A0A096ML28_PAPAN Loading...

Leucine-rich repeat-containing protein 3

AlphaFold DB , UniProt , Accession A0A096ML28, Species PAPAN (Papio anubis, Olive baboon), Gene LRRC3, Length 257 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	41.8	Very low	36.1	Very low	245 Å²	245	161.9 Å²	161.9	100%	1.207	86%	0.863	S	S	*	*				0	117.5	0	-86.8	150.9	156.1	0	0	107.2
2	G	36.4	Very low	35.8	Very low	80 Å²	80	161.8 Å²	161.8	83%	0.825	86%	0.862	S	S	*	*			trans	-77.9	132.3	-153.4	0	0	0	0	0	115.1
3	T	33.3	Very low	35.9	Very low	142 Å²	142	162.6 Å²	162.6	87%	0.871	87%	0.865	S	S	*	*			trans	-99.6	110.9	159.1	41.3	0	0	0	0	107.6
4	V	33.2	Very low	35.9	Very low	144 Å²	144	159.6 Å²	159.6	87%	0.873	86%	0.855	S	S	*	*			trans	-128.5	109.5	170.9	-178.3	0	0	0	0	107.9
5	R	36.5	Very low	36.4	Very low	232 Å²	232	156.6 Å²	156.6	88%	0.875	85%	0.851	S	S	*	*			trans	-114.8	129.8	166.1	179.1	-171	-83.8	-172.5	-4.3	105.9
6	L	29.9	Very low	36.5	Very low	159 Å²	159	154.4 Å²	154.4	83%	0.832	84%	0.844	S	S	*	*			trans	148.2	162.8	158.8	-84.8	148.3	0	0	0	109.1
7	P	38.8	Very low	36.9	Very low	108 Å²	108	160.1 Å²	160.1	70%	0.701	85%	0.851	S	S	*	*			cis	-129.8	-178.7	-32.5	31.2	-11.1	0	0	0	112.5
8	R	42.7	Very low	37.1	Very low	239 Å²	239	154.9 Å²	154.9	90%	0.902	84%	0.842	S	S	*	*			trans	-63.9	152.8	165.5	-69.4	175.2	173.6	164.6	-3.4	111.6
9	P	36.3	Very low	37.9	Very low	114 Å²	114	153.2 Å²	153.2	74%	0.74	84%	0.842	S	S	*	*			trans	-129.1	129	137.8	30.4	-15.4	0	0	0	110.1
10	S	31.8	Very low	38.3	Very low	105 Å²	105	151.6 Å²	151.6	73%	0.734	84%	0.841	S	S	*	*				67.2	104.4	71.3	-57.2	0	0	0	0	112.3	L12	S10-L12 PolarHBondContact O-N 3.33Å
11	F	36.8	Very low	38.6	Very low	213 Å²	213	151.9 Å²	151.9	93%	0.934	84%	0.841	S	S	*	*			trans	-48.7	128	170.7	-78	-101.7	0	0	0	111.6
12	L	31.5	Very low	39.1	Very low	161 Å²	161	150.1 Å²	150.1	84%	0.843	83%	0.827	S	S	*	*			trans	-129	114.2	161	-87.7	162.1	0	0	0	108	S10 V14	S10-L12 PolarHBondContact O-N 3.33Å; L12-V14 PolarHBondContact O-N 3.42Å
13	L	38	Very low	39.8	Very low	172 Å²	172	152.6 Å²	152.6	90%	0.901	82%	0.82	S	S	*	*			trans	-61.8	121.2	164.7	-85.6	97	0	0	0	108.7
14	V	34.9	Very low	40.6	Very low	121 Å²	121	153.9 Å²	153.9	73%	0.733	82%	0.821	S	S	*	*			trans	-117.5	112.1	160.9	174.1	0	0	0	0	107.9	L12 T16	L12-V14 PolarHBondContact O-N 3.42Å; V14-T16 HydrophobicContact CG1-CG2 4.1Å
15	S	43.8	Very low	41.4	Very low	114 Å²	114	155.3 Å²	155.3	80%	0.797	82%	0.816	S	S	*	*			trans	-79.1	113.4	167.8	176.1	0	0	0	0	108.5
16	T	38.6	Very low	42.2	Very low	121 Å²	121	148.9 Å²	148.9	74%	0.742	81%	0.805	S	S	*	*			trans	-136.8	114.2	161.3	47.7	0	0	0	0	109.6	V14	V14-T16 HydrophobicContact CG1-CG2 4.1Å
17	R	42.3	Very low	43.1	Very low	251 Å²	251	148.1 Å²	148.1	95%	0.947	80%	0.801	S	S	*	*			trans	-55.7	135.9	167.9	-74	168	151.6	168.2	-8.1	110.4
18	G	40.5	Very low	43.7	Very low	68 Å²	68	152.2 Å²	152.2	70%	0.701	80%	0.803	S	S	*	*			trans	132.4	98.8	156	0	0	0	0	0	115.9
19	S	52.1	Low	44.1	Very low	121 Å²	121	148.8 Å²	148.8	85%	0.846	80%	0.801	S	S	*	*			trans	76.5	134.1	145.6	-58.2	0	0	0	0	120.4
20	C	46.3	Very low	45	Very low	121 Å²	121	145.5 Å²	145.5	82%	0.818	79%	0.788	S	S	*	*			trans	70.3	87.6	166.7	-74.9	0	0	0	0	116.8
21	L	45.4	Very low	46.3	Very low	158 Å²	158	143.9 Å²	143.9	83%	0.827	78%	0.781	S	S	*	*			trans	-163.2	59.3	130.8	-96.2	147.8	0	0	0	109.1	L23	L21-L23 HydrophobicContact CD2-CB 4.26Å; L21-L23 HydrophobicContact CD2-CD1 4.48Å; L21-L23 PolarHBondContact O-N 3.29Å
22	F	51.6	Low	48.1	Very low	209 Å²	209	139 Å²	139	92%	0.917	77%	0.769	S	S	*	*			trans	-69.6	60.6	157.6	-118.7	-85.2	0	0	0	108.4
23	L	51.7	Low	50.6	Low	131 Å²	131	132.5 Å²	132.5	69%	0.686	74%	0.736	S	S	*	*			trans	-141.6	48.3	-179.3	-75.3	174.2	0	0	0	111.8	L21	L21-L23 HydrophobicContact CD2-CB 4.26Å; L21-L23 HydrophobicContact CD2-CD1 4.48Å; L21-L23 PolarHBondContact O-N 3.29Å
24	L	50.7	Low	52.8	Low	170 Å²	170	124.6 Å²	124.6	89%	0.89	70%	0.696	S	S	*	*			trans	-121	30.7	149.6	-79.4	168.3	0	0	0	110.3	C26	L24-C26 PolarHBondContact O-N 3.14Å; L24-C26 VanDerWaalsContact O-N 3.1Å
25	F	48.5	Very low	55	Low	174 Å²	174	127.5 Å²	127.5	76%	0.763	70%	0.701	S	S	*	*	S	Bend	trans	-74.6	93.4	152.5	-153.4	-99.2	0	0	0	104.8	L27	F25-L27 VanDerWaalsContact C-N 3.3Å; F25-L27 PolarHBondContact O-N 2.69Å
26	C	53.1	Low	57	Low	96 Å²	96	124.2 Å²	124.2	65%	0.649	68%	0.677	S	S	*	*			trans	-49.5	106	165.5	-78.8	0	0	0	0	106.6	L24 R28	L24-C26 PolarHBondContact O-N 3.14Å; L24-C26 VanDerWaalsContact O-N 3.1Å; C26-R28 HydrophobicContact CB-CG 4.37Å; C26-R28 PolarHBondContact O-N 3.09Å
27	L	49.2	Very low	59.4	Low	143 Å²	143	119.2 Å²	119.2	75%	0.749	65%	0.647	S	S	*	*			trans	-60.2	77.3	159	-82.8	149.3	0	0	0	106.6	F25 L29	F25-L27 VanDerWaalsContact C-N 3.3Å; F25-L27 PolarHBondContact O-N 2.69Å; L27-L29 HydrophobicContact CD2-CD1 3.83Å; L27-L29 PolarHBondContact O-N 3.16Å; L27-L29 VanDerWaalsContact O-N 3.12Å
28	R	52	Low	61.7	Low	195 Å²	195	115.8 Å²	115.8	74%	0.736	63%	0.634	S	S	*	*			trans	-77.7	84.6	155.6	-71.1	-151.2	-179.7	-169.4	3.2	105.4	C26 G30	C26-R28 HydrophobicContact CB-CG 4.37Å; C26-R28 PolarHBondContact O-N 3.09Å; R28-G30 PolarHBondContact O-N 3.48Å
29	L	51.1	Low	64	Low	167 Å²	167	112.8 Å²	112.8	87%	0.874	60%	0.602	S	S	*	*			trans	-71.6	53.2	160.3	-121.7	78.8	0	0	0	108.8	L27	L27-L29 HydrophobicContact CD2-CD1 3.83Å; L27-L29 PolarHBondContact O-N 3.16Å; L27-L29 VanDerWaalsContact O-N 3.12Å
30	G	54.3	Low	65.2	Low	45 Å²	45	110.3 Å²	110.3	46%	0.464	58%	0.583	S	S	.	*	S	Bend	trans	-118.6	122.9	174.9	0	0	0	0	0	106.8	R28 T32	R28-G30 PolarHBondContact O-N 3.48Å; G30-T32 PolarHBondContact O-N 3.37Å
31	A	60.9	Low	66	Low	70 Å²	70	109.6 Å²	109.6	58%	0.579	57%	0.571	S	S	*	*			trans	-47.4	114.8	178.3	0	0	0	0	0	109.7	P63	A31-P63 HydrophobicContact CB-CB 3.85Å; A31-P63 HydrophobicContact CB-CG 4.09Å
32	T	72.8	Confident	66.4	Low	112 Å²	112	109.7 Å²	109.7	69%	0.687	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-71.9	132.7	-176	-22.1	0	0	0	0	108.6	G30	G30-T32 PolarHBondContact O-N 3.37Å
33	C	84.2	Confident	66.4	Low	23 Å²	23	104.2 Å²	104.2	16%	0.155	56%	0.56	C	S	.	*	P	Polyproline II helix	trans	-58.9	137.7	175.3	-169.5	0	0	0	0	110.2	Q35 C39	C33-Q35 PolarHBondContact O-N 3.02Å; C33-C39 HydrophobicContact CB-CB 3.78Å; C33-C39 WeakPolarHBondContact CB-SG 3.38Å; C33-C39 WeakPolarHBondContact SG-CB 3.41Å; C33-C39 PolarHBondContact SG-N 3.46Å; C33-C39 CovalentContact SG-SG 2.04Å; C33-C39 PolarHBondContact SG-SG 3.47Å
34	P	85.1	Confident	66.8	Low	7 Å²	7	100 Å²	100	5%	0.045	55%	0.548	C	S	.	.	P	Polyproline II helix	trans	-59.9	135.5	177.9	2.4	-2.9	0	0	0	110.4	P36 C37 P59 D61 I62	P34-P36 VanDerWaalsContact C-N 3.33Å; P34-C37 HydrophobicContact CB-CB 4.25Å; P34-C37 HydrophobicContact CG-CB 3.95Å; P34-C37 WeakPolarHBondContact O-CA 3.48Å; P34-C37 WeakPolarHBondContact O-CB 3.43Å; P34-C37 PolarHBondContact O-N 3.41Å; P34-P59 HydrophobicContact CB-CB 4.21Å; P34-P59 HydrophobicContact CG-CB 4.44Å; P34-D61 WeakPolarHBondContact CD-O 3.3Å; P34-I62 HydrophobicContact CG-CG1 4.34Å
35	Q	80.6	Confident	67.2	Low	181 Å²	181	92.2 Å²	92.2	85%	0.846	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-32.5	-175.9	-66.1	-67.9	-50.2	0	0	115.9	C33 C37	C33-Q35 PolarHBondContact O-N 3.02Å; Q35-C37 VanDerWaalsContact C-N 3.31Å
36	P	85.4	Confident	68.8	Low	46 Å²	46	88.3 Å²	88.3	30%	0.299	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-12.3	173.6	29.8	-34.2	0	0	0	113.8	P34 R53 L55	P34-P36 VanDerWaalsContact C-N 3.33Å; P36-R53 HydrophobicContact CB-CB 4.36Å; P36-R53 VanDerWaalsContact O-CD 3.22Å; P36-R53 WeakPolarHBondContact O-CD 3.41Å; P36-R53 VanDerWaalsContact O-CG 3.29Å; P36-R53 WeakPolarHBondContact O-CG 3.45Å; P36-R53 VanDerWaalsContact O-CZ 3.29Å; P36-R53 PolarHBondContact O-NE 3.41Å; P36-R53 PolarHBondContact O-NH1 3.26Å; P36-L55 HydrophobicContact CB-CD2 4.1Å; P36-L55 HydrophobicContact CG-CD2 3.88Å
37	C	90	Very high	70.6	Confident	16 Å²	16	84.4 Å²	84.4	11%	0.108	47%	0.474	C	S	.	.	S	Bend	trans	-106.8	160	-170	-56.5	0	0	0	0	112.3	P34 Q35 V48 Y49 C50	P34-C37 HydrophobicContact CB-CB 4.25Å; P34-C37 HydrophobicContact CG-CB 3.95Å; P34-C37 WeakPolarHBondContact O-CA 3.48Å; P34-C37 WeakPolarHBondContact O-CB 3.43Å; P34-C37 PolarHBondContact O-N 3.41Å; Q35-C37 VanDerWaalsContact C-N 3.31Å; C37-V48 HydrophobicContact CB-CG1 4.19Å; C37-Y49 CarbonylContact C-O 3.52Å; C37-Y49 WeakPolarHBondContact CA-O 3.37Å; C37-C50 HydrophobicContact CB-CB 4.08Å; C37-C50 WeakPolarHBondContact CB-SG 3.36Å; C37-C50 WeakPolarHBondContact SG-CB 3.27Å; C37-C50 CovalentContact SG-SG 2.03Å; C37-C50 PolarHBondContact SG-SG 3.36Å
38	R	90.1	Very high	72.7	Confident	179 Å²	179	77.6 Å²	77.6	68%	0.675	44%	0.438	S	S	*	.	B	Isolated β-bridge	trans	-113.3	123.1	174.8	-176.9	175.3	178.1	152.7	-0.2	109.3	Y49	R38-Y49 PolarHBondContact N-O 2.62Å; R38-Y49 PolarHBondContact O-N 2.98Å
39	C	87.9	Confident	74.7	Confident	5 Å²	5	72.6 Å²	72.6	3%	0.034	42%	0.42	C	S	.	.			trans	-110	117.6	172.4	-54.6	0	0	0	0	106.9	C33 D41 A45	C33-C39 HydrophobicContact CB-CB 3.78Å; C33-C39 WeakPolarHBondContact CB-SG 3.38Å; C33-C39 WeakPolarHBondContact SG-CB 3.41Å; C33-C39 PolarHBondContact SG-N 3.46Å; C33-C39 CovalentContact SG-SG 2.04Å; C33-C39 PolarHBondContact SG-SG 3.47Å; C39-D41 PolarHBondContact O-N 2.97Å; C39-D41 VanDerWaalsContact O-N 3.1Å; C39-A45 HydrophobicContact CB-CB 4.18Å
40	P	78.3	Confident	76.7	Confident	69 Å²	69	64.6 Å²	64.6	45%	0.448	38%	0.378	S	S	.	.	S	Bend	trans	-60	-22.1	-172.5	-22.1	31.6	0	0	0	114.5	A47 Y49	P40-A47 WeakPolarHBondContact CD-O 3.46Å; P40-Y49 HydrophobicContact CG-CD2 3.89Å; P40-Y49 HydrophobicContact CG-CE2 3.51Å
41	D	63.8	Low	78.7	Confident	106 Å²	106	63.9 Å²	63.9	57%	0.567	37%	0.366	S	S	*	.			trans	-130.3	113	176.5	-70.9	-49.6	0	0	0	109.4	C39 A43	C39-D41 PolarHBondContact O-N 2.97Å; C39-D41 VanDerWaalsContact O-N 3.1Å; D41-A43 PolarHBondContact O-N 3.48Å
42	H	53.3	Low	80.4	Confident	159 Å²	159	67.4 Å²	67.4	74%	0.736	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	31.2	173.7	-65.7	-76.1	0	0	0	113.1
43	A	52.4	Low	81.4	Confident	94 Å²	94	68.6 Å²	68.6	78%	0.777	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-157.4	30	-162.1	0	0	0	0	0	116.9	D41	D41-A43 PolarHBondContact O-N 3.48Å
44	G	58.2	Low	81.9	Confident	42 Å²	42	69.2 Å²	69.2	43%	0.433	38%	0.377	S	S	.	.	S	Bend	trans	128.5	61.1	178.2	0	0	0	0	0	112.5	V46 D65	G44-V46 PolarHBondContact O-N 3.45Å; G44-V46 VanDerWaalsContact O-N 3.12Å; G44-D65 VanDerWaalsContact CA-OD2 3.22Å; G44-D65 WeakPolarHBondContact CA-OD2 3.29Å
45	A	60.9	Low	82.4	Confident	8 Å²	8	70.2 Å²	70.2	7%	0.066	38%	0.381	C	S	.	.			trans	-72.5	107.4	-159	0	0	0	0	0	112.6	C39 A47 P63 D65 T66	C39-A45 HydrophobicContact CB-CB 4.18Å; A45-A47 VanDerWaalsContact C-N 3.32Å; A45-P63 HydrophobicContact CB-CG 4.49Å; A45-D65 PolarHBondContact N-OD2 3.36Å; A45-D65 CarbonylContact O-C 3.39Å; A45-T66 WeakPolarHBondContact O-CA 3.48Å; A45-T66 PolarHBondContact O-N 3.08Å
46	V	82.1	Confident	83.1	Confident	92 Å²	92	68.4 Å²	68.4	56%	0.558	37%	0.373	S	S	*	.	S	Bend	trans	-72.4	-26.3	169.2	178.1	0	0	0	0	111.3	G44 V67 L68	G44-V46 PolarHBondContact O-N 3.45Å; G44-V46 VanDerWaalsContact O-N 3.12Å; V46-V67 HydrophobicContact CG1-CB 3.82Å; V46-V67 HydrophobicContact CG1-CG2 3.93Å; V46-V67 CarbonylContact O-C 3.56Å; V46-V67 WeakPolarHBondContact O-CA 3.3Å; V46-V67 VanDerWaalsContact O-CB 3.28Å; V46-V67 WeakPolarHBondContact O-CB 3.03Å; V46-V67 PolarHBondContact O-N 3.03Å; V46-L68 PolarHBondContact O-N 2.96Å
47	A	90.2	Very high	83.5	Confident	14 Å²	14	73.1 Å²	73.1	12%	0.116	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	139	-177.6	0	0	0	0	0	112.5	P40 A45 Y49 L68	P40-A47 WeakPolarHBondContact CD-O 3.46Å; A45-A47 VanDerWaalsContact C-N 3.32Å; A47-Y49 HydrophobicContact CB-CE2 3.74Å; A47-L68 CarbonylContact C-O 3.56Å; A47-L68 VanDerWaalsContact CA-O 3.29Å; A47-L68 WeakPolarHBondContact CA-O 3.36Å; A47-L68 HydrophobicContact CB-CB 3.99Å; A47-L68 HydrophobicContact CB-CD2 4.06Å; A47-L68 HydrophobicContact CB-CG 4.32Å
48	V	92.9	Very high	83.7	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	122.9	178.8	179.1	0	0	0	0	109.3	C37 I62 T66 L68 L69 K70	C37-V48 HydrophobicContact CB-CG1 4.19Å; V48-I62 HydrophobicContact CG2-CG2 4.43Å; V48-T66 HydrophobicContact CB-CG2 4.12Å; V48-T66 HydrophobicContact CG2-CG2 3.71Å; V48-T66 WeakPolarHBondContact CG2-OG1 3.35Å; V48-L68 PolarHBondContact N-O 2.99Å; V48-L69 HydrophobicContact CB-CD1 3.9Å; V48-L69 HydrophobicContact CG1-CD1 3.92Å; V48-K70 PolarHBondContact O-N 3.44Å
49	Y	93.9	Very high	83.8	Confident	89 Å²	89	66 Å²	66	35%	0.349	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	111.6	-177.5	-60.3	-90.1	0	0	0	111.4	C37 R38 P40 A47 L68 K70	C37-Y49 CarbonylContact C-O 3.52Å; C37-Y49 WeakPolarHBondContact CA-O 3.37Å; R38-Y49 PolarHBondContact N-O 2.62Å; R38-Y49 PolarHBondContact O-N 2.98Å; P40-Y49 HydrophobicContact CG-CD2 3.89Å; P40-Y49 HydrophobicContact CG-CE2 3.51Å; A47-Y49 HydrophobicContact CB-CE2 3.74Å; Y49-L68 HydrophobicContact CE1-CD2 4.43Å; Y49-K70 HydrophobicContact CD1-CB 3.89Å; Y49-K70 HydrophobicContact CD1-CG 3.79Å; Y49-K70 HydrophobicContact CE1-CG 3.91Å
50	C	94.4	Very high	83.7	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	41%	0.408	C	S	.	.			trans	-120.3	20.1	-179.1	-58.4	0	0	0	0	112.1	C37 R53 L55 K70 L71 N74	C37-C50 HydrophobicContact CB-CB 4.08Å; C37-C50 WeakPolarHBondContact CB-SG 3.36Å; C37-C50 WeakPolarHBondContact SG-CB 3.27Å; C37-C50 CovalentContact SG-SG 2.03Å; C37-C50 PolarHBondContact SG-SG 3.36Å; C50-R53 VanDerWaalsContact O-CG 3.29Å; C50-R53 WeakPolarHBondContact O-CG 3.16Å; C50-L55 HydrophobicContact CB-CD1 3.96Å; C50-K70 WeakPolarHBondContact CA-O 3.41Å; C50-K70 WeakPolarHBondContact CB-O 3.36Å; C50-K70 PolarHBondContact N-O 3.5Å; C50-L71 HydrophobicContact CB-CD2 3.53Å; C50-L71 HydrophobicContact CB-CG 4.33Å; C50-N74 PolarHBondContact O-ND2 3.38Å
51	S	95.9	Very high	84.2	Confident	30 Å²	30	77.2 Å²	77.2	21%	0.21	42%	0.417	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	143.3	-174.8	-38.1	0	0	0	0	112.8	R53 D72	S51-R53 WeakPolarHBondContact O-CG 3.31Å; S51-R53 PolarHBondContact O-N 3.33Å; S51-D72 VanDerWaalsContact CA-O 3.25Å; S51-D72 WeakPolarHBondContact CA-O 3.35Å; S51-D72 WeakPolarHBondContact CB-OD1 3.22Å; S51-D72 WeakPolarHBondContact CB-OD2 3.45Å; S51-D72 PolarHBondContact OG-OD1 2.85Å; S51-D72 PolarHBondContact OG-OD2 3.28Å
52	L	95.3	Very high	85.4	Confident	143 Å²	143	73.2 Å²	73.2	75%	0.749	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	39.9	175.2	-69.4	145.9	0	0	0	114.4	D72 A73	L52-D72 PolarHBondContact N-O 3.46Å; L52-A73 VanDerWaalsContact CA-O 3.28Å; L52-A73 WeakPolarHBondContact CA-O 3.4Å; L52-A73 HydrophobicContact CD2-CB 3.86Å; L52-A73 HydrophobicContact CG-CB 3.7Å; L52-A73 PolarHBondContact N-O 2.87Å
53	R	94.9	Very high	87.1	Confident	137 Å²	137	65.9 Å²	65.9	52%	0.517	36%	0.362	S	S	.	.	S	Bend	trans	-107.7	-1.4	-177.6	-60.1	-58.2	176.5	144.6	2.7	114.2	P36 C50 S51 L55 N74	P36-R53 HydrophobicContact CB-CB 4.36Å; P36-R53 VanDerWaalsContact O-CD 3.22Å; P36-R53 WeakPolarHBondContact O-CD 3.41Å; P36-R53 VanDerWaalsContact O-CG 3.29Å; P36-R53 WeakPolarHBondContact O-CG 3.45Å; P36-R53 VanDerWaalsContact O-CZ 3.29Å; P36-R53 PolarHBondContact O-NE 3.41Å; P36-R53 PolarHBondContact O-NH1 3.26Å; C50-R53 VanDerWaalsContact O-CG 3.29Å; C50-R53 WeakPolarHBondContact O-CG 3.16Å; S51-R53 WeakPolarHBondContact O-CG 3.31Å; S51-R53 PolarHBondContact O-N 3.33Å; R53-L55 HydrophobicContact CB-CD1 4.31Å; R53-L55 HydrophobicContact CB-CD2 4.42Å; R53-L55 HydrophobicContact CB-CG 3.93Å; R53-L55 PolarHBondContact O-N 3.01Å; R53-N74 WeakPolarHBondContact CA-OD1 3.31Å; R53-N74 PolarHBondContact N-OD1 3.17Å
54	G	95.1	Very high	88.9	Confident	37 Å²	37	64.1 Å²	64.1	38%	0.381	35%	0.348	S	S	.	.			trans	66.3	25.1	-179.8	0	0	0	0	0	113.3	Q56 N74	G54-Q56 PolarHBondContact O-N 3.06Å; G54-N74 PolarHBondContact N-OD1 3.5Å
55	L	95.1	Very high	90.3	Very high	27 Å²	27	64.5 Å²	64.5	14%	0.141	34%	0.34	C	S	.	.			trans	-64.2	132.1	179.1	-61	172.2	0	0	0	110	P36 C50 R53 P59 L71 N74 K75 I76	P36-L55 HydrophobicContact CB-CD2 4.1Å; P36-L55 HydrophobicContact CG-CD2 3.88Å; C50-L55 HydrophobicContact CB-CD1 3.96Å; R53-L55 HydrophobicContact CB-CD1 4.31Å; R53-L55 HydrophobicContact CB-CD2 4.42Å; R53-L55 HydrophobicContact CB-CG 3.93Å; R53-L55 PolarHBondContact O-N 3.01Å; L55-P59 HydrophobicContact CD1-CG 3.97Å; L55-L71 HydrophobicContact CD1-CD2 3.84Å; L55-N74 HydrophobicContact CB-CB 4.13Å; L55-N74 PolarHBondContact N-OD1 2.96Å; L55-N74 VanDerWaalsContact N-OD1 3.14Å; L55-K75 CarbonylContact O-C 3.5Å; L55-K75 VanDerWaalsContact O-CA 3.27Å; L55-K75 WeakPolarHBondContact O-CA 3.31Å; L55-K75 PolarHBondContact O-N 3.04Å; L55-I76 HydrophobicContact CB-CG1 4.48Å; L55-I76 PolarHBondContact O-N 3.31Å
