolarHBondContact CB-OE2 3.32Å; T53-E55 PolarHBondContact O-N 3Å; T53-E55 PolarHBondContact OG1-N 3.26Å; T53-E55 PolarHBondContact OG1-OE2 2.86Å; T53-E56 PolarHBondContact N-OE2 3.34Å; T53-E56 PolarHBondContact O-N 3.46Å; T53-E56 VanDerWaalsContact O-N 3.11Å; T53-E56 PolarHBondContact OG1-N 2.92Å; T53-Q57 WeakPolarHBondContact O-CG 3.24Å; T53-Q57 PolarHBondContact O-N 3.11Å
54	E	92.6	Very high	85.6	Confident	139 Å²	139	75.8 Å²	75.8	65%	0.65	42%	0.417	S	S	*	.	H	α-helix	trans	-56.9	-38.2	176.3	-174.1	179.3	169.9	0	0	111	Q57 I58	E54-Q57 PolarHBondContact O-N 2.97Å; E54-I58 HydrophobicContact CG-CD1 4Å; E54-I58 HydrophobicContact CG-CG1 4.5Å; E54-I58 WeakPolarHBondContact O-CB 3.37Å; E54-I58 VanDerWaalsContact O-CG1 3.22Å; E54-I58 WeakPolarHBondContact O-CG1 3.35Å; E54-I58 PolarHBondContact O-N 2.96Å
55	E	93.5	Very high	87.3	Confident	131 Å²	131	77.2 Å²	77.2	61%	0.612	41%	0.405	S	S	*	.	H	α-helix	trans	-64.3	-41.4	176.8	-57.9	75.7	-163.4	0	0	112.1	T53 I58 E59	T53-E55 VanDerWaalsContact CB-OE2 3.24Å; T53-E55 WeakPolarHBondContact CB-OE2 3.32Å; T53-E55 PolarHBondContact O-N 3Å; T53-E55 PolarHBondContact OG1-N 3.26Å; T53-E55 PolarHBondContact OG1-OE2 2.86Å; E55-I58 PolarHBondContact O-N 3.14Å; E55-E59 WeakPolarHBondContact O-CB 3.32Å; E55-E59 PolarHBondContact O-N 3.19Å
56	E	91.6	Very high	88.6	Confident	87 Å²	87	71.5 Å²	71.5	41%	0.407	38%	0.375	S	S	.	.	H	α-helix	trans	-65.9	-40.5	175.7	-69.2	176.1	142.3	0	0	111.4	L52 T53 E59 I60	L52-E56 VanDerWaalsContact CA-OE2 3.29Å; L52-E56 WeakPolarHBondContact CA-OE2 3.44Å; L52-E56 HydrophobicContact CB-CB 4.02Å; L52-E56 HydrophobicContact CD2-CB 4.12Å; T53-E56 PolarHBondContact N-OE2 3.34Å; T53-E56 PolarHBondContact O-N 3.46Å; T53-E56 VanDerWaalsContact O-N 3.11Å; T53-E56 PolarHBondContact OG1-N 2.92Å; E56-E59 PolarHBondContact O-N 3.31Å; E56-I60 WeakPolarHBondContact O-CG1 3.47Å; E56-I60 PolarHBondContact O-N 2.98Å
57	Q	91.1	Very high	89.7	Confident	81 Å²	81	67.4 Å²	67.4	38%	0.379	35%	0.347	S	S	.	.	H	α-helix	trans	-63.5	-46.2	175	-67.5	176.6	32	0	0	111.5	A49 L52 T53 E54 E59 I60 V61	A49-Q57 PolarHBondContact O-NE2 2.83Å; L52-Q57 HydrophobicContact CB-CG 3.81Å; L52-Q57 PolarHBondContact O-NE2 3.49Å; T53-Q57 WeakPolarHBondContact O-CG 3.24Å; T53-Q57 PolarHBondContact O-N 3.11Å; E54-Q57 PolarHBondContact O-N 2.97Å; Q57-E59 VanDerWaalsContact C-N 3.27Å; Q57-E59 PolarHBondContact O-N 2.85Å; Q57-I60 PolarHBondContact O-N 3.07Å; Q57-V61 WeakPolarHBondContact O-CG2 3.22Å; Q57-V61 PolarHBondContact O-N 3.45Å
58	I	92.4	Very high	90.5	Very high	79 Å²	79	71.4 Å²	71.4	41%	0.405	37%	0.365	S	S	.	.	H	α-helix	trans	-56.3	-45.4	175.3	-73.7	165.6	0	0	0	110	E54 E55 V61 K62	E54-I58 HydrophobicContact CG-CD1 4Å; E54-I58 HydrophobicContact CG-CG1 4.5Å; E54-I58 WeakPolarHBondContact O-CB 3.37Å; E54-I58 VanDerWaalsContact O-CG1 3.22Å; E54-I58 WeakPolarHBondContact O-CG1 3.35Å; E54-I58 PolarHBondContact O-N 2.96Å; E55-I58 PolarHBondContact O-N 3.14Å; I58-V61 PolarHBondContact O-N 3.48Å; I58-K62 HydrophobicContact CG2-CD 4.31Å; I58-K62 HydrophobicContact CG2-CG 4.48Å; I58-K62 WeakPolarHBondContact O-CG 3.37Å; I58-K62 PolarHBondContact O-N 3.37Å
59	E	91.2	Very high	91	Very high	46 Å²	46	74.7 Å²	74.7	22%	0.215	38%	0.376	C	S	.	.	H	α-helix	trans	-66.3	-39.6	-177.9	-176.1	64.3	-169	0	0	112.5	E55 E56 Q57 K62 R63 F121	E55-E59 WeakPolarHBondContact O-CB 3.32Å; E55-E59 PolarHBondContact O-N 3.19Å; E56-E59 PolarHBondContact O-N 3.31Å; Q57-E59 VanDerWaalsContact C-N 3.27Å; Q57-E59 PolarHBondContact O-N 2.85Å; E59-K62 PolarHBondContact O-N 2.98Å; E59-K62 IonicContact OE2-NZ 3.21Å; E59-R63 WeakPolarHBondContact O-CG 3.09Å; E59-R63 PolarHBondContact O-N 3.03Å; E59-R63 VanDerWaalsContact O-N 3.08Å; E59-R63 IonicContact OE1-CZ 3.77Å; E59-R63 IonicContact OE1-NE 2.8Å; E59-R63 IonicContact OE1-NH1 2.88Å; E59-R63 PolarHBondContact OE1-NH1 3.29Å; E59-R63 IonicContact OE1-NH2 3.93Å; E59-R63 PolarHBondContact OE1-NH2 2.94Å; E59-F121 WeakPolarHBondContact OE1-CE2 3.39Å
60	I	91.1	Very high	91.8	Very high	6 Å²	6	74.1 Å²	74.1	3%	0.031	37%	0.369	C	S	.	.	H	α-helix	trans	-62.6	-45.7	173.2	-71.2	167.6	0	0	0	110.7	Y39 I41 L52 E56 Q57 K62 R63 I64	Y39-I60 HydrophobicContact CD1-CG2 3.61Å; Y39-I60 HydrophobicContact CD2-CD1 4.49Å; Y39-I60 HydrophobicContact CD2-CG2 4.41Å; Y39-I60 HydrophobicContact CE1-CG2 3.99Å; Y39-I60 HydrophobicContact CG-CD1 4.34Å; Y39-I60 HydrophobicContact CG-CG2 3.84Å; I41-I60 HydrophobicContact CD1-CD1 4.07Å; I41-I60 HydrophobicContact CG1-CD1 4.27Å; L52-I60 HydrophobicContact CD1-CD1 3.35Å; E56-I60 WeakPolarHBondContact O-CG1 3.47Å; E56-I60 PolarHBondContact O-N 2.98Å; Q57-I60 PolarHBondContact O-N 3.07Å; I60-K62 VanDerWaalsContact C-N 3.31Å; I60-K62 PolarHBondContact O-N 3.42Å; I60-R63 PolarHBondContact O-N 3.04Å; I60-I64 HydrophobicContact CG2-CD1 3.65Å; I60-I64 HydrophobicContact CG2-CG1 4.34Å; I60-I64 WeakPolarHBondContact O-CG1 3.35Å; I60-I64 PolarHBondContact O-N 3.23Å
61	V	92.7	Very high	92.3	Very high	90 Å²	90	73.7 Å²	73.7	55%	0.545	36%	0.364	S	S	.	.	H	α-helix	trans	-61.1	-41.9	178.2	171.7	0	0	0	0	110.7	Q57 I58 R63 I64 H65	Q57-V61 WeakPolarHBondContact O-CG2 3.22Å; Q57-V61 PolarHBondContact O-N 3.45Å; I58-V61 PolarHBondContact O-N 3.48Å; V61-R63 VanDerWaalsContact C-N 3.35Å; V61-R63 PolarHBondContact O-N 3.29Å; V61-I64 PolarHBondContact O-N 3.08Å; V61-H65 WeakPolarHBondContact O-CB 3.39Å; V61-H65 PolarHBondContact O-N 3.38Å
62	K	92.6	Very high	92.7	Very high	95 Å²	95	72.1 Å²	72.1	41%	0.413	36%	0.356	S	S	.	.	H	α-helix	trans	-57.4	-45.7	174.4	-74.2	175.6	-178.8	179.3	0	112.1	I58 E59 I60 H65 M66 F121	I58-K62 HydrophobicContact CG2-CD 4.31Å; I58-K62 HydrophobicContact CG2-CG 4.48Å; I58-K62 WeakPolarHBondContact O-CG 3.37Å; I58-K62 PolarHBondContact O-N 3.37Å; E59-K62 PolarHBondContact O-N 2.98Å; E59-K62 IonicContact OE2-NZ 3.21Å; I60-K62 VanDerWaalsContact C-N 3.31Å; I60-K62 PolarHBondContact O-N 3.42Å; K62-H65 PolarHBondContact O-N 2.91Å; K62-M66 PolarHBondContact O-N 2.68Å; K62-F121 HydrophobicContact CB-CZ 4.33Å
63	R	93	Very high	93.2	Very high	41 Å²	41	74.9 Å²	74.9	16%	0.155	37%	0.373	C	S	.	.	H	α-helix	trans	-63.7	-47.9	178.5	-72.9	-178.4	173.6	110	17.4	112.3	E59 I60 V61 H65 M66 L67 L117 M118 F121	E59-R63 WeakPolarHBondContact O-CG 3.09Å; E59-R63 PolarHBondContact O-N 3.03Å; E59-R63 VanDerWaalsContact O-N 3.08Å; E59-R63 IonicContact OE1-CZ 3.77Å; E59-R63 IonicContact OE1-NE 2.8Å; E59-R63 IonicContact OE1-NH1 2.88Å; E59-R63 PolarHBondContact OE1-NH1 3.29Å; E59-R63 IonicContact OE1-NH2 3.93Å; E59-R63 PolarHBondContact OE1-NH2 2.94Å; I60-R63 PolarHBondContact O-N 3.04Å; V61-R63 VanDerWaalsContact C-N 3.35Å; V61-R63 PolarHBondContact O-N 3.29Å; R63-H65 VanDerWaalsContact C-N 3.32Å; R63-H65 PolarHBondContact O-N 3.4Å; R63-M66 PolarHBondContact O-N 3.43Å; R63-L67 WeakPolarHBondContact O-CG 3.38Å; R63-L67 PolarHBondContact O-N 2.83Å; R63-L117 WeakPolarHBondContact CD-O 3.47Å; R63-M118 HydrophobicContact CB-SD 4.03Å; R63-M118 VanDerWaalsContact CD-C 3.5Å; R63-M118 WeakPolarHBondContact CD-O 3.46Å; R63-M118 PolarHBondContact NE-O 3.11Å; R63-F121 HydrophobicContact CB-CE1 4.35Å; R63-F121 HydrophobicContact CB-CZ 4.19Å; R63-F121 HydrophobicContact CG-CE1 3.7Å; R63-F121 HydrophobicContact CG-CE2 3.95Å; R63-F121 HydrophobicContact CG-CZ 3.27Å
