A0A087WXU9_HUMAN Loading...

Galactosylgalactosylxylosylprotein 3-beta-glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A087WXU9, Species HUMAN (Homo sapiens, Human), Gene B3GAT2, Length 251 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.3	Very low	33.2	Very low	231 Å²	231	171.3 Å²	171.3	100%	1.138	85%	0.852	S	S	*	*				0	108.3	0	-70.9	132.4	64.4	0	0	107.5
2	K	28.2	Very low	33.2	Very low	210 Å²	210	169.5 Å²	169.5	91%	0.913	85%	0.846	S	S	*	*				69.9	112.4	99.5	-76	-167.8	176.9	-177.6	0	114
3	S	33	Very low	33	Very low	104 Å²	104	168.4 Å²	168.4	73%	0.727	84%	0.844	S	S	*	*			trans	-50	149	167.4	171.1	0	0	0	0	114
4	A	29.3	Very low	33.4	Very low	106 Å²	106	161.4 Å²	161.4	88%	0.876	82%	0.816	S	S	*	*			trans	-141.5	133.9	144.2	0	0	0	0	0	109.1
5	L	33.5	Very low	33.9	Very low	136 Å²	136	161.5 Å²	161.5	71%	0.712	80%	0.803	S	S	*	*			trans	-124.1	151	-171.3	-107.3	170.7	0	0	0	109.8
6	F	34.5	Very low	34	Very low	178 Å²	178	158.9 Å²	158.9	78%	0.781	79%	0.791	S	S	*	*			trans	59.9	144.1	174.5	-70	-81	0	0	0	115.1
7	T	33.3	Very low	34	Very low	122 Å²	122	154.6 Å²	154.6	75%	0.748	77%	0.771	S	S	*	*				-164.1	164.8	52	-52.2	0	0	0	0	109.4
8	R	33	Very low	34.4	Very low	224 Å²	224	147.8 Å²	147.8	85%	0.845	74%	0.737	S	S	*	*			trans	85.2	89.2	174.2	-51	172.8	177.1	-168.1	-2.1	115.7
9	F	32.1	Very low	34.5	Very low	219 Å²	219	141.5 Å²	141.5	96%	0.961	71%	0.707	S	S	*	*			trans	-164.4	57.8	137.3	-98.5	-63.3	0	0	0	110.2
10	F	36.4	Very low	34.7	Very low	198 Å²	198	136 Å²	136	87%	0.868	68%	0.68	S	S	*	*			trans	-120.2	111	164.9	-92.7	-84.9	0	0	0	107.9
11	I	36.3	Very low	34.9	Very low	156 Å²	156	129.7 Å²	129.7	80%	0.8	65%	0.649	S	S	*	*			trans	171.7	133.5	155.2	-94.6	155.6	0	0	0	107.6
12	L	33.2	Very low	34.8	Very low	150 Å²	150	119.6 Å²	119.6	79%	0.785	60%	0.599	S	S	*	*	S	Bend	trans	67.8	119.1	179.8	-54.7	158.2	0	0	0	114.6
13	L	31.5	Very low	35.4	Very low	155 Å²	155	110 Å²	110	81%	0.812	56%	0.558	S	S	*	*			cis	-129.1	136.6	17.1	-66.5	160.1	0	0	0	110.3
14	P	38.6	Very low	35.4	Very low	71 Å²	71	109.2 Å²	109.2	46%	0.461	55%	0.545	S	S	.	.			trans	-68.1	-162.1	153.7	7.4	7.4	0	0	0	108.9
15	W	39.7	Very low	35.7	Very low	163 Å²	163	108.5 Å²	108.5	62%	0.617	53%	0.53	S	S	*	.			trans	68.8	97.6	170.7	-45.5	70.7	0	0	0	113.1	R230	W15-R230 VanDerWaalsContact CZ3-NH2 3.27Å
16	I	36.3	Very low	35.7	Very low	119 Å²	119	107.8 Å²	107.8	61%	0.61	53%	0.527	S	S	*	.			trans	169.5	114.4	140.2	-91	156.3	0	0	0	106.5	I18	I16-I18 HydrophobicContact CG2-CB 4.43Å; I16-I18 HydrophobicContact CG2-CD1 3.28Å; I16-I18 HydrophobicContact CG2-CG1 3.29Å
17	L	34	Very low	36.1	Very low	87 Å²	87	104.3 Å²	104.3	46%	0.455	52%	0.52	S	S	.	.			trans	-94.8	93.2	179.4	-177.1	78.4	0	0	0	108.1	V19 P87	L17-V19 PolarHBondContact O-N 3.25Å; L17-P87 WeakPolarHBondContact CD1-O 3.12Å