56	Q	95.5	Very high	91.8	Very high	143 Å²	143	64.1 Å²	64.1	67%	0.668	34%	0.337	S	S	*	.	S	Bend	trans	-93.5	-17.9	174.4	-64	179.4	33.4	0	0	112	G54 K75 I76	G54-Q56 PolarHBondContact O-N 3.06Å; Q56-K75 HydrophobicContact CG-CB 4.48Å; Q56-I76 WeakPolarHBondContact O-CA 3.44Å
57	E	94.4	Very high	92.3	Very high	146 Å²	146	61.4 Å²	61.4	68%	0.682	32%	0.32	S	S	*	.	S	Bend	trans	-141.4	160.6	-177.7	-63.5	-178.3	-177.2	0	0	110
58	V	94.1	Very high	92.5	Very high	20 Å²	20	62.3 Å²	62.3	12%	0.121	32%	0.323	C	S	.	.			trans	-71.6	125.2	174.5	-179.2	0	0	0	0	109.1	Q60 I62 L71 I76 L79 F84	V58-Q60 PolarHBondContact O-N 3.37Å; V58-I62 HydrophobicContact CG1-CD1 3.98Å; V58-L71 HydrophobicContact CG1-CD1 4.11Å; V58-L71 HydrophobicContact CG2-CD1 4.42Å; V58-I76 HydrophobicContact CG2-CD1 4.24Å; V58-L79 HydrophobicContact CG2-CD2 3.65Å; V58-F84 HydrophobicContact CG1-CD1 4.37Å; V58-F84 HydrophobicContact CG1-CE1 3.69Å; V58-F84 HydrophobicContact CG1-CZ 4.21Å; V58-F84 HydrophobicContact CG2-CE1 4.16Å; V58-F84 HydrophobicContact CG2-CZ 3.83Å
59	P	91.3	Very high	92.6	Very high	25 Å²	25	62.3 Å²	62.3	16%	0.162	32%	0.323	C	S	.	.			trans	-60.7	135.5	176.6	-21.7	32.1	0	0	0	111.8	P34 L55 I62	P34-P59 HydrophobicContact CB-CB 4.21Å; P34-P59 HydrophobicContact CG-CB 4.44Å; L55-P59 HydrophobicContact CD1-CG 3.97Å; P59-I62 HydrophobicContact CB-CG1 4.31Å; P59-I62 VanDerWaalsContact O-CD1 3.22Å; P59-I62 WeakPolarHBondContact O-CD1 3.49Å; P59-I62 VanDerWaalsContact O-CG1 3.32Å; P59-I62 WeakPolarHBondContact O-CG1 3.3Å
60	Q	87	Confident	92.7	Very high	188 Å²	188	60.7 Å²	60.7	88%	0.879	32%	0.318	S	S	*	.	S	Bend	trans	-78.2	-24.3	178.6	-62.9	-171.4	7.9	0	0	112.9	V58 I62	V58-Q60 PolarHBondContact O-N 3.37Å; Q60-I62 PolarHBondContact O-N 3.06Å
61	D	87.1	Confident	92.8	Very high	122 Å²	122	60.7 Å²	60.7	65%	0.652	32%	0.318	S	S	*	.			trans	-84	34.7	-175.3	-56.2	-44.7	0	0	0	113.3	P34	P34-D61 WeakPolarHBondContact CD-O 3.3Å
62	I	89.9	Confident	92.9	Very high	21 Å²	21	60.8 Å²	60.8	11%	0.108	32%	0.316	C	S	.	.			trans	-83.2	128.8	178.2	-60.7	168.5	0	0	0	109.1	P34 V48 V58 P59 Q60 A64 L69 L87	P34-I62 HydrophobicContact CG-CG1 4.34Å; V48-I62 HydrophobicContact CG2-CG2 4.43Å; V58-I62 HydrophobicContact CG1-CD1 3.98Å; P59-I62 HydrophobicContact CB-CG1 4.31Å; P59-I62 VanDerWaalsContact O-CD1 3.22Å; P59-I62 WeakPolarHBondContact O-CD1 3.49Å; P59-I62 VanDerWaalsContact O-CG1 3.32Å; P59-I62 WeakPolarHBondContact O-CG1 3.3Å; Q60-I62 PolarHBondContact O-N 3.06Å; I62-A64 PolarHBondContact O-N 3.4Å; I62-L69 HydrophobicContact CD1-CD1 4.12Å; I62-L69 HydrophobicContact CD1-CD2 3.81Å; I62-L69 HydrophobicContact CG2-CD1 4.44Å; I62-L87 HydrophobicContact CB-CD2 4.24Å; I62-L87 HydrophobicContact CG2-CD1 4.05Å; I62-L87 HydrophobicContact CG2-CD2 3.78Å
63	P	89.4	Confident	93.1	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.032	29%	0.292	C	S	.	.			trans	-57	132.5	177.8	-25.7	34.4	0	0	0	113.3	A31 A45 D65 T66 L87	A31-P63 HydrophobicContact CB-CB 3.85Å; A31-P63 HydrophobicContact CB-CG 4.09Å; A45-P63 HydrophobicContact CB-CG 4.49Å; P63-D65 WeakPolarHBondContact CB-OD1 3.45Å; P63-D65 PolarHBondContact O-N 3.01Å; P63-T66 VanDerWaalsContact O-CB 3.27Å; P63-T66 WeakPolarHBondContact O-CB 3.26Å; P63-T66 PolarHBondContact O-N 3.21Å; P63-T66 VanDerWaalsContact O-N 3.11Å; P63-T66 PolarHBondContact O-OG1 2.98Å; P63-L87 WeakPolarHBondContact O-CD2 3.46Å
64	A	89.4	Confident	93.2	Very high	58 Å²	58	49.4 Å²	49.4	48%	0.479	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.6	-177.2	0	0	0	0	0	114.2	I62 T66	I62-A64 PolarHBondContact O-N 3.4Å; A64-T66 VanDerWaalsContact C-N 3.27Å
65	D	88.4	Confident	93.3	Very high	49 Å²	49	54.2 Å²	54.2	26%	0.262	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	0.1	176	58.7	-35.4	0	0	0	114.1	G44 A45 P63 V67	G44-D65 VanDerWaalsContact CA-OD2 3.22Å; G44-D65 WeakPolarHBondContact CA-OD2 3.29Å; A45-D65 PolarHBondContact N-OD2 3.36Å; A45-D65 CarbonylContact O-C 3.39Å; P63-D65 WeakPolarHBondContact CB-OD1 3.45Å; P63-D65 PolarHBondContact O-N 3.01Å; D65-V67 PolarHBondContact O-N 3.31Å
66	T	91	Very high	93.4	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.274	C	S	.	.			trans	-59.3	129.2	178	-56.5	0	0	0	0	112	A45 V48 P63 A64 L68 L69 R89 L90	A45-T66 WeakPolarHBondContact O-CA 3.48Å; A45-T66 PolarHBondContact O-N 3.08Å; V48-T66 HydrophobicContact CB-CG2 4.12Å; V48-T66 HydrophobicContact CG2-CG2 3.71Å; V48-T66 WeakPolarHBondContact CG2-OG1 3.35Å; P63-T66 VanDerWaalsContact O-CB 3.27Å; P63-T66 WeakPolarHBondContact O-CB 3.26Å; P63-T66 PolarHBondContact O-N 3.21Å; P63-T66 VanDerWaalsContact O-N 3.11Å; P63-T66 PolarHBondContact O-OG1 2.98Å; A64-T66 VanDerWaalsContact C-N 3.27Å; T66-L68 VanDerWaalsContact CG2-O 3.26Å; T66-L68 WeakPolarHBondContact CG2-O 3.33Å; T66-L69 HydrophobicContact CG2-CB 4.17Å; T66-R89 CarbonylContact O-C 3.35Å; T66-L90 HydrophobicContact CG2-CD1 3.81Å; T66-L90 WeakPolarHBondContact O-CA 3.43Å; T66-L90 PolarHBondContact O-N 2.94Å
67	V	92.8	Very high	93.5	Very high	36 Å²	36	48 Å²	48	22%	0.218	26%	0.255	C	S	.	.	S	Bend	trans	-106.2	-34.6	176.3	-179.9	0	0	0	0	111.4	V46 D65 R91 E92	V46-V67 HydrophobicContact CG1-CB 3.82Å; V46-V67 HydrophobicContact CG1-CG2 3.93Å; V46-V67 CarbonylContact O-C 3.56Å; V46-V67 WeakPolarHBondContact O-CA 3.3Å; V46-V67 VanDerWaalsContact O-CB 3.28Å; V46-V67 WeakPolarHBondContact O-CB 3.03Å; V46-V67 PolarHBondContact O-N 3.03Å; D65-V67 PolarHBondContact O-N 3.31Å; V67-R91 HydrophobicContact CG1-CB 3.87Å; V67-R91 HydrophobicContact CG1-CG 3.77Å; V67-R91 PolarHBondContact O-N 3.31Å; V67-E92 PolarHBondContact O-N 3.26Å; V67-E92 VanDerWaalsContact O-N 3.1Å
68	L	94.1	Very high	93.5	Very high	32 Å²	32	46 Å²	46	17%	0.168	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	121.7	177.7	171	64.8	0	0	0	109.7	V46 A47 V48 Y49 T66 K70 E92	V46-L68 PolarHBondContact O-N 2.96Å; A47-L68 CarbonylContact C-O 3.56Å; A47-L68 VanDerWaalsContact CA-O 3.29Å; A47-L68 WeakPolarHBondContact CA-O 3.36Å; A47-L68 HydrophobicContact CB-CB 3.99Å; A47-L68 HydrophobicContact CB-CD2 4.06Å; A47-L68 HydrophobicContact CB-CG 4.32Å; V48-L68 PolarHBondContact N-O 2.99Å; Y49-L68 HydrophobicContact CE1-CD2 4.43Å; T66-L68 VanDerWaalsContact CG2-O 3.26Å; T66-L68 WeakPolarHBondContact CG2-O 3.33Å; L68-K70 HydrophobicContact CD1-CG 4.24Å; L68-K70 HydrophobicContact CG-CG 4.33Å; L68-E92 HydrophobicContact CD1-CB 3.53Å
69	L	95.6	Very high	93.6	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	117.6	176.9	178.6	58	0	0	0	110	V48 I62 T66 L71 F84 L87 L90 E92 L93 D94	V48-L69 HydrophobicContact CB-CD1 3.9Å; V48-L69 HydrophobicContact CG1-CD1 3.92Å; I62-L69 HydrophobicContact CD1-CD1 4.12Å; I62-L69 HydrophobicContact CD1-CD2 3.81Å; I62-L69 HydrophobicContact CG2-CD1 4.44Å; T66-L69 HydrophobicContact CG2-CB 4.17Å; L69-L71 HydrophobicContact CD1-CD1 4.19Å; L69-L71 HydrophobicContact CD1-CG 4.07Å; L69-L71 HydrophobicContact CD2-CD1 3.75Å; L69-L71 HydrophobicContact CD2-CG 4.49Å; L69-L71 HydrophobicContact CG-CD1 3.86Å; L69-L71 HydrophobicContact CG-CG 4.08Å; L69-F84 HydrophobicContact CD2-CD1 4.21Å; L69-F84 HydrophobicContact CD2-CE1 4.01Å; L69-L87 HydrophobicContact CD2-CD1 3.86Å; L69-L90 HydrophobicContact CB-CD1 3.6Å; L69-L90 HydrophobicContact CB-CD2 4.38Å; L69-E92 PolarHBondContact N-O 2.95Å; L69-L93 HydrophobicContact CB-CD1 4.04Å; L69-L93 HydrophobicContact CD2-CD1 3.83Å; L69-L93 HydrophobicContact CG-CD1 3.92Å; L69-D94 PolarHBondContact O-N 3.42Å
70	K	96.8	Very high	93.8	Very high	56 Å²	56	47.9 Å²	47.9	24%	0.243	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	106.4	178.6	-69.9	-87.2	168.6	-179.8	0	109.1	V48 Y49 C50 L68 D94	V48-K70 PolarHBondContact O-N 3.44Å; Y49-K70 HydrophobicContact CD1-CB 3.89Å; Y49-K70 HydrophobicContact CD1-CG 3.79Å; Y49-K70 HydrophobicContact CE1-CG 3.91Å; C50-K70 WeakPolarHBondContact CA-O 3.41Å; C50-K70 WeakPolarHBondContact CB-O 3.36Å; C50-K70 PolarHBondContact N-O 3.5Å; L68-K70 HydrophobicContact CD1-CG 4.24Å; L68-K70 HydrophobicContact CG-CG 4.33Å; K70-D94 HydrophobicContact CD-CB 3.74Å; K70-D94 IonicContact NZ-OD2 2.7Å; K70-D94 PolarHBondContact NZ-OD2 2.89Å
71	L	96.9	Very high	94.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.			trans	-117.8	18.6	177	-77.8	164	0	0	0	111.3	C50 L55 V58 L69 N74 I76 F84 L93 D94 L95 N98	C50-L71 HydrophobicContact CB-CD2 3.53Å; C50-L71 HydrophobicContact CB-CG 4.33Å; L55-L71 HydrophobicContact CD1-CD2 3.84Å; V58-L71 HydrophobicContact CG1-CD1 4.11Å; V58-L71 HydrophobicContact CG2-CD1 4.42Å; L69-L71 HydrophobicContact CD1-CD1 4.19Å; L69-L71 HydrophobicContact CD1-CG 4.07Å; L69-L71 HydrophobicContact CD2-CD1 3.75Å; L69-L71 HydrophobicContact CD2-CG 4.49Å; L69-L71 HydrophobicContact CG-CD1 3.86Å; L69-L71 HydrophobicContact CG-CG 4.08Å; L71-N74 PolarHBondContact O-ND2 2.87Å; L71-I76 HydrophobicContact CB-CD1 4.41Å; L71-I76 HydrophobicContact CD2-CD1 4.42Å; L71-F84 HydrophobicContact CD1-CE1 4.21Å; L71-L93 HydrophobicContact CD1-CD1 4.49Å; L71-D94 CarbonylContact C-O 3.58Å; L71-D94 WeakPolarHBondContact CA-O 3.44Å; L71-D94 WeakPolarHBondContact CB-O 3.17Å; L71-D94 PolarHBondContact N-O 3.25Å; L71-L95 HydrophobicContact CB-CD2 3.73Å; L71-L95 HydrophobicContact CD1-CD2 3.94Å; L71-L95 HydrophobicContact CG-CD2 4.5Å; L71-N98 PolarHBondContact O-ND2 3.47Å
72	D	97.9	Very high	94.2	Very high	31 Å²	31	38.3 Å²	38.3	17%	0.166	22%	0.217	C	C	.	.			trans	-63.9	156	-177.9	60.4	-71.3	0	0	0	113.2	S51 L52 N74 D94 S96	S51-D72 VanDerWaalsContact CA-O 3.25Å; S51-D72 WeakPolarHBondContact CA-O 3.35Å; S51-D72 WeakPolarHBondContact CB-OD1 3.22Å; S51-D72 WeakPolarHBondContact CB-OD2 3.45Å; S51-D72 PolarHBondContact OG-OD1 2.85Å; S51-D72 PolarHBondContact OG-OD2 3.28Å; L52-D72 PolarHBondContact N-O 3.46Å; D72-N74 VanDerWaalsContact C-N 3.31Å; D72-N74 PolarHBondContact O-N 3.3Å; D72-N74 PolarHBondContact O-ND2 3.47Å; D72-D94 PolarHBondContact N-O 2.95Å; D72-S96 CarbonylContact C-O 3.15Å; D72-S96 WeakPolarHBondContact CA-O 3.34Å; D72-S96 WeakPolarHBondContact CB-OG 3.49Å
73	A	97.6	Very high	94.4	Very high	30 Å²	30	38.8 Å²	38.8	25%	0.248	23%	0.225	C	C	.	.	S	Bend	trans	55.3	44.5	175.5	0	0	0	0	0	113.2	L52 S96 H97	L52-A73 VanDerWaalsContact CA-O 3.28Å; L52-A73 WeakPolarHBondContact CA-O 3.4Å; L52-A73 HydrophobicContact CD2-CB 3.86Å; L52-A73 HydrophobicContact CG-CB 3.7Å; L52-A73 PolarHBondContact N-O 2.87Å; A73-S96 PolarHBondContact N-O 3.21Å; A73-H97 WeakPolarHBondContact CA-O 3.37Å; A73-H97 HydrophobicContact CB-CB 4.23Å; A73-H97 PolarHBondContact N-O 2.76Å
74	N	97.8	Very high	94.6	Very high	11 Å²	11	38.6 Å²	38.6	6%	0.059	22%	0.223	C	C	.	.	S	Bend	trans	-113.6	-163.7	173.5	-78.8	-58.3	0	0	0	110.5	C50 R53 G54 L55 L71 D72 I76 H97 N98	C50-N74 PolarHBondContact O-ND2 3.38Å; R53-N74 WeakPolarHBondContact CA-OD1 3.31Å; R53-N74 PolarHBondContact N-OD1 3.17Å; G54-N74 PolarHBondContact N-OD1 3.5Å; L55-N74 HydrophobicContact CB-CB 4.13Å; L55-N74 PolarHBondContact N-OD1 2.96Å; L55-N74 VanDerWaalsContact N-OD1 3.14Å; L71-N74 PolarHBondContact O-ND2 2.87Å; D72-N74 VanDerWaalsContact C-N 3.31Å; D72-N74 PolarHBondContact O-N 3.3Å; D72-N74 PolarHBondContact O-ND2 3.47Å; N74-I76 HydrophobicContact CB-CD1 4.44Å; N74-I76 HydrophobicContact CB-CG1 4.26Å; N74-H97 PolarHBondContact N-O 3.44Å; N74-N98 VanDerWaalsContact CA-OD1 3.27Å; N74-N98 WeakPolarHBondContact CA-OD1 3.15Å; N74-N98 WeakPolarHBondContact CB-OD1 3.23Å; N74-N98 PolarHBondContact N-OD1 2.9Å; N74-N98 PolarHBondContact O-OD1 3.39Å
75	K	97.4	Very high	94.8	Very high	139 Å²	139	41 Å²	41	60%	0.604	22%	0.224	S	C	*	.			trans	-122.5	28.5	-177.9	-61.3	-178.5	-179.8	179.5	0	111.4	L55 Q56 S77 N98	L55-K75 CarbonylContact O-C 3.5Å; L55-K75 VanDerWaalsContact O-CA 3.27Å; L55-K75 WeakPolarHBondContact O-CA 3.31Å; L55-K75 PolarHBondContact O-N 3.04Å; Q56-K75 HydrophobicContact CG-CB 4.48Å; K75-S77 PolarHBondContact O-N 2.97Å; K75-N98 PolarHBondContact N-OD1 3.48Å
76	I	97.6	Very high	94.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.			trans	-69.9	125.2	-177.4	-57.5	170.4	0	0	0	108.4	L55 Q56 V58 L71 N74 L79 L95 N98 A99 I100	L55-I76 HydrophobicContact CB-CG1 4.48Å; L55-I76 PolarHBondContact O-N 3.31Å; Q56-I76 WeakPolarHBondContact O-CA 3.44Å; V58-I76 HydrophobicContact CG2-CD1 4.24Å; L71-I76 HydrophobicContact CB-CD1 4.41Å; L71-I76 HydrophobicContact CD2-CD1 4.42Å; N74-I76 HydrophobicContact CB-CD1 4.44Å; N74-I76 HydrophobicContact CB-CG1 4.26Å; I76-L79 HydrophobicContact CG2-CD2 3.92Å; I76-L95 HydrophobicContact CD1-CD2 4.23Å; I76-N98 HydrophobicContact CB-CB 4.39Å; I76-N98 WeakPolarHBondContact CB-OD1 3.46Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.2Å; I76-N98 PolarHBondContact N-OD1 2.89Å; I76-A99 CarbonylContact O-C 3.56Å; I76-A99 WeakPolarHBondContact O-CA 3.27Å; I76-A99 PolarHBondContact O-N 3.47Å; I76-I100 HydrophobicContact CB-CG1 4.45Å; I76-I100 HydrophobicContact CG2-CG1 4.27Å; I76-I100 WeakPolarHBondContact O-CG1 3.17Å; I76-I100 PolarHBondContact O-N 2.91Å
77	S	96.4	Very high	94.9	Very high	39 Å²	39	45.5 Å²	45.5	27%	0.273	24%	0.244	S	C	.	.			trans	-109	-26.9	-177.7	63.5	0	0	0	0	114.6	K75 A99 I100 E101	K75-S77 PolarHBondContact O-N 2.97Å; S77-A99 WeakPolarHBondContact CA-O 3.02Å; S77-I100 WeakPolarHBondContact O-CA 3.31Å; S77-E101 PolarHBondContact O-N 3.41Å
78	H	95.6	Very high	94.9	Very high	104 Å²	104	49.9 Å²	49.9	48%	0.481	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	139.4	-179	-55.8	-63	0	0	0	110.5	A102	H78-A102 WeakPolarHBondContact CA-O 3.41Å
79	L	96.3	Very high	94.8	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.016	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	108.4	170.4	-62.6	178	0	0	0	109.2	V58 I76 F84 L95 I100 A102 I103 G104 T107 F108	V58-L79 HydrophobicContact CG2-CD2 3.65Å; I76-L79 HydrophobicContact CG2-CD2 3.92Å; L79-F84 HydrophobicContact CD1-CE2 4.41Å; L79-F84 HydrophobicContact CD2-CE2 4.3Å; L79-F84 HydrophobicContact CD2-CZ 4.26Å; L79-L95 HydrophobicContact CD1-CD1 3.89Å; L79-I100 HydrophobicContact CD1-CD1 4.07Å; L79-I100 HydrophobicContact CD1-CG2 4.4Å; L79-I100 HydrophobicContact CG-CD1 4.31Å; L79-I100 HydrophobicContact CG-CG2 4.35Å; L79-A102 PolarHBondContact N-O 3.5Å; L79-I103 HydrophobicContact CB-CG2 4.45Å; L79-I103 HydrophobicContact CD1-CD1 4.43Å; L79-I103 HydrophobicContact CD1-CG1 4.17Å; L79-G104 PolarHBondContact O-N 3.28Å; L79-T107 HydrophobicContact CB-CG2 3.65Å; L79-T107 HydrophobicContact CD1-CG2 4.17Å; L79-T107 HydrophobicContact CG-CG2 4.5Å; L79-T107 PolarHBondContact O-OG1 2.92Å; L79-T107 VanDerWaalsContact O-OG1 3.05Å; L79-F108 HydrophobicContact CD1-CE1 4.38Å; L79-F108 HydrophobicContact CD1-CZ 3.97Å
80	P	94.6	Very high	94.7	Very high	81 Å²	81	56.5 Å²	56.5	53%	0.526	29%	0.285	S	S	.	.			trans	-71.1	166.7	179.1	29.2	-34	0	0	0	111.8	A83 T107	P80-A83 HydrophobicContact CG-CB 4.14Å; P80-A83 WeakPolarHBondContact O-CB 3.3Å; P80-A83 PolarHBondContact O-N 3.35Å; P80-T107 PolarHBondContact O-OG1 3.26Å
81	D	93.6	Very high	94.6	Very high	91 Å²	91	59.4 Å²	59.4	49%	0.487	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	138.7	171.8	-74.7	-26.6	0	0	0	110.8	A83 G104 P105 A106	D81-A83 PolarHBondContact O-N 3.45Å; D81-G104 WeakPolarHBondContact OD1-CA 3.35Å; D81-P105 WeakPolarHBondContact OD1-CD 3.45Å; D81-P105 VanDerWaalsContact OD1-N 3.14Å; D81-A106 HydrophobicContact CB-CB 4.11Å; D81-A106 WeakPolarHBondContact OD1-CA 3.41Å; D81-A106 PolarHBondContact OD1-N 3.32Å
82	G	90.1	Very high	94.6	Very high	19 Å²	19	63.6 Å²	63.6	20%	0.196	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	68	11.6	179.2	0	0	0	0	0	115.7	F84 Q85 A106	G82-F84 PolarHBondContact O-N 2.91Å; G82-Q85 VanDerWaalsContact O-CB 3.26Å; G82-Q85 WeakPolarHBondContact O-CB 3.27Å; G82-Q85 PolarHBondContact O-N 2.91Å; G82-A106 PolarHBondContact N-O 3.49Å
83	A	92.8	Very high	94.6	Very high	31 Å²	31	62.2 Å²	62.2	26%	0.256	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-30.6	178.7	0	0	0	0	0	113.7	P80 D81 T107	P80-A83 HydrophobicContact CG-CB 4.14Å; P80-A83 WeakPolarHBondContact O-CB 3.3Å; P80-A83 PolarHBondContact O-N 3.35Å; D81-A83 PolarHBondContact O-N 3.45Å; A83-T107 HydrophobicContact CB-CG2 4.28Å