64	I	92.6	Very high	93.4	Very high	54 Å²	54	76.2 Å²	76.2	28%	0.277	38%	0.378	S	S	.	.	H	α-helix	trans	-60.2	-45.7	177.2	-67.5	170.6	0	0	0	110.3	Y39 I60 V61 L67 Q68 M118	Y39-I64 HydrophobicContact CD1-CD1 3.86Å; Y39-I64 HydrophobicContact CE1-CD1 3.56Å; I60-I64 HydrophobicContact CG2-CD1 3.65Å; I60-I64 HydrophobicContact CG2-CG1 4.34Å; I60-I64 WeakPolarHBondContact O-CG1 3.35Å; I60-I64 PolarHBondContact O-N 3.23Å; V61-I64 PolarHBondContact O-N 3.08Å; I64-L67 WeakPolarHBondContact O-CB 3.23Å; I64-L67 PolarHBondContact O-N 2.89Å; I64-Q68 WeakPolarHBondContact O-CG 3.34Å; I64-Q68 PolarHBondContact O-N 3.18Å; I64-Q68 VanDerWaalsContact O-N 3.1Å; I64-M118 HydrophobicContact CG1-SD 4.46Å
65	H	92.6	Very high	93.6	Very high	98 Å²	98	70 Å²	70	45%	0.454	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-50.2	178.9	-174.1	73.4	0	0	0	110.8	V61 K62 R63 L67 Q68 F69	V61-H65 WeakPolarHBondContact O-CB 3.39Å; V61-H65 PolarHBondContact O-N 3.38Å; K62-H65 PolarHBondContact O-N 2.91Å; R63-H65 VanDerWaalsContact C-N 3.32Å; R63-H65 PolarHBondContact O-N 3.4Å; H65-L67 VanDerWaalsContact C-N 3.34Å; H65-L67 PolarHBondContact O-N 3.34Å; H65-Q68 WeakPolarHBondContact O-CB 3.5Å; H65-Q68 PolarHBondContact O-N 2.96Å; H65-Q68 VanDerWaalsContact O-N 3.09Å; H65-F69 AromaticContact CD2-CE2 3.58Å; H65-F69 AromaticContact CE1-CE2 3.18Å; H65-F69 WeakPolarHBondContact CE1-CE2 3.45Å; H65-F69 AromaticContact CE1-CZ 3.45Å; H65-F69 VanDerWaalsContact CE1-CZ 3.45Å; H65-F69 WeakPolarHBondContact CE1-CZ 3.45Å; H65-F69 AromaticContact CG-CE2 3.72Å; H65-F69 AromaticContact ND1-CE2 3.47Å; H65-F69 WeakPolarHBondContact ND1-CE2 3.5Å; H65-F69 AromaticContact NE2-CE2 3.24Å; H65-F69 WeakPolarHBondContact NE2-CE2 3.36Å; H65-F69 AromaticContact NE2-CZ 3.74Å; H65-F69 WeakPolarHBondContact O-CD2 3.18Å; H65-F69 VanDerWaalsContact O-CE2 3.31Å; H65-F69 WeakPolarHBondContact O-CE2 3.35Å
66	M	91.6	Very high	93.6	Very high	16 Å²	16	68.5 Å²	68.5	8%	0.079	35%	0.348	C	S	.	.	H	α-helix	trans	-58.4	-44.9	177.3	-176.5	-145	56.8	0	0	111.9	K62 R63 Q68 F69 L70 L117 F121 L130	K62-M66 PolarHBondContact O-N 2.68Å; R63-M66 PolarHBondContact O-N 3.43Å; M66-Q68 PolarHBondContact O-N 3.3Å; M66-F69 PolarHBondContact O-N 3.33Å; M66-F69 VanDerWaalsContact O-N 3.11Å; M66-L70 HydrophobicContact CE-CD1 4.08Å; M66-L70 PolarHBondContact O-N 3.42Å; M66-L117 HydrophobicContact CE-CB 3.82Å; M66-L117 HydrophobicContact CE-CD1 3.67Å; M66-L117 HydrophobicContact CE-CD2 4.02Å; M66-L117 HydrophobicContact CE-CG 4.02Å; M66-F121 HydrophobicContact CB-CE1 4.15Å; M66-F121 HydrophobicContact CE-CD1 3.9Å; M66-F121 HydrophobicContact CE-CE1 3.96Å; M66-F121 HydrophobicContact CG-CE1 4.44Å; M66-F121 HydrophobicContact SD-CD1 3.41Å; M66-F121 WeakPolarHBondContact SD-CD1 3.48Å; M66-F121 HydrophobicContact SD-CE1 3.67Å; M66-L130 HydrophobicContact SD-CB 3.91Å
67	L	93.9	Very high	93.7	Very high	16 Å²	16	65.4 Å²	65.4	8%	0.084	34%	0.336	C	S	.	.	H	α-helix	trans	-57.3	-33.1	176.9	-76.5	174.7	0	0	0	113	R63 I64 H65 F69 L70 R100 D114 L117 M118	R63-L67 WeakPolarHBondContact O-CG 3.38Å; R63-L67 PolarHBondContact O-N 2.83Å; I64-L67 WeakPolarHBondContact O-CB 3.23Å; I64-L67 PolarHBondContact O-N 2.89Å; H65-L67 VanDerWaalsContact C-N 3.34Å; H65-L67 PolarHBondContact O-N 3.34Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 2.9Å; L67-L70 HydrophobicContact CD2-CD1 4.32Å; L67-R100 PolarHBondContact O-NH1 3.25Å; L67-D114 HydrophobicContact CD1-CB 4.41Å; L67-D114 HydrophobicContact CD2-CB 4.39Å; L67-D114 WeakPolarHBondContact CD2-OD1 3.17Å; L67-L117 HydrophobicContact CD2-CB 3.76Å; L67-L117 HydrophobicContact CD2-CD1 3.53Å; L67-L117 HydrophobicContact CD2-CG 4.28Å; L67-L117 HydrophobicContact CG-CB 4.37Å; L67-M118 HydrophobicContact CD1-CG 4.36Å; L67-M118 HydrophobicContact CD1-SD 4.2Å
68	Q	92.8	Very high	93.6	Very high	140 Å²	140	68.6 Å²	68.6	65%	0.654	36%	0.36	S	S	*	.	H	α-helix	trans	-69.4	-25.5	179.2	-70.8	169.8	-15.6	0	0	113.6	I64 H65 M66	I64-Q68 WeakPolarHBondContact O-CG 3.34Å; I64-Q68 PolarHBondContact O-N 3.18Å; I64-Q68 VanDerWaalsContact O-N 3.1Å; H65-Q68 WeakPolarHBondContact O-CB 3.5Å; H65-Q68 PolarHBondContact O-N 2.96Å; H65-Q68 VanDerWaalsContact O-N 3.09Å; M66-Q68 PolarHBondContact O-N 3.3Å
69	F	92.9	Very high	93.5	Very high	143 Å²	143	68.6 Å²	68.6	63%	0.627	36%	0.361	S	S	*	.	H	α-helix	trans	-90.7	-13.3	179.4	-64.7	-78.2	0	0	0	114.4	H65 M66 L67	H65-F69 AromaticContact CD2-CE2 3.58Å; H65-F69 AromaticContact CE1-CE2 3.18Å; H65-F69 WeakPolarHBondContact CE1-CE2 3.45Å; H65-F69 AromaticContact CE1-CZ 3.45Å; H65-F69 VanDerWaalsContact CE1-CZ 3.45Å; H65-F69 WeakPolarHBondContact CE1-CZ 3.45Å; H65-F69 AromaticContact CG-CE2 3.72Å; H65-F69 AromaticContact ND1-CE2 3.47Å; H65-F69 WeakPolarHBondContact ND1-CE2 3.5Å; H65-F69 AromaticContact NE2-CE2 3.24Å; H65-F69 WeakPolarHBondContact NE2-CE2 3.36Å; H65-F69 AromaticContact NE2-CZ 3.74Å; H65-F69 WeakPolarHBondContact O-CD2 3.18Å; H65-F69 VanDerWaalsContact O-CE2 3.31Å; H65-F69 WeakPolarHBondContact O-CE2 3.35Å; M66-F69 PolarHBondContact O-N 3.33Å; M66-F69 VanDerWaalsContact O-N 3.11Å; L67-F69 VanDerWaalsContact C-N 3.32Å; L67-F69 PolarHBondContact O-N 2.9Å
70	L	94.8	Very high	93.3	Very high	14 Å²	14	75.7 Å²	75.7	7%	0.073	39%	0.391	C	S	.	.	S	Bend	trans	-73.9	129.3	-179.2	-68.3	178	0	0	0	110.4	M66 L67 L72 R100 L102 P103 L117	M66-L70 HydrophobicContact CE-CD1 4.08Å; M66-L70 PolarHBondContact O-N 3.42Å; L67-L70 HydrophobicContact CD2-CD1 4.32Å; L70-L72 PolarHBondContact O-N 3.26Å; L70-R100 HydrophobicContact CB-CG 3.67Å; L70-R100 HydrophobicContact CD1-CG 4.39Å; L70-R100 PolarHBondContact O-NH1 2.74Å; L70-L102 HydrophobicContact CD1-CD2 3.78Å; L70-L102 HydrophobicContact CD2-CD2 4.38Å; L70-P103 HydrophobicContact CD2-CG 4.18Å; L70-L117 HydrophobicContact CD1-CD1 3.5Å; L70-L117 VanDerWaalsContact CD1-CD1 3.5Å
71	P	96.4	Very high	93	Very high	80 Å²	80	84 Å²	84	52%	0.519	43%	0.43	S	S	.	.			trans	-55.7	125.5	-179.1	-25.6	32.1	0	0	0	112.5	R100 Y101	P71-R100 VanDerWaalsContact O-CA 3.29Å; P71-R100 WeakPolarHBondContact O-CA 3.21Å; P71-R100 WeakPolarHBondContact O-CG 3.48Å; P71-Y101 WeakPolarHBondContact CD-O 3.24Å; P71-Y101 PolarHBondContact O-N 2.95Å
72	L	96.9	Very high	92.7	Very high	77 Å²	77	87.6 Å²	87.6	40%	0.403	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	132.3	174.8	-178.2	69.2	0	0	0	109.2	L70 V99 R110	L70-L72 PolarHBondContact O-N 3.26Å; L72-V99 WeakPolarHBondContact CD1-O 3.42Å; L72-R110 HydrophobicContact CD1-CB 3.78Å; L72-R110 HydrophobicContact CD1-CG 3.7Å
73	T	96.9	Very high	92.4	Very high	70 Å²	70	85.9 Å²	85.9	43%	0.429	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	168.4	178.6	-175	0	0	0	0	111.1	V99 Y101	T73-V99 HydrophobicContact CG2-CG2 4.14Å; T73-V99 PolarHBondContact N-O 3.42Å; T73-V99 WeakPolarHBondContact O-CG2 3.41Å; T73-V99 PolarHBondContact O-N 3.32Å; T73-Y101 HydrophobicContact CG2-CD2 3.98Å; T73-Y101 HydrophobicContact CG2-CE2 3.41Å; T73-Y101 VanDerWaalsContact CG2-CE2 3.41Å
74	N	97.5	Very high	92.4	Very high	97 Å²	97	91 Å²	91	52%	0.519	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	130.6	170.3	-65.4	-35.7	0	0	0	109.6	V76 D97	N74-V76 PolarHBondContact O-N 3.02Å; N74-D97 CarbonylContact C-O 3.59Å; N74-D97 WeakPolarHBondContact CA-O 3.3Å