18	I	40.3	Very low	36.2	Very low	32 Å²	32	108.8 Å²	108.8	16%	0.164	52%	0.523	C	S	.	.			trans	-89.2	101.9	-172	-82.2	170.2	0	0	0	112.6	I16 I20 P87 M172	I16-I18 HydrophobicContact CG2-CB 4.43Å; I16-I18 HydrophobicContact CG2-CD1 3.28Å; I16-I18 HydrophobicContact CG2-CG1 3.29Å; I18-I20 HydrophobicContact CG2-CD1 3.54Å; I18-I20 HydrophobicContact CG2-CG1 3.57Å; I18-I20 PolarHBondContact O-N 3.43Å; I18-P87 WeakPolarHBondContact O-CD 3.47Å; I18-P87 WeakPolarHBondContact O-CG 3.33Å; I18-M172 HydrophobicContact CB-CE 4.39Å; I18-M172 HydrophobicContact CB-CG 4.09Å; I18-M172 HydrophobicContact CD1-CE 3.72Å; I18-M172 HydrophobicContact CG1-CB 4.37Å; I18-M172 HydrophobicContact CG1-CE 3.53Å; I18-M172 HydrophobicContact CG1-CG 3.93Å; I18-M172 HydrophobicContact CG1-SD 4.41Å; I18-M172 HydrophobicContact CG2-CE 4.05Å; I18-M172 HydrophobicContact CG2-CG 3.94Å; I18-M172 HydrophobicContact CG2-SD 4.17Å
19	V	37.2	Very low	36.5	Very low	27 Å²	27	108.9 Å²	108.9	16%	0.164	52%	0.523	C	S	.	.			trans	-95.6	86.9	175	179.4	0	0	0	0	110.3	L17 I21 I85 M172	L17-V19 PolarHBondContact O-N 3.25Å; V19-I21 HydrophobicContact CG1-CD1 3.39Å; V19-I21 HydrophobicContact CG1-CG1 3.76Å; V19-I85 VanDerWaalsContact CA-O 3.3Å; V19-I85 WeakPolarHBondContact CA-O 3.4Å; V19-I85 WeakPolarHBondContact CG1-O 3.45Å; V19-M172 VanDerWaalsContact O-O 3.13Å
20	I	38.6	Very low	36.9	Very low	32 Å²	32	104.5 Å²	104.5	16%	0.164	52%	0.517	C	S	.	.			trans	-83.9	144.8	167.4	-56.4	152.8	0	0	0	107	I18 I85 M172 F190 F204	I18-I20 HydrophobicContact CG2-CD1 3.54Å; I18-I20 HydrophobicContact CG2-CG1 3.57Å; I18-I20 PolarHBondContact O-N 3.43Å; I20-I85 HydrophobicContact CB-CD1 4.16Å; I20-I85 HydrophobicContact CG2-CD1 4.43Å; I20-I85 WeakPolarHBondContact O-CA 3.36Å; I20-I85 WeakPolarHBondContact O-CB 3.39Å; I20-I85 WeakPolarHBondContact O-CG1 3.3Å; I20-I85 PolarHBondContact O-N 3.14Å; I20-I85 VanDerWaalsContact O-N 3.15Å; I20-M172 HydrophobicContact CG1-SD 4.46Å; I20-F190 HydrophobicContact CD1-CD2 3.65Å; I20-F190 HydrophobicContact CD1-CE2 3.2Å; I20-F190 HydrophobicContact CD1-CZ 3.96Å; I20-F190 HydrophobicContact CG1-CD2 4.28Å; I20-F190 HydrophobicContact CG1-CE2 3.37Å; I20-F190 HydrophobicContact CG1-CZ 3.65Å; I20-F190 HydrophobicContact CG2-CE2 4.44Å; I20-F204 HydrophobicContact CG2-CZ 4.29Å
21	I	38.7	Very low	37.4	Very low	4 Å²	4	101.5 Å²	101.5	2%	0.021	52%	0.515	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150	176.3	-52.2	-176.3	0	0	0	111.4	V19 I82 A84 M126 A176 V177	V19-I21 HydrophobicContact CG1-CD1 3.39Å; V19-I21 HydrophobicContact CG1-CG1 3.76Å; I21-I82 HydrophobicContact CG2-CG2 4.27Å; I21-A84 HydrophobicContact CD1-CB 3.45Å; I21-A84 VanDerWaalsContact CD1-CB 3.45Å; I21-A84 HydrophobicContact CG1-CB 4.13Å; I21-A84 HydrophobicContact CG2-CB 4.48Å; I21-M126 HydrophobicContact CB-CE 4.42Å; I21-M126 