84	F	94.8	Very high	94.6	Very high	1 Å²	1	61.5 Å²	61.5	0%	0.004	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	19.5	178.5	-50.8	-75.2	0	0	0	113	V58 L69 L71 L79 G82 H86 L87 L93 L95 T107 F108 L111	V58-F84 HydrophobicContact CG1-CD1 4.37Å; V58-F84 HydrophobicContact CG1-CE1 3.69Å; V58-F84 HydrophobicContact CG1-CZ 4.21Å; V58-F84 HydrophobicContact CG2-CE1 4.16Å; V58-F84 HydrophobicContact CG2-CZ 3.83Å; L69-F84 HydrophobicContact CD2-CD1 4.21Å; L69-F84 HydrophobicContact CD2-CE1 4.01Å; L71-F84 HydrophobicContact CD1-CE1 4.21Å; L79-F84 HydrophobicContact CD1-CE2 4.41Å; L79-F84 HydrophobicContact CD2-CE2 4.3Å; L79-F84 HydrophobicContact CD2-CZ 4.26Å; G82-F84 PolarHBondContact O-N 2.91Å; F84-H86 VanDerWaalsContact C-N 3.25Å; F84-H86 PolarHBondContact O-N 3.43Å; F84-L87 HydrophobicContact CB-CD1 4.4Å; F84-L87 HydrophobicContact CD1-CD1 3.98Å; F84-L87 PolarHBondContact O-N 2.91Å; F84-L87 VanDerWaalsContact O-N 3.13Å; F84-L93 HydrophobicContact CD1-CD2 4.27Å; F84-L93 HydrophobicContact CD2-CD2 4.12Å; F84-L93 HydrophobicContact CE1-CD1 4.14Å; F84-L93 HydrophobicContact CE1-CD2 4.03Å; F84-L93 HydrophobicContact CE2-CD2 3.9Å; F84-L93 HydrophobicContact CG-CD2 4.3Å; F84-L93 HydrophobicContact CZ-CD1 4.39Å; F84-L93 HydrophobicContact CZ-CD2 3.85Å; F84-L95 HydrophobicContact CE2-CD1 4.31Å; F84-L95 HydrophobicContact CZ-CD1 4Å; F84-L95 HydrophobicContact CZ-CD2 4.44Å; F84-T107 HydrophobicContact CD2-CG2 3.99Å; F84-T107 HydrophobicContact CE2-CG2 3.96Å; F84-F108 AromaticContact CD2-CD1 3.82Å; F84-F108 HydrophobicContact CD2-CD1 3.82Å; F84-F108 AromaticContact CD2-CE1 3.91Å; F84-F108 HydrophobicContact CD2-CE1 3.91Å; F84-F108 HydrophobicContact CE2-CD1 4.15Å; F84-F108 AromaticContact CE2-CE1 3.73Å; F84-F108 HydrophobicContact CE2-CE1 3.73Å; F84-L111 HydrophobicContact CB-CD1 3.72Å; F84-L111 HydrophobicContact CB-CD2 3.92Å; F84-L111 HydrophobicContact CB-CG 3.88Å; F84-L111 HydrophobicContact CD2-CD1 4.33Å; F84-L111 HydrophobicContact CG-CD1 4.13Å
85	Q	92	Very high	94.6	Very high	108 Å²	108	61 Å²	61	51%	0.505	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-36.7	-170.6	-174.8	172.3	7.7	0	0	113.1	G82 H88	G82-Q85 VanDerWaalsContact O-CB 3.26Å; G82-Q85 WeakPolarHBondContact O-CB 3.27Å; G82-Q85 PolarHBondContact O-N 2.91Å; Q85-H88 PolarHBondContact O-CE1 3.41Å; Q85-H88 PolarHBondContact O-ND1 3.25Å; Q85-H88 PolarHBondContact O-NE2 2.91Å
86	H	90.4	Very high	94.6	Very high	136 Å²	136	54.9 Å²	54.9	63%	0.63	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.9	-175.7	-53.8	96.1	0	0	0	113.9	F84 H88	F84-H86 VanDerWaalsContact C-N 3.25Å; F84-H86 PolarHBondContact O-N 3.43Å; H86-H88 VanDerWaalsContact C-N 3.35Å; H86-H88 PolarHBondContact O-N 3.32Å
87	L	92.7	Very high	94.6	Very high	8 Å²	8	59.4 Å²	59.4	4%	0.042	29%	0.291	C	S	.	.			trans	-93.8	53.6	-173.1	-55.5	-177	0	0	0	112.2	I62 P63 L69 F84 R89 L90 L111	I62-L87 HydrophobicContact CB-CD2 4.24Å; I62-L87 HydrophobicContact CG2-CD1 4.05Å; I62-L87 HydrophobicContact CG2-CD2 3.78Å; P63-L87 WeakPolarHBondContact O-CD2 3.46Å; L69-L87 HydrophobicContact CD2-CD1 3.86Å; F84-L87 HydrophobicContact CB-CD1 4.4Å; F84-L87 HydrophobicContact CD1-CD1 3.98Å; F84-L87 PolarHBondContact O-N 2.91Å; F84-L87 VanDerWaalsContact O-N 3.13Å; L87-R89 PolarHBondContact O-N 3.5Å; L87-L90 HydrophobicContact CB-CB 4.13Å; L87-L90 HydrophobicContact CD1-CD2 4.29Å; L87-L90 VanDerWaalsContact O-CB 3.24Å; L87-L90 WeakPolarHBondContact O-CB 3.46Å; L87-L90 PolarHBondContact O-N 3.44Å; L87-L111 HydrophobicContact CB-CD2 4.1Å; L87-L111 VanDerWaalsContact O-CD2 3.26Å; L87-L111 WeakPolarHBondContact O-CD2 3.35Å
88	H	91.6	Very high	94.7	Very high	128 Å²	128	58.2 Å²	58.2	59%	0.593	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.3	-173.6	-57.1	-56	0	0	0	115.1	Q85 H86 G110	Q85-H88 PolarHBondContact O-CE1 3.41Å; Q85-H88 PolarHBondContact O-ND1 3.25Å; Q85-H88 PolarHBondContact O-NE2 2.91Å; H86-H88 VanDerWaalsContact C-N 3.35Å; H86-H88 PolarHBondContact O-N 3.32Å; H88-G110 PolarHBondContact ND1-O 3.04Å
89	R	91.6	Very high	94.8	Very high	170 Å²	170	54.2 Å²	54.2	64%	0.642	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-3.6	179.3	-67.5	-171.8	174.1	172.7	0.2	113.6	T66 L87 R91	T66-R89 CarbonylContact O-C 3.35Å; L87-R89 PolarHBondContact O-N 3.5Å; R89-R91 PolarHBondContact O-N 2.92Å
90	L	94.6	Very high	94.9	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.266	C	S	.	.			trans	-65	128.7	-176.5	-161.1	71.5	0	0	0	110.4	T66 L69 L87 L93 L111 G114 L115	T66-L90 HydrophobicContact CG2-CD1 3.81Å; T66-L90 WeakPolarHBondContact O-CA 3.43Å; T66-L90 PolarHBondContact O-N 2.94Å; L69-L90 HydrophobicContact CB-CD1 3.6Å; L69-L90 HydrophobicContact CB-CD2 4.38Å; L87-L90 HydrophobicContact CB-CB 4.13Å; L87-L90 HydrophobicContact CD1-CD2 4.29Å; L87-L90 VanDerWaalsContact O-CB 3.24Å; L87-L90 WeakPolarHBondContact O-CB 3.46Å; L87-L90 PolarHBondContact O-N 3.44Å; L90-L93 HydrophobicContact CD2-CB 3.94Å; L90-L93 HydrophobicContact CD2-CD1 4.38Å; L90-L93 HydrophobicContact CD2-CD2 4.27Å; L90-L93 HydrophobicContact CD2-CG 4.44Å; L90-L111 HydrophobicContact CB-CD2 3.92Å; L90-L111 HydrophobicContact CD2-CD1 4.04Å; L90-L111 HydrophobicContact CD2-CD2 4.01Å; L90-G114 CarbonylContact O-C 3.55Å; L90-L115 HydrophobicContact CB-CD1 4.45Å; L90-L115 HydrophobicContact CD2-CD1 4.17Å; L90-L115 HydrophobicContact CG-CD1 4.14Å; L90-L115 PolarHBondContact O-N 3.48Å
91	R	95.2	Very high	94.9	Very high	117 Å²	117	54.7 Å²	54.7	44%	0.442	26%	0.262	S	S	.	.			trans	-112	-32.8	177.7	-68	-176.9	-177.7	-168.6	-0.2	111.6	V67 R89 R116 L117	V67-R91 HydrophobicContact CG1-CB 3.87Å; V67-R91 HydrophobicContact CG1-CG 3.77Å; V67-R91 PolarHBondContact O-N 3.31Å; R89-R91 PolarHBondContact O-N 2.92Å; R91-R116 HydrophobicContact CB-CG 4.32Å; R91-R116 WeakPolarHBondContact O-CA 3.35Å; R91-R116 WeakPolarHBondContact O-CB 3.17Å; R91-R116 PolarHBondContact O-N 3.47Å; R91-L117 PolarHBondContact O-N 2.86Å
92	E	96.2	Very high	94.9	Very high	87 Å²	87	52.7 Å²	52.7	41%	0.407	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	123.5	-176.9	-64.9	-176.9	-159.6	0	0	109.5	V67 L68 L69 L117	V67-E92 PolarHBondContact O-N 3.26Å; V67-E92 VanDerWaalsContact O-N 3.1Å; L68-E92 HydrophobicContact CD1-CB 3.53Å; L69-E92 PolarHBondContact N-O 2.95Å; E92-L117 WeakPolarHBondContact CA-O 3.41Å; E92-L117 HydrophobicContact CG-CB 4.15Å
93	L	97.5	Very high	95.2	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.7	176.9	177.4	53	0	0	0	108.9	L69 L71 F84 L90 L95 F108 L111 L115 L117 L118 D119	L69-L93 HydrophobicContact CB-CD1 4.04Å; L69-L93 HydrophobicContact CD2-CD1 3.83Å; L69-L93 HydrophobicContact CG-CD1 3.92Å; L71-L93 HydrophobicContact CD1-CD1 4.49Å; F84-L93 HydrophobicContact CD1-CD2 4.27Å; F84-L93 HydrophobicContact CD2-CD2 4.12Å; F84-L93 HydrophobicContact CE1-CD1 4.14Å; F84-L93 HydrophobicContact CE1-CD2 4.03Å; F84-L93 HydrophobicContact CE2-CD2 3.9Å; F84-L93 HydrophobicContact CG-CD2 4.3Å; F84-L93 HydrophobicContact CZ-CD1 4.39Å; F84-L93 HydrophobicContact CZ-CD2 3.85Å; L90-L93 HydrophobicContact CD2-CB 3.94Å; L90-L93 HydrophobicContact CD2-CD1 4.38Å; L90-L93 HydrophobicContact CD2-CD2 4.27Å; L90-L93 HydrophobicContact CD2-CG 4.44Å; L93-L95 HydrophobicContact CD1-CD1 4.2Å; L93-L95 HydrophobicContact CD1-CG 4Å; L93-L95 HydrophobicContact CD2-CD1 3.83Å; L93-L95 HydrophobicContact CG-CD1 3.9Å; L93-L95 HydrophobicContact CG-CG 4.08Å; L93-F108 HydrophobicContact CD2-CD1 4.43Å; L93-F108 HydrophobicContact CD2-CE1 4.03Å; L93-L111 HydrophobicContact CD2-CD1 4.07Å; L93-L115 HydrophobicContact CB-CD1 4.11Å; L93-L117 PolarHBondContact N-O 3.21Å; L93-L118 HydrophobicContact CB-CD1 4.02Å; L93-L118 HydrophobicContact CD2-CD1 3.84Å; L93-L118 HydrophobicContact CG-CD1 3.85Å; L93-L118 WeakPolarHBondContact O-CA 3.44Å; L93-D119 PolarHBondContact O-N 2.81Å
94	D	97.9	Very high	95.2	Very high	16 Å²	16	52 Å²	52	9%	0.086	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113.2	176.2	-165.2	-18.9	0	0	0	109.7	L69 K70 L71 D72 S96	L69-D94 PolarHBondContact O-N 3.42Å; K70-D94 HydrophobicContact CD-CB 3.74Å; K70-D94 IonicContact NZ-OD2 2.7Å; K70-D94 PolarHBondContact NZ-OD2 2.89Å; L71-D94 CarbonylContact C-O 3.58Å; L71-D94 WeakPolarHBondContact CA-O 3.44Å; L71-D94 WeakPolarHBondContact CB-O 3.17Å; L71-D94 PolarHBondContact N-O 3.25Å; D72-D94 PolarHBondContact N-O 2.95Å; D94-S96 VanDerWaalsContact OD1-CB 3.27Å; D94-S96 WeakPolarHBondContact OD1-CB 3.33Å; D94-S96 PolarHBondContact OD1-N 2.89Å; D94-S96 PolarHBondContact OD1-OG 2.87Å
95	L	97.8	Very high	95.1	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.27	C	S	.	.			trans	-120.1	18.4	176.1	-73.8	162.6	0	0	0	110.4	L71 I76 L79 F84 L93 N98 I100 L118 D119 L120 N123	L71-L95 HydrophobicContact CB-CD2 3.73Å; L71-L95 HydrophobicContact CD1-CD2 3.94Å; L71-L95 HydrophobicContact CG-CD2 4.5Å; I76-L95 HydrophobicContact CD1-CD2 4.23Å; L79-L95 HydrophobicContact CD1-CD1 3.89Å; F84-L95 HydrophobicContact CE2-CD1 4.31Å; F84-L95 HydrophobicContact CZ-CD1 4Å; F84-L95 HydrophobicContact CZ-CD2 4.44Å; L93-L95 HydrophobicContact CD1-CD1 4.2Å; L93-L95 HydrophobicContact CD1-CG 4Å; L93-L95 HydrophobicContact CD2-CD1 3.83Å; L93-L95 HydrophobicContact CG-CD1 3.9Å; L93-L95 HydrophobicContact CG-CG 4.08Å; L95-N98 PolarHBondContact O-ND2 2.88Å; L95-I100 HydrophobicContact CB-CD1 3.95Å; L95-I100 HydrophobicContact CD1-CD1 4.44Å; L95-I100 HydrophobicContact CD2-CD1 4.38Å; L95-L118 HydrophobicContact CD1-CD1 4.39Å; L95-D119 CarbonylContact C-O 3.09Å; L95-D119 WeakPolarHBondContact CA-O 3.36Å; L95-D119 PolarHBondContact N-O 3.47Å; L95-L120 HydrophobicContact CB-CD2 3.94Å; L95-L120 HydrophobicContact CD1-CD2 4.01Å; L95-N123 PolarHBondContact O-ND2 3.43Å
96	S	98	Very high	95.2	Very high	10 Å²	10	52 Å²	52	7%	0.07	26%	0.261	C	S	.	.			trans	-62.6	158	-179	63.9	0	0	0	0	112.1	D72 A73 D94 N98 D119 S121	D72-S96 CarbonylContact C-O 3.15Å; D72-S96 WeakPolarHBondContact CA-O 3.34Å; D72-S96 WeakPolarHBondContact CB-OG 3.49Å; A73-S96 PolarHBondContact N-O 3.21Å; D94-S96 VanDerWaalsContact OD1-CB 3.27Å; D94-S96 WeakPolarHBondContact OD1-CB 3.33Å; D94-S96 PolarHBondContact OD1-N 2.89Å; D94-S96 PolarHBondContact OD1-OG 2.87Å; S96-N98 VanDerWaalsContact C-N 3.28Å; S96-N98 PolarHBondContact O-N 3.26Å; S96-N98 PolarHBondContact O-ND2 3.39Å; S96-D119 PolarHBondContact N-O 3.36Å; S96-S121 CarbonylContact C-O 3.5Å; S96-S121 WeakPolarHBondContact CA-O 3.05Å; S96-S121 WeakPolarHBondContact CB-OG 3.32Å
97	H	97.9	Very high	95.4	Very high	96 Å²	96	45.5 Å²	45.5	44%	0.444	23%	0.231	S	C	.	.	S	Bend	trans	54.5	41.8	178.2	-63	-83.6	0	0	0	113.6	A73 N74 S121 Y122	A73-H97 WeakPolarHBondContact CA-O 3.37Å; A73-H97 HydrophobicContact CB-CB 4.23Å; A73-H97 PolarHBondContact N-O 2.76Å; N74-H97 PolarHBondContact N-O 3.44Å; H97-S121 PolarHBondContact N-O 2.75Å; H97-S121 VanDerWaalsContact N-O 3.07Å; H97-Y122 VanDerWaalsContact CA-O 3.24Å; H97-Y122 WeakPolarHBondContact CA-O 3.45Å; H97-Y122 AromaticContact CE1-CD1 3.57Å; H97-Y122 AromaticContact CE1-CD2 3.56Å; H97-Y122 AromaticContact CE1-CE1 3.99Å; H97-Y122 AromaticContact CE1-CG 3.32Å; H97-Y122 PolarHBondContact N-O 3.31Å; H97-Y122 AromaticContact ND1-CD1 3.96Å; H97-Y122 AromaticContact ND1-CG 3.66Å; H97-Y122 AromaticContact NE2-CD2 3.56Å; H97-Y122 AromaticContact NE2-CE2 4Å; H97-Y122 AromaticContact NE2-CG 3.78Å
98	N	98.3	Very high	95.5	Very high	13 Å²	13	45.2 Å²	45.2	7%	0.07	23%	0.229	C	C	.	.	S	Bend	trans	-109.2	-167.4	170.9	-85.8	-81.4	0	0	0	110	L71 N74 K75 I76 L95 S96 I100 Y122 N123	L71-N98 PolarHBondContact O-ND2 3.47Å; N74-N98 VanDerWaalsContact CA-OD1 3.27Å; N74-N98 WeakPolarHBondContact CA-OD1 3.15Å; N74-N98 WeakPolarHBondContact CB-OD1 3.23Å; N74-N98 PolarHBondContact N-OD1 2.9Å; N74-N98 PolarHBondContact O-OD1 3.39Å; K75-N98 PolarHBondContact N-OD1 3.48Å; I76-N98 HydrophobicContact CB-CB 4.39Å; I76-N98 WeakPolarHBondContact CB-OD1 3.46Å; I76-N98 WeakPolarHBondContact CG1-OD1 3.2Å; I76-N98 PolarHBondContact N-OD1 2.89Å; L95-N98 PolarHBondContact O-ND2 2.88Å; S96-N98 VanDerWaalsContact C-N 3.28Å; S96-N98 PolarHBondContact O-N 3.26Å; S96-N98 PolarHBondContact O-ND2 3.39Å; N98-I100 HydrophobicContact CB-CD1 4.09Å; N98-I100 HydrophobicContact CB-CG1 3.98Å; N98-Y122 PolarHBondContact N-O 3.44Å; N98-N123 VanDerWaalsContact CA-OD1 3.29Å; N98-N123 WeakPolarHBondContact CA-OD1 3.4Å; N98-N123 WeakPolarHBondContact CB-OD1 3.41Å; N98-N123 PolarHBondContact N-OD1 2.01Å; N98-N123 PolarHBondContact O-OD1 3.04Å
99	A	97.5	Very high	95.5	Very high	20 Å²	20	41.9 Å²	41.9	17%	0.165	22%	0.224	C	C	.	.			trans	-115.4	30.2	176.9	0	0	0	0	0	111.3	I76 S77 E101 N123	I76-A99 CarbonylContact O-C 3.56Å; I76-A99 WeakPolarHBondContact O-CA 3.27Å; I76-A99 PolarHBondContact O-N 3.47Å; S77-A99 WeakPolarHBondContact CA-O 3.02Å; A99-E101 PolarHBondContact O-N 3.19Å; A99-N123 PolarHBondContact N-OD1 3.13Å
100	I	97.8	Very high	95.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.202	C	C	.	.			trans	-67.1	119.5	-170	-61	163.6	0	0	0	109.5	I76 S77 L79 L95 N98 I103 L120 N123 R124 I125	I76-I100 HydrophobicContact CB-CG1 4.45Å; I76-I100 HydrophobicContact CG2-CG1 4.27Å; I76-I100 WeakPolarHBondContact O-CG1 3.17Å; I76-I100 PolarHBondContact O-N 2.91Å; S77-I100 WeakPolarHBondContact O-CA 3.31Å; L79-I100 HydrophobicContact CD1-CD1 4.07Å; L79-I100 HydrophobicContact CD1-CG2 4.4Å; L79-I100 HydrophobicContact CG-CD1 4.31Å; L79-I100 HydrophobicContact CG-CG2 4.35Å; L95-I100 HydrophobicContact CB-CD1 3.95Å; L95-I100 HydrophobicContact CD1-CD1 4.44Å; L95-I100 HydrophobicContact CD2-CD1 4.38Å; N98-I100 HydrophobicContact CB-CD1 4.09Å; N98-I100 HydrophobicContact CB-CG1 3.98Å; I100-I103 HydrophobicContact CG2-CD1 4.2Å; I100-I103 HydrophobicContact CG2-CG1 3.76Å; I100-L120 HydrophobicContact CD1-CD2 4.05Å; I100-N123 HydrophobicContact CB-CB 4.24Å; I100-N123 VanDerWaalsContact CB-OD1 3.3Å; I100-N123 WeakPolarHBondContact CB-OD1 3.31Å; I100-N123 VanDerWaalsContact CG1-OD1 3.31Å; I100-N123 WeakPolarHBondContact CG1-OD1 3.3Å; I100-N123 PolarHBondContact N-OD1 2.82Å; I100-R124 CarbonylContact O-C 3.48Å; I100-R124 WeakPolarHBondContact O-CA 3.09Å; I100-R124 PolarHBondContact O-N 2.96Å; I100-I125 HydrophobicContact CG2-CG1 4.37Å; I100-I125 WeakPolarHBondContact O-CG1 3.39Å; I100-I125 PolarHBondContact O-N 3.25Å; I100-I125 VanDerWaalsContact O-N 3.17Å
101	E	95.2	Very high	95.4	Very high	95 Å²	95	34.6 Å²	34.6	44%	0.444	20%	0.202	S	C	.	.			trans	-110.4	-33.3	179.1	-71.5	174.3	-167.9	0	0	111.5	S77 A99 R124	S77-E101 PolarHBondContact O-N 3.41Å; A99-E101 PolarHBondContact O-N 3.19Å; E101-R124 HydrophobicContact CG-CB 3.51Å; E101-R124 WeakPolarHBondContact OE1-CD 2.94Å; E101-R124 IonicContact OE1-NH1 3.67Å; E101-R124 PolarHBondContact OE1-NH1 2.79Å
102	A	93.1	Very high	95.1	Very high	49 Å²	49	30.6 Å²	30.6	41%	0.405	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.8	-177.9	0	0	0	0	0	112.2	H78 L79	H78-A102 WeakPolarHBondContact CA-O 3.41Å; L79-A102 PolarHBondContact N-O 3.5Å
103	I	95.8	Very high	94.6	Very high	23 Å²	23	30.7 Å²	30.7	12%	0.118	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	127.5	179.7	-56.4	179.2	0	0	0	107.4	L79 I100 T107 F108 L120 I125 P129 A132	L79-I103 HydrophobicContact CB-CG2 4.45Å; L79-I103 HydrophobicContact CD1-CD1 4.43Å; L79-I103 HydrophobicContact CD1-CG1 4.17Å; I100-I103 HydrophobicContact CG2-CD1 4.2Å; I100-I103 HydrophobicContact CG2-CG1 3.76Å; I103-T107 HydrophobicContact CG2-CG2 4.13Å; I103-F108 HydrophobicContact CD1-CE2 4.49Å; I103-F108 HydrophobicContact CG2-CD2 4.42Å; I103-F108 HydrophobicContact CG2-CE2 3.69Å; I103-F108 HydrophobicContact CG2-CZ 4.21Å; I103-L120 HydrophobicContact CD1-CD1 4.07Å; I103-L120 HydrophobicContact CD1-CD2 4.43Å; I103-I125 HydrophobicContact CD1-CD1 3.97Å; I103-P129 HydrophobicContact CB-CB 4.46Å; I103-P129 HydrophobicContact CB-CG 3.92Å; I103-P129 HydrophobicContact CD1-CG 4.17Å; I103-P129 HydrophobicContact CG2-CG 4.12Å; I103-A132 HydrophobicContact CG2-CB 4.24Å
104	G	93.9	Very high	94.2	Very high	13 Å²	13	31.8 Å²	31.8	13%	0.134	23%	0.229	C	C	.	.			trans	-67.1	148.5	177.3	0	0	0	0	0	113	L79 D81 A106 T107 A132	L79-G104 PolarHBondContact O-N 3.28Å; D81-G104 WeakPolarHBondContact OD1-CA 3.35Å; G104-A106 PolarHBondContact O-N 3.35Å; G104-A106 VanDerWaalsContact O-N 3.13Å; G104-T107 WeakPolarHBondContact CA-OG1 3.48Å; G104-T107 PolarHBondContact N-OG1 3.03Å; G104-T107 WeakPolarHBondContact O-CB 3.35Å; G104-T107 PolarHBondContact O-N 3.07Å; G104-T107 VanDerWaalsContact O-N 3.16Å; G104-T107 PolarHBondContact O-OG1 3.32Å; G104-A132 VanDerWaalsContact O-CB 3.31Å; G104-A132 WeakPolarHBondContact O-CB 3.41Å