75	Y	97	Very high	92.6	Very high	8 Å²	8	93.2 Å²	93.2	3%	0.031	46%	0.462	C	S	.	.			trans	-67.1	129.9	-178.1	-177.2	-109.8	0	0	0	111.2	P77 R84 L93 K94 L95 G96 D97 V99	Y75-P77 HydrophobicContact CE1-CB 3.89Å; Y75-P77 HydrophobicContact CE1-CG 4.48Å; Y75-R84 HydrophobicContact CE2-CB 4.45Å; Y75-R84 WeakPolarHBondContact OH-CB 3.01Å; Y75-R84 PolarHBondContact OH-N 3.46Å; Y75-L93 HydrophobicContact CD1-CB 3.68Å; Y75-L93 HydrophobicContact CD2-CB 4.28Å; Y75-L93 HydrophobicContact CD2-CD1 4.12Å; Y75-L93 HydrophobicContact CE1-CB 3.63Å; Y75-L93 WeakPolarHBondContact CE1-O 3.39Å; Y75-L93 HydrophobicContact CE2-CB 4.24Å; Y75-L93 HydrophobicContact CE2-CD1 4.01Å; Y75-L93 HydrophobicContact CG-CB 4.01Å; Y75-K94 WeakPolarHBondContact CD1-O 3.46Å; Y75-L95 WeakPolarHBondContact O-CA 3.44Å; Y75-G96 PolarHBondContact O-N 3.31Å; Y75-D97 WeakPolarHBondContact CB-O 3.34Å; Y75-D97 PolarHBondContact N-O 3.21Å; Y75-V99 HydrophobicContact CD2-CG1 4.47Å; Y75-V99 HydrophobicContact CD2-CG2 4.28Å; Y75-V99 HydrophobicContact CG-CG1 4.36Å
76	V	94.9	Very high	92.8	Very high	101 Å²	101	88.5 Å²	88.5	61%	0.612	44%	0.44	S	S	*	.			trans	-121.5	113.3	171.7	-177.6	0	0	0	0	108	N74 V78 L95	N74-V76 PolarHBondContact O-N 3.02Å; V76-V78 PolarHBondContact O-N 3.44Å; V76-L95 HydrophobicContact CB-CD1 4.43Å; V76-L95 HydrophobicContact CG1-CD1 4.26Å; V76-L95 HydrophobicContact CG2-CD1 4.24Å
77	P	93.2	Very high	93.1	Very high	22 Å²	22	91.3 Å²	91.3	14%	0.143	45%	0.454	C	S	.	.			trans	-67.9	128.4	179.5	26.9	-32.2	0	0	0	110.1	Y75 N79 L83 L95	Y75-P77 HydrophobicContact CE1-CB 3.89Å; Y75-P77 HydrophobicContact CE1-CG 4.48Å; P77-N79 VanDerWaalsContact C-N 3.34Å; P77-L83 HydrophobicContact CB-CD2 3.76Å; P77-L83 HydrophobicContact CG-CD2 4.22Å; P77-L95 HydrophobicContact CG-CB 4.35Å
78	V	89.8	Confident	93.3	Very high	147 Å²	147	93.3 Å²	93.3	89%	0.891	46%	0.464	S	S	*	.	S	Bend	trans	-68.5	-37.4	176	-177.3	0	0	0	0	110.8	V76	V76-V78 PolarHBondContact O-N 3.44Å
79	N	89.9	Confident	93.5	Very high	80 Å²	80	88.6 Å²	88.6	43%	0.428	45%	0.447	S	S	.	.			trans	-122.6	126	173.4	-176.1	-7.9	0	0	0	109.3	P77 E81 K82	P77-N79 VanDerWaalsContact C-N 3.34Å; N79-E81 PolarHBondContact O-N 3.44Å; N79-E81 WeakPolarHBondContact OD1-CB 3.31Å; N79-E81 PolarHBondContact OD1-N 3.09Å; N79-K82 CarbonylContact O-C 3.58Å; N79-K82 PolarHBondContact O-N 2.99Å
80	K	85.6	Confident	93.7	Very high	195 Å²	195	88.8 Å²	88.8	85%	0.848	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-22.4	178	-65.8	-174.9	178.9	-178.1	0	113.4
81	E	85.7	Confident	93.9	Very high	181 Å²	181	92.9 Å²	92.9	85%	0.846	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.7	-178.8	-60.3	176.1	176.4	0	0	113	N79	N79-E81 PolarHBondContact O-N 3.44Å; N79-E81 WeakPolarHBondContact OD1-CB 3.31Å; N79-E81 PolarHBondContact OD1-N 3.09Å
82	K	85.9	Confident	93.9	Very high	164 Å²	164	93.2 Å²	93.2	71%	0.713	47%	0.471	S	S	*	.			trans	-137.4	95.1	-177.9	-170.4	176.2	-177.6	177.7	0	110.6	N79	N79-K82 CarbonylContact O-C 3.58Å; N79-K82 PolarHBondContact O-N 2.99Å
83	L	87.1	Confident	93.9	Very high	59 Å²	59	89.5 Å²	89.5	31%	0.309	45%	0.451	S	S	.	.			trans	-73.3	149.4	172.1	-56.9	-178.9	0	0	0	109.9	P77 D92	P77-L83 HydrophobicContact CB-CD2 3.76Å; P77-L83 HydrophobicContact CG-CD2 4.22Å; L83-D92 HydrophobicContact CB-CB 4.06Å; L83-D92 HydrophobicContact CD1-CB 3.85Å
84	R	92.8	Very high	93.8	Very high	149 Å²	149	92.4 Å²	92.4	56%	0.562	46%	0.458	S	S	*	.			trans	-78.3	151.6	164.9	-72	-175.4	-173.3	-103.7	4.3	108.2	Y75 L93	Y75-R84 HydrophobicContact CE2-CB 4.45Å; Y75-R84 WeakPolarHBondContact OH-CB 3.01Å; Y75-R84 PolarHBondContact OH-N 3.46Å; R84-L93 HydrophobicContact CB-CD1 3.93Å; R84-L93 HydrophobicContact CB-CG 4.48Å; R84-L93 VanDerWaalsContact O-CB 3.31Å; R84-L93 WeakPolarHBondContact O-CB 3.39Å; R84-L93 WeakPolarHBondContact O-CG 3.37Å; R84-L93 PolarHBondContact O-N 2.8Å
85	E	96	Very high	93.8	Very high	100 Å²	100	93.9 Å²	93.9	47%	0.467	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	142.2	179.3	-171.8	-173	168.8	0	0	110.4	M90	E85-M90 VanDerWaalsContact OE1-CA 3.29Å; E85-M90 WeakPolarHBondContact OE1-CA 3.18Å
86	C	98.2	Very high	93.7	Very high	0 Å²	0	95.6 Å²	95.6	0%	0	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	106.6	166.5	-177.5	0	0	0	0	109.5	I88 C89 M90 N91 L93 H109	C86-I88 PolarHBondContact O-N 3.36Å; C86-I88 VanDerWaalsContact O-N 3.08Å; C86-C89 PolarHBondContact O-N 2.96Å; C86-M90 WeakPolarHBondContact O-CA 3.47Å; C86-M90 PolarHBondContact O-N 3.1Å; C86-N91 PolarHBondContact N-O 3.09Å; C86-L93 HydrophobicContact CB-CD2 3.84Å; C86-H109 VanDerWaalsContact CB-ND1 3.33Å; C86-H109 WeakPolarHBondContact CB-ND1 3.24Å
87	I	97.1	Very high	93.9	Very high	75 Å²	75	92.7 Å²	92.7	39%	0.385	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-13.8	-176.6	63.3	156.4	0	0	0	114.5	Y108 P124 T125	I87-Y108 HydrophobicContact CD1-CE1 4.2Å; I87-Y108 HydrophobicContact CG1-CD1 4.28Å; I87-Y108 HydrophobicContact CG1-CE1 3.63Å; I87-P124 HydrophobicContact CD1-CB 3.82Å; I87-P124 HydrophobicContact CG1-CB 4.39Å; I87-T125 VanDerWaalsContact CD1-OG1 3.31Å; I87-T125 WeakPolarHBondContact CD1-OG1 3.45Å
88	I	97.7	Very high	94.1	Very high	57 Å²	57	95.8 Å²	95.8	29%	0.292	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-43.6	178.3	-59.8	171.9	0	0	0	110.1	C86 Y108 C112 I113 W116 P124	C86-I88 PolarHBondContact O-N 3.36Å; C86-I88 VanDerWaalsContact O-N 3.08Å; I88-Y108 HydrophobicContact CD1-CD1 3.66Å; I88-Y108 HydrophobicContact CD1-CE1 4.23Å; I88-Y108 HydrophobicContact CD1-CG 4.15Å; I88-Y108 HydrophobicContact CG1-CD1 3.85Å; I88-Y108 HydrophobicContact CG1-CE1 4.21Å; I88-C112 HydrophobicContact CB-CB 3.9Å; I88-C112 HydrophobicContact CD1-CB 3.94Å; I88-C112 WeakPolarHBondContact CD1-O 3.35Å; I88-C112 HydrophobicContact CG2-CB 3.8Å; I88-I113 HydrophobicContact CD1-CB 4.1Å; I88-I113 HydrophobicContact CD1-CD1 3.97Å; I88-W116 HydrophobicContact CD1-CB 4.23Å; I88-P124 HydrophobicContact CD1-CG 4.07Å; I88-P124 HydrophobicContact CG1-CB 4.45Å; I88-P124 HydrophobicContact CG1-CG 4.2Å
89	C	97.8	Very high	94.5	Very high	42 Å²	42	88.8 Å²	88.8	28%	0.284	44%	0.436	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-3.7	-179.9	68.1	0	0	0	0	113.8	C86 N91 H109	C86-C89 PolarHBondContact O-N 2.96Å; C89-N91 PolarHBondContact O-N 3.43Å; C89-H109 PolarHBondContact SG-ND1 3.03Å; C89-H109 VanDerWaalsContact SG-ND1 3.42Å
90	M	97.3	Very high	94.9	Very high	147 Å²	147	85.7 Å²	85.7	72%	0.724	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	32.9	-178.7	-54.5	176.6	-172.1	0	0	113.7	E85 C86	E85-M90 VanDerWaalsContact OE1-CA 3.29Å; E85-M90 WeakPolarHBondContact OE1-CA 3.18Å; C86-M90 WeakPolarHBondContact O-CA 3.47Å; C86-M90 PolarHBondContact O-N 3.1Å
91	N	97.5	Very high	95.4	Very high	100 Å²	100	79.7 Å²	79.7	54%	0.535	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	149.9	178.2	-68.3	-42	0	0	0	111.2	C86 C89	C86-N91 PolarHBondContact N-O 3.09Å; C89-N91 PolarHBondContact O-N 3.43Å
92	D	96.9	Very high	95.9	Very high	86 Å²	86	71.2 Å²	71.2	46%	0.46	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	137.9	173.3	-67.1	-34.8	0	0	0	112.2	L83	L83-D92 HydrophobicContact CB-CB 4.06Å; L83-D92 HydrophobicContact CD1-CB 3.85Å
93	L	97.1	Very high	96.4	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	35%	0.346	C	S	.	.			trans	-73.4	122.9	166.6	-59.1	-178.9	0	0	0	109	Y75 R84 C86 V99 T107	Y75-L93 HydrophobicContact CD1-CB 3.68Å; Y75-L93 HydrophobicContact CD2-CB 4.28Å; Y75-L93 HydrophobicContact CD2-CD1 4.12Å; Y75-L93 HydrophobicContact CE1-CB 3.63Å; Y75-L93 WeakPolarHBondContact CE1-O 3.39Å; Y75-L93 HydrophobicContact CE2-CB 4.24Å; Y75-L93 HydrophobicContact CE2-CD1 4.01Å; Y75-L93 HydrophobicContact CG-CB 4.01Å; R84-L93 HydrophobicContact CB-CD1 3.93Å; R84-L93 HydrophobicContact CB-CG 4.48Å; R84-L93 VanDerWaalsContact O-CB 3.31Å; R84-L93 WeakPolarHBondContact O-CB 3.39Å; R84-L93 WeakPolarHBondContact O-CG 3.37Å; R84-L93 PolarHBondContact O-N 2.8Å; C86-L93 HydrophobicContact CB-CD2 3.84Å; L93-V99 HydrophobicContact CD1-CG1 4.22Å; L93-V99 HydrophobicContact CD2-CG1 3.9Å; L93-T107 HydrophobicContact CD1-CG2 3.95Å