HydrophobicContact CB-CG 4.39Å; I21-M126 HydrophobicContact CB-SD 3.99Å; I21-M126 HydrophobicContact CD1-CE 3.14Å; I21-M126 HydrophobicContact CD1-SD 3.39Å; I21-M126 WeakPolarHBondContact CD1-SD 3.37Å; I21-M126 HydrophobicContact CG1-CE 4.21Å; I21-M126 HydrophobicContact CG1-SD 4.16Å; I21-M126 HydrophobicContact CG2-CE 4.42Å; I21-M126 HydrophobicContact CG2-CG 3.72Å; I21-M126 HydrophobicContact CG2-SD 3.38Å; I21-M126 WeakPolarHBondContact CG2-SD 3.38Å; I21-A176 HydrophobicContact CB-CB 3.85Å; I21-A176 HydrophobicContact CG2-CB 4.37Å; I21-V177 CarbonylContact C-O 3.51Å; I21-V177 CarbonylContact O-C 3.53Å; I21-V177 WeakPolarHBondContact O-CA 3.37Å; I21-V177 VanDerWaalsContact O-CB 3.3Å; I21-V177 WeakPolarHBondContact O-CB 3.46Å; I21-V177 PolarHBondContact O-N 3.44Å
22	M	34.2	Very low	37.7	Very low	18 Å²	18	99 Å²	99	9%	0.089	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	125	-165.1	-59.5	-97.6	64.1	0	0	112.1	Y83 V177 S178 L179 I182	M22-Y83 WeakPolarHBondContact O-CD2 3.24Å; M22-V177 WeakPolarHBondContact CA-O 3.34Å; M22-V177 HydrophobicContact CE-CB 3.76Å; M22-V177 HydrophobicContact CE-CG1 3.64Å; M22-V177 PolarHBondContact N-O 3.15Å; M22-S178 VanDerWaalsContact CE-C 3.46Å; M22-S178 WeakPolarHBondContact CE-O 3.5Å; M22-L179 HydrophobicContact CB-CB 3.86Å; M22-L179 HydrophobicContact CB-CD1 3.98Å; M22-L179 HydrophobicContact CB-CD2 4.36Å; M22-L179 HydrophobicContact CB-CG 4.27Å; M22-L179 HydrophobicContact CG-CD1 4.31Å; M22-L179 HydrophobicContact SD-CD1 3.77Å; M22-I182 HydrophobicContact CE-CB 3.48Å; M22-I182 VanDerWaalsContact CE-CB 3.48Å; M22-I182 HydrophobicContact CE-CG1 3.26Å; M22-I182 HydrophobicContact CE-CG2 4.45Å; M22-I182 HydrophobicContact SD-CB 3.37Å; M22-I182 WeakPolarHBondContact SD-CB 3.48Å; M22-I182 HydrophobicContact SD-CG1 3.52Å; M22-I182 VanDerWaalsContact SD-CG1 3.52Å; M22-I182 HydrophobicContact SD-CG2 3.71Å
23	L	39	Very low	38.1	Very low	10 Å²	10	97.6 Å²	97.6	5%	0.052	51%	0.509	C	S	.	.			trans	-119.7	118.2	175.5	-54.2	169.6	0	0	0	115	I82 M126 T129 V177 S178 L179 Q180	L23-I82 HydrophobicContact CD2-CB 3.92Å; L23-I82 HydrophobicContact CD2-CG1 3.8Å; L23-I82 HydrophobicContact CD2-CG2 3.67Å; L23-M126 VanDerWaalsContact CD1-O 3.27Å; L23-M126 WeakPolarHBondContact CD1-O 3.25Å; L23-T129 VanDerWaalsContact CD1-O 3.23Å; L23-T129 WeakPolarHBondContact CD1-O 3.46Å; L23-V177 PolarHBondContact N-O 2.66Å; L23-S178 CarbonylContact O-C 3.53Å; L23-S178 WeakPolarHBondContact O-CB 3.42Å; L23-L179 WeakPolarHBondContact O-CA 3.31Å; L23-L179 WeakPolarHBondContact O-CB 3.47Å; L23-L179 PolarHBondContact O-N 3.23Å; L23-Q180 PolarHBondContact O-N 2.76Å
24	D	33.9	Very low	38.5	Very low	87 Å²	87	98.6 Å²	98.6	47%	0.465	51%	0.514	S	S	.	.			trans	-89.8	147.7	176.1	-161.2	19	0	0	0	112	L179	D24-L179 HydrophobicContact CB-CB 3.96Å; D24-L179 HydrophobicContact CB-CD2 3.97Å; D24-L179 HydrophobicContact CB-CG 4.1Å