105	P	92.1	Very high	94.1	Very high	70 Å²	70	31.4 Å²	31.4	46%	0.455	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-21.2	-178.3	27.3	-36.6	0	0	0	113.9	D81 D131 A132	D81-P105 WeakPolarHBondContact OD1-CD 3.45Å; D81-P105 VanDerWaalsContact OD1-N 3.14Å; P105-D131 HydrophobicContact CB-CB 4Å; P105-D131 CarbonylContact O-C 3.58Å; P105-A132 WeakPolarHBondContact O-CA 3.27Å
106	A	93.1	Very high	94	Very high	38 Å²	38	38.5 Å²	38.5	31%	0.314	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	13.4	179	0	0	0	0	0	113.1	D81 G82 G104 F108 A109	D81-A106 HydrophobicContact CB-CB 4.11Å; D81-A106 WeakPolarHBondContact OD1-CA 3.41Å; D81-A106 PolarHBondContact OD1-N 3.32Å; G82-A106 PolarHBondContact N-O 3.49Å; G104-A106 PolarHBondContact O-N 3.35Å; G104-A106 VanDerWaalsContact O-N 3.13Å; A106-F108 VanDerWaalsContact C-N 3.28Å; A106-F108 PolarHBondContact O-N 3.24Å; A106-A109 HydrophobicContact CB-CB 4.31Å; A106-A109 WeakPolarHBondContact O-CB 3.4Å; A106-A109 PolarHBondContact O-N 2.73Å
107	T	94.7	Very high	93.8	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-44.8	178.5	-66.6	0	0	0	0	112.7	L79 P80 A83 F84 I103 G104	L79-T107 HydrophobicContact CB-CG2 3.65Å; L79-T107 HydrophobicContact CD1-CG2 4.17Å; L79-T107 HydrophobicContact CG-CG2 4.5Å; L79-T107 PolarHBondContact O-OG1 2.92Å; L79-T107 VanDerWaalsContact O-OG1 3.05Å; P80-T107 PolarHBondContact O-OG1 3.26Å; A83-T107 HydrophobicContact CB-CG2 4.28Å; F84-T107 HydrophobicContact CD2-CG2 3.99Å; F84-T107 HydrophobicContact CE2-CG2 3.96Å; I103-T107 HydrophobicContact CG2-CG2 4.13Å; G104-T107 WeakPolarHBondContact CA-OG1 3.48Å; G104-T107 PolarHBondContact N-OG1 3.03Å; G104-T107 WeakPolarHBondContact O-CB 3.35Å; G104-T107 PolarHBondContact O-N 3.07Å; G104-T107 VanDerWaalsContact O-N 3.16Å; G104-T107 PolarHBondContact O-OG1 3.32Å
108	F	94.8	Very high	93.8	Very high	1 Å²	1	35.3 Å²	35.3	0%	0.004	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	11.8	-175.4	-50.9	-65.6	0	0	0	114	L79 F84 L93 I103 A106 G110 L111 L118 A132 L133 L136	L79-F108 HydrophobicContact CD1-CE1 4.38Å; L79-F108 HydrophobicContact CD1-CZ 3.97Å; F84-F108 AromaticContact CD2-CD1 3.82Å; F84-F108 HydrophobicContact CD2-CD1 3.82Å; F84-F108 AromaticContact CD2-CE1 3.91Å; F84-F108 HydrophobicContact CD2-CE1 3.91Å; F84-F108 HydrophobicContact CE2-CD1 4.15Å; F84-F108 AromaticContact CE2-CE1 3.73Å; F84-F108 HydrophobicContact CE2-CE1 3.73Å; L93-F108 HydrophobicContact CD2-CD1 4.43Å; L93-F108 HydrophobicContact CD2-CE1 4.03Å; I103-F108 HydrophobicContact CD1-CE2 4.49Å; I103-F108 HydrophobicContact CG2-CD2 4.42Å; I103-F108 HydrophobicContact CG2-CE2 3.69Å; I103-F108 HydrophobicContact CG2-CZ 4.21Å; A106-F108 VanDerWaalsContact C-N 3.28Å; A106-F108 PolarHBondContact O-N 3.24Å; F108-G110 VanDerWaalsContact C-N 3.25Å; F108-G110 PolarHBondContact O-N 3.34Å; F108-L111 HydrophobicContact CB-CD1 4.44Å; F108-L111 HydrophobicContact CD1-CD1 3.93Å; F108-L111 WeakPolarHBondContact O-CB 3.42Å; F108-L111 PolarHBondContact O-N 3.32Å; F108-L118 HydrophobicContact CD2-CD2 4.44Å; F108-L118 HydrophobicContact CE1-CD1 4.21Å; F108-L118 HydrophobicContact CE1-CD2 4.19Å; F108-L118 HydrophobicContact CE2-CD2 4.03Å; F108-L118 HydrophobicContact CZ-CD1 4.36Å; F108-L118 HydrophobicContact CZ-CD2 3.9Å; F108-A132 HydrophobicContact CD2-CB 4.2Å; F108-L133 HydrophobicContact CD2-CD2 3.8Å; F108-L133 HydrophobicContact CE2-CD2 3.58Å; F108-L133 HydrophobicContact CE2-CG 4.49Å; F108-L136 HydrophobicContact CB-CD1 3.87Å; F108-L136 HydrophobicContact CB-CD2 3.84Å; F108-L136 HydrophobicContact CB-CG 4.24Å; F108-L136 HydrophobicContact CD2-CD1 4.03Å; F108-L136 HydrophobicContact CG-CD1 4.02Å
109	A	91.7	Very high	93.7	Very high	59 Å²	59	35.4 Å²	35.4	49%	0.488	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-57	-36.9	-174.9	0	0	0	0	0	113.2	A106 L111	A106-A109 HydrophobicContact CB-CB 4.31Å; A106-A109 WeakPolarHBondContact O-CB 3.4Å; A106-A109 PolarHBondContact O-N 2.73Å; A109-L111 PolarHBondContact O-N 3.23Å
110	G	89.7	Confident	93.7	Very high	17 Å²	17	34.4 Å²	34.4	18%	0.175	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-72.5	-10.9	177.5	0	0	0	0	0	115.2	H88 F108	H88-G110 PolarHBondContact ND1-O 3.04Å; F108-G110 VanDerWaalsContact C-N 3.25Å; F108-G110 PolarHBondContact O-N 3.34Å
111	L	94.5	Very high	93.6	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-103.1	-12.5	-173.8	-53.8	-173.4	0	0	0	113.7	F84 L87 L90 L93 F108 A109 G113 G114 L115 L136	F84-L111 HydrophobicContact CB-CD1 3.72Å; F84-L111 HydrophobicContact CB-CD2 3.92Å; F84-L111 HydrophobicContact CB-CG 3.88Å; F84-L111 HydrophobicContact CD2-CD1 4.33Å; F84-L111 HydrophobicContact CG-CD1 4.13Å; L87-L111 HydrophobicContact CB-CD2 4.1Å; L87-L111 VanDerWaalsContact O-CD2 3.26Å; L87-L111 WeakPolarHBondContact O-CD2 3.35Å; L90-L111 HydrophobicContact CB-CD2 3.92Å; L90-L111 HydrophobicContact CD2-CD1 4.04Å; L90-L111 HydrophobicContact CD2-CD2 4.01Å; L93-L111 HydrophobicContact CD2-CD1 4.07Å; F108-L111 HydrophobicContact CB-CD1 4.44Å; F108-L111 HydrophobicContact CD1-CD1 3.93Å; F108-L111 WeakPolarHBondContact O-CB 3.42Å; F108-L111 PolarHBondContact O-N 3.32Å; A109-L111 PolarHBondContact O-N 3.23Å; L111-G113 PolarHBondContact O-N 2.95Å; L111-G114 PolarHBondContact O-N 3.38Å; L111-G114 VanDerWaalsContact O-N 3.08Å; L111-L115 HydrophobicContact CB-CB 4.13Å; L111-L115 HydrophobicContact CB-CD2 4.3Å; L111-L115 HydrophobicContact CD1-CD1 4.25Å; L111-L115 HydrophobicContact CD1-CD2 4.1Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 PolarHBondContact O-N 3.46Å; L111-L136 HydrophobicContact CB-CD2 4.4Å
112	A	88.8	Confident	93.6	Very high	33 Å²	33	35.1 Å²	35.1	27%	0.273	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.2	-170.4	0	0	0	0	0	114.7	L136	A112-L136 HydrophobicContact CB-CD2 4.29Å
113	G	86.6	Confident	93.8	Very high	88 Å²	88	33.1 Å²	33.1	91%	0.907	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.8	-178.4	0	0	0	0	0	115.9	L111	L111-G113 PolarHBondContact O-N 2.95Å
114	G	90.2	Very high	93.9	Very high	25 Å²	25	38.6 Å²	38.6	26%	0.258	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.7	-21.9	-167.5	0	0	0	0	0	116.2	L90 L111	L90-G114 CarbonylContact O-C 3.55Å; L111-G114 PolarHBondContact O-N 3.38Å; L111-G114 VanDerWaalsContact O-N 3.08Å
115	L	95.5	Very high	93.9	Very high	9 Å²	9	38.1 Å²	38.1	5%	0.047	23%	0.228	C	C	.	.			trans	-68.7	136.4	-175.8	-158.4	70.8	0	0	0	111.3	L90 L93 L111 L118 L136 A138	L90-L115 HydrophobicContact CB-CD1 4.45Å; L90-L115 HydrophobicContact CD2-CD1 4.17Å; L90-L115 HydrophobicContact CG-CD1 4.14Å; L90-L115 PolarHBondContact O-N 3.48Å; L93-L115 HydrophobicContact CB-CD1 4.11Å; L111-L115 HydrophobicContact CB-CB 4.13Å; L111-L115 HydrophobicContact CB-CD2 4.3Å; L111-L115 HydrophobicContact CD1-CD1 4.25Å; L111-L115 HydrophobicContact CD1-CD2 4.1Å; L111-L115 WeakPolarHBondContact O-CB 3.36Å; L111-L115 PolarHBondContact O-N 3.46Å; L115-L118 HydrophobicContact CD2-CB 3.99Å; L115-L136 HydrophobicContact CD2-CD1 4.25Å; L115-A138 HydrophobicContact CB-CB 4.08Å; L115-A138 HydrophobicContact CD2-CB 4.13Å; L115-A138 HydrophobicContact CG-CB 4.02Å; L115-A138 WeakPolarHBondContact O-CB 3.24Å
116	R	94.6	Very high	94	Very high	149 Å²	149	40.1 Å²	40.1	56%	0.562	23%	0.232	S	C	*	.			trans	-114.9	-36.3	-179.1	-62.7	-175.7	175.6	-168.9	-6.5	112.4	R91 K139	R91-R116 HydrophobicContact CB-CG 4.32Å; R91-R116 WeakPolarHBondContact O-CA 3.35Å; R91-R116 WeakPolarHBondContact O-CB 3.17Å; R91-R116 PolarHBondContact O-N 3.47Å; R116-K139 PolarHBondContact O-N 2.96Å
117	L	95	Very high	93.8	Very high	38 Å²	38	45.9 Å²	45.9	20%	0.199	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	130.1	179.2	-176.5	69.3	0	0	0	109.8	R91 E92 L93 K139	R91-L117 PolarHBondContact O-N 2.86Å; E92-L117 WeakPolarHBondContact CA-O 3.41Å; E92-L117 HydrophobicContact CG-CB 4.15Å; L93-L117 PolarHBondContact N-O 3.21Å; L117-K139 WeakPolarHBondContact CA-O 3.18Å; L117-K139 HydrophobicContact CD1-CB 4.05Å
118	L	96.4	Very high	93.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	113.8	169.8	175.8	57.3	0	0	0	108.6	L93 L95 F108 L115 L120 L133 L136 K139 I140 R141	L93-L118 HydrophobicContact CB-CD1 4.02Å; L93-L118 HydrophobicContact CD2-CD1 3.84Å; L93-L118 HydrophobicContact CG-CD1 3.85Å; L93-L118 WeakPolarHBondContact O-CA 3.44Å; L95-L118 HydrophobicContact CD1-CD1 4.39Å; F108-L118 HydrophobicContact CD2-CD2 4.44Å; F108-L118 HydrophobicContact CE1-CD1 4.21Å; F108-L118 HydrophobicContact CE1-CD2 4.19Å; F108-L118 HydrophobicContact CE2-CD2 4.03Å; F108-L118 HydrophobicContact CZ-CD1 4.36Å; F108-L118 HydrophobicContact CZ-CD2 3.9Å; L115-L118 HydrophobicContact CD2-CB 3.99Å; L118-L120 HydrophobicContact CD1-CD1 4.5Å; L118-L120 HydrophobicContact CD1-CG 4.15Å; L118-L120 HydrophobicContact CD2-CD1 3.9Å; L118-L120 HydrophobicContact CD2-CG 4.41Å; L118-L120 HydrophobicContact CG-CD1 4.06Å; L118-L120 HydrophobicContact CG-CG 4.04Å; L118-L133 HydrophobicContact CD2-CD2 3.56Å; L118-L136 HydrophobicContact CD2-CD1 3.84Å; L118-K139 PolarHBondContact N-O 3.02Å; L118-I140 HydrophobicContact CB-CG1 4.37Å; L118-I140 WeakPolarHBondContact O-CA 3.16Å; L118-R141 PolarHBondContact O-N 3.41Å
119	D	97	Very high	93.3	Very high	15 Å²	15	48.1 Å²	48.1	8%	0.08	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	112.5	175.6	-153.8	-34.1	0	0	0	110.6	L93 L95 S96 S121 R141	L93-D119 PolarHBondContact O-N 2.81Å; L95-D119 CarbonylContact C-O 3.09Å; L95-D119 WeakPolarHBondContact CA-O 3.36Å; L95-D119 PolarHBondContact N-O 3.47Å; S96-D119 PolarHBondContact N-O 3.36Å; D119-S121 WeakPolarHBondContact OD1-CB 3.29Å; D119-S121 PolarHBondContact OD1-N 3.26Å; D119-S121 PolarHBondContact OD1-OG 2.97Å; D119-R141 WeakPolarHBondContact OD2-CD 3.4Å; D119-R141 IonicContact OD2-NH1 3.44Å; D119-R141 PolarHBondContact OD2-NH1 3.34Å
120	L	96.4	Very high	93.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.253	C	S	.	.			trans	-117.4	17	175	-71.6	167.6	0	0	0	111	L95 I100 I103 L118 N123 I125 L133 R141 L142 N145	L95-L120 HydrophobicContact CB-CD2 3.94Å; L95-L120 HydrophobicContact CD1-CD2 4.01Å; I100-L120 HydrophobicContact CD1-CD2 4.05Å; I103-L120 HydrophobicContact CD1-CD1 4.07Å; I103-L120 HydrophobicContact CD1-CD2 4.43Å; L118-L120 HydrophobicContact CD1-CD1 4.5Å; L118-L120 HydrophobicContact CD1-CG 4.15Å; L118-L120 HydrophobicContact CD2-CD1 3.9Å; L118-L120 HydrophobicContact CD2-CG 4.41Å; L118-L120 HydrophobicContact CG-CD1 4.06Å; L118-L120 HydrophobicContact CG-CG 4.04Å; L120-N123 PolarHBondContact O-ND2 2.83Å; L120-N123 VanDerWaalsContact O-ND2 3.08Å; L120-I125 HydrophobicContact CB-CD1 4.05Å; L120-I125 HydrophobicContact CD1-CD1 4.23Å; L120-I125 HydrophobicContact CD2-CD1 4.4Å; L120-I125 HydrophobicContact CG-CD1 4.47Å; L120-L133 HydrophobicContact CD1-CD2 4.36Å; L120-R141 CarbonylContact C-O 3.55Å; L120-R141 WeakPolarHBondContact CA-O 3.17Å; L120-R141 WeakPolarHBondContact CB-O 3.49Å; L120-R141 PolarHBondContact N-O 3.47Å; L120-L142 HydrophobicContact CB-CD2 3.89Å; L120-L142 HydrophobicContact CD1-CD2 4.12Å; L120-N145 PolarHBondContact O-ND2 3.3Å
121	S	96.1	Very high	93.1	Very high	9 Å²	9	53.1 Å²	53.1	6%	0.063	27%	0.269	C	S	.	.			trans	-62.2	155.9	179.3	62.1	0	0	0	0	112.2	S96 H97 D119 N123 R141 S143	S96-S121 CarbonylContact C-O 3.5Å; S96-S121 WeakPolarHBondContact CA-O 3.05Å; S96-S121 WeakPolarHBondContact CB-OG 3.32Å; H97-S121 PolarHBondContact N-O 2.75Å; H97-S121 VanDerWaalsContact N-O 3.07Å; D119-S121 WeakPolarHBondContact OD1-CB 3.29Å; D119-S121 PolarHBondContact OD1-N 3.26Å; D119-S121 PolarHBondContact OD1-OG 2.97Å; S121-N123 PolarHBondContact O-N 2.82Å; S121-N123 PolarHBondContact O-ND2 2.92Å; S121-N123 VanDerWaalsContact O-ND2 3.14Å; S121-R141 PolarHBondContact N-O 2.91Å; S121-S143 CarbonylContact C-O 3.58Å; S121-S143 WeakPolarHBondContact CA-O 3.42Å; S121-S143 WeakPolarHBondContact CB-O 3.3Å
122	Y	96.5	Very high	92.9	Very high	100 Å²	100	53.2 Å²	53.2	39%	0.392	27%	0.27	S	S	.	.	S	Bend	trans	53.6	49.2	178.8	-62.8	-92.8	0	0	0	113.3	H97 N98 S143 H144	H97-Y122 VanDerWaalsContact CA-O 3.24Å; H97-Y122 WeakPolarHBondContact CA-O 3.45Å; H97-Y122 AromaticContact CE1-CD1 3.57Å; H97-Y122 AromaticContact CE1-CD2 3.56Å; H97-Y122 AromaticContact CE1-CE1 3.99Å; H97-Y122 AromaticContact CE1-CG 3.32Å; H97-Y122 PolarHBondContact N-O 3.31Å; H97-Y122 AromaticContact ND1-CD1 3.96Å; H97-Y122 AromaticContact ND1-CG 3.66Å; H97-Y122 AromaticContact NE2-CD2 3.56Å; H97-Y122 AromaticContact NE2-CE2 4Å; H97-Y122 AromaticContact NE2-CG 3.78Å; N98-Y122 PolarHBondContact N-O 3.44Å; Y122-S143 PolarHBondContact N-O 2.81Å; Y122-H144 WeakPolarHBondContact CA-O 3.46Å; Y122-H144 HydrophobicContact CD1-CB 3.68Å; Y122-H144 HydrophobicContact CD2-CB 4.15Å; Y122-H144 HydrophobicContact CE1-CB 3.8Å; Y122-H144 AromaticContact CE1-CD2 3.79Å; Y122-H144 AromaticContact CE1-CG 3.57Å; Y122-H144 AromaticContact CE1-ND1 3.94Å; Y122-H144 HydrophobicContact CE2-CB 4.23Å; Y122-H144 AromaticContact CE2-CD2 3.49Å; Y122-H144 VanDerWaalsContact CE2-CD2 3.49Å; Y122-H144 WeakPolarHBondContact CE2-CD2 3.27Å; Y122-H144 AromaticContact CE2-CG 3.99Å; Y122-H144 HydrophobicContact CG-CB 3.87Å; Y122-H144 AromaticContact CZ-CD2 3.25Å; Y122-H144 AromaticContact CZ-CG 3.56Å; Y122-H144 AromaticContact CZ-NE2 3.65Å; Y122-H144 PolarHBondContact OH-CD2 3.05Å; Y122-H144 VanDerWaalsContact OH-CD2 3.3Å; Y122-H144 PolarHBondContact OH-NE2 2.7Å; Y122-H144 VanDerWaalsContact OH-NE2 3.17Å
123	N	97.6	Very high	93	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.043	26%	0.258	C	S	.	.	S	Bend	trans	-119.1	-165.1	173.3	-85.7	-76.7	0	0	0	110.1	L95 N98 A99 I100 L120 S121 I125 N145 P146	L95-N123 PolarHBondContact O-ND2 3.43Å; N98-N123 VanDerWaalsContact CA-OD1 3.29Å; N98-N123 WeakPolarHBondContact CA-OD1 3.4Å; N98-N123 WeakPolarHBondContact CB-OD1 3.41Å; N98-N123 PolarHBondContact N-OD1 2.01Å; N98-N123 PolarHBondContact O-OD1 3.04Å; A99-N123 PolarHBondContact N-OD1 3.13Å; I100-N123 HydrophobicContact CB-CB 4.24Å; I100-N123 VanDerWaalsContact CB-OD1 3.3Å; I100-N123 WeakPolarHBondContact CB-OD1 3.31Å; I100-N123 VanDerWaalsContact CG1-OD1 3.31Å; I100-N123 WeakPolarHBondContact CG1-OD1 3.3Å; I100-N123 PolarHBondContact N-OD1 2.82Å; L120-N123 PolarHBondContact O-ND2 2.83Å; L120-N123 VanDerWaalsContact O-ND2 3.08Å; S121-N123 PolarHBondContact O-N 2.82Å; S121-N123 PolarHBondContact O-ND2 2.92Å; S121-N123 VanDerWaalsContact O-ND2 3.14Å; N123-I125 HydrophobicContact CB-CD1 4.33Å; N123-I125 HydrophobicContact CB-CG1 4.17Å; N123-N145 VanDerWaalsContact CA-OD1 3.24Å; N123-N145 WeakPolarHBondContact CA-OD1 3.06Å; N123-N145 WeakPolarHBondContact CB-OD1 3.29Å; N123-N145 PolarHBondContact N-OD1 2.93Å; N123-N145 PolarHBondContact O-OD1 3.22Å; N123-P146 WeakPolarHBondContact O-CD 3.44Å
124	R	96.5	Very high	93	Very high	137 Å²	137	48.9 Å²	48.9	52%	0.517	23%	0.228	S	C	.	.			trans	-118.5	29.2	-178.3	-63.6	-178	-179.3	-172.3	-0.6	112	I100 E101 Q126 N145	I100-R124 CarbonylContact O-C 3.48Å; I100-R124 WeakPolarHBondContact O-CA 3.09Å; I100-R124 PolarHBondContact O-N 2.96Å; E101-R124 HydrophobicContact CG-CB 3.51Å; E101-R124 WeakPolarHBondContact OE1-CD 2.94Å; E101-R124 IonicContact OE1-NH1 3.67Å; E101-R124 PolarHBondContact OE1-NH1 2.79Å; R124-Q126 PolarHBondContact O-N 3.41Å; R124-N145 PolarHBondContact N-OD1 2.74Å
125	I	94.6	Very high	92.8	Very high	3 Å²	3	54.1 Å²	54.1	2%	0.015	24%	0.244	C	C	.	.			trans	-71.5	119.2	-176.6	-58.4	170.6	0	0	0	108.3	I100 I103 L120 N123 R127 L142 N145 P146 L147	I100-I125 HydrophobicContact CG2-CG1 4.37Å; I100-I125 WeakPolarHBondContact O-CG1 3.39Å; I100-I125 PolarHBondContact O-N 3.25Å; I100-I125 VanDerWaalsContact O-N 3.17Å; I103-I125 HydrophobicContact CD1-CD1 3.97Å; L120-I125 HydrophobicContact CB-CD1 4.05Å; L120-I125 HydrophobicContact CD1-CD1 4.23Å; L120-I125 HydrophobicContact CD2-CD1 4.4Å; L120-I125 HydrophobicContact CG-CD1 4.47Å; N123-I125 HydrophobicContact CB-CD1 4.33Å; N123-I125 HydrophobicContact CB-CG1 4.17Å; I125-R127 VanDerWaalsContact CG2-O 3.29Å; I125-R127 WeakPolarHBondContact CG2-O 3.39Å; I125-L142 HydrophobicContact CD1-CD2 4.13Å; I125-N145 HydrophobicContact CB-CB 4.32Å; I125-N145 WeakPolarHBondContact CB-OD1 3.42Å; I125-N145 WeakPolarHBondContact CG1-OD1 3.26Å; I125-N145 PolarHBondContact N-OD1 3.49Å; I125-P146 CarbonylContact O-C 3.12Å; I125-L147 HydrophobicContact CG2-CD2 4.29Å; I125-L147 WeakPolarHBondContact O-CD2 3.49Å
126	Q	92.8	Very high	92.6	Very high	113 Å²	113	54 Å²	54	53%	0.528	24%	0.244	S	C	.	.			trans	-93.4	-38.5	174.9	-63.6	-178.2	23.7	0	0	111.7	R124 P146 H148	R124-Q126 PolarHBondContact O-N 3.41Å; Q126-P146 HydrophobicContact CG-CG 4.43Å; Q126-H148 WeakPolarHBondContact O-CB 3.08Å; Q126-H148 PolarHBondContact O-N 3.19Å