94	K	95.7	Very high	96.8	Very high	131 Å²	131	66.5 Å²	66.5	57%	0.57	34%	0.342	S	S	*	.			trans	-104.3	155.1	-177.2	-62.1	175	-174.5	172.4	0	111.3	Y75 G96 D97	Y75-K94 WeakPolarHBondContact CD1-O 3.46Å; K94-G96 PolarHBondContact O-N 2.79Å; K94-G96 VanDerWaalsContact O-N 3.16Å; K94-D97 PolarHBondContact N-OD2 2.82Å; K94-D97 WeakPolarHBondContact O-CB 3.21Å; K94-D97 PolarHBondContact O-N 3.24Å
95	L	95.7	Very high	96.9	Very high	128 Å²	128	65.1 Å²	65.1	67%	0.67	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	122.9	175.1	174.8	69.6	0	0	0	109.9	Y75 V76 P77	Y75-L95 WeakPolarHBondContact O-CA 3.44Å; V76-L95 HydrophobicContact CB-CD1 4.43Å; V76-L95 HydrophobicContact CG1-CD1 4.26Å; V76-L95 HydrophobicContact CG2-CD1 4.24Å; P77-L95 HydrophobicContact CG-CB 4.35Å
96	G	96.5	Very high	97	Very high	43 Å²	43	63.1 Å²	63.1	44%	0.443	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.6	-5.8	-179.7	0	0	0	0	0	115.3	Y75 K94 E98	Y75-G96 PolarHBondContact O-N 3.31Å; K94-G96 PolarHBondContact O-N 2.79Å; K94-G96 VanDerWaalsContact O-N 3.16Å; G96-E98 PolarHBondContact O-N 3.44Å
97	D	97.7	Very high	96.9	Very high	40 Å²	40	63.7 Å²	63.7	21%	0.214	34%	0.339	C	S	.	.			trans	-62.4	134.7	175.4	-75.3	-3.5	0	0	0	110.6	N74 Y75 K94 V99 H109	N74-D97 CarbonylContact C-O 3.59Å; N74-D97 WeakPolarHBondContact CA-O 3.3Å; Y75-D97 WeakPolarHBondContact CB-O 3.34Å; Y75-D97 PolarHBondContact N-O 3.21Å; K94-D97 PolarHBondContact N-OD2 2.82Å; K94-D97 WeakPolarHBondContact O-CB 3.21Å; K94-D97 PolarHBondContact O-N 3.24Å; D97-V99 HydrophobicContact CB-CG1 4.33Å; D97-V99 PolarHBondContact O-N 3.07Å; D97-H109 IonicContact OD2-CD2 3.9Å; D97-H109 IonicContact OD2-NE2 2.68Å; D97-H109 PolarHBondContact OD2-NE2 3.43Å
98	E	98.3	Very high	97	Very high	88 Å²	88	60.2 Å²	60.2	41%	0.411	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	117.1	170	-72.4	-172.7	104.3	0	0	109.6	G96 R110	G96-E98 PolarHBondContact O-N 3.44Å; E98-R110 HydrophobicContact CB-CB 3.98Å; E98-R110 PolarHBondContact O-N 2.86Å; E98-R110 IonicContact OE1-CZ 3.09Å; E98-R110 IonicContact OE1-NH1 3.77Å; E98-R110 PolarHBondContact OE1-NH1 3.28Å; E98-R110 IonicContact OE2-NH1 3.75Å
99	V	98.1	Very high	97	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	146.5	-178.1	-66.6	0	0	0	0	111.7	L72 T73 Y75 L93 D97 Y101 T107 Y108	L72-V99 WeakPolarHBondContact CD1-O 3.42Å; T73-V99 HydrophobicContact CG2-CG2 4.14Å; T73-V99 PolarHBondContact N-O 3.42Å; T73-V99 WeakPolarHBondContact O-CG2 3.41Å; T73-V99 PolarHBondContact O-N 3.32Å; Y75-V99 HydrophobicContact CD2-CG1 4.47Å; Y75-V99 HydrophobicContact CD2-CG2 4.28Å; Y75-V99 HydrophobicContact CG-CG1 4.36Å; L93-V99 HydrophobicContact CD1-CG1 4.22Å; L93-V99 HydrophobicContact CD2-CG1 3.9Å; D97-V99 HydrophobicContact CB-CG1 4.33Å; D97-V99 PolarHBondContact O-N 3.07Å; V99-Y101 HydrophobicContact CG2-CE2 3.81Å; V99-T107 HydrophobicContact CB-CG2 3.73Å; V99-T107 HydrophobicContact CG1-CG2 4.22Å; V99-T107 HydrophobicContact CG2-CG2 3.92Å; V99-Y108 CarbonylContact C-O 3.59Å; V99-Y108 WeakPolarHBondContact CA-O 3.47Å; V99-Y108 VanDerWaalsContact CB-O 3.29Å; V99-Y108 WeakPolarHBondContact CB-O 3.29Å
100	R	97.8	Very high	97	Very high	15 Å²	15	61.3 Å²	61.3	6%	0.057	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.4	174.5	-176.1	-176.2	-61.2	-81.7	17.3	110.3	L67 L70 P71 Y108 I113 D114	L67-R100 PolarHBondContact O-NH1 3.25Å; L70-R100 HydrophobicContact CB-CG 3.67Å; L70-R100 HydrophobicContact CD1-CG 4.39Å; L70-R100 PolarHBondContact O-NH1 2.74Å; P71-R100 VanDerWaalsContact O-CA 3.29Å; P71-R100 WeakPolarHBondContact O-CA 3.21Å; P71-R100 WeakPolarHBondContact O-CG 3.48Å; R100-Y108 PolarHBondContact N-O 2.89Å; R100-Y108 PolarHBondContact O-N 3.3Å; R100-I113 HydrophobicContact CB-CG2 3.74Å; R100-I113 HydrophobicContact CG-CG2 4.35Å; R100-D114 IonicContact CZ-OD1 2.66Å; R100-D114 IonicContact NE-OD1 3.54Å; R100-D114 PolarHBondContact NE-OD1 3.08Å; R100-D114 IonicContact NH2-OD1 2.85Å; R100-D114 PolarHBondContact NH2-OD1 3.47Å; R100-D114 IonicContact NH2-OD2 2.93Å; R100-D114 PolarHBondContact NH2-OD2 3.12Å
101	Y	96.6	Very high	97	Very high	69 Å²	69	59.7 Å²	59.7	27%	0.271	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	133.8	174.3	-68.2	-101	0	0	0	109.5	P71 T73 V99 T107	P71-Y101 WeakPolarHBondContact CD-O 3.24Å; P71-Y101 PolarHBondContact O-N 2.95Å; T73-Y101 HydrophobicContact CG2-CD2 3.98Å; T73-Y101 HydrophobicContact CG2-CE2 3.41Å; T73-Y101 VanDerWaalsContact CG2-CE2 3.41Å; V99-Y101 HydrophobicContact CG2-CE2 3.81Å; Y101-T107 HydrophobicContact CD1-CG2 4.25Å; Y101-T107 VanDerWaalsContact CD1-OG1 3.22Å; Y101-T107 WeakPolarHBondContact CD1-OG1 3.37Å; Y101-T107 HydrophobicContact CD2-CG2 4.38Å; Y101-T107 HydrophobicContact CE1-CG2 3.91Å; Y101-T107 WeakPolarHBondContact CE1-OG1 3.47Å; Y101-T107 HydrophobicContact CE2-CG2 4Å; Y101-T107 HydrophobicContact CG-CG2 4.49Å
102	L	96.7	Very high	97	Very high	3 Å²	3	56.1 Å²	56.1	2%	0.016	29%	0.292	C	S	.	.			trans	-87.1	162.8	170.6	-56.8	-175.3	0	0	0	110.5	L70 C104 L105 H106 Y108 I113 L117 C123 L130	L70-L102 HydrophobicContact CD1-CD2 3.78Å; L70-L102 HydrophobicContact CD2-CD2 4.38Å; L102-C104 PolarHBondContact O-N 3.09Å; L102-C104 VanDerWaalsContact O-N 3.13Å; L102-L105 WeakPolarHBondContact O-CA 3.5Å; L102-L105 PolarHBondContact O-N 3.42Å; L102-H106 PolarHBondContact N-O 2.95Å; L102-Y108 HydrophobicContact CD1-CD2 4.33Å; L102-Y108 HydrophobicContact CD1-CE2 3.56Å; L102-Y108 HydrophobicContact CG-CD2 4.38Å; L102-Y108 HydrophobicContact CG-CE2 3.99Å; L102-I113 HydrophobicContact CD1-CD1 4.24Å; L102-I113 HydrophobicContact CD2-CD1 4.46Å; L102-I113 HydrophobicContact CD2-CG1 4.05Å; L102-L117 HydrophobicContact CD2-CD1 4.04Å; L102-C123 HydrophobicContact CD1-CB 3.85Å; L102-L130 HydrophobicContact CB-CD1 4.38Å; L102-L130 HydrophobicContact CD1-CD1 3.88Å; L102-L130 HydrophobicContact CD2-CD1 3.76Å; L102-L130 HydrophobicContact CG-CD1 4.2Å
103	P	94.8	Very high	97	Very high	92 Å²	92	52 Å²	52	60%	0.597	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-27.5	174.6	-26.2	35.1	0	0	0	113.9	L70 L105 L130	L70-P103 HydrophobicContact CD2-CG 4.18Å; P103-L105 PolarHBondContact O-N 3.08Å; P103-L130 HydrophobicContact CG-CD2 4.29Å
104	C	96.7	Very high	97	Very high	32 Å²	32	53.4 Å²	53.4	22%	0.216	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	9	172.8	57.1	0	0	0	0	114.5	L102 H106 C123 C126 L128	L102-C104 PolarHBondContact O-N 3.09Å; L102-C104 VanDerWaalsContact O-N 3.13Å; C104-H106 PolarHBondContact O-N 3.41Å; C104-H106 PolarHBondContact SG-ND1 3.15Å; C104-C123 PolarHBondContact SG-SG 2.77Å; C104-C126 VanDerWaalsContact SG-SG 3.67Å; C104-L128 HydrophobicContact CB-CD2 3.76Å
105	L	94.9	Very high	96.9	Very high	120 Å²	120	51.2 Å²	51.2	63%	0.628	27%	0.27	S	S	*	.			trans	66.1	9.6	178.3	-52.1	175.9	0	0	0	116.2	L102 P103	L102-L105 WeakPolarHBondContact O-CA 3.5Å; L102-L105 PolarHBondContact O-N 3.42Å; P103-L105 PolarHBondContact O-N 3.08Å