25	V	35.9	Very low	38.7	Very low	91 Å²	91	100.9 Å²	100.9	55%	0.552	53%	0.527	S	S	*	.			trans	-136.8	112.7	174.2	175.6	0	0	0	0	107.4	T27	V25-T27 PolarHBondContact O-N 2.88Å
26	D	33.2	Very low	38.7	Very low	121 Å²	121	99.3 Å²	99.3	65%	0.647	54%	0.538	S	S	*	.			trans	-61.8	110.8	178.2	-174.4	-0.4	0	0	0	110.4	R28	D26-R28 PolarHBondContact O-N 2.82Å; D26-R28 WeakPolarHBondContact OD1-CB 3.19Å; D26-R28 WeakPolarHBondContact OD1-CG 3.24Å; D26-R28 PolarHBondContact OD1-N 3.05Å
27	T	42.4	Very low	38.7	Very low	104 Å²	104	104.6 Å²	104.6	64%	0.638	55%	0.55	S	S	*	.			trans	-79.6	3.7	-170	45.8	0	0	0	0	114.1	V25 R29	V25-T27 PolarHBondContact O-N 2.88Å; T27-R29 PolarHBondContact O-N 2.87Å
28	R	36.8	Very low	39.1	Very low	216 Å²	216	105.7 Å²	105.7	82%	0.815	56%	0.562	S	S	*	*			trans	-88.1	15.7	-165	-64.3	-175	-176.6	-170.8	5.2	116.9	D26	D26-R28 PolarHBondContact O-N 2.82Å; D26-R28 WeakPolarHBondContact OD1-CB 3.19Å; D26-R28 WeakPolarHBondContact OD1-CG 3.24Å; D26-R28 PolarHBondContact OD1-N 3.05Å
29	R	38.5	Very low	38.9	Very low	226 Å²	226	114.9 Å²	114.9	85%	0.853	60%	0.596	S	S	*	*			trans	-133.6	121.2	178.7	-63.2	-169.6	-174.9	-162.5	1.9	113.4	T27	T27-R29 PolarHBondContact O-N 2.87Å
30	P	41	Very low	38.9	Very low	127 Å²	127	122.5 Å²	122.5	83%	0.825	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-70.4	144	173.5	29.1	-33.3	0	0	0	111.5
31	V	45.8	Very low	39	Very low	135 Å²	135	125 Å²	125	82%	0.818	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-78.5	128.3	-179.1	179.9	0	0	0	0	110.2
32	P	43	Very low	39.1	Very low	104 Å²	104	129.9 Å²	129.9	68%	0.675	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-68.2	145.6	174	-18.6	31.8	0	0	0	112.1	L34	P32-L34 PolarHBondContact O-N 3.15Å
33	P	41.8	Very low	39.3	Very low	121 Å²	121	139.5 Å²	139.5	79%	0.786	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-62.7	135.1	176.3	-21.4	33.1	0	0	0	112.5	T35	P33-T35 PolarHBondContact O-N 3.46Å
34	L	39.2	Very low	39.3	Very low	175 Å²	175	143.2 Å²	143.2	92%	0.916	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-72.7	118.6	174.2	-69.6	169.1	0	0	0	110.3	P32	P32-L34 PolarHBondContact O-N 3.15Å
35	T	43.1	Very low	39.6	Very low	120 Å²	120	146 Å²	146	74%	0.736	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-101.4	138.7	165.2	44.5	0	0	0	0	109.9	P33 R37	P33-T35 PolarHBondContact O-N 3.46Å; T35-R37 PolarHBondContact O-N 2.81Å
36	P	40.4	Very low	39.4	Very low	130 Å²	130	145.1 Å²	145.1	84%	0.844	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-68.8	130.1	176.8	-15.7	29.9	0	0	0	110.9
37	R	36	Very low	39.5	Very low	230 Å²	230	151.3 Å²	151.3	87%	0.868	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-96	140.8	167.4	-87	-173.5	166.4	-170.7	-4.4	110.7	T35	T35-R37 PolarHBondContact O-N 2.81Å