127	R	90.4	Very high	92.4	Very high	159 Å²	159	50.8 Å²	50.8	60%	0.6	24%	0.244	S	C	*	.	S	Bend	trans	-124.1	136.3	-178.5	-70.4	-179.8	167.4	146.3	3	110.3	I125 P129 E150	I125-R127 VanDerWaalsContact CG2-O 3.29Å; I125-R127 WeakPolarHBondContact CG2-O 3.39Å; R127-P129 WeakPolarHBondContact O-CD 3.04Å; R127-E150 WeakPolarHBondContact CD-OE1 3.3Å; R127-E150 IonicContact CZ-OE1 3.37Å; R127-E150 IonicContact NE-OE1 3.68Å; R127-E150 PolarHBondContact NE-OE1 2.8Å; R127-E150 IonicContact NE-OE2 3.85Å; R127-E150 IonicContact NH2-OE1 3.84Å; R127-E150 IonicContact NH2-OE2 3.46Å
128	I	89.4	Confident	92.2	Very high	19 Å²	19	49 Å²	49	10%	0.097	23%	0.234	C	C	.	.			trans	-78.8	121.7	177.9	-61.5	-171.1	0	0	0	109.4	K130 L133 L142 L147 L153 A156 L157 L160	I128-K130 PolarHBondContact O-N 3.02Å; I128-L133 HydrophobicContact CG2-CD1 3.76Å; I128-L142 HydrophobicContact CD1-CD1 3.63Å; I128-L142 HydrophobicContact CG1-CD1 4.31Å; I128-L147 HydrophobicContact CG1-CD2 4.03Å; I128-L153 HydrophobicContact CB-CD1 4.11Å; I128-L153 HydrophobicContact CD1-CD1 3.22Å; I128-L153 HydrophobicContact CG1-CD1 3.44Å; I128-L153 VanDerWaalsContact CG1-CD1 3.44Å; I128-A156 HydrophobicContact CB-CB 4.32Å; I128-A156 HydrophobicContact CG2-CB 4.09Å; I128-L157 HydrophobicContact CD1-CD2 4.31Å; I128-L160 HydrophobicContact CD1-CD1 4.28Å; I128-L160 HydrophobicContact CG2-CD1 3.6Å
129	P	88.8	Confident	92	Very high	28 Å²	28	53.9 Å²	53.9	18%	0.182	26%	0.256	C	S	.	.			trans	-77.2	87.3	178	34.3	-38.9	0	0	0	110.4	I103 R127 D131 A132 L133	I103-P129 HydrophobicContact CB-CB 4.46Å; I103-P129 HydrophobicContact CB-CG 3.92Å; I103-P129 HydrophobicContact CD1-CG 4.17Å; I103-P129 HydrophobicContact CG2-CG 4.12Å; R127-P129 WeakPolarHBondContact O-CD 3.04Å; P129-D131 PolarHBondContact O-N 2.89Å; P129-A132 HydrophobicContact CB-CB 3.97Å; P129-A132 HydrophobicContact CG-CB 4.09Å; P129-A132 PolarHBondContact O-N 3.06Å; P129-A132 VanDerWaalsContact O-N 3.07Å; P129-L133 HydrophobicContact CG-CD1 3.95Å; P129-L133 HydrophobicContact CG-CG 4.09Å; P129-L133 PolarHBondContact O-N 2.93Å
130	K	89.3	Confident	91.9	Very high	85 Å²	85	53.2 Å²	53.2	37%	0.37	25%	0.252	S	S	.	.	H	α-helix	trans	-53.4	-39.6	-178.2	69.8	178.6	-178.5	178.1	0	113.2	I128 A132 L133 G134 E155 A156	I128-K130 PolarHBondContact O-N 3.02Å; K130-A132 VanDerWaalsContact C-N 3.28Å; K130-A132 PolarHBondContact O-N 3.22Å; K130-L133 PolarHBondContact O-N 3.37Å; K130-G134 WeakPolarHBondContact O-CA 3.28Å; K130-G134 PolarHBondContact O-N 2.93Å; K130-E155 IonicContact NZ-OE2 3.46Å; K130-E155 PolarHBondContact NZ-OE2 3.26Å; K130-A156 HydrophobicContact CB-CB 4Å
131	D	88.8	Confident	91.8	Very high	96 Å²	96	56.9 Å²	56.9	51%	0.513	27%	0.266	S	S	.	.	H	α-helix	trans	-66.5	-30.7	-177.9	-59.9	-41.1	0	0	0	113.1	P105 P129	P105-D131 HydrophobicContact CB-CB 4Å; P105-D131 CarbonylContact O-C 3.58Å; P129-D131 PolarHBondContact O-N 2.89Å
132	A	90.5	Very high	91.6	Very high	4 Å²	4	56.6 Å²	56.6	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-82.9	-42.2	179.6	0	0	0	0	0	112	I103 G104 P105 F108 P129 K130	I103-A132 HydrophobicContact CG2-CB 4.24Å; G104-A132 VanDerWaalsContact O-CB 3.31Å; G104-A132 WeakPolarHBondContact O-CB 3.41Å; P105-A132 WeakPolarHBondContact O-CA 3.27Å; F108-A132 HydrophobicContact CD2-CB 4.2Å; P129-A132 HydrophobicContact CB-CB 3.97Å; P129-A132 HydrophobicContact CG-CB 4.09Å; P129-A132 PolarHBondContact O-N 3.06Å; P129-A132 VanDerWaalsContact O-N 3.07Å; K130-A132 VanDerWaalsContact C-N 3.28Å; K130-A132 PolarHBondContact O-N 3.22Å
133	L	90.8	Very high	91.4	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-95.7	-30.3	-171.1	-64.2	172.8	0	0	0	113.6	F108 L118 L120 I128 P129 K130 K135 L136 I140 L160	F108-L133 HydrophobicContact CD2-CD2 3.8Å; F108-L133 HydrophobicContact CE2-CD2 3.58Å; F108-L133 HydrophobicContact CE2-CG 4.49Å; L118-L133 HydrophobicContact CD2-CD2 3.56Å; L120-L133 HydrophobicContact CD1-CD2 4.36Å; I128-L133 HydrophobicContact CG2-CD1 3.76Å; P129-L133 HydrophobicContact CG-CD1 3.95Å; P129-L133 HydrophobicContact CG-CG 4.09Å; P129-L133 PolarHBondContact O-N 2.93Å; K130-L133 PolarHBondContact O-N 3.37Å; L133-K135 PolarHBondContact O-N 3.14Å; L133-L136 HydrophobicContact CD2-CD1 3.87Å; L133-L136 WeakPolarHBondContact O-CB 3.21Å; L133-L136 PolarHBondContact O-N 3.4Å; L133-I140 HydrophobicContact CB-CD1 4.2Å; L133-I140 HydrophobicContact CD2-CD1 4.24Å; L133-L160 HydrophobicContact CB-CD2 3.36Å; L133-L160 HydrophobicContact CD1-CD2 4.35Å; L133-L160 HydrophobicContact CG-CD2 4.46Å
134	G	86.7	Confident	91.2	Very high	28 Å²	28	56 Å²	56	29%	0.289	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-20.6	-178.5	0	0	0	0	0	113.8	K130 L136	K130-G134 WeakPolarHBondContact O-CA 3.28Å; K130-G134 PolarHBondContact O-N 2.93Å; G134-L136 VanDerWaalsContact C-N 3.32Å
135	K	86.3	Confident	91.1	Very high	136 Å²	136	50 Å²	50	59%	0.591	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-12.6	173.7	-64.6	175.3	-173.8	162.2	0	113.3	L133	L133-K135 PolarHBondContact O-N 3.14Å
136	L	90.3	Very high	91	Very high	7 Å²	7	51.6 Å²	51.6	4%	0.037	25%	0.253	C	S	.	.			trans	-86.2	132.8	-177.4	-59	178.8	0	0	0	110.5	F108 L111 A112 L115 L118 L133 G134 A138	F108-L136 HydrophobicContact CB-CD1 3.87Å; F108-L136 HydrophobicContact CB-CD2 3.84Å; F108-L136 HydrophobicContact CB-CG 4.24Å; F108-L136 HydrophobicContact CD2-CD1 4.03Å; F108-L136 HydrophobicContact CG-CD1 4.02Å; L111-L136 HydrophobicContact CB-CD2 4.4Å; A112-L136 HydrophobicContact CB-CD2 4.29Å; L115-L136 HydrophobicContact CD2-CD1 4.25Å; L118-L136 HydrophobicContact CD2-CD1 3.84Å; L133-L136 HydrophobicContact CD2-CD1 3.87Å; L133-L136 WeakPolarHBondContact O-CB 3.21Å; L133-L136 PolarHBondContact O-N 3.4Å; G134-L136 VanDerWaalsContact C-N 3.32Å; L136-A138 VanDerWaalsContact C-N 3.26Å; L136-A138 HydrophobicContact CB-CB 4.46Å
137	S	89.5	Confident	91	Very high	80 Å²	80	46.3 Å²	46.3	56%	0.559	23%	0.228	S	C	*	.			trans	-90.7	14	170.2	-74.1	0	0	0	0	113.5
138	A	91.6	Very high	90.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-85	155.8	-176.2	0	0	0	0	0	112.3	L115 L136	L115-A138 HydrophobicContact CB-CB 4.08Å; L115-A138 HydrophobicContact CD2-CB 4.13Å; L115-A138 HydrophobicContact CG-CB 4.02Å; L115-A138 WeakPolarHBondContact O-CB 3.24Å; L136-A138 VanDerWaalsContact C-N 3.26Å; L136-A138 HydrophobicContact CB-CB 4.46Å
139	K	93.2	Very high	90.8	Very high	104 Å²	104	39.8 Å²	39.8	45%	0.452	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	128.1	162.4	-71.4	178.5	159.6	-146.1	0	109.3	R116 L117 L118 K161 D163	R116-K139 PolarHBondContact O-N 2.96Å; L117-K139 WeakPolarHBondContact CA-O 3.18Å; L117-K139 HydrophobicContact CD1-CB 4.05Å; L118-K139 PolarHBondContact N-O 3.02Å; K139-K161 CarbonylContact C-O 3.47Å; K139-K161 WeakPolarHBondContact CA-O 3.2Å; K139-D163 HydrophobicContact CB-CB 4.44Å; K139-D163 WeakPolarHBondContact CD-OD1 3.24Å; K139-D163 IonicContact NZ-OD1 2.83Å; K139-D163 PolarHBondContact NZ-OD1 2.99Å
140	I	93.3	Very high	90.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.4	-176.4	-58.9	166.4	0	0	0	109.4	L118 L133 L142 L160 K161 L162 D163	L118-I140 HydrophobicContact CB-CG1 4.37Å; L118-I140 WeakPolarHBondContact O-CA 3.16Å; L133-I140 HydrophobicContact CB-CD1 4.2Å; L133-I140 HydrophobicContact CD2-CD1 4.24Å; I140-L142 HydrophobicContact CG2-CD1 4.06Å; I140-L142 HydrophobicContact CG2-CD2 4.49Å; I140-L142 HydrophobicContact CG2-CG 3.92Å; I140-L160 HydrophobicContact CD1-CD2 3.45Å; I140-L160 VanDerWaalsContact CD1-CD2 3.45Å; I140-K161 PolarHBondContact N-O 3.33Å; I140-L162 HydrophobicContact CB-CD2 4.47Å; I140-D163 PolarHBondContact O-N 3.31Å
141	R	94.4	Very high	90.4	Very high	78 Å²	78	38.5 Å²	38.5	29%	0.294	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	126.7	173.5	-64	177.9	176.6	170.8	-4.9	109.9	L118 D119 L120 S121 D163	L118-R141 PolarHBondContact O-N 3.41Å; D119-R141 WeakPolarHBondContact OD2-CD 3.4Å; D119-R141 IonicContact OD2-NH1 3.44Å; D119-R141 PolarHBondContact OD2-NH1 3.34Å; L120-R141 CarbonylContact C-O 3.55Å; L120-R141 WeakPolarHBondContact CA-O 3.17Å; L120-R141 WeakPolarHBondContact CB-O 3.49Å; L120-R141 PolarHBondContact N-O 3.47Å; S121-R141 PolarHBondContact N-O 2.91Å; R141-D163 HydrophobicContact CG-CB 3.98Å; R141-D163 IonicContact CZ-OD2 3.37Å; R141-D163 IonicContact NE-OD2 2.9Å; R141-D163 PolarHBondContact NE-OD2 3.34Å; R141-D163 IonicContact NH2-OD2 2.92Å; R141-D163 PolarHBondContact NH2-OD2 3.41Å
142	L	92.5	Very high	90.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.196	C	C	.	.			trans	-129.9	9.9	-176.7	-72.6	164.8	0	0	0	112.6	L120 I125 I128 I140 N145 L162 I170	L120-L142 HydrophobicContact CB-CD2 3.89Å; L120-L142 HydrophobicContact CD1-CD2 4.12Å; I125-L142 HydrophobicContact CD1-CD2 4.13Å; I128-L142 HydrophobicContact CD1-CD1 3.63Å; I128-L142 HydrophobicContact CG1-CD1 4.31Å; I140-L142 HydrophobicContact CG2-CD1 4.06Å; I140-L142 HydrophobicContact CG2-CD2 4.49Å; I140-L142 HydrophobicContact CG2-CG 3.92Å; L142-N145 PolarHBondContact O-ND2 2.97Å; L142-L162 HydrophobicContact CD1-CD2 4.13Å; L142-I170 HydrophobicContact CB-CD1 4.38Å
143	S	92.6	Very high	90	Very high	6 Å²	6	36.2 Å²	36.2	4%	0.042	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	152.6	-178.9	60.8	0	0	0	0	111.9	S121 Y122 N145 E169	S121-S143 CarbonylContact C-O 3.58Å; S121-S143 WeakPolarHBondContact CA-O 3.42Å; S121-S143 WeakPolarHBondContact CB-O 3.3Å; Y122-S143 PolarHBondContact N-O 2.81Å; S143-N145 VanDerWaalsContact C-N 3.34Å; S143-N145 PolarHBondContact O-N 3.42Å; S143-N145 PolarHBondContact O-ND2 3.44Å; S143-E169 VanDerWaalsContact CB-CB 3.49Å; S143-E169 VanDerWaalsContact CB-OE2 3.3Å; S143-E169 WeakPolarHBondContact CB-OE2 3.45Å; S143-E169 PolarHBondContact OG-OE2 3.2Å
144	H	93.1	Very high	89.7	Confident	89 Å²	89	38.5 Å²	38.5	41%	0.412	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	42.3	-179.8	-58.7	-82.7	0	0	0	114.6	Y122 E169	Y122-H144 WeakPolarHBondContact CA-O 3.46Å; Y122-H144 HydrophobicContact CD1-CB 3.68Å; Y122-H144 HydrophobicContact CD2-CB 4.15Å; Y122-H144 HydrophobicContact CE1-CB 3.8Å; Y122-H144 AromaticContact CE1-CD2 3.79Å; Y122-H144 AromaticContact CE1-CG 3.57Å; Y122-H144 AromaticContact CE1-ND1 3.94Å; Y122-H144 HydrophobicContact CE2-CB 4.23Å; Y122-H144 AromaticContact CE2-CD2 3.49Å; Y122-H144 VanDerWaalsContact CE2-CD2 3.49Å; Y122-H144 WeakPolarHBondContact CE2-CD2 3.27Å; Y122-H144 AromaticContact CE2-CG 3.99Å; Y122-H144 HydrophobicContact CG-CB 3.87Å; Y122-H144 AromaticContact CZ-CD2 3.25Å; Y122-H144 AromaticContact CZ-CG 3.56Å; Y122-H144 AromaticContact CZ-NE2 3.65Å; Y122-H144 PolarHBondContact OH-CD2 3.05Å; Y122-H144 VanDerWaalsContact OH-CD2 3.3Å; Y122-H144 PolarHBondContact OH-NE2 2.7Å; Y122-H144 VanDerWaalsContact OH-NE2 3.17Å; H144-E169 IonicContact CD2-OE2 3.52Å; H144-E169 IonicContact NE2-OE2 3.61Å
145	N	94	Very high	89.5	Confident	12 Å²	12	41.9 Å²	41.9	6%	0.064	21%	0.214	C	C	.	.			trans	-112.8	145.2	167.2	-81.7	-86.2	0	0	0	110.6	L120 N123 R124 I125 L142 S143 L147	L120-N145 PolarHBondContact O-ND2 3.3Å; N123-N145 VanDerWaalsContact CA-OD1 3.24Å; N123-N145 WeakPolarHBondContact CA-OD1 3.06Å; N123-N145 WeakPolarHBondContact CB-OD1 3.29Å; N123-N145 PolarHBondContact N-OD1 2.93Å; N123-N145 PolarHBondContact O-OD1 3.22Å; R124-N145 PolarHBondContact N-OD1 2.74Å; I125-N145 HydrophobicContact CB-CB 4.32Å; I125-N145 WeakPolarHBondContact CB-OD1 3.42Å; I125-N145 WeakPolarHBondContact CG1-OD1 3.26Å; I125-N145 PolarHBondContact N-OD1 3.49Å; L142-N145 PolarHBondContact O-ND2 2.97Å; S143-N145 VanDerWaalsContact C-N 3.34Å; S143-N145 PolarHBondContact O-N 3.42Å; S143-N145 PolarHBondContact O-ND2 3.44Å; N145-L147 HydrophobicContact CB-CD2 4.28Å; N145-L147 HydrophobicContact CB-CG 4.08Å; N145-L147 PolarHBondContact O-N 3.17Å
146	P	93.1	Very high	89.5	Confident	37 Å²	37	35.5 Å²	35.5	24%	0.24	19%	0.187	C	C	.	.			trans	-77	61	178.9	34.6	-37.2	0	0	0	111.6	N123 I125 Q126 H173	N123-P146 WeakPolarHBondContact O-CD 3.44Å; I125-P146 CarbonylContact O-C 3.12Å; Q126-P146 HydrophobicContact CG-CG 4.43Å; P146-H173 HydrophobicContact CB-CB 4.02Å
147	L	91.8	Very high	89.1	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	137.7	-173.9	-65.5	170.6	0	0	0	111.7	I125 I128 N145 I170 H173 T174	I125-L147 HydrophobicContact CG2-CD2 4.29Å; I125-L147 WeakPolarHBondContact O-CD2 3.49Å; I128-L147 HydrophobicContact CG1-CD2 4.03Å; N145-L147 HydrophobicContact CB-CD2 4.28Å; N145-L147 HydrophobicContact CB-CG 4.08Å; N145-L147 PolarHBondContact O-N 3.17Å; L147-I170 HydrophobicContact CD1-CG2 3.46Å; L147-I170 VanDerWaalsContact CD1-CG2 3.46Å; L147-H173 PolarHBondContact O-N 3.33Å; L147-T174 PolarHBondContact O-N 3.13Å
148	H	89.9	Confident	88.6	Confident	41 Å²	41	43.7 Å²	43.7	19%	0.19	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	107.4	169.8	-170.9	70.3	0	0	0	108.7	Q126 E150 T174	Q126-H148 WeakPolarHBondContact O-CB 3.08Å; Q126-H148 PolarHBondContact O-N 3.19Å; H148-E150 IonicContact CD2-OE2 3.76Å; H148-E150 PolarHBondContact O-N 3.02Å; H148-T174 CarbonylContact C-O 3.46Å; H148-T174 WeakPolarHBondContact CA-O 3.36Å; H148-T174 WeakPolarHBondContact ND1-CB 3.49Å; H148-T174 PolarHBondContact ND1-OG1 3Å
149	C	87.6	Confident	88.1	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.007	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	107.9	-178.8	-68.6	0	0	0	0	110.8	L153 C172 T174 S175 V176 L195	C149-L153 HydrophobicContact CB-CD2 3.98Å; C149-L153 WeakPolarHBondContact SG-CD2 3.37Å; C149-C172 HydrophobicContact CB-CB 3.75Å; C149-C172 WeakPolarHBondContact CB-SG 3.37Å; C149-C172 VanDerWaalsContact SG-CA 3.5Å; C149-C172 WeakPolarHBondContact SG-CB 3.34Å; C149-C172 CovalentContact SG-SG 2.01Å; C149-C172 PolarHBondContact SG-SG 3.12Å; C149-T174 PolarHBondContact N-O 2.98Å; C149-S175 WeakPolarHBondContact O-CA 3.38Å; C149-V176 PolarHBondContact O-N 3.42Å; C149-L195 HydrophobicContact CB-CD1 4.24Å; C149-L195 HydrophobicContact CB-CD2 4.06Å
150	E	85.7	Confident	87.7	Confident	43 Å²	43	45.3 Å²	45.3	20%	0.201	22%	0.217	C	C	.	.	S	Bend	trans	-137.9	174.6	177.7	67.3	-171.3	161.3	0	0	109.8	R127 H148 A152 L153 Q154 V176	R127-E150 WeakPolarHBondContact CD-OE1 3.3Å; R127-E150 IonicContact CZ-OE1 3.37Å; R127-E150 IonicContact NE-OE1 3.68Å; R127-E150 PolarHBondContact NE-OE1 2.8Å; R127-E150 IonicContact NE-OE2 3.85Å; R127-E150 IonicContact NH2-OE1 3.84Å; R127-E150 IonicContact NH2-OE2 3.46Å; H148-E150 IonicContact CD2-OE2 3.76Å; H148-E150 PolarHBondContact O-N 3.02Å; E150-A152 VanDerWaalsContact C-N 3.25Å; E150-A152 HydrophobicContact CG-CB 4.14Å; E150-A152 PolarHBondContact O-N 3.46Å; E150-L153 VanDerWaalsContact O-CB 3.26Å; E150-L153 WeakPolarHBondContact O-CB 3Å; E150-L153 PolarHBondContact O-N 2.05Å; E150-Q154 PolarHBondContact O-N 3.22Å; E150-V176 HydrophobicContact CB-CG2 4.48Å
151	C	84	Confident	87.3	Confident	43 Å²	43	51 Å²	51	29%	0.291	24%	0.241	S	C	.	.	H	α-helix	trans	-56.5	-38.5	-178.2	-174.4	0	0	0	0	113.4	L153 Q154 E155 C196	C151-L153 PolarHBondContact O-N 3.23Å; C151-Q154 WeakPolarHBondContact O-CB 3.23Å; C151-Q154 PolarHBondContact O-N 3.46Å; C151-Q154 VanDerWaalsContact O-N 3.08Å; C151-E155 PolarHBondContact O-N 3.42Å; C151-E155 VanDerWaalsContact O-N 3.14Å; C151-C196 WeakPolarHBondContact CA-SG 3.44Å; C151-C196 HydrophobicContact CB-CB 3.85Å; C151-C196 WeakPolarHBondContact CB-SG 3.33Å; C151-C196 WeakPolarHBondContact SG-CB 3.5Å; C151-C196 CovalentContact SG-SG 2.05Å; C151-C196 PolarHBondContact SG-SG 2.65Å
152	A	83.6	Confident	86.8	Confident	47 Å²	47	49 Å²	49	39%	0.388	24%	0.236	S	C	.	.	H	α-helix	trans	-61.2	-29.2	177.5	0	0	0	0	0	113.1	E150 A156	E150-A152 VanDerWaalsContact C-N 3.25Å; E150-A152 HydrophobicContact CG-CB 4.14Å; E150-A152 PolarHBondContact O-N 3.46Å; A152-A156 WeakPolarHBondContact O-CB 3.34Å; A152-A156 PolarHBondContact O-N 3.24Å; A152-A156 VanDerWaalsContact O-N 3.09Å
153	L	85.9	Confident	86.4	Confident	5 Å²	5	49.1 Å²	49.1	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-67.3	-47.3	174.5	-177.8	67.9	0	0	0	110.4	I128 C149 E150 C151 E155 A156 L157 L185	I128-L153 HydrophobicContact CB-CD1 4.11Å; I128-L153 HydrophobicContact CD1-CD1 3.22Å; I128-L153 HydrophobicContact CG1-CD1 3.44Å; I128-L153 VanDerWaalsContact CG1-CD1 3.44Å; C149-L153 HydrophobicContact CB-CD2 3.98Å; C149-L153 WeakPolarHBondContact SG-CD2 3.37Å; E150-L153 VanDerWaalsContact O-CB 3.26Å; E150-L153 WeakPolarHBondContact O-CB 3Å; E150-L153 PolarHBondContact O-N 2.05Å; C151-L153 PolarHBondContact O-N 3.23Å; L153-E155 VanDerWaalsContact C-N 3.3Å; L153-E155 PolarHBondContact O-N 3.15Å; L153-A156 PolarHBondContact O-N 3.41Å; L153-A156 VanDerWaalsContact O-N 3.16Å; L153-L157 HydrophobicContact CG-CD1 4.17Å; L153-L157 HydrophobicContact CG-CG 4.41Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 2.91Å; L153-L185 HydrophobicContact CD2-CD1 4.13Å; L153-L185 HydrophobicContact CD2-CD2 4.04Å