106	H	97.1	Very high	96.9	Very high	57 Å²	57	49.7 Å²	49.7	26%	0.264	26%	0.255	S	S	.	.			trans	-73.1	143.1	167.7	-65.3	107.7	0	0	0	110.8	L102 C104 Y108 C123 T125 C126	L102-H106 PolarHBondContact N-O 2.95Å; C104-H106 PolarHBondContact O-N 3.41Å; C104-H106 PolarHBondContact SG-ND1 3.15Å; H106-Y108 HydrophobicContact CB-CE2 3.66Å; H106-C123 PolarHBondContact ND1-SG 2.99Å; H106-C123 VanDerWaalsContact ND1-SG 3.41Å; H106-T125 VanDerWaalsContact CD2-CG2 3.44Å; H106-T125 WeakPolarHBondContact CD2-CG2 3.22Å; H106-T125 VanDerWaalsContact NE2-CG2 3.26Å; H106-T125 WeakPolarHBondContact NE2-CG2 3.01Å; H106-C126 VanDerWaalsContact CE1-SG 3.6Å
107	T	97.2	Very high	96.9	Very high	13 Å²	13	47.7 Å²	47.7	8%	0.08	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.2	-172.3	-46.7	0	0	0	0	110.1	L93 V99 Y101	L93-T107 HydrophobicContact CD1-CG2 3.95Å; V99-T107 HydrophobicContact CB-CG2 3.73Å; V99-T107 HydrophobicContact CG1-CG2 4.22Å; V99-T107 HydrophobicContact CG2-CG2 3.92Å; Y101-T107 HydrophobicContact CD1-CG2 4.25Å; Y101-T107 VanDerWaalsContact CD1-OG1 3.22Å; Y101-T107 WeakPolarHBondContact CD1-OG1 3.37Å; Y101-T107 HydrophobicContact CD2-CG2 4.38Å; Y101-T107 HydrophobicContact CE1-CG2 3.91Å; Y101-T107 WeakPolarHBondContact CE1-OG1 3.47Å; Y101-T107 HydrophobicContact CE2-CG2 4Å; Y101-T107 HydrophobicContact CG-CG2 4.49Å
108	Y	98.5	Very high	96.6	Very high	1 Å²	1	46.3 Å²	46.3	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	161.9	-178.8	-51.4	-95.6	0	0	0	109.5	I87 I88 V99 R100 L102 H106 R110 I113 C123 P124 T125	I87-Y108 HydrophobicContact CD1-CE1 4.2Å; I87-Y108 HydrophobicContact CG1-CD1 4.28Å; I87-Y108 HydrophobicContact CG1-CE1 3.63Å; I88-Y108 HydrophobicContact CD1-CD1 3.66Å; I88-Y108 HydrophobicContact CD1-CE1 4.23Å; I88-Y108 HydrophobicContact CD1-CG 4.15Å; I88-Y108 HydrophobicContact CG1-CD1 3.85Å; I88-Y108 HydrophobicContact CG1-CE1 4.21Å; V99-Y108 CarbonylContact C-O 3.59Å; V99-Y108 WeakPolarHBondContact CA-O 3.47Å; V99-Y108 VanDerWaalsContact CB-O 3.29Å; V99-Y108 WeakPolarHBondContact CB-O 3.29Å; R100-Y108 PolarHBondContact N-O 2.89Å; R100-Y108 PolarHBondContact O-N 3.3Å; L102-Y108 HydrophobicContact CD1-CD2 4.33Å; L102-Y108 HydrophobicContact CD1-CE2 3.56Å; L102-Y108 HydrophobicContact CG-CD2 4.38Å; L102-Y108 HydrophobicContact CG-CE2 3.99Å; H106-Y108 HydrophobicContact CB-CE2 3.66Å; Y108-R110 PolarHBondContact O-N 2.93Å; Y108-I113 HydrophobicContact CD2-CB 4.16Å; Y108-I113 HydrophobicContact CD2-CD1 3.84Å; Y108-I113 HydrophobicContact CD2-CG1 3.88Å; Y108-I113 HydrophobicContact CE2-CD1 4.03Å; Y108-I113 HydrophobicContact CE2-CG1 4.47Å; Y108-I113 HydrophobicContact CG-CB 4.04Å; Y108-I113 HydrophobicContact CG-CD1 4.15Å; Y108-I113 HydrophobicContact CG-CG1 4.22Å; Y108-C123 PolarHBondContact OH-SG 3.16Å; Y108-P124 HydrophobicContact CE1-CB 3.92Å; Y108-P124 HydrophobicContact CE1-CG 3.85Å; Y108-P124 WeakPolarHBondContact OH-CD 3.31Å; Y108-T125 WeakPolarHBondContact OH-CB 3.47Å; Y108-T125 PolarHBondContact OH-N 3.02Å; Y108-T125 VanDerWaalsContact OH-N 3.12Å; Y108-T125 PolarHBondContact OH-OG1 2.85Å
109	H	98.4	Very high	96.3	Very high	33 Å²	33	46.5 Å²	46.5	15%	0.153	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.6	135.9	164	-67.8	113.9	0	0	0	110	C86 C89 D97 I111 C112 I113	C86-H109 VanDerWaalsContact CB-ND1 3.33Å; C86-H109 WeakPolarHBondContact CB-ND1 3.24Å; C89-H109 PolarHBondContact SG-ND1 3.03Å; C89-H109 VanDerWaalsContact SG-ND1 3.42Å; D97-H109 IonicContact OD2-CD2 3.9Å; D97-H109 IonicContact OD2-NE2 2.68Å; D97-H109 PolarHBondContact OD2-NE2 3.43Å; H109-I111 VanDerWaalsContact C-N 3.32Å; H109-I111 PolarHBondContact O-N 3.37Å; H109-C112 HydrophobicContact CB-CB 4.08Å; H109-C112 PolarHBondContact O-N 3.22Å; H109-C112 VanDerWaalsContact O-N 3.15Å; H109-I113 WeakPolarHBondContact O-CG2 3.36Å; H109-I113 PolarHBondContact O-N 3.11Å; H109-I113 VanDerWaalsContact O-N 3.08Å
110	R	97.7	Very high	96.1	Very high	90 Å²	90	48.4 Å²	48.4	34%	0.34	24%	0.236	S	C	.	.	H	α-helix	trans	-47.1	-54.3	178.6	174.3	-170.9	170.7	-179.3	-5.1	111.6	L72 E98 Y108 C112 I113 D114	L72-R110 HydrophobicContact CD1-CB 3.78Å; L72-R110 HydrophobicContact CD1-CG 3.7Å; E98-R110 HydrophobicContact CB-CB 3.98Å; E98-R110 PolarHBondContact O-N 2.86Å; E98-R110 IonicContact OE1-CZ 3.09Å; E98-R110 IonicContact OE1-NH1 3.77Å; E98-R110 PolarHBondContact OE1-NH1 3.28Å; E98-R110 IonicContact OE2-NH1 3.75Å; Y108-R110 PolarHBondContact O-N 2.93Å; R110-C112 PolarHBondContact O-N 3.44Å; R110-I113 WeakPolarHBondContact O-CG2 3.31Å; R110-I113 PolarHBondContact O-N 2.79Å; R110-D114 IonicContact NE-OD2 3.48Å; R110-D114 VanDerWaalsContact O-CB 3.23Å; R110-D114 WeakPolarHBondContact O-CB 3.29Å; R110-D114 PolarHBondContact O-N 2.66Å
111	I	96.8	Very high	95.9	Very high	113 Å²	113	48.4 Å²	48.4	58%	0.579	24%	0.237	S	C	*	.	H	α-helix	trans	-59	-47.8	-177.3	-58.8	174	0	0	0	110.8	H109 I113 D114 E115	H109-I111 VanDerWaalsContact C-N 3.32Å; H109-I111 PolarHBondContact O-N 3.37Å; I111-I113 PolarHBondContact O-N 2.86Å; I111-D114 PolarHBondContact O-N 2.75Å; I111-E115 WeakPolarHBondContact O-CG 3.5Å; I111-E115 PolarHBondContact O-N 3.49Å; I111-E115 VanDerWaalsContact O-N 3.09Å
112	C	97.9	Very high	95.8	Very high	24 Å²	24	46.4 Å²	46.4	16%	0.162	23%	0.233	C	C	.	.	H	α-helix	trans	-62	-45	-176.5	-63	0	0	0	0	112.6	I88 H109 R110 W116	I88-C112 HydrophobicContact CB-CB 3.9Å; I88-C112 HydrophobicContact CD1-CB 3.94Å; I88-C112 WeakPolarHBondContact CD1-O 3.35Å; I88-C112 HydrophobicContact CG2-CB 3.8Å; H109-C112 HydrophobicContact CB-CB 4.08Å; H109-C112 PolarHBondContact O-N 3.22Å; H109-C112 VanDerWaalsContact O-N 3.15Å; R110-C112 PolarHBondContact O-N 3.44Å; C112-W116 PolarHBondContact O-N 3.16Å
113	I	97.2	Very high	95.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-80.4	-30	-178.5	-169	62.5	0	0	0	112.7	I88 R100 L102 Y108 H109 R110 I111 W116 L117 P124	I88-I113 HydrophobicContact CD1-CB 4.1Å; I88-I113 HydrophobicContact CD1-CD1 3.97Å; R100-I113 HydrophobicContact CB-CG2 3.74Å; R100-I113 HydrophobicContact CG-CG2 4.35Å; L102-I113 HydrophobicContact CD1-CD1 4.24Å; L102-I113 HydrophobicContact CD2-CD1 4.46Å; L102-I113 HydrophobicContact CD2-CG1 4.05Å; Y108-I113 HydrophobicContact CD2-CB 4.16Å; Y108-I113 HydrophobicContact CD2-CD1 3.84Å; Y108-I113 HydrophobicContact CD2-CG1 3.88Å; Y108-I113 HydrophobicContact CE2-CD1 4.03Å; Y108-I113 HydrophobicContact CE2-CG1 4.47Å; Y108-I113 HydrophobicContact CG-CB 4.04Å; Y108-I113 HydrophobicContact CG-CD1 4.15Å; Y108-I113 HydrophobicContact CG-CG1 4.22Å; H109-I113 WeakPolarHBondContact O-CG2 3.36Å; H109-I113 PolarHBondContact O-N 3.11Å; H109-I113 VanDerWaalsContact O-N 3.08Å; R110-I113 WeakPolarHBondContact O-CG2 3.31Å; R110-I113 PolarHBondContact O-N 2.79Å; I111-I113 PolarHBondContact O-N 2.86Å; I113-W116 HydrophobicContact CD1-CB 4.31Å; I113-W116 HydrophobicContact CD1-CG 4.38Å; I113-W116 PolarHBondContact O-N 2.9Å; I113-L117 HydrophobicContact CD1-CD1 4.23Å; I113-L117 HydrophobicContact CD1-CD2 4.48Å; I113-L117 HydrophobicContact CD1-CG 4.06Å; I113-L117 HydrophobicContact CG1-CD1 3.74Å; I113-L117 HydrophobicContact CG1-CG 4.04Å; I113-L117 VanDerWaalsContact O-CB 3.3Å; I113-L117 WeakPolarHBondContact O-CB 3.23Å; I113-L117 WeakPolarHBondContact O-CG 3.33Å; I113-L117 PolarHBondContact O-N 3.2Å; I113-P124 HydrophobicContact CD1-CG 3.82Å