154	Q	83.8	Confident	85.8	Confident	49 Å²	49	52.9 Å²	52.9	23%	0.229	26%	0.261	C	S	.	.	H	α-helix	trans	-59	-41.6	179.2	-174.9	168.4	-11.6	0	0	112	E150 C151 L189 L195	E150-Q154 PolarHBondContact O-N 3.22Å; C151-Q154 WeakPolarHBondContact O-CB 3.23Å; C151-Q154 PolarHBondContact O-N 3.46Å; C151-Q154 VanDerWaalsContact O-N 3.08Å; Q154-L189 HydrophobicContact CG-CD2 4Å; Q154-L195 HydrophobicContact CB-CB 4.28Å; Q154-L195 HydrophobicContact CB-CD1 4.2Å
155	E	84.3	Confident	85.3	Confident	99 Å²	99	55 Å²	55	46%	0.463	28%	0.275	S	S	.	.	H	α-helix	trans	-61.5	-48	173.9	-67.9	-179.5	179.2	0	0	111.9	K130 C151 L153 L157 W158	K130-E155 IonicContact NZ-OE2 3.46Å; K130-E155 PolarHBondContact NZ-OE2 3.26Å; C151-E155 PolarHBondContact O-N 3.42Å; C151-E155 VanDerWaalsContact O-N 3.14Å; L153-E155 VanDerWaalsContact C-N 3.3Å; L153-E155 PolarHBondContact O-N 3.15Å; E155-L157 VanDerWaalsContact C-N 3.35Å; E155-L157 PolarHBondContact O-N 3.08Å; E155-W158 PolarHBondContact O-N 3.39Å
156	A	85.8	Confident	84.7	Confident	2 Å²	2	54.8 Å²	54.8	2%	0.017	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-41.5	-178.1	0	0	0	0	0	112	I128 K130 A152 L153 W158 E159 L160	I128-A156 HydrophobicContact CB-CB 4.32Å; I128-A156 HydrophobicContact CG2-CB 4.09Å; K130-A156 HydrophobicContact CB-CB 4Å; A152-A156 WeakPolarHBondContact O-CB 3.34Å; A152-A156 PolarHBondContact O-N 3.24Å; A152-A156 VanDerWaalsContact O-N 3.09Å; L153-A156 PolarHBondContact O-N 3.41Å; L153-A156 VanDerWaalsContact O-N 3.16Å; A156-W158 PolarHBondContact O-N 3.44Å; A156-E159 PolarHBondContact O-N 2.98Å; A156-E159 VanDerWaalsContact O-N 3.13Å; A156-L160 HydrophobicContact CB-CD1 4.13Å; A156-L160 WeakPolarHBondContact O-CD1 3.31Å; A156-L160 WeakPolarHBondContact O-CG 3.41Å; A156-L160 PolarHBondContact O-N 3.14Å
157	L	82.5	Confident	84.2	Confident	23 Å²	23	53.8 Å²	53.8	12%	0.12	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-32.4	-179.8	-68.5	166.8	0	0	0	113	I128 L153 E155 E159 L160 L162 L185 L189	I128-L157 HydrophobicContact CD1-CD2 4.31Å; L153-L157 HydrophobicContact CG-CD1 4.17Å; L153-L157 HydrophobicContact CG-CG 4.41Å; L153-L157 VanDerWaalsContact O-CG 3.24Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 2.91Å; E155-L157 VanDerWaalsContact C-N 3.35Å; E155-L157 PolarHBondContact O-N 3.08Å; L157-E159 PolarHBondContact O-N 3.34Å; L157-L160 PolarHBondContact O-N 3.39Å; L157-L162 HydrophobicContact CD2-CD1 3.66Å; L157-L185 HydrophobicContact CD1-CD1 4.19Å; L157-L185 HydrophobicContact CD1-CD2 3.5Å; L157-L185 HydrophobicContact CD1-CG 3.87Å; L157-L185 HydrophobicContact CD2-CD2 3.92Å; L157-L185 HydrophobicContact CG-CD2 4.31Å; L157-L189 HydrophobicContact CD1-CD1 3.65Å
158	W	77.2	Confident	83.7	Confident	236 Å²	236	59.5 Å²	59.5	89%	0.894	30%	0.299	S	S	*	.	H	α-helix	trans	-69	-24.4	-179.1	-154.4	-85.9	0	0	0	113	E155 A156	E155-W158 PolarHBondContact O-N 3.39Å; A156-W158 PolarHBondContact O-N 3.44Å
159	E	81.8	Confident	83.5	Confident	122 Å²	122	62.2 Å²	62.2	57%	0.57	31%	0.311	S	S	*	.	H	α-helix	trans	-92.6	-21.5	178	-62.9	-176.7	-174.3	0	0	112.5	A156 L157	A156-E159 PolarHBondContact O-N 2.98Å; A156-E159 VanDerWaalsContact O-N 3.13Å; L157-E159 PolarHBondContact O-N 3.34Å
160	L	85.1	Confident	83.5	Confident	16 Å²	16	62.3 Å²	62.3	8%	0.084	31%	0.312	C	S	.	.			trans	-86.9	132.4	-172.7	-67.1	161.2	0	0	0	111.9	I128 L133 I140 A156 L157 L162	I128-L160 HydrophobicContact CD1-CD1 4.28Å; I128-L160 HydrophobicContact CG2-CD1 3.6Å; L133-L160 HydrophobicContact CB-CD2 3.36Å; L133-L160 HydrophobicContact CD1-CD2 4.35Å; L133-L160 HydrophobicContact CG-CD2 4.46Å; I140-L160 HydrophobicContact CD1-CD2 3.45Å; I140-L160 VanDerWaalsContact CD1-CD2 3.45Å; A156-L160 HydrophobicContact CB-CD1 4.13Å; A156-L160 WeakPolarHBondContact O-CD1 3.31Å; A156-L160 WeakPolarHBondContact O-CG 3.41Å; A156-L160 PolarHBondContact O-N 3.14Å; L157-L160 PolarHBondContact O-N 3.39Å; L160-L162 HydrophobicContact CB-CD2 4.35Å; L160-L162 HydrophobicContact CB-CG 4.43Å; L160-L162 PolarHBondContact O-N 3.01Å; L160-L162 VanDerWaalsContact O-N 3.16Å
161	K	85.1	Confident	83.6	Confident	119 Å²	119	62.1 Å²	62.1	52%	0.517	32%	0.317	S	S	.	.			trans	-84.4	86	169.9	-65.3	178.9	-176.5	173	0	109.5	K139 I140	K139-K161 CarbonylContact C-O 3.47Å; K139-K161 WeakPolarHBondContact CA-O 3.2Å; I140-K161 PolarHBondContact N-O 3.33Å
162	L	84.6	Confident	83.8	Confident	37 Å²	37	60.2 Å²	60.2	19%	0.194	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-73.6	145.8	175.1	-60.9	178.1	0	0	0	111.4	I140 L142 L157 L160 V167 I170	I140-L162 HydrophobicContact CB-CD2 4.47Å; L142-L162 HydrophobicContact CD1-CD2 4.13Å; L157-L162 HydrophobicContact CD2-CD1 3.66Å; L160-L162 HydrophobicContact CB-CD2 4.35Å; L160-L162 HydrophobicContact CB-CG 4.43Å; L160-L162 PolarHBondContact O-N 3.01Å; L160-L162 VanDerWaalsContact O-N 3.16Å; L162-V167 HydrophobicContact CB-CG2 3.59Å; L162-V167 HydrophobicContact CD1-CG2 4.24Å; L162-I170 HydrophobicContact CD1-CD1 3.99Å; L162-I170 HydrophobicContact CD2-CD1 4.45Å
163	D	83.1	Confident	83.9	Confident	3 Å²	3	63.8 Å²	63.8	2%	0.016	31%	0.313	C	S	.	.			trans	-78.6	119	175.4	-164.3	36	0	0	0	109.3	K139 I140 R141 D165 S166 V167	K139-D163 HydrophobicContact CB-CB 4.44Å; K139-D163 WeakPolarHBondContact CD-OD1 3.24Å; K139-D163 IonicContact NZ-OD1 2.83Å; K139-D163 PolarHBondContact NZ-OD1 2.99Å; I140-D163 PolarHBondContact O-N 3.31Å; R141-D163 HydrophobicContact CG-CB 3.98Å; R141-D163 IonicContact CZ-OD2 3.37Å; R141-D163 IonicContact NE-OD2 2.9Å; R141-D163 PolarHBondContact NE-OD2 3.34Å; R141-D163 IonicContact NH2-OD2 2.92Å; R141-D163 PolarHBondContact NH2-OD2 3.41Å; D163-D165 PolarHBondContact O-N 3.07Å; D163-D165 VanDerWaalsContact O-N 3.09Å; D163-S166 PolarHBondContact O-N 2.89Å; D163-S166 PolarHBondContact O-OG 3.35Å; D163-V167 VanDerWaalsContact O-CG2 3.3Å; D163-V167 WeakPolarHBondContact O-CG2 3.19Å; D163-V167 PolarHBondContact O-N 3.33Å
164	P	80.5	Confident	83.7	Confident	86 Å²	86	66.1 Å²	66.1	56%	0.558	33%	0.328	S	S	*	.	H	α-helix	trans	-56.8	-33	-169.3	22.1	-34.5	0	0	0	113.3	S166 V167	P164-S166 PolarHBondContact O-N 3.3Å; P164-V167 PolarHBondContact O-N 3.17Å
165	D	81.3	Confident	83.6	Confident	133 Å²	133	64.7 Å²	64.7	71%	0.711	32%	0.323	S	S	*	.	H	α-helix	trans	-68	-24.3	179.3	-56.8	-29.5	0	0	0	112.9	D163	D163-D165 PolarHBondContact O-N 3.07Å; D163-D165 VanDerWaalsContact O-N 3.09Å
166	S	82.9	Confident	83.1	Confident	7 Å²	7	64.9 Å²	64.9	5%	0.049	33%	0.331	C	S	.	.	H	α-helix	trans	-98.2	-10	-178.2	69.9	0	0	0	0	113.8	D163 P164 E169 I170	D163-S166 PolarHBondContact O-N 2.89Å; D163-S166 PolarHBondContact O-OG 3.35Å; P164-S166 PolarHBondContact O-N 3.3Å; S166-E169 PolarHBondContact O-N 3.18Å; S166-I170 WeakPolarHBondContact O-CG1 3.29Å
167	V	82.4	Confident	82.4	Confident	17 Å²	17	67.2 Å²	67.2	10%	0.103	34%	0.341	C	S	.	.	H	α-helix	trans	-70.1	-37.9	-169.8	164.4	0	0	0	0	112	L162 D163 P164 E169 I170 V186	L162-V167 HydrophobicContact CB-CG2 3.59Å; L162-V167 HydrophobicContact CD1-CG2 4.24Å; D163-V167 VanDerWaalsContact O-CG2 3.3Å; D163-V167 WeakPolarHBondContact O-CG2 3.19Å; D163-V167 PolarHBondContact O-N 3.33Å; P164-V167 PolarHBondContact O-N 3.17Å; V167-E169 PolarHBondContact O-N 2.78Å; V167-I170 WeakPolarHBondContact O-CB 3.29Å; V167-I170 PolarHBondContact O-N 3.02Å; V167-I170 VanDerWaalsContact O-N 3.17Å; V167-V186 HydrophobicContact CG1-CB 3.68Å; V167-V186 HydrophobicContact CG1-CG1 4.21Å; V167-V186 HydrophobicContact CG1-CG2 3.09Å
168	D	81.8	Confident	81.9	Confident	120 Å²	120	74.6 Å²	74.6	64%	0.642	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.7	-179.9	-68.1	-26.7	0	0	0	112.8	I170 P184	D168-I170 VanDerWaalsContact C-N 3.34Å; D168-P184 WeakPolarHBondContact O-CB 3.22Å
169	E	84.8	Confident	81.6	Confident	98 Å²	98	69.7 Å²	69.7	46%	0.458	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.2	178.8	-61.4	179.7	169.7	0	0	113	S143 H144 S166 V167 A171	S143-E169 VanDerWaalsContact CB-CB 3.49Å; S143-E169 VanDerWaalsContact CB-OE2 3.3Å; S143-E169 WeakPolarHBondContact CB-OE2 3.45Å; S143-E169 PolarHBondContact OG-OE2 3.2Å; H144-E169 IonicContact CD2-OE2 3.52Å; H144-E169 IonicContact NE2-OE2 3.61Å; S166-E169 PolarHBondContact O-N 3.18Å; V167-E169 PolarHBondContact O-N 2.78Å; E169-A171 PolarHBondContact O-N 3.25Å
170	I	87.9	Confident	81.2	Confident	4 Å²	4	64.5 Å²	64.5	2%	0.021	34%	0.338	C	S	.	.			trans	-81.9	108.8	176.3	-55.2	177.5	0	0	0	107.9	L142 L147 L162 S166 V167 D168 P184 L185	L142-I170 HydrophobicContact CB-CD1 4.38Å; L147-I170 HydrophobicContact CD1-CG2 3.46Å; L147-I170 VanDerWaalsContact CD1-CG2 3.46Å; L162-I170 HydrophobicContact CD1-CD1 3.99Å; L162-I170 HydrophobicContact CD2-CD1 4.45Å; S166-I170 WeakPolarHBondContact O-CG1 3.29Å; V167-I170 WeakPolarHBondContact O-CB 3.29Å; V167-I170 PolarHBondContact O-N 3.02Å; V167-I170 VanDerWaalsContact O-N 3.17Å; D168-I170 VanDerWaalsContact C-N 3.34Å; I170-P184 CarbonylContact O-C 3.55Å; I170-P184 WeakPolarHBondContact O-CA 3.42Å; I170-L185 HydrophobicContact CB-CB 4.39Å; I170-L185 HydrophobicContact CG2-CB 4.06Å; I170-L185 HydrophobicContact CG2-CD2 3.62Å; I170-L185 WeakPolarHBondContact O-CB 3.35Å; I170-L185 PolarHBondContact O-N 3Å
171	A	87.1	Confident	81	Confident	38 Å²	38	67.1 Å²	67.1	31%	0.314	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-120.6	148.2	178.2	0	0	0	0	0	111.8	E169 H173 K183	E169-A171 PolarHBondContact O-N 3.25Å; A171-H173 PolarHBondContact O-N 3.4Å; A171-K183 WeakPolarHBondContact CA-O 3.37Å
172	C	87.6	Confident	80.8	Confident	3 Å²	3	64.4 Å²	64.4	2%	0.02	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.3	173.5	-60.1	0	0	0	0	110	C149 F180 G182 K183	C149-C172 HydrophobicContact CB-CB 3.75Å; C149-C172 WeakPolarHBondContact CB-SG 3.37Å; C149-C172 VanDerWaalsContact SG-CA 3.5Å; C149-C172 WeakPolarHBondContact SG-CB 3.34Å; C149-C172 CovalentContact SG-SG 2.01Å; C149-C172 PolarHBondContact SG-SG 3.12Å; C172-F180 WeakPolarHBondContact CB-O 3.06Å; C172-G182 PolarHBondContact O-N 3.37Å; C172-K183 PolarHBondContact N-O 3.07Å
173	H	86.1	Confident	80.5	Confident	122 Å²	122	66.9 Å²	66.9	57%	0.565	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	-39.7	173.1	-175.3	69.9	0	0	0	111.6	P146 L147 A171 V181	P146-H173 HydrophobicContact CB-CB 4.02Å; L147-H173 PolarHBondContact O-N 3.33Å; A171-H173 PolarHBondContact O-N 3.4Å; H173-V181 WeakPolarHBondContact O-CG1 3.24Å
174	T	82.9	Confident	80.6	Confident	55 Å²	55	68.4 Å²	68.4	34%	0.337	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.4	173.5	51.9	0	0	0	0	108.7	L147 H148 C149	L147-T174 PolarHBondContact O-N 3.13Å; H148-T174 CarbonylContact C-O 3.46Å; H148-T174 WeakPolarHBondContact CA-O 3.36Å; H148-T174 WeakPolarHBondContact ND1-CB 3.49Å; H148-T174 PolarHBondContact ND1-OG1 3Å; C149-T174 PolarHBondContact N-O 2.98Å
175	S	81.1	Confident	80.7	Confident	19 Å²	19	64.4 Å²	64.4	13%	0.133	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	149.6	-179.1	170	0	0	0	0	109	C149 Q177	C149-S175 WeakPolarHBondContact O-CA 3.38Å; S175-Q177 WeakPolarHBondContact CB-O 3.42Å; S175-Q177 PolarHBondContact O-N 3.15Å; S175-Q177 PolarHBondContact OG-N 3.17Å; S175-Q177 PolarHBondContact OG-O 3.37Å
176	V	74.7	Confident	80.6	Confident	102 Å²	102	60.1 Å²	60.1	62%	0.618	33%	0.332	S	S	*	.	S	Bend	trans	-62.4	-28.8	171	179.5	0	0	0	0	110.9	C149 E150	C149-V176 PolarHBondContact O-N 3.42Å; E150-V176 HydrophobicContact CB-CG2 4.48Å
177	Q	70.1	Confident	80.4	Confident	51 Å²	51	66.1 Å²	66.1	24%	0.238	36%	0.359	C	S	.	.	S	Bend	trans	-107.7	115.2	172.2	-60.2	-174.4	12.1	0	0	109.3	S175 E179 F180 S197	S175-Q177 WeakPolarHBondContact CB-O 3.42Å; S175-Q177 PolarHBondContact O-N 3.15Å; S175-Q177 PolarHBondContact OG-N 3.17Å; S175-Q177 PolarHBondContact OG-O 3.37Å; Q177-E179 PolarHBondContact O-N 3.09Å; Q177-F180 HydrophobicContact CB-CD2 3.79Å; Q177-F180 HydrophobicContact CB-CE2 3.79Å; Q177-F180 HydrophobicContact CG-CE2 4.29Å; Q177-F180 PolarHBondContact O-N 3.48Å; Q177-S197 PolarHBondContact NE2-O 2.81Å; Q177-S197 PolarHBondContact NE2-OG 3.05Å
178	E	71.8	Confident	80.2	Confident	179 Å²	179	65.8 Å²	65.8	84%	0.836	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-58.2	-21.3	-176.7	-64.5	-172.1	170.9	0	0	113.4	F180 V181	E178-F180 PolarHBondContact O-N 3.03Å; E178-V181 PolarHBondContact O-N 3.03Å
179	E	71	Confident	80	Confident	132 Å²	132	62.1 Å²	62.1	62%	0.617	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-65.6	-19.7	-178.6	-172	169.7	-171.4	0	0	114.7	Q177 K183	Q177-E179 PolarHBondContact O-N 3.09Å; E179-K183 WeakPolarHBondContact O-CD 3.41Å; E179-K183 WeakPolarHBondContact O-CE 3.49Å; E179-K183 PolarHBondContact O-NZ 2.93Å
180	F	73.8	Confident	79.6	Confident	14 Å²	14	63.9 Å²	63.9	6%	0.061	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-96.2	-9	-179.1	-57.2	-54.6	0	0	0	114	C172 Q177 E178 G182 K183 A188 A193 L195	C172-F180 WeakPolarHBondContact CB-O 3.06Å; Q177-F180 HydrophobicContact CB-CD2 3.79Å; Q177-F180 HydrophobicContact CB-CE2 3.79Å; Q177-F180 HydrophobicContact CG-CE2 4.29Å; Q177-F180 PolarHBondContact O-N 3.48Å; E178-F180 PolarHBondContact O-N 3.03Å; F180-G182 PolarHBondContact O-N 3.16Å; F180-K183 PolarHBondContact O-N 3.13Å; F180-A188 HydrophobicContact CD1-CB 3.98Å; F180-A188 HydrophobicContact CE1-CB 4.4Å; F180-A193 HydrophobicContact CD1-CB 4.38Å; F180-A193 HydrophobicContact CE1-CB 3.35Å; F180-A193 HydrophobicContact CZ-CB 3.5Å; F180-A193 VanDerWaalsContact CZ-CB 3.5Å; F180-L195 HydrophobicContact CD2-CD2 3.54Å; F180-L195 HydrophobicContact CE2-CD2 3.88Å; F180-L195 HydrophobicContact CG-CD2 4.12Å
181	V	80.6	Confident	78.9	Confident	71 Å²	71	67.8 Å²	67.8	43%	0.43	38%	0.383	S	S	.	.	B	Isolated β-bridge	trans	-64.6	127.2	-179	178.2	0	0	0	0	110.2	H173 E178 K183	H173-V181 WeakPolarHBondContact O-CG1 3.24Å; E178-V181 PolarHBondContact O-N 3.03Å; V181-K183 VanDerWaalsContact C-N 3.26Å; V181-K183 PolarHBondContact O-N 2.85Å
182	G	79.9	Confident	78	Confident	61 Å²	61	69.1 Å²	69.1	63%	0.629	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-2.5	179	0	0	0	0	0	115.5	C172 F180	C172-G182 PolarHBondContact O-N 3.37Å; F180-G182 PolarHBondContact O-N 3.16Å
183	K	79.8	Confident	77.2	Confident	89 Å²	89	70 Å²	70	39%	0.387	41%	0.409	S	S	.	.	S	Bend	trans	-87.6	146.5	173.3	-69.2	-179.3	-177.3	159.6	0	110.9	A171 C172 E179 F180 V181	A171-K183 WeakPolarHBondContact CA-O 3.37Å; C172-K183 PolarHBondContact N-O 3.07Å; E179-K183 WeakPolarHBondContact O-CD 3.41Å; E179-K183 WeakPolarHBondContact O-CE 3.49Å; E179-K183 PolarHBondContact O-NZ 2.93Å; F180-K183 PolarHBondContact O-N 3.13Å; V181-K183 VanDerWaalsContact C-N 3.26Å; V181-K183 PolarHBondContact O-N 2.85Å
184	P	83.8	Confident	76.6	Confident	35 Å²	35	66.6 Å²	66.6	23%	0.227	40%	0.398	C	S	.	.	B	Isolated β-bridge	trans	-66	136.3	172.2	25.9	-29.4	0	0	0	110	D168 I170 V186 Q187 A188	D168-P184 WeakPolarHBondContact O-CB 3.22Å; I170-P184 CarbonylContact O-C 3.55Å; I170-P184 WeakPolarHBondContact O-CA 3.42Å; P184-V186 PolarHBondContact O-N 3.44Å; P184-Q187 HydrophobicContact CG-CB 3.79Å; P184-Q187 VanDerWaalsContact CG-OE1 3.31Å; P184-Q187 PolarHBondContact O-N 3.07Å; P184-A188 PolarHBondContact O-N 3.19Å; P184-A188 VanDerWaalsContact O-N 3.12Å
185	L	82.9	Confident	76.2	Confident	3 Å²	3	64.9 Å²	64.9	2%	0.016	39%	0.387	C	S	.	.	H	α-helix	trans	-64	-39.8	-168.4	-177.6	57.3	0	0	0	112.1	L153 L157 I170 A188 L189 L195	L153-L185 HydrophobicContact CD2-CD1 4.13Å; L153-L185 HydrophobicContact CD2-CD2 4.04Å; L157-L185 HydrophobicContact CD1-CD1 4.19Å; L157-L185 HydrophobicContact CD1-CD2 3.5Å; L157-L185 HydrophobicContact CD1-CG 3.87Å; L157-L185 HydrophobicContact CD2-CD2 3.92Å; L157-L185 HydrophobicContact CG-CD2 4.31Å; I170-L185 HydrophobicContact CB-CB 4.39Å; I170-L185 HydrophobicContact CG2-CB 4.06Å; I170-L185 HydrophobicContact CG2-CD2 3.62Å; I170-L185 WeakPolarHBondContact O-CB 3.35Å; I170-L185 PolarHBondContact O-N 3Å; L185-A188 PolarHBondContact O-N 3.46Å; L185-L189 HydrophobicContact CD1-CD1 4.19Å; L185-L189 HydrophobicContact CG-CD1 4.08Å; L185-L189 VanDerWaalsContact O-CG 3.3Å; L185-L189 WeakPolarHBondContact O-CG 3.25Å; L185-L189 PolarHBondContact O-N 2.92Å; L185-L195 HydrophobicContact CD1-CD1 4.11Å
186	V	79.4	Confident	76	Confident	43 Å²	43	66 Å²	66	26%	0.261	40%	0.395	S	S	.	.	H	α-helix	trans	-72.1	-37.5	179.5	165.3	0	0	0	0	112.7	V167 P184 A188 L189 D190	V167-V186 HydrophobicContact CG1-CB 3.68Å; V167-V186 HydrophobicContact CG1-CG1 4.21Å; V167-V186 HydrophobicContact CG1-CG2 3.09Å; P184-V186 PolarHBondContact O-N 3.44Å; V186-A188 VanDerWaalsContact C-N 3.28Å; V186-A188 PolarHBondContact O-N 2.85Å; V186-L189 PolarHBondContact O-N 3.42Å; V186-D190 WeakPolarHBondContact CG1-OD2 3.22Å; V186-D190 VanDerWaalsContact O-CB 3.31Å; V186-D190 WeakPolarHBondContact O-CB 3.47Å; V186-D190 PolarHBondContact O-N 3.16Å
187	Q	79.9	Confident	75.7	Confident	132 Å²	132	63.9 Å²	63.9	62%	0.617	38%	0.384	S	S	*	.	H	α-helix	trans	-63.1	-37.6	173.2	-167.5	179.9	14.9	0	0	111.8	P184 A191	P184-Q187 HydrophobicContact CG-CB 3.79Å; P184-Q187 VanDerWaalsContact CG-OE1 3.31Å; P184-Q187 PolarHBondContact O-N 3.07Å; Q187-A191 VanDerWaalsContact O-CB 3.23Å; Q187-A191 WeakPolarHBondContact O-CB 3.27Å; Q187-A191 PolarHBondContact O-N 3.17Å; Q187-A191 VanDerWaalsContact O-N 3.09Å
188	A	77.3	Confident	75.2	Confident	10 Å²	10	66 Å²	66	8%	0.083	40%	0.4	C	S	.	.	H	α-helix	trans	-64.1	-47.4	175.2	0	0	0	0	0	111.1	F180 P184 L185 V186 A191 A193	F180-A188 HydrophobicContact CD1-CB 3.98Å; F180-A188 HydrophobicContact CE1-CB 4.4Å; P184-A188 PolarHBondContact O-N 3.19Å; P184-A188 VanDerWaalsContact O-N 3.12Å; L185-A188 PolarHBondContact O-N 3.46Å; V186-A188 VanDerWaalsContact C-N 3.28Å; V186-A188 PolarHBondContact O-N 2.85Å; A188-A191 PolarHBondContact O-N 3.34Å; A188-A193 HydrophobicContact CB-CB 4.49Å; A188-A193 WeakPolarHBondContact O-CB 3.35Å; A188-A193 PolarHBondContact O-N 3.14Å; A188-A193 VanDerWaalsContact O-N 3.13Å
189	L	77.3	Confident	74.4	Confident	44 Å²	44	61.4 Å²	61.4	23%	0.23	39%	0.386	C	S	.	.	H	α-helix	trans	-66.8	-42.5	-179.7	-69.3	167	0	0	0	112.7	Q154 L157 L185 V186 A191 G192	Q154-L189 HydrophobicContact CG-CD2 4Å; L157-L189 HydrophobicContact CD1-CD1 3.65Å; L185-L189 HydrophobicContact CD1-CD1 4.19Å; L185-L189 HydrophobicContact CG-CD1 4.08Å; L185-L189 VanDerWaalsContact O-CG 3.3Å; L185-L189 WeakPolarHBondContact O-CG 3.25Å; L185-L189 PolarHBondContact O-N 2.92Å; V186-L189 PolarHBondContact O-N 3.42Å; L189-A191 VanDerWaalsContact C-N 3.29Å; L189-A191 PolarHBondContact O-N 2.97Å; L189-G192 PolarHBondContact O-N 3.09Å
190	D	77	Confident	73.5	Confident	135 Å²	135	61.5 Å²	61.5	72%	0.722	39%	0.386	S	S	*	.	H	α-helix	trans	-68.3	-28	178.3	-77.1	-11.5	0	0	0	112.6	V186 G192	V186-D190 WeakPolarHBondContact CG1-OD2 3.22Å; V186-D190 VanDerWaalsContact O-CB 3.31Å; V186-D190 WeakPolarHBondContact O-CB 3.47Å; V186-D190 PolarHBondContact O-N 3.16Å; D190-G192 PolarHBondContact O-N 3.38Å; D190-G192 VanDerWaalsContact O-N 3.15Å
191	A	72.4	Confident	72.6	Confident	86 Å²	86	71.3 Å²	71.3	71%	0.711	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	2.5	170.7	0	0	0	0	0	113.2	Q187 A188 L189	Q187-A191 VanDerWaalsContact O-CB 3.23Å; Q187-A191 WeakPolarHBondContact O-CB 3.27Å; Q187-A191 PolarHBondContact O-N 3.17Å; Q187-A191 VanDerWaalsContact O-N 3.09Å; A188-A191 PolarHBondContact O-N 3.34Å; L189-A191 VanDerWaalsContact C-N 3.29Å; L189-A191 PolarHBondContact O-N 2.97Å
192	G	67.9	Low	71.4	Confident	66 Å²	66	72.7 Å²	72.7	68%	0.68	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.6	17.1	-179.5	0	0	0	0	0	113.6	L189 D190 S194	L189-G192 PolarHBondContact O-N 3.09Å; D190-G192 PolarHBondContact O-N 3.38Å; D190-G192 VanDerWaalsContact O-N 3.15Å; G192-S194 PolarHBondContact O-N 3.08Å
193	A	70.6	Confident	70.5	Confident	22 Å²	22	73.5 Å²	73.5	18%	0.182	42%	0.424	C	S	.	.			trans	-67.9	128.4	174.9	0	0	0	0	0	110.9	F180 A188	F180-A193 HydrophobicContact CD1-CB 4.38Å; F180-A193 HydrophobicContact CE1-CB 3.35Å; F180-A193 HydrophobicContact CZ-CB 3.5Å; F180-A193 VanDerWaalsContact CZ-CB 3.5Å; A188-A193 HydrophobicContact CB-CB 4.49Å; A188-A193 WeakPolarHBondContact O-CB 3.35Å; A188-A193 PolarHBondContact O-N 3.14Å; A188-A193 VanDerWaalsContact O-N 3.13Å
194	S	74.3	Confident	69.6	Low	50 Å²	50	73.8 Å²	73.8	35%	0.35	43%	0.43	S	S	.	.			trans	-101.6	107.9	172.3	-177.5	0	0	0	0	109.7	G192 C196 S197	G192-S194 PolarHBondContact O-N 3.08Å; S194-C196 PolarHBondContact O-N 3.41Å; S194-C196 PolarHBondContact OG-N 2.6Å; S194-S197 PolarHBondContact O-N 3.05Å; S194-S197 VanDerWaalsContact O-N 3.15Å; S194-S197 PolarHBondContact O-OG 2.62Å; S194-S197 PolarHBondContact OG-N 3.42Å
195	L	75.6	Confident	69	Low	19 Å²	19	76.4 Å²	76.4	10%	0.099	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-18.9	171.1	-64.5	174.5	0	0	0	111.6	C149 Q154 F180 L185	C149-L195 HydrophobicContact CB-CD1 4.24Å; C149-L195 HydrophobicContact CB-CD2 4.06Å; Q154-L195 HydrophobicContact CB-CB 4.28Å; Q154-L195 HydrophobicContact CB-CD1 4.2Å; F180-L195 HydrophobicContact CD2-CD2 3.54Å; F180-L195 HydrophobicContact CE2-CD2 3.88Å; F180-L195 HydrophobicContact CG-CD2 4.12Å; L185-L195 HydrophobicContact CD1-CD1 4.11Å
196	C	75.6	Confident	68.5	Low	43 Å²	43	78.9 Å²	78.9	29%	0.291	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.1	177.1	-63.3	0	0	0	0	114.4	C151 S194 V198	C151-C196 WeakPolarHBondContact CA-SG 3.44Å; C151-C196 HydrophobicContact CB-CB 3.85Å; C151-C196 WeakPolarHBondContact CB-SG 3.33Å; C151-C196 WeakPolarHBondContact SG-CB 3.5Å; C151-C196 CovalentContact SG-SG 2.05Å; C151-C196 PolarHBondContact SG-SG 2.65Å; S194-C196 PolarHBondContact O-N 3.41Å; S194-C196 PolarHBondContact OG-N 2.6Å; C196-V198 PolarHBondContact O-N 2.99Å
197	S	68.5	Low	68.4	Low	56 Å²	56	82.6 Å²	82.6	39%	0.392	48%	0.482	S	S	.	.			trans	-72	85.1	172.8	59.7	0	0	0	0	109.8	Q177 S194	Q177-S197 PolarHBondContact NE2-O 2.81Å; Q177-S197 PolarHBondContact NE2-OG 3.05Å; S194-S197 PolarHBondContact O-N 3.05Å; S194-S197 VanDerWaalsContact O-N 3.15Å; S194-S197 PolarHBondContact O-OG 2.62Å; S194-S197 PolarHBondContact OG-N 3.42Å
198	V	59.2	Low	68.5	Low	97 Å²	97	80.5 Å²	80.5	59%	0.588	47%	0.474	S	S	*	.			trans	-54.4	134.3	166.3	-175.8	0	0	0	0	106.9	C196 H200	C196-V198 PolarHBondContact O-N 2.99Å; V198-H200 PolarHBondContact O-N 3.38Å
199	P	56.6	Low	68.9	Low	82 Å²	82	84.6 Å²	84.6	53%	0.532	50%	0.498	S	S	.	.			trans	-70	79.6	178.1	29.7	-33.5	0	0	0	109.4	R201	P199-R201 PolarHBondContact O-N 2.86Å
200	H	51.4	Low	69.5	Low	134 Å²	134	87.1 Å²	87.1	62%	0.62	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-5.9	165.9	-81.8	-65.4	0	0	0	112.1	V198 T202 T203	V198-H200 PolarHBondContact O-N 3.38Å; H200-T202 VanDerWaalsContact C-N 3.29Å; H200-T202 PolarHBondContact O-N 3.45Å; H200-T203 PolarHBondContact O-OG1 2.7Å; H200-T203 VanDerWaalsContact O-OG1 3.13Å
201	R	55.3	Low	70.1	Confident	220 Å²	220	84.6 Å²	84.6	83%	0.83	50%	0.5	S	S	*	.	H	α-helix	trans	-69.4	-21.3	-175.2	-132.2	-179	-174.5	177.4	2.2	113.9	P199 V205	P199-R201 PolarHBondContact O-N 2.86Å; R201-V205 WeakPolarHBondContact O-CG2 3.31Å
202	T	55.4	Low	71.2	Confident	100 Å²	100	87.8 Å²	87.8	61%	0.613	50%	0.498	S	S	*	.	H	α-helix	trans	-91.9	-29.2	-178.2	53.8	0	0	0	0	113.6	H200 A206	H200-T202 VanDerWaalsContact C-N 3.29Å; H200-T202 PolarHBondContact O-N 3.45Å; T202-A206 VanDerWaalsContact O-CB 3.27Å; T202-A206 WeakPolarHBondContact O-CB 3.3Å; T202-A206 PolarHBondContact O-N 2.92Å
203	T	59.4	Low	72.4	Confident	77 Å²	77	86.6 Å²	86.6	47%	0.472	49%	0.487	S	S	.	.	H	α-helix	trans	-69.5	-35.8	175.5	48.4	0	0	0	0	112.1	H200 M207	H200-T203 PolarHBondContact O-OG1 2.7Å; H200-T203 VanDerWaalsContact O-OG1 3.13Å; T203-M207 VanDerWaalsContact O-CB 3.3Å; T203-M207 WeakPolarHBondContact O-CB 3.42Å; T203-M207 VanDerWaalsContact O-CG 3.27Å; T203-M207 WeakPolarHBondContact O-CG 3.26Å; T203-M207 PolarHBondContact O-N 3.29Å
204	D	62	Low	73.6	Confident	96 Å²	96	92.9 Å²	92.9	51%	0.513	51%	0.506	S	S	.	.	H	α-helix	trans	-69.7	-43.9	-179.2	-150.4	4.7	0	0	0	111.2	M207 L208	D204-M207 PolarHBondContact O-N 2.81Å; D204-L208 VanDerWaalsContact O-CB 3.31Å; D204-L208 WeakPolarHBondContact O-CB 3.44Å; D204-L208 WeakPolarHBondContact O-CD1 3.49Å; D204-L208 WeakPolarHBondContact O-CG 3.33Å; D204-L208 PolarHBondContact O-N 3.42Å
205	V	71.7	Confident	74.7	Confident	90 Å²	90	95.2 Å²	95.2	55%	0.545	51%	0.51	S	S	.	.	H	α-helix	trans	-65.7	-43.9	175.3	179.3	0	0	0	0	111.4	R201 L208 V209	R201-V205 WeakPolarHBondContact O-CG2 3.31Å; V205-L208 PolarHBondContact O-N 3.44Å; V205-V209 HydrophobicContact CG1-CG2 4.35Å; V205-V209 WeakPolarHBondContact O-CB 3.39Å; V205-V209 VanDerWaalsContact O-CG2 3.22Å; V205-V209 WeakPolarHBondContact O-CG2 3.49Å; V205-V209 PolarHBondContact O-N 2.81Å
206	A	72.1	Confident	75.6	Confident	55 Å²	55	97.1 Å²	97.1	46%	0.455	53%	0.528	S	S	.	.	H	α-helix	trans	-64	-44	177.9	0	0	0	0	0	111.9	T202 V209 T210	T202-A206 VanDerWaalsContact O-CB 3.27Å; T202-A206 WeakPolarHBondContact O-CB 3.3Å; T202-A206 PolarHBondContact O-N 2.92Å; A206-V209 PolarHBondContact O-N 3.4Å; A206-T210 VanDerWaalsContact O-CG2 3.3Å; A206-T210 WeakPolarHBondContact O-CG2 3.22Å; A206-T210 PolarHBondContact O-N 3.21Å; A206-T210 PolarHBondContact O-OG1 3.18Å
207	M	76.1	Confident	76.6	Confident	121 Å²	121	100.4 Å²	100.4	60%	0.596	54%	0.54	S	S	*	.	H	α-helix	trans	-63.3	-44	175.5	-75.9	-154.9	-46.1	0	0	111.7	T203 D204 V209 T210 M211	T203-M207 VanDerWaalsContact O-CB 3.3Å; T203-M207 WeakPolarHBondContact O-CB 3.42Å; T203-M207 VanDerWaalsContact O-CG 3.27Å; T203-M207 WeakPolarHBondContact O-CG 3.26Å; T203-M207 PolarHBondContact O-N 3.29Å; D204-M207 PolarHBondContact O-N 2.81Å; M207-V209 PolarHBondContact O-N 3.41Å; M207-T210 WeakPolarHBondContact CA-OG1 3.32Å; M207-T210 PolarHBondContact O-N 3.05Å; M207-T210 PolarHBondContact O-OG1 3.26Å; M207-M211 WeakPolarHBondContact O-CB 3.41Å; M207-M211 PolarHBondContact O-N 3.26Å
208	L	82.9	Confident	78	Confident	87 Å²	87	99.6 Å²	99.6	46%	0.455	53%	0.533	S	S	.	.	H	α-helix	trans	-60.1	-46.2	175.9	-74.2	168.3	0	0	0	111.6	D204 V205 T210 M211 F212	D204-L208 VanDerWaalsContact O-CB 3.31Å; D204-L208 WeakPolarHBondContact O-CB 3.44Å; D204-L208 WeakPolarHBondContact O-CD1 3.49Å; D204-L208 WeakPolarHBondContact O-CG 3.33Å; D204-L208 PolarHBondContact O-N 3.42Å; V205-L208 PolarHBondContact O-N 3.44Å; L208-T210 VanDerWaalsContact C-N 3.33Å; L208-T210 PolarHBondContact O-N 2.99Å; L208-M211 WeakPolarHBondContact O-CB 3.01Å; L208-M211 PolarHBondContact O-N 2.8Å; L208-F212 WeakPolarHBondContact O-CD2 3.46Å; L208-F212 PolarHBondContact O-N 2.84Å
209	V	86.8	Confident	79.7	Confident	97 Å²	97	99.8 Å²	99.8	59%	0.588	53%	0.53	S	S	*	.	H	α-helix	trans	-60.8	-42.2	176.9	171.1	0	0	0	0	111.1	V205 A206 M207 G213	V205-V209 HydrophobicContact CG1-CG2 4.35Å; V205-V209 WeakPolarHBondContact O-CB 3.39Å; V205-V209 VanDerWaalsContact O-CG2 3.22Å; V205-V209 WeakPolarHBondContact O-CG2 3.49Å; V205-V209 PolarHBondContact O-N 2.81Å; A206-V209 PolarHBondContact O-N 3.4Å; M207-V209 PolarHBondContact O-N 3.41Å; V209-G213 PolarHBondContact O-N 3.33Å
210	T	88.9	Confident	81.6	Confident	96 Å²	96	98.8 Å²	98.8	59%	0.589	53%	0.529	S	S	*	.	H	α-helix	trans	-67.1	-36.3	176.5	60	0	0	0	0	112.9	A206 M207 L208 G213 W214	A206-T210 VanDerWaalsContact O-CG2 3.3Å; A206-T210 WeakPolarHBondContact O-CG2 3.22Å; A206-T210 PolarHBondContact O-N 3.21Å; A206-T210 PolarHBondContact O-OG1 3.18Å; M207-T210 WeakPolarHBondContact CA-OG1 3.32Å; M207-T210 PolarHBondContact O-N 3.05Å; M207-T210 PolarHBondContact O-OG1 3.26Å; L208-T210 VanDerWaalsContact C-N 3.33Å; L208-T210 PolarHBondContact O-N 2.99Å; T210-G213 PolarHBondContact O-N 3.37Å; T210-W214 WeakPolarHBondContact O-CB 3.46Å; T210-W214 PolarHBondContact O-N 2.93Å
211	M	90.4	Very high	83.8	Confident	82 Å²	82	98.9 Å²	98.9	40%	0.404	52%	0.524	S	S	.	.	H	α-helix	trans	-63.6	-51.5	174.3	-110.3	-89.2	81	0	0	111.5	M207 L208 G213 W214 F215	M207-M211 WeakPolarHBondContact O-CB 3.41Å; M207-M211 PolarHBondContact O-N 3.26Å; L208-M211 WeakPolarHBondContact O-CB 3.01Å; L208-M211 PolarHBondContact O-N 2.8Å; M211-G213 VanDerWaalsContact C-N 3.32Å; M211-G213 PolarHBondContact O-N 3.42Å; M211-W214 HydrophobicContact CE-CE3 4.22Å; M211-W214 PolarHBondContact O-N 3.44Å; M211-F215 HydrophobicContact CE-CD1 4.4Å; M211-F215 HydrophobicContact CE-CD2 3.44Å; M211-F215 VanDerWaalsContact CE-CD2 3.44Å; M211-F215 HydrophobicContact CE-CE1 4.07Å; M211-F215 HydrophobicContact CE-CE2 3.08Å; M211-F215 HydrophobicContact CE-CG 4.11Å; M211-F215 HydrophobicContact CE-CZ 3.41Å; M211-F215 VanDerWaalsContact CE-CZ 3.41Å; M211-F215 VanDerWaalsContact O-CD2 3.23Å; M211-F215 WeakPolarHBondContact O-CD2 3.37Å; M211-F215 PolarHBondContact O-N 2.77Å; M211-F215 HydrophobicContact SD-CD2 3.84Å; M211-F215 HydrophobicContact SD-CE2 3.15Å; M211-F215 WeakPolarHBondContact SD-CE2 3.07Å; M211-F215 HydrophobicContact SD-CZ 3.78Å
212	F	94.1	Very high	85.8	Confident	153 Å²	153	92.8 Å²	92.8	67%	0.671	51%	0.507	S	S	*	.	H	α-helix	trans	-62.5	-39.5	177.8	-81.6	-70.3	0	0	0	111.6	L208 A216	L208-F212 WeakPolarHBondContact O-CD2 3.46Å; L208-F212 PolarHBondContact O-N 2.84Å; F212-A216 WeakPolarHBondContact O-CB 3.14Å; F212-A216 PolarHBondContact O-N 2.03Å
213	G	94.1	Very high	87.7	Confident	42 Å²	42	91.9 Å²	91.9	43%	0.433	50%	0.501	S	S	.	.	H	α-helix	trans	-63	-44.3	175.4	0	0	0	0	0	112.9	V209 T210 M211 A216 M217	V209-G213 PolarHBondContact O-N 3.33Å; T210-G213 PolarHBondContact O-N 3.37Å; M211-G213 VanDerWaalsContact C-N 3.32Å; M211-G213 PolarHBondContact O-N 3.42Å; G213-A216 PolarHBondContact O-N 2.79Å; G213-M217 WeakPolarHBondContact O-CB 3.45Å; G213-M217 PolarHBondContact O-N 2.04Å
214	W	95.7	Very high	89.5	Confident	154 Å²	154	95.1 Å²	95.1	58%	0.583	51%	0.506	S	S	*	.	H	α-helix	trans	-67	-44	178.3	-166.8	81.4	0	0	0	111.9	T210 M211 A216 M217 V218	T210-W214 WeakPolarHBondContact O-CB 3.46Å; T210-W214 PolarHBondContact O-N 2.93Å; M211-W214 HydrophobicContact CE-CE3 4.22Å; M211-W214 PolarHBondContact O-N 3.44Å; W214-A216 PolarHBondContact O-N 3.31Å; W214-M217 PolarHBondContact O-N 3.27Å; W214-V218 HydrophobicContact CD2-CG2 3.91Å; W214-V218 HydrophobicContact CE3-CG2 3.96Å; W214-V218 HydrophobicContact CH2-CG2 3.92Å; W214-V218 HydrophobicContact CZ2-CG2 3.85Å; W214-V218 HydrophobicContact CZ3-CG2 3.96Å; W214-V218 WeakPolarHBondContact O-CG2 3.4Å; W214-V218 PolarHBondContact O-N 3.23Å
215	F	96.1	Very high	91.1	Very high	99 Å²	99	96.4 Å²	96.4	43%	0.434	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-43.9	175.2	-79.7	-54.4	0	0	0	112.5	M211 M217 V218 I219	M211-F215 HydrophobicContact CE-CD1 4.4Å; M211-F215 HydrophobicContact CE-CD2 3.44Å; M211-F215 VanDerWaalsContact CE-CD2 3.44Å; M211-F215 HydrophobicContact CE-CE1 4.07Å; M211-F215 HydrophobicContact CE-CE2 3.08Å; M211-F215 HydrophobicContact CE-CG 4.11Å; M211-F215 HydrophobicContact CE-CZ 3.41Å; M211-F215 VanDerWaalsContact CE-CZ 3.41Å; M211-F215 VanDerWaalsContact O-CD2 3.23Å; M211-F215 WeakPolarHBondContact O-CD2 3.37Å; M211-F215 PolarHBondContact O-N 2.77Å; M211-F215 HydrophobicContact SD-CD2 3.84Å; M211-F215 HydrophobicContact SD-CE2 3.15Å; M211-F215 WeakPolarHBondContact SD-CE2 3.07Å; M211-F215 HydrophobicContact SD-CZ 3.78Å; F215-M217 VanDerWaalsContact C-N 3.3Å; F215-M217 PolarHBondContact O-N 2.95Å; F215-V218 PolarHBondContact O-N 3.13Å; F215-I219 WeakPolarHBondContact O-CB 3.32Å; F215-I219 WeakPolarHBondContact O-CD1 3.33Å; F215-I219 WeakPolarHBondContact O-CG1 3.2Å; F215-I219 PolarHBondContact O-N 2.87Å
216	A	95.5	Very high	92.2	Very high	58 Å²	58	95.2 Å²	95.2	48%	0.479	50%	0.497	S	S	.	.	H	α-helix	trans	-60.4	-41.4	176.5	0	0	0	0	0	111.6	F212 G213 W214 A220	F212-A216 WeakPolarHBondContact O-CB 3.14Å; F212-A216 PolarHBondContact O-N 2.03Å; G213-A216 PolarHBondContact O-N 2.79Å; W214-A216 PolarHBondContact O-N 3.31Å; A216-A220 VanDerWaalsContact O-CB 3.26Å; A216-A220 WeakPolarHBondContact O-CB 3.4Å; A216-A220 PolarHBondContact O-N 2.76Å
217	M	96.3	Very high	93.1	Very high	112 Å²	112	100.1 Å²	100.1	55%	0.552	50%	0.504	S	S	*	.	H	α-helix	trans	-66.1	-43.7	177.6	-174.6	-100.9	140.7	0	0	112.3	G213 W214 F215 A220 Y221	G213-M217 WeakPolarHBondContact O-CB 3.45Å; G213-M217 PolarHBondContact O-N 2.04Å; W214-M217 PolarHBondContact O-N 3.27Å; F215-M217 VanDerWaalsContact C-N 3.3Å; F215-M217 PolarHBondContact O-N 2.95Å; M217-A220 PolarHBondContact O-N 3.23Å; M217-Y221 WeakPolarHBondContact O-CB 3.26Å; M217-Y221 PolarHBondContact O-N 2.91Å