114	D	96	Very high	96	Very high	30 Å²	30	43 Å²	43	16%	0.16	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-46.9	173.9	-72	5.4	0	0	0	110.3	L67 R100 R110 I111 W116 L117 M118	L67-D114 HydrophobicContact CD1-CB 4.41Å; L67-D114 HydrophobicContact CD2-CB 4.39Å; L67-D114 WeakPolarHBondContact CD2-OD1 3.17Å; R100-D114 IonicContact CZ-OD1 2.66Å; R100-D114 IonicContact NE-OD1 3.54Å; R100-D114 PolarHBondContact NE-OD1 3.08Å; R100-D114 IonicContact NH2-OD1 2.85Å; R100-D114 PolarHBondContact NH2-OD1 3.47Å; R100-D114 IonicContact NH2-OD2 2.93Å; R100-D114 PolarHBondContact NH2-OD2 3.12Å; R110-D114 IonicContact NE-OD2 3.48Å; R110-D114 VanDerWaalsContact O-CB 3.23Å; R110-D114 WeakPolarHBondContact O-CB 3.29Å; R110-D114 PolarHBondContact O-N 2.66Å; I111-D114 PolarHBondContact O-N 2.75Å; D114-W116 VanDerWaalsContact C-N 3.33Å; D114-W116 PolarHBondContact O-N 3.06Å; D114-L117 PolarHBondContact O-N 3.41Å; D114-M118 WeakPolarHBondContact O-CG 3.34Å; D114-M118 PolarHBondContact O-N 3.47Å
115	E	94.9	Very high	96	Very high	85 Å²	85	44.7 Å²	44.7	40%	0.397	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-37.5	176.1	-73.6	-177.6	-170.3	0	0	113.2	I111 R119	I111-E115 WeakPolarHBondContact O-CG 3.5Å; I111-E115 PolarHBondContact O-N 3.49Å; I111-E115 VanDerWaalsContact O-N 3.09Å; E115-R119 PolarHBondContact O-NH1 2.99Å
116	W	95.8	Very high	96.2	Very high	96 Å²	96	41.7 Å²	41.7	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-64.9	-48.2	175.9	176	-83.8	0	0	0	111.4	I88 C112 I113 D114 M118 R119 S120 S122 P124	I88-W116 HydrophobicContact CD1-CB 4.23Å; C112-W116 PolarHBondContact O-N 3.16Å; I113-W116 HydrophobicContact CD1-CB 4.31Å; I113-W116 HydrophobicContact CD1-CG 4.38Å; I113-W116 PolarHBondContact O-N 2.9Å; D114-W116 VanDerWaalsContact C-N 3.33Å; D114-W116 PolarHBondContact O-N 3.06Å; W116-M118 PolarHBondContact O-N 3.36Å; W116-R119 WeakPolarHBondContact O-CA 3.36Å; W116-R119 PolarHBondContact O-N 2.83Å; W116-S120 PolarHBondContact O-N 3.28Å; W116-S122 PolarHBondContact NE1-O 2.86Å; W116-P124 HydrophobicContact CD2-CG 3.83Å; W116-P124 HydrophobicContact CE3-CG 4.47Å; W116-P124 HydrophobicContact CG-CG 3.96Å; W116-P124 HydrophobicContact CZ2-CB 4.29Å; W116-P124 HydrophobicContact CZ2-CG 4.16Å
117	L	95.3	Very high	96.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-70.2	-18.6	-177.4	-69.7	175.3	0	0	0	113	R63 M66 L67 L70 L102 I113 D114 R119 S120 L130	R63-L117 WeakPolarHBondContact CD-O 3.47Å; M66-L117 HydrophobicContact CE-CB 3.82Å; M66-L117 HydrophobicContact CE-CD1 3.67Å; M66-L117 HydrophobicContact CE-CD2 4.02Å; M66-L117 HydrophobicContact CE-CG 4.02Å; L67-L117 HydrophobicContact CD2-CB 3.76Å; L67-L117 HydrophobicContact CD2-CD1 3.53Å; L67-L117 HydrophobicContact CD2-CG 4.28Å; L67-L117 HydrophobicContact CG-CB 4.37Å; L70-L117 HydrophobicContact CD1-CD1 3.5Å; L70-L117 VanDerWaalsContact CD1-CD1 3.5Å; L102-L117 HydrophobicContact CD2-CD1 4.04Å; I113-L117 HydrophobicContact CD1-CD1 4.23Å; I113-L117 HydrophobicContact CD1-CD2 4.48Å; I113-L117 HydrophobicContact CD1-CG 4.06Å; I113-L117 HydrophobicContact CG1-CD1 3.74Å; I113-L117 HydrophobicContact CG1-CG 4.04Å; I113-L117 VanDerWaalsContact O-CB 3.3Å; I113-L117 WeakPolarHBondContact O-CB 3.23Å; I113-L117 WeakPolarHBondContact O-CG 3.33Å; I113-L117 PolarHBondContact O-N 3.2Å; D114-L117 PolarHBondContact O-N 3.41Å; L117-R119 PolarHBondContact O-N 2.81Å; L117-S120 WeakPolarHBondContact CA-O 3.45Å; L117-S120 WeakPolarHBondContact CD2-O 3.36Å; L117-L130 HydrophobicContact CD2-CD1 3.85Å
118	M	92.3	Very high	96.1	Very high	11 Å²	11	48.8 Å²	48.8	5%	0.054	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-16.3	165.8	-77	-58.4	-61.3	0	0	113.6	R63 I64 L67 D114 W116	R63-M118 HydrophobicContact CB-SD 4.03Å; R63-M118 VanDerWaalsContact CD-C 3.5Å; R63-M118 WeakPolarHBondContact CD-O 3.46Å; R63-M118 PolarHBondContact NE-O 3.11Å; I64-M118 HydrophobicContact CG1-SD 4.46Å; L67-M118 HydrophobicContact CD1-CG 4.36Å; L67-M118 HydrophobicContact CD1-SD 4.2Å; D114-M118 WeakPolarHBondContact O-CG 3.34Å; D114-M118 PolarHBondContact O-N 3.47Å; W116-M118 PolarHBondContact O-N 3.36Å
119	R	91.3	Very high	95.9	Very high	93 Å²	93	52.9 Å²	52.9	35%	0.351	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-32.6	-179.4	-61.2	-178.1	-177.5	77.1	39.4	113.8	I41 P43 E115 W116 L117	I41-R119 PolarHBondContact O-NE 2.85Å; I41-R119 PolarHBondContact O-NH2 3.07Å; I41-R119 VanDerWaalsContact O-NH2 3.07Å; P43-R119 VanDerWaalsContact CD-CZ 3.46Å; P43-R119 VanDerWaalsContact CD-NH2 3.32Å; E115-R119 PolarHBondContact O-NH1 2.99Å; W116-R119 WeakPolarHBondContact O-CA 3.36Å; W116-R119 PolarHBondContact O-N 2.83Å; L117-R119 PolarHBondContact O-N 2.81Å
120	S	93.7	Very high	95.6	Very high	39 Å²	39	52.2 Å²	52.2	27%	0.273	27%	0.266	S	S	.	.			trans	-143.8	131.4	-176.1	-176.3	0	0	0	0	111.2	W116 L117 S122	W116-S120 PolarHBondContact O-N 3.28Å; L117-S120 WeakPolarHBondContact CA-O 3.45Å; L117-S120 WeakPolarHBondContact CD2-O 3.36Å; S120-S122 PolarHBondContact O-N 3Å; S120-S122 PolarHBondContact OG-N 3.47Å; S120-S122 PolarHBondContact OG-OG 3.21Å
121	F	93.6	Very high	95.2	Very high	16 Å²	16	51.5 Å²	51.5	7%	0.07	27%	0.267	C	S	.	.	S	Bend	trans	-77.3	10.3	171.4	-71.2	-63.2	0	0	0	113.6	E59 K62 R63 M66 N129 L130 E131	E59-F121 WeakPolarHBondContact OE1-CE2 3.39Å; K62-F121 HydrophobicContact CB-CZ 4.33Å; R63-F121 HydrophobicContact CB-CE1 4.35Å; R63-F121 HydrophobicContact CB-CZ 4.19Å; R63-F121 HydrophobicContact CG-CE1 3.7Å; R63-F121 HydrophobicContact CG-CE2 3.95Å; R63-F121 HydrophobicContact CG-CZ 3.27Å; M66-F121 HydrophobicContact CB-CE1 4.15Å; M66-F121 HydrophobicContact CE-CD1 3.9Å; M66-F121 HydrophobicContact CE-CE1 3.96Å; M66-F121 HydrophobicContact CG-CE1 4.44Å; M66-F121 HydrophobicContact SD-CD1 3.41Å; M66-F121 WeakPolarHBondContact SD-CD1 3.48Å; M66-F121 HydrophobicContact SD-CE1 3.67Å; F121-N129 WeakPolarHBondContact CB-OD1 3.42Å; F121-N129 PolarHBondContact O-OD1 2.76Å; F121-L130 WeakPolarHBondContact O-CA 3.29Å; F121-L130 WeakPolarHBondContact O-CB 3.26Å; F121-L130 VanDerWaalsContact O-CG 3.24Å; F121-L130 WeakPolarHBondContact O-CG 3.44Å; F121-L130 PolarHBondContact O-N 2.97Å; F121-E131 HydrophobicContact CB-CB 4.19Å; F121-E131 HydrophobicContact CD2-CB 4.22Å; F121-E131 HydrophobicContact CD2-CG 4.34Å; F121-E131 HydrophobicContact CG-CB 4.17Å
122	S	95.7	Very high	94.1	Very high	26 Å²	26	50.5 Å²	50.5	18%	0.182	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-94.5	142.9	-178.7	67.1	0	0	0	0	112.4	W116 S120 P124 L128	W116-S122 PolarHBondContact NE1-O 2.86Å; S120-S122 PolarHBondContact O-N 3Å; S120-S122 PolarHBondContact OG-N 3.47Å; S120-S122 PolarHBondContact OG-OG 3.21Å; S122-P124 WeakPolarHBondContact O-CD 3.21Å; S122-L128 CarbonylContact C-O 3.57Å; S122-L128 WeakPolarHBondContact CA-O 3.43Å
123	C	97.5	Very high	92.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.287	C	S	.	.			trans	-65.5	124.7	169.9	174.8	0	0	0	0	110.8	L102 C104 H106 Y108 T125 C126 L127 L128	L102-C123 HydrophobicContact CD1-CB 3.85Å; C104-C123 PolarHBondContact SG-SG 2.77Å; H106-C123 PolarHBondContact ND1-SG 2.99Å; H106-C123 VanDerWaalsContact ND1-SG 3.41Å; Y108-C123 PolarHBondContact OH-SG 3.16Å; C123-T125 PolarHBondContact O-N 2.86Å; C123-T125 VanDerWaalsContact O-N 3.16Å; C123-T125 PolarHBondContact SG-N 3.23Å; C123-C126 PolarHBondContact SG-SG 3.49Å; C123-L127 VanDerWaalsContact O-CA 3.23Å; C123-L127 WeakPolarHBondContact O-CA 3.41Å; C123-L127 PolarHBondContact O-N 3.07Å; C123-L128 HydrophobicContact CB-CB 4.45Å; C123-L128 PolarHBondContact N-O 3.13Å
124	P	97.5	Very high	90.7	Very high	24 Å²	24	61.2 Å²	61.2	16%	0.156	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-31.7	177.5	-24.3	29.1	0	0	0	114.6	I87 I88 Y108 I113 W116 S122	I87-P124 HydrophobicContact CD1-CB 3.82Å; I87-P124 HydrophobicContact CG1-CB 4.39Å; I88-P124 HydrophobicContact CD1-CG 4.07Å; I88-P124 HydrophobicContact CG1-CB 4.45Å; I88-P124 HydrophobicContact CG1-CG 4.2Å; Y108-P124 HydrophobicContact CE1-CB 3.92Å; Y108-P124 HydrophobicContact CE1-CG 3.85Å; Y108-P124 WeakPolarHBondContact OH-CD 3.31Å; I113-P124 HydrophobicContact CD1-CG 3.82Å; W116-P124 HydrophobicContact CD2-CG 3.83Å; W116-P124 HydrophobicContact CE3-CG 4.47Å; W116-P124 HydrophobicContact CG-CG 3.96Å; W116-P124 HydrophobicContact CZ2-CB 4.29Å; W116-P124 HydrophobicContact CZ2-CG 4.16Å; S122-P124 WeakPolarHBondContact O-CD 3.21Å
125	T	97.4	Very high	88.3	Confident	67 Å²	67	63.9 Å²	63.9	41%	0.411	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-42.9	-176.6	-56.3	0	0	0	0	113.9	I87 H106 Y108 C123	I87-T125 VanDerWaalsContact CD1-OG1 3.31Å; I87-T125 WeakPolarHBondContact CD1-OG1 3.45Å; H106-T125 VanDerWaalsContact CD2-CG2 3.44Å; H106-T125 WeakPolarHBondContact CD2-CG2 3.22Å; H106-T125 VanDerWaalsContact NE2-CG2 3.26Å; H106-T125 WeakPolarHBondContact NE2-CG2 3.01Å; Y108-T125 WeakPolarHBondContact OH-CB 3.47Å; Y108-T125 PolarHBondContact OH-N 3.02Å; Y108-T125 VanDerWaalsContact OH-N 3.12Å; Y108-T125 PolarHBondContact OH-OG1 2.85Å; C123-T125 PolarHBondContact O-N 2.86Å; C123-T125 VanDerWaalsContact O-N 3.16Å; C123-T125 PolarHBondContact SG-N 3.23Å
126	C	97.7	Very high	86.2	Confident	57 Å²	57	67.3 Å²	67.3	39%	0.385	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-0	-172.5	66.6	0	0	0	0	114.9	C104 H106 C123 L128	C104-C126 VanDerWaalsContact SG-SG 3.67Å; H106-C126 VanDerWaalsContact CE1-SG 3.6Å; C123-C126 PolarHBondContact SG-SG 3.49Å; C126-L128 PolarHBondContact O-N 3.21Å
127	L	96	Very high	83.7	Confident	133 Å²	133	68 Å²	68	70%	0.696	39%	0.385	S	S	*	.			trans	60.4	12.4	-180	-50.8	177.2	0	0	0	115	C123 N129	C123-L127 VanDerWaalsContact O-CA 3.23Å; C123-L127 WeakPolarHBondContact O-CA 3.41Å; C123-L127 PolarHBondContact O-N 3.07Å; L127-N129 PolarHBondContact O-N 3.31Å
128	L	96.1	Very high	81.2	Confident	86 Å²	86	73.1 Å²	73.1	45%	0.45	42%	0.417	S	S	.	.			trans	-60.3	129	172.6	180	67.5	0	0	0	109.9	C104 S122 C123 C126 L130	C104-L128 HydrophobicContact CB-CD2 3.76Å; S122-L128 CarbonylContact C-O 3.57Å; S122-L128 WeakPolarHBondContact CA-O 3.43Å; C123-L128 HydrophobicContact CB-CB 4.45Å; C123-L128 PolarHBondContact N-O 3.13Å; C126-L128 PolarHBondContact O-N 3.21Å; L128-L130 HydrophobicContact CD2-CD2 4.33Å; L128-L130 HydrophobicContact CG-CD2 4.42Å
129	N	95	Very high	79.1	Confident	88 Å²	88	79.4 Å²	79.4	47%	0.471	46%	0.456	S	S	.	.	B	Isolated β-bridge	trans	-71	130.1	171.3	-168.7	7.2	0	0	0	110.1	F121 L127 E131	F121-N129 WeakPolarHBondContact CB-OD1 3.42Å; F121-N129 PolarHBondContact O-OD1 2.76Å; L127-N129 PolarHBondContact O-N 3.31Å; N129-E131 WeakPolarHBondContact OD1-CB 3.46Å; N129-E131 PolarHBondContact OD1-N 3.24Å
130	L	92.8	Very high	77.3	Confident	18 Å²	18	80 Å²	80	9%	0.094	47%	0.47	C	S	.	.			trans	-104.6	-0.3	-179	-51.6	-177.9	0	0	0	112.6	M66 L102 P103 L117 F121 L128	M66-L130 HydrophobicContact SD-CB 3.91Å; L102-L130 HydrophobicContact CB-CD1 4.38Å; L102-L130 HydrophobicContact CD1-CD1 3.88Å; L102-L130 HydrophobicContact CD2-CD1 3.76Å; L102-L130 HydrophobicContact CG-CD1 4.2Å; P103-L130 HydrophobicContact CG-CD2 4.29Å; L117-L130 HydrophobicContact CD2-CD1 3.85Å; F121-L130 WeakPolarHBondContact O-CA 3.29Å; F121-L130 WeakPolarHBondContact O-CB 3.26Å; F121-L130 VanDerWaalsContact O-CG 3.24Å; F121-L130 WeakPolarHBondContact O-CG 3.44Å; F121-L130 PolarHBondContact O-N 2.97Å; L128-L130 HydrophobicContact CD2-CD2 4.33Å; L128-L130 HydrophobicContact CG-CD2 4.42Å
131	E	89	Confident	75.6	Confident	76 Å²	76	84.7 Å²	84.7	36%	0.355	50%	0.497	S	S	.	.	S	Bend	trans	-59.6	129.1	173.3	-168	174.7	-176.3	0	0	109	F121 N129 D133	F121-E131 HydrophobicContact CB-CB 4.19Å; F121-E131 HydrophobicContact CD2-CB 4.22Å; F121-E131 HydrophobicContact CD2-CG 4.34Å; F121-E131 HydrophobicContact CG-CB 4.17Å; N129-E131 WeakPolarHBondContact OD1-CB 3.46Å; N129-E131 PolarHBondContact OD1-N 3.24Å; E131-D133 PolarHBondContact O-N 2.82Å
132	P	74.3	Confident	73.4	Confident	92 Å²	92	90 Å²	90	60%	0.597	53%	0.53	S	S	*	.			trans	-65.5	105.8	177	25.4	-31.9	0	0	0	108.9	T134	P132-T134 PolarHBondContact O-N 3.37Å
133	D	68.9	Low	71.3	Confident	105 Å²	105	93.7 Å²	93.7	56%	0.561	56%	0.556	S	S	*	*			trans	-52.9	109.9	175.7	-73.6	-31.3	0	0	0	109.5	E131 S135	E131-D133 PolarHBondContact O-N 2.82Å; D133-S135 PolarHBondContact O-N 3.41Å; D133-S135 VanDerWaalsContact O-N 3.09Å
134	T	54.5	Low	69	Low	143 Å²	143	99.3 Å²	99.3	88%	0.877	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.1	13.3	164.3	-16.1	0	0	0	0	111.3	P132	P132-T134 PolarHBondContact O-N 3.37Å
135	S	44.1	Very low	67	Low	86 Å²	86	109.6 Å²	109.6	60%	0.601	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.2	31.1	-168.3	43.7	0	0	0	0	113.7	D133 T137	D133-S135 PolarHBondContact O-N 3.41Å; D133-S135 VanDerWaalsContact O-N 3.09Å; S135-T137 PolarHBondContact O-N 2.86Å; S135-T137 VanDerWaalsContact O-N 3.11Å
136	L	51.2	Low	64.9	Low	157 Å²	157	111.4 Å²	111.4	82%	0.822	64%	0.64	S	S	*	*			trans	-81	58.7	157.3	-71.5	173.8	0	0	0	110.5
137	T	42.8	Very low	62.8	Low	111 Å²	111	117 Å²	117	68%	0.681	66%	0.66	S	S	*	*			trans	-123	99	167.3	7.4	0	0	0	0	108.6	S135	S135-T137 PolarHBondContact O-N 2.86Å; S135-T137 VanDerWaalsContact O-N 3.11Å
138	T	43.3	Very low	60.9	Low	108 Å²	108	118.9 Å²	118.9	66%	0.663	67%	0.669	S	S	*	*			trans	79	70.6	148.4	-38.1	0	0	0	0	116.3	T140	T138-T140 HydrophobicContact CG2-CG2 3.78Å; T138-T140 PolarHBondContact O-N 3.36Å; T138-T140 VanDerWaalsContact O-N 3.07Å
139	T	49.5	Very low	58.3	Low	142 Å²	142	120 Å²	120	87%	0.871	68%	0.681	S	S	*	*			trans	-65.5	97.5	136	16.5	0	0	0	0	107.2	V141	T139-V141 PolarHBondContact O-N 3.26Å
140	T	51.9	Low	56	Low	106 Å²	106	123.4 Å²	123.4	65%	0.65	70%	0.699	S	S	*	*			trans	-50.4	111.1	169.4	30.4	0	0	0	0	109.4	T138 T142	T138-T140 HydrophobicContact CG2-CG2 3.78Å; T138-T140 PolarHBondContact O-N 3.36Å; T138-T140 VanDerWaalsContact O-N 3.07Å; T140-T142 VanDerWaalsContact C-N 3.28Å; T140-T142 PolarHBondContact O-N 2.84Å; T140-T142 PolarHBondContact O-OG1 3.04Å
141	V	58.5	Low	53.8	Low	138 Å²	138	127.3 Å²	127.3	84%	0.836	73%	0.728	S	S	*	*			trans	-58.2	96	163.7	178.2	0	0	0	0	107	T139	T139-V141 PolarHBondContact O-N 3.26Å
142	T	47.3	Very low	52.3	Low	126 Å²	126	128.2 Å²	128.2	77%	0.773	74%	0.742	S	S	*	*			trans	-91.2	102.3	170.4	-41.8	0	0	0	0	105.8	T140	T140-T142 VanDerWaalsContact C-N 3.28Å; T140-T142 PolarHBondContact O-N 2.84Å; T140-T142 PolarHBondContact O-OG1 3.04Å
143	S	53	Low	51.3	Low	104 Å²	104	131.9 Å²	131.9	73%	0.727	75%	0.751	S	S	*	*			trans	-149.2	149.4	170.8	-94.9	0	0	0	0	111.2
144	P	47.2	Very low	50.6	Low	118 Å²	118	133.7 Å²	133.7	77%	0.766	76%	0.761	S	S	*	*				-112.3	145.9	-127.4	35.7	-27.4	0	0	0	113.5
145	R	56.1	Low	50.2	Low	241 Å²	241	132 Å²	132	91%	0.909	75%	0.751	S	S	*	*			trans	-169.8	127.2	154.8	-114.8	175.3	96.9	139.4	-4.5	115.6
146	T	54.4	Low	50.7	Low	105 Å²	105	134.8 Å²	134.8	64%	0.644	76%	0.757	S	S	*	*			trans	78.7	88.8	138.4	-39.2	0	0	0	0	120.6
147	Q	52.2	Low	50.7	Low	175 Å²	175	133.3 Å²	133.3	82%	0.818	76%	0.755	S	S	*	*				27	119.9	129.1	-59.5	-179.5	-1.4	0	0	119.7
148	I	57.1	Low	50.9	Low	171 Å²	171	133.2 Å²	133.2	88%	0.877	76%	0.756	S	S	*	*				-145.8	126	127.4	-53.9	-177.1	0	0	0	108.3
149	P	41.7	Very low	51.4	Low	110 Å²	110	133.9 Å²	133.9	71%	0.714	76%	0.76	S	S	*	*			trans	-98.9	144.4	178.3	35.8	-27.9	0	0	0	111.7