218	V	97.3	Very high	93.9	Very high	40 Å²	40	97.6 Å²	97.6	24%	0.242	49%	0.491	C	S	.	.	H	α-helix	trans	-65.2	-44.6	176.3	171.9	0	0	0	0	111.4	W214 F215 A220 Y221 I222	W214-V218 HydrophobicContact CD2-CG2 3.91Å; W214-V218 HydrophobicContact CE3-CG2 3.96Å; W214-V218 HydrophobicContact CH2-CG2 3.92Å; W214-V218 HydrophobicContact CZ2-CG2 3.85Å; W214-V218 HydrophobicContact CZ3-CG2 3.96Å; W214-V218 WeakPolarHBondContact O-CG2 3.4Å; W214-V218 PolarHBondContact O-N 3.23Å; F215-V218 PolarHBondContact O-N 3.13Å; V218-A220 PolarHBondContact O-N 3.36Å; V218-Y221 PolarHBondContact O-N 2.93Å; V218-I222 HydrophobicContact CG1-CD1 3.82Å; V218-I222 HydrophobicContact CG1-CG1 4.44Å; V218-I222 VanDerWaalsContact O-CG1 3.31Å; V218-I222 WeakPolarHBondContact O-CG1 3.43Å; V218-I222 PolarHBondContact O-N 3.28Å
219	I	96.6	Very high	94.3	Very high	101 Å²	101	96.7 Å²	96.7	52%	0.518	49%	0.486	S	S	.	.	H	α-helix	trans	-61.6	-45.6	176.9	-68.7	165.3	0	0	0	110.1	F215 Y221 I222 V223	F215-I219 WeakPolarHBondContact O-CB 3.32Å; F215-I219 WeakPolarHBondContact O-CD1 3.33Å; F215-I219 WeakPolarHBondContact O-CG1 3.2Å; F215-I219 PolarHBondContact O-N 2.87Å; I219-Y221 VanDerWaalsContact C-N 3.34Å; I219-Y221 PolarHBondContact O-N 2.9Å; I219-I222 PolarHBondContact O-N 2.96Å; I219-V223 HydrophobicContact CG2-CG2 4.36Å; I219-V223 WeakPolarHBondContact O-CB 3.43Å; I219-V223 VanDerWaalsContact O-CG2 3.29Å; I219-V223 WeakPolarHBondContact O-CG2 3.33Å; I219-V223 PolarHBondContact O-N 2.88Å
220	A	96.4	Very high	94.5	Very high	61 Å²	61	97.7 Å²	97.7	50%	0.504	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-42.7	176.8	0	0	0	0	0	112	A216 M217 V218 V223 Y224	A216-A220 VanDerWaalsContact O-CB 3.26Å; A216-A220 WeakPolarHBondContact O-CB 3.4Å; A216-A220 PolarHBondContact O-N 2.76Å; M217-A220 PolarHBondContact O-N 3.23Å; V218-A220 PolarHBondContact O-N 3.36Å; A220-V223 PolarHBondContact O-N 3.16Å; A220-Y224 VanDerWaalsContact O-CB 3.27Å; A220-Y224 WeakPolarHBondContact O-CB 3.26Å; A220-Y224 PolarHBondContact O-N 2.92Å
221	Y	96.8	Very high	94.5	Very high	135 Å²	135	98.4 Å²	98.4	53%	0.529	48%	0.481	S	S	.	.	H	α-helix	trans	-62.8	-44.8	176.3	178.7	-98.6	0	0	0	112.5	M217 V218 I219 Y224 Y225	M217-Y221 WeakPolarHBondContact O-CB 3.26Å; M217-Y221 PolarHBondContact O-N 2.91Å; V218-Y221 PolarHBondContact O-N 2.93Å; I219-Y221 VanDerWaalsContact C-N 3.34Å; I219-Y221 PolarHBondContact O-N 2.9Å; Y221-Y224 PolarHBondContact O-N 3.29Å; Y221-Y225 VanDerWaalsContact O-CB 3.31Å; Y221-Y225 WeakPolarHBondContact O-CB 3.42Å; Y221-Y225 PolarHBondContact O-N 3.36Å
222	I	96.7	Very high	94.2	Very high	92 Å²	92	96.6 Å²	96.6	47%	0.472	47%	0.473	S	S	.	.	H	α-helix	trans	-63.5	-46	177.3	-68.3	169	0	0	0	110.5	V218 I219 Y224 Y225 V226	V218-I222 HydrophobicContact CG1-CD1 3.82Å; V218-I222 HydrophobicContact CG1-CG1 4.44Å; V218-I222 VanDerWaalsContact O-CG1 3.31Å; V218-I222 WeakPolarHBondContact O-CG1 3.43Å; V218-I222 PolarHBondContact O-N 3.28Å; I219-I222 PolarHBondContact O-N 2.96Å; I222-Y224 VanDerWaalsContact C-N 3.34Å; I222-Y224 PolarHBondContact O-N 3.34Å; I222-Y225 PolarHBondContact O-N 2.9Å; I222-V226 HydrophobicContact CG2-CG2 4.34Å; I222-V226 WeakPolarHBondContact O-CB 3.29Å; I222-V226 VanDerWaalsContact O-CG2 3.3Å; I222-V226 WeakPolarHBondContact O-CG2 3.42Å; I222-V226 PolarHBondContact O-N 3.18Å
223	V	96.1	Very high	93.7	Very high	81 Å²	81	92.3 Å²	92.3	49%	0.491	47%	0.466	S	S	.	.	H	α-helix	trans	-60.8	-45.2	177.5	171.3	0	0	0	0	110.6	I219 A220 V226 R227	I219-V223 HydrophobicContact CG2-CG2 4.36Å; I219-V223 WeakPolarHBondContact O-CB 3.43Å; I219-V223 VanDerWaalsContact O-CG2 3.29Å; I219-V223 WeakPolarHBondContact O-CG2 3.33Å; I219-V223 PolarHBondContact O-N 2.88Å; A220-V223 PolarHBondContact O-N 3.16Å; V223-V226 PolarHBondContact O-N 3Å; V223-R227 HydrophobicContact CG1-CG 4.31Å; V223-R227 WeakPolarHBondContact O-CB 3.41Å; V223-R227 WeakPolarHBondContact O-CG 3.03Å; V223-R227 PolarHBondContact O-N 3.13Å
224	Y	96.3	Very high	93.4	Very high	145 Å²	145	98.7 Å²	98.7	57%	0.569	48%	0.477	S	S	*	.	H	α-helix	trans	-57.5	-50.4	174.8	171	-96	0	0	0	111.5	A220 Y221 I222 V226 R227 H228	A220-Y224 VanDerWaalsContact O-CB 3.27Å; A220-Y224 WeakPolarHBondContact O-CB 3.26Å; A220-Y224 PolarHBondContact O-N 2.92Å; Y221-Y224 PolarHBondContact O-N 3.29Å; I222-Y224 VanDerWaalsContact C-N 3.34Å; I222-Y224 PolarHBondContact O-N 3.34Å; Y224-V226 PolarHBondContact O-N 2.9Å; Y224-R227 PolarHBondContact O-N 2.92Å; Y224-H228 VanDerWaalsContact O-CB 3.3Å; Y224-H228 WeakPolarHBondContact O-CB 3.1Å; Y224-H228 PolarHBondContact O-N 3.09Å
225	Y	95.5	Very high	92.8	Very high	123 Å²	123	98.7 Å²	98.7	48%	0.482	48%	0.477	S	S	.	.	H	α-helix	trans	-61.7	-42.9	-178.6	-176.3	-99.6	0	0	0	112.5	Y221 I222 H228 N229	Y221-Y225 VanDerWaalsContact O-CB 3.31Å; Y221-Y225 WeakPolarHBondContact O-CB 3.42Å; Y221-Y225 PolarHBondContact O-N 3.36Å; I222-Y225 PolarHBondContact O-N 2.9Å; Y225-H228 PolarHBondContact O-N 2.83Å; Y225-N229 WeakPolarHBondContact CE1-ND2 3.24Å; Y225-N229 WeakPolarHBondContact O-CB 3.07Å; Y225-N229 PolarHBondContact O-N 2.9Å; Y225-N229 PolarHBondContact OH-ND2 3.19Å
226	V	95.4	Very high	92.2	Very high	66 Å²	66	100 Å²	100	40%	0.4	48%	0.484	S	S	.	.	H	α-helix	trans	-65.3	-45.4	176.9	171.9	0	0	0	0	111.1	I222 V223 Y224 H228 N229 Q230	I222-V226 HydrophobicContact CG2-CG2 4.34Å; I222-V226 WeakPolarHBondContact O-CB 3.29Å; I222-V226 VanDerWaalsContact O-CG2 3.3Å; I222-V226 WeakPolarHBondContact O-CG2 3.42Å; I222-V226 PolarHBondContact O-N 3.18Å; V223-V226 PolarHBondContact O-N 3Å; Y224-V226 PolarHBondContact O-N 2.9Å; V226-H228 VanDerWaalsContact C-N 3.35Å; V226-H228 PolarHBondContact O-N 3.17Å; V226-N229 PolarHBondContact O-N 3.1Å; V226-Q230 HydrophobicContact CG1-CG 4.49Å; V226-Q230 WeakPolarHBondContact O-CB 3.49Å; V226-Q230 VanDerWaalsContact O-CG 3.31Å; V226-Q230 WeakPolarHBondContact O-CG 3.42Å; V226-Q230 PolarHBondContact O-N 3.42Å
227	R	92	Very high	91.5	Very high	158 Å²	158	101.9 Å²	101.9	60%	0.596	49%	0.486	S	S	*	.	H	α-helix	trans	-60.1	-46.4	177.2	-73.2	-72.4	-170.2	162.6	2.8	111.3	V223 Y224 Q230 E231	V223-R227 HydrophobicContact CG1-CG 4.31Å; V223-R227 WeakPolarHBondContact O-CB 3.41Å; V223-R227 WeakPolarHBondContact O-CG 3.03Å; V223-R227 PolarHBondContact O-N 3.13Å; Y224-R227 PolarHBondContact O-N 2.92Å; R227-Q230 PolarHBondContact O-N 3.33Å; R227-E231 WeakPolarHBondContact O-CG 3.48Å; R227-E231 PolarHBondContact O-N 2.93Å
228	H	92.2	Very high	90.8	Very high	68 Å²	68	101.5 Å²	101.5	32%	0.315	48%	0.482	S	S	.	.	H	α-helix	trans	-60.8	-47.6	179	-172.7	59.1	0	0	0	112.1	Y224 Y225 V226 Q230 E231 D232	Y224-H228 VanDerWaalsContact O-CB 3.3Å; Y224-H228 WeakPolarHBondContact O-CB 3.1Å; Y224-H228 PolarHBondContact O-N 3.09Å; Y225-H228 PolarHBondContact O-N 2.83Å; V226-H228 VanDerWaalsContact C-N 3.35Å; V226-H228 PolarHBondContact O-N 3.17Å; H228-Q230 VanDerWaalsContact C-N 3.33Å; H228-Q230 PolarHBondContact O-N 3.1Å; H228-E231 PolarHBondContact O-N 2.84Å; H228-D232 IonicContact NE2-OD2 3.83Å; H228-D232 PolarHBondContact O-N 2.91Å
229	N	90.6	Very high	89.9	Confident	67 Å²	67	106.9 Å²	106.9	36%	0.358	50%	0.499	S	S	.	.	H	α-helix	trans	-65.1	-34.6	177.1	-80.3	-21.8	0	0	0	113.1	Y225 V226 A233	Y225-N229 WeakPolarHBondContact CE1-ND2 3.24Å; Y225-N229 WeakPolarHBondContact O-CB 3.07Å; Y225-N229 PolarHBondContact O-N 2.9Å; Y225-N229 PolarHBondContact OH-ND2 3.19Å; V226-N229 PolarHBondContact O-N 3.1Å; N229-A233 WeakPolarHBondContact O-CB 3.27Å; N229-A233 PolarHBondContact O-N 2.75Å
230	Q	90.8	Very high	89	Confident	119 Å²	119	107.4 Å²	107.4	56%	0.556	50%	0.503	S	S	*	.	H	α-helix	trans	-66.3	-39.6	174.2	-76.9	-178	-18.4	0	0	112	V226 R227 H228 R234	V226-Q230 HydrophobicContact CG1-CG 4.49Å; V226-Q230 WeakPolarHBondContact O-CB 3.49Å; V226-Q230 VanDerWaalsContact O-CG 3.31Å; V226-Q230 WeakPolarHBondContact O-CG 3.42Å; V226-Q230 PolarHBondContact O-N 3.42Å; R227-Q230 PolarHBondContact O-N 3.33Å; H228-Q230 VanDerWaalsContact C-N 3.33Å; H228-Q230 PolarHBondContact O-N 3.1Å; Q230-R234 WeakPolarHBondContact O-CB 3.22Å; Q230-R234 PolarHBondContact O-N 2.81Å
231	E	88.9	Confident	88.1	Confident	110 Å²	110	112.2 Å²	112.2	51%	0.514	51%	0.512	S	S	.	.	H	α-helix	trans	-64.9	-42.7	175.6	-73.7	171.3	-171.5	0	0	111.6	R227 H228 R234 R235	R227-E231 WeakPolarHBondContact O-CG 3.48Å; R227-E231 PolarHBondContact O-N 2.93Å; H228-E231 PolarHBondContact O-N 2.84Å; E231-R234 PolarHBondContact O-N 2.99Å; E231-R235 WeakPolarHBondContact O-CG 3.41Å; E231-R235 PolarHBondContact O-N 2.89Å
232	D	84	Confident	87.1	Confident	45 Å²	45	109.9 Å²	109.9	24%	0.241	52%	0.516	C	S	.	.	H	α-helix	trans	-63.4	-48.6	176.1	-79.4	-0.9	0	0	0	112.1	H228 R234 R235 H236	H228-D232 IonicContact NE2-OD2 3.83Å; H228-D232 PolarHBondContact O-N 2.91Å; D232-R234 VanDerWaalsContact C-N 3.26Å; D232-R234 PolarHBondContact O-N 3.05Å; D232-R235 PolarHBondContact O-N 3.46Å; D232-R235 VanDerWaalsContact O-N 3.17Å; D232-R235 IonicContact OD1-CZ 3.43Å; D232-R235 IonicContact OD1-NE 3.61Å; D232-R235 IonicContact OD1-NH2 2.62Å; D232-R235 PolarHBondContact OD1-NH2 3.29Å; D232-H236 PolarHBondContact O-CD2 3.04Å; D232-H236 PolarHBondContact O-N 3.19Å
233	A	85.3	Confident	86.2	Confident	63 Å²	63	109.8 Å²	109.8	52%	0.521	52%	0.516	S	S	.	.	H	α-helix	trans	-59.3	-38.7	176.9	0	0	0	0	0	112.1	N229 H236 L237	N229-A233 WeakPolarHBondContact O-CB 3.27Å; N229-A233 PolarHBondContact O-N 2.75Å; A233-H236 PolarHBondContact O-N 3.11Å; A233-L237 PolarHBondContact O-N 3.06Å; A233-L237 VanDerWaalsContact O-N 3.08Å
234	R	87.3	Confident	84.9	Confident	176 Å²	176	111.7 Å²	111.7	66%	0.664	53%	0.53	S	S	*	.	H	α-helix	trans	-63.9	-45.3	176.1	-173.7	177.7	180	161.2	3.7	111.7	Q230 E231 D232 H236 L237 E238	Q230-R234 WeakPolarHBondContact O-CB 3.22Å; Q230-R234 PolarHBondContact O-N 2.81Å; E231-R234 PolarHBondContact O-N 2.99Å; D232-R234 VanDerWaalsContact C-N 3.26Å; D232-R234 PolarHBondContact O-N 3.05Å; R234-H236 PolarHBondContact O-N 2.63Å; R234-L237 PolarHBondContact O-N 3.1Å; R234-E238 IonicContact NE-OE1 2.81Å; R234-E238 PolarHBondContact NE-OE1 2.75Å; R234-E238 WeakPolarHBondContact O-CG 3.32Å; R234-E238 PolarHBondContact O-N 2.71Å
235	R	82.8	Confident	83.2	Confident	154 Å²	154	110.4 Å²	110.4	58%	0.581	54%	0.542	S	S	*	.	H	α-helix	trans	-61.1	-42.5	176.6	-74	-169.4	-76.6	173.9	-8.4	112.1	E231 D232 L237 E238 Y239	E231-R235 WeakPolarHBondContact O-CG 3.41Å; E231-R235 PolarHBondContact O-N 2.89Å; D232-R235 PolarHBondContact O-N 3.46Å; D232-R235 VanDerWaalsContact O-N 3.17Å; D232-R235 IonicContact OD1-CZ 3.43Å; D232-R235 IonicContact OD1-NE 3.61Å; D232-R235 IonicContact OD1-NH2 2.62Å; D232-R235 PolarHBondContact OD1-NH2 3.29Å; R235-L237 VanDerWaalsContact C-N 3.34Å; R235-L237 PolarHBondContact O-N 2.86Å; R235-E238 PolarHBondContact O-N 3.35Å; R235-Y239 PolarHBondContact O-N 3.05Å
236	H	83.2	Confident	81.6	Confident	127 Å²	127	108.9 Å²	108.9	59%	0.588	56%	0.555	S	S	*	*	H	α-helix	trans	-63	-39.3	176.2	-75.6	-66.8	0	0	0	112.7	D232 A233 R234 Y239 L240	D232-H236 PolarHBondContact O-CD2 3.04Å; D232-H236 PolarHBondContact O-N 3.19Å; A233-H236 PolarHBondContact O-N 3.11Å; R234-H236 PolarHBondContact O-N 2.63Å; H236-Y239 PolarHBondContact O-N 3.05Å; H236-L240 WeakPolarHBondContact O-CG 3.33Å; H236-L240 PolarHBondContact O-N 3.23Å
237	L	81.4	Confident	79.5	Confident	96 Å²	96	111.8 Å²	111.8	50%	0.503	58%	0.575	S	S	.	*	H	α-helix	trans	-67.1	-39.2	177.1	-161.2	105.9	0	0	0	112.1	A233 R234 R235 L240 K241	A233-L237 PolarHBondContact O-N 3.06Å; A233-L237 VanDerWaalsContact O-N 3.08Å; R234-L237 PolarHBondContact O-N 3.1Å; R235-L237 VanDerWaalsContact C-N 3.34Å; R235-L237 PolarHBondContact O-N 2.86Å; L237-L240 PolarHBondContact O-N 3.43Å; L237-K241 WeakPolarHBondContact O-CG 3.28Å; L237-K241 PolarHBondContact O-N 3.43Å
238	E	81.9	Confident	77.7	Confident	104 Å²	104	109 Å²	109	49%	0.486	59%	0.586	S	S	.	*	H	α-helix	trans	-65.8	-39.8	175.4	-73.1	173.9	-171.5	0	0	111.6	R234 R235 K241 S242	R234-E238 IonicContact NE-OE1 2.81Å; R234-E238 PolarHBondContact NE-OE1 2.75Å; R234-E238 WeakPolarHBondContact O-CG 3.32Å; R234-E238 PolarHBondContact O-N 2.71Å; R235-E238 PolarHBondContact O-N 3.35Å; E238-K241 PolarHBondContact O-N 3.26Å; E238-S242 PolarHBondContact O-N 3.38Å; E238-S242 VanDerWaalsContact O-N 3.16Å
239	Y	78.1	Confident	75.6	Confident	153 Å²	153	111 Å²	111	60%	0.6	61%	0.608	S	S	*	*	H	α-helix	trans	-59.8	-47.3	172.4	-175.7	-93.3	0	0	0	111.8	R235 H236 K241 S242	R235-Y239 PolarHBondContact O-N 3.05Å; H236-Y239 PolarHBondContact O-N 3.05Å; Y239-K241 VanDerWaalsContact C-N 3.3Å; Y239-K241 PolarHBondContact O-N 3.12Å; Y239-S242 PolarHBondContact O-N 2.82Å; Y239-S242 VanDerWaalsContact O-N 3.09Å; Y239-S242 PolarHBondContact O-OG 3.42Å
240	L	77	Confident	73.8	Confident	113 Å²	113	117.2 Å²	117.2	59%	0.592	63%	0.632	S	S	*	*	H	α-helix	trans	-61.8	-36	178.1	-72.5	171	0	0	0	112.8	H236 L237 S242 L243	H236-L240 WeakPolarHBondContact O-CG 3.33Å; H236-L240 PolarHBondContact O-N 3.23Å; L237-L240 PolarHBondContact O-N 3.43Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.79Å; L240-L243 HydrophobicContact CD2-CD1 3.99Å; L240-L243 PolarHBondContact O-N 3.02Å
241	K	77.8	Confident	71.8	Confident	161 Å²	161	118.9 Å²	118.9	70%	0.7	64%	0.644	S	S	*	*	H	α-helix	trans	-69.7	-25.3	175.5	-75.7	178.3	-179.5	176.9	0	113.7	L237 E238 Y239 L243	L237-K241 WeakPolarHBondContact O-CG 3.28Å; L237-K241 PolarHBondContact O-N 3.43Å; E238-K241 PolarHBondContact O-N 3.26Å; Y239-K241 VanDerWaalsContact C-N 3.3Å; Y239-K241 PolarHBondContact O-N 3.12Å; K241-L243 VanDerWaalsContact C-N 3.31Å
242	S	76.8	Confident	70.6	Confident	86 Å²	86	118.4 Å²	118.4	60%	0.601	65%	0.651	S	S	*	*	H	α-helix	trans	-80.7	-10.6	179.4	73.5	0	0	0	0	113.8	E238 Y239 L240	E238-S242 PolarHBondContact O-N 3.38Å; E238-S242 VanDerWaalsContact O-N 3.16Å; Y239-S242 PolarHBondContact O-N 2.82Å; Y239-S242 VanDerWaalsContact O-N 3.09Å; Y239-S242 PolarHBondContact O-OG 3.42Å; L240-S242 VanDerWaalsContact C-N 3.3Å; L240-S242 PolarHBondContact O-N 2.79Å
243	L	76.8	Confident	69.1	Low	90 Å²	90	124.2 Å²	124.2	47%	0.471	68%	0.68	S	S	.	*	S	Bend	trans	-69.9	136.1	177.6	-71.2	163.6	0	0	0	110.5	L240 K241 S245	L240-L243 HydrophobicContact CD2-CD1 3.99Å; L240-L243 PolarHBondContact O-N 3.02Å; K241-L243 VanDerWaalsContact C-N 3.31Å; L243-S245 PolarHBondContact O-N 3.08Å
244	P	68.1	Low	67.1	Low	122 Å²	122	124.6 Å²	124.6	79%	0.792	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-62.9	129.9	179.1	-13.3	25.5	0	0	0	110.6	A246	P244-A246 PolarHBondContact O-N 2.95Å
245	S	61.3	Low	66	Low	117 Å²	117	122.3 Å²	122.3	82%	0.818	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-67.7	121.3	172.3	40.8	0	0	0	0	110.1	L243	L243-S245 PolarHBondContact O-N 3.08Å
246	A	62.3	Low	64.2	Low	91 Å²	91	118.4 Å²	118.4	75%	0.752	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-64.3	141.5	176.1	0	0	0	0	0	110.8	P244 A248	P244-A246 PolarHBondContact O-N 2.95Å; A246-A248 PolarHBondContact O-N 3.12Å
247	P	50.8	Low	63.1	Low	127 Å²	127	122.2 Å²	122.2	83%	0.825	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-67.6	130	-178.5	26	-31.2	0	0	0	110.9	S249	P247-S249 PolarHBondContact O-N 2.8Å
248	A	54.5	Low	62.2	Low	100 Å²	100	123.5 Å²	123.5	83%	0.826	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-61.5	119.2	177.6	0	0	0	0	0	111	A246 K250	A246-A248 PolarHBondContact O-N 3.12Å; A248-K250 PolarHBondContact O-N 3.39Å; A248-K250 VanDerWaalsContact O-N 3.14Å
249	S	48.2	Very low	61.2	Low	111 Å²	111	124.5 Å²	124.5	78%	0.776	77%	0.768	S	S	*	*			trans	-68.9	106.5	170.1	57.8	0	0	0	0	109.3	P247 D251	P247-S249 PolarHBondContact O-N 2.8Å; S249-D251 PolarHBondContact O-N 3.5Å
250	K	52.3	Low	60.3	Low	197 Å²	197	122.9 Å²	122.9	86%	0.857	78%	0.777	S	S	*	*			trans	-70.8	116.2	159.7	-77.2	178.9	175.1	177.3	0	107.7	A248	A248-K250 PolarHBondContact O-N 3.39Å; A248-K250 VanDerWaalsContact O-N 3.14Å
251	D	50.3	Low	59.3	Low	153 Å²	153	123.5 Å²	123.5	82%	0.818	79%	0.788	S	S	*	*			trans	-112.2	129.5	155	-80.4	-34.8	0	0	0	109.6	S249	S249-D251 PolarHBondContact O-N 3.5Å
252	P	62.6	Low	58.1	Low	100 Å²	100	121.2 Å²	121.2	65%	0.649	79%	0.793	S	S	*	*			trans	-102.3	156.2	179.5	39.4	-32.8	0	0	0	112.6
253	I	52	Low	56.9	Low	167 Å²	167	123.5 Å²	123.5	86%	0.856	81%	0.806	S	S	*	*			trans	80.4	126.6	149.9	-59.7	147.2	0	0	0	118.6
254	G	43.5	Very low	55.4	Low	72 Å²	72	125.9 Å²	125.9	74%	0.742	83%	0.83	S	S	*	*			trans	167.5	106.8	148.7	0	0	0	0	0	113.6
255	P	65.3	Low	54.5	Low	128 Å²	128	126.2 Å²	126.2	83%	0.831	83%	0.833	S	S	*	*			trans	-96.3	145.1	-172.7	35.4	-30.4	0	0	0	114.5
256	G	44.8	Very low	53.9	Low	71 Å²	71	127 Å²	127	73%	0.732	83%	0.834	S	S	*	*			trans	76.5	175.4	147.7	0	0	0	0	0	118.4
257	P	60.3	Low	53.1	Low	207 Å²	207	130.3 Å²	130.3	100%	1.344	84%	0.842	S	S	*	*			cis	-96.9	0	-8.4	16.6	2.9	0	0	0	114.3

Retrieved 257 of 257 residues in 101.5 ms (Link to these results)

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