150	L	45.5	Very low	51.6	Low	160 Å²	160	135.2 Å²	135.2	84%	0.838	76%	0.757	S	S	*	*			trans	-160.1	115.2	155.2	-147.9	58.8	0	0	0	111.8
151	S	47.5	Very low	51.6	Low	100 Å²	100	135 Å²	135	70%	0.699	76%	0.755	S	S	*	*			trans	44.1	135	137	-36.3	0	0	0	0	119.1
152	S	57.1	Low	50.8	Low	94 Å²	94	134.4 Å²	134.4	66%	0.657	76%	0.756	S	S	*	*			cis	-178.2	139.1	21.2	26	0	0	0	0	109.1
153	E	52.9	Low	50.7	Low	169 Å²	169	132.1 Å²	132.1	79%	0.79	76%	0.757	S	S	*	*			trans	56.8	111.7	138.1	-69.3	156.5	101.1	0	0	122
154	N	54.3	Low	50.6	Low	144 Å²	144	132.9 Å²	132.9	77%	0.77	76%	0.763	S	S	*	*				-175.4	112.5	100.7	-100.9	-18.7	0	0	0	110.3
155	T	45.5	Very low	51.1	Low	108 Å²	108	133 Å²	133	66%	0.663	76%	0.763	S	S	*	*				60.2	117	89.9	-36.5	0	0	0	0	110.6
156	I	55.6	Low	51	Low	143 Å²	143	126.9 Å²	126.9	73%	0.733	76%	0.755	S	S	*	*				-179	102.9	75.7	-70.2	157.7	0	0	0	105.9
157	T	51.4	Low	50.8	Low	127 Å²	127	128.6 Å²	128.6	78%	0.779	77%	0.766	S	S	*	*				108	152	95.8	53.9	0	0	0	0	115.4
158	P	46.6	Very low	51	Low	109 Å²	109	126 Å²	126	71%	0.708	76%	0.761	S	S	*	*			trans	-119.4	172.4	-153.2	41.3	-27.3	0	0	0	114
159	T	53.8	Low	51.2	Low	121 Å²	121	125.3 Å²	125.3	74%	0.742	76%	0.76	S	S	*	*			trans	-178.6	112.8	144	13.4	0	0	0	0	111.2
160	E	54.1	Low	51.4	Low	171 Å²	171	127.4 Å²	127.4	80%	0.799	77%	0.765	S	S	*	*				95.5	137.3	116.5	-55.8	-97.5	147.1	0	0	112.5
161	T	51.4	Low	51.7	Low	101 Å²	101	125.8 Å²	125.8	62%	0.62	76%	0.762	S	S	*	*			cis	-172	132.7	-0.4	-93.9	0	0	0	0	107.7
162	C	42.8	Very low	51.8	Low	126 Å²	126	126.5 Å²	126.5	85%	0.851	76%	0.762	S	S	*	*			trans	33.7	133.6	142.5	-45.6	0	0	0	0	123.2
163	G	45.4	Very low	51.8	Low	77 Å²	77	130 Å²	130	79%	0.794	77%	0.773	S	S	*	*			trans	172.5	65.5	158.5	0	0	0	0	0	117.2
164	S	50.9	Low	51.7	Low	121 Å²	121	129.3 Å²	129.3	85%	0.846	78%	0.775	S	S	*	*			trans	32.1	155.6	146.4	-56.2	0	0	0	0	125.6
165	P	56	Low	51.1	Low	119 Å²	119	128.8 Å²	128.8	77%	0.773	78%	0.776	S	S	*	*			trans	-115.3	-141.6	-161.7	32	-7.8	0	0	0	112.4
166	P	54.8	Low	51.2	Low	114 Å²	114	129.8 Å²	129.8	74%	0.74	78%	0.782	S	S	*	*				-110.5	172.2	-85.5	34.1	-17.5	0	0	0	112.4
167	T	51.5	Low	51.2	Low	141 Å²	141	127.5 Å²	127.5	87%	0.865	78%	0.779	S	S	*	*			trans	-144.1	130.8	161.7	-44.9	0	0	0	0	113
168	T	54.6	Low	51.6	Low	119 Å²	119	126.7 Å²	126.7	73%	0.73	78%	0.776	S	S	*	*			trans	-67.2	151.7	-178.8	49.1	0	0	0	0	114.7
169	N	61.2	Low	52.3	Low	157 Å²	157	127.4 Å²	127.4	84%	0.84	78%	0.78	S	S	*	*				-173.3	124.3	117.9	43.9	3.1	0	0	0	113.1
170	N	46.3	Very low	51.7	Low	155 Å²	155	130.7 Å²	130.7	83%	0.829	79%	0.787	S	S	*	*			trans	-49.8	153.9	160.2	-81.1	-34.5	0	0	0	111.9
171	T	51.8	Low	51.8	Low	125 Å²	125	128.2 Å²	128.2	77%	0.767	78%	0.784	S	S	*	*				-164.4	112.1	115.3	-68.7	0	0	0	0	109.7
172	T	50.3	Low	51.8	Low	116 Å²	116	129.5 Å²	129.5	71%	0.712	79%	0.791	S	S	*	*			trans	-21.2	133.9	155.3	36.9	0	0	0	0	115.8
173	N	55.8	Low	52.1	Low	166 Å²	166	129.4 Å²	129.4	89%	0.888	79%	0.786	S	S	*	*			trans	-142.4	116	142.9	-87.2	-41.7	0	0	0	111.9
174	L	52.4	Low	52.1	Low	156 Å²	156	130.4 Å²	130.4	82%	0.817	78%	0.781	S	S	*	*			trans	-23.3	120.8	167.9	-129.4	66.4	0	0	0	116.1	T176	L174-T176 PolarHBondContact O-N 3.37Å
175	V	41	Very low	51.6	Low	133 Å²	133	130.5 Å²	130.5	81%	0.806	78%	0.779	S	S	*	*			trans	-51.1	120.2	156.7	164.3	0	0	0	0	109.1
176	T	48.4	Very low	51.3	Low	128 Å²	128	133.8 Å²	133.8	79%	0.785	78%	0.784	S	S	*	*			trans	-118	112.3	164.3	-39.6	0	0	0	0	107.2	L174	L174-T176 PolarHBondContact O-N 3.37Å
177	S	53.9	Low	50.8	Low	95 Å²	95	137.4 Å²	137.4	66%	0.664	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-61.6	145.3	-178.4	-31.8	0	0	0	0	111.6
178	P	60.5	Low	50.3	Low	111 Å²	111	137 Å²	137	72%	0.721	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-73.5	149.3	170.3	-7.3	24.1	0	0	0	111.1
179	P	60.7	Low	49.5	Very low	123 Å²	123	139.5 Å²	139.5	80%	0.799	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-75.9	140.8	178.1	31.4	-32.6	0	0	0	111.7
180	E	42.3	Very low	48.9	Very low	191 Å²	191	136 Å²	136	89%	0.893	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-61.8	127.4	176.4	-64.7	-175.4	123.9	0	0	111.5
181	V	55.4	Low	48.8	Very low	119 Å²	119	135.6 Å²	135.6	72%	0.721	77%	0.769	S	S	*	*			trans	-96.9	111	169.4	179.3	0	0	0	0	108	V183	V181-V183 HydrophobicContact CG1-CG2 4.48Å; V181-V183 PolarHBondContact O-N 3.33Å
182	V	52.9	Low	48.5	Very low	127 Å²	127	133.6 Å²	133.6	77%	0.77	77%	0.765	S	S	*	*			trans	-74.4	108.3	172.4	-177.5	0	0	0	0	108.1
183	V	47.9	Very low	48.1	Very low	124 Å²	124	135.2 Å²	135.2	75%	0.752	77%	0.769	S	S	*	*			trans	-88.5	107.9	169.4	-178.6	0	0	0	0	107.4	V181	V181-V183 HydrophobicContact CG1-CG2 4.48Å; V181-V183 PolarHBondContact O-N 3.33Å
184	S	46.6	Very low	47.8	Very low	99 Å²	99	133.8 Å²	133.8	69%	0.692	76%	0.762	S	S	*	*			trans	-70.3	129	171.5	-72.4	0	0	0	0	110.2	E186	S184-E186 PolarHBondContact O-N 3.37Å
185	P	39.1	Very low	47.8	Very low	123 Å²	123	130.9 Å²	130.9	80%	0.799	75%	0.754	S	S	*	*			trans	-92.4	90.6	-178.7	34.3	-27.9	0	0	0	109.3
186	E	49.6	Very low	47.7	Very low	187 Å²	187	135.9 Å²	135.9	87%	0.874	76%	0.76	S	S	*	*			trans	-161.8	76.9	175	-113.7	166.8	-156.5	0	0	112.2	S184	S184-E186 PolarHBondContact O-N 3.37Å
187	F	43.5	Very low	48.1	Very low	191 Å²	191	134 Å²	134	84%	0.838	76%	0.758	S	S	*	*			trans	-160.2	85.9	138	-147.3	-104.8	0	0	0	110.2
188	N	42.3	Very low	47.8	Very low	133 Å²	133	135.7 Å²	135.7	71%	0.711	76%	0.759	S	S	*	*			trans	-82.6	131.2	167.2	-120.7	-8.1	0	0	0	108.5
189	Q	36.9	Very low	47.4	Very low	171 Å²	171	137.1 Å²	137.1	80%	0.799	77%	0.766	S	S	*	*			trans	58.9	88.6	141.3	-61.8	171.3	13.7	0	0	118.4
190	S	49.5	Very low	46.3	Very low	83 Å²	83	141.1 Å²	141.1	58%	0.58	78%	0.781	S	S	*	*			trans	-151.1	125.1	134.8	71.5	0	0	0	0	105.3
191	L	43.8	Very low	46.5	Very low	147 Å²	147	138.7 Å²	138.7	77%	0.77	78%	0.775	S	S	*	*				-153.3	108.1	57.4	-73	145.7	0	0	0	107.4
192	A	45.8	Very low	46	Very low	82 Å²	82	139.7 Å²	139.7	68%	0.678	78%	0.778	S	S	*	*	S	Bend	trans	-89.2	131.4	149	0	0	0	0	0	106.1
193	N	41.1	Very low	45.6	Very low	150 Å²	150	140.4 Å²	140.4	80%	0.802	78%	0.778	S	S	*	*			trans	77.2	83	162.3	-43	-26.6	0	0	0	116.6
194	D	49.1	Very low	45.5	Very low	137 Å²	137	141.4 Å²	141.4	73%	0.733	78%	0.78	S	S	*	*			trans	-123.1	92.7	142.9	-91.7	-44.8	0	0	0	106.4
195	S	52.6	Low	45.4	Very low	94 Å²	94	144 Å²	144	66%	0.657	79%	0.786	S	S	*	*				92.9	92.1	87.8	63.6	0	0	0	0	110.3	A197	S195-A197 PolarHBondContact O-N 3.29Å
196	Y	39.3	Very low	45.8	Very low	238 Å²	238	145.4 Å²	145.4	93%	0.933	79%	0.785	S	S	*	*			trans	-54.2	107.2	159.5	-160.2	-93.3	0	0	0	108.4
197	A	56.5	Low	45.6	Very low	88 Å²	88	142.4 Å²	142.4	73%	0.727	78%	0.778	S	S	*	*			trans	-142	87.1	171.3	0	0	0	0	0	110.2	S195	S195-A197 PolarHBondContact O-N 3.29Å
198	N	48.6	Very low	45.7	Very low	131 Å²	131	138.7 Å²	138.7	70%	0.701	77%	0.774	S	S	*	*			trans	14.9	120.2	144.7	-147.5	27.5	0	0	0	119.6	N200	N198-N200 PolarHBondContact ND2-O 2.88Å; N198-N200 VanDerWaalsContact ND2-O 3.17Å; N198-N200 PolarHBondContact OD1-O 3.32Å
199	V	51.9	Low	46	Very low	142 Å²	142	139.2 Å²	139.2	86%	0.861	78%	0.779	S	S	*	*			trans	-134.8	80.6	145.7	-175	0	0	0	0	108.1
200	N	37.1	Very low	46.8	Very low	207 Å²	207	136.3 Å²	136.3	100%	1.107	78%	0.777	S	S	*	*				-162.7	0	128.8	-115	28.3	0	0	0	109.8	N198	N198-N200 PolarHBondContact ND2-O 2.88Å; N198-N200 VanDerWaalsContact ND2-O 3.17Å; N198-N200 PolarHBondContact OD1-O 3.32Å

Retrieved 200 of 200 residues in 46.6 ms (Link to these results)

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