38	P	42.4	Very low	39	Very low	110 Å²	110	150.6 Å²	150.6	71%	0.714	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-72.2	146.5	178.5	30.1	-34.7	0	0	0	111.9
39	Y	36.5	Very low	38.8	Very low	225 Å²	225	143.9 Å²	143.9	88%	0.882	80%	0.803	S	S	*	*			trans	-83	114.1	179.9	-160.7	-90.8	0	0	0	110.1
40	F	36.3	Very low	38.6	Very low	187 Å²	187	137.7 Å²	137.7	82%	0.82	80%	0.8	S	S	*	*			trans	-89.7	119.1	176.3	-111.8	-91.9	0	0	0	110.5
41	S	41.4	Very low	38.3	Very low	85 Å²	85	142.6 Å²	142.6	59%	0.594	80%	0.802	S	S	*	*			trans	-86.1	126.6	175.2	-176.4	0	0	0	0	110.7	Y43	S41-Y43 PolarHBondContact O-N 2.77Å
42	P	39.7	Very low	37.9	Very low	106 Å²	106	143.1 Å²	143.1	69%	0.688	80%	0.8	S	S	*	*			trans	-88.6	10.3	-170.1	34.3	-36.1	0	0	0	115.8
43	Y	38.3	Very low	38.1	Very low	220 Å²	220	142.9 Å²	142.9	86%	0.863	80%	0.798	S	S	*	*			trans	-119.4	81.1	-176.6	-62.8	-68.2	0	0	0	112.9	S41	S41-Y43 PolarHBondContact O-N 2.77Å
44	A	39.5	Very low	37.8	Very low	87 Å²	87	145 Å²	145	72%	0.719	80%	0.802	S	S	*	*			trans	-141.5	112.9	169.2	0	0	0	0	0	111.9
45	V	39.7	Very low	37.6	Very low	147 Å²	147	146.3 Å²	146.3	89%	0.891	80%	0.795	S	S	*	*			trans	69.3	121.5	158.1	-168.7	0	0	0	0	118.6
46	G	33.2	Very low	37.1	Very low	71 Å²	71	151 Å²	151	73%	0.732	80%	0.799	S	S	*	*			trans	-138.2	131.8	152.3	0	0	0	0	0	111
47	R	34.5	Very low	36.7	Very low	252 Å²	252	148.9 Å²	148.9	95%	0.951	80%	0.8	S	S	*	*			trans	-170.4	125.4	163.5	-114	-176.2	-175.5	-151.6	1.9	112.5
48	G	32.7	Very low	36.4	Very low	88 Å²	88	141.4 Å²	141.4	91%	0.907	80%	0.795	S	S	*	*			trans	74.3	150.9	165.5	0	0	0	0	0	116.9
49	G	32.3	Very low	36.6	Very low	75 Å²	75	142.7 Å²	142.7	77%	0.773	80%	0.803	S	S	*	*			cis	156	144.5	-5.6	0	0	0	0	0	112.6
50	A	34.5	Very low	36.6	Very low	97 Å²	97	136.6 Å²	136.6	80%	0.802	80%	0.8	S	S	*	*			trans	73.6	131.6	-177.4	0	0	0	0	0	116.4
51	R	33.1	Very low	36.7	Very low	230 Å²	230	137.6 Å²	137.6	87%	0.868	81%	0.807	S	S	*	*			cis	70.4	132.2	49.4	-69.4	-166.6	-175.5	-154.5	4.7	112.7
52	L	38.8	Very low	36.4	Very low	145 Å²	145	136.6 Å²	136.6	76%	0.759	81%	0.81	S	S	*	*			cis	-154.2	-149.8	1	-95.7	160.2	0	0	0	108.8
53	P	47.2	Very low	36.3	Very low	100 Å²	100	138.6 Å²	138.6	65%	0.649	82%	0.82	S	S	*	*				-132.5	177.7	-96.9	43.1	-24.2	0	0	0	118.4
54	L	34.7	Very low	36.3	Very low	164 Å²	164	136.9 Å²	136.9	86%	0.859	82%	0.82	S	S	*	*			trans	41.5	137.4	154.6	-84.8	91.6	0	0	0	121
55	R	34.9	Very low	36.4	Very low	204 Å²	204	142 Å²	142	77%	0.77	83%	0.826	S	S	*	*				175	150	68	-161.4	-175.8	-177.1	-163.3	3.4	112.9
56	R	33.1	Very low	36.2	Very low	219 Å²	219	144.8 Å²	144.8	83%	0.826	82%	0.82	S	S	*	*			trans	26.2	123.6	156.8	-75.6	-178.8	167.6	172.6	-5	122.1
57	G	30.9	Very low	36.7	Very low	84 Å²	84	148.4 Å²	148.4	87%	0.866	82%	0.823	S	S	*	*				105.1	113.2	101.8	0	0	0	0	0	119.4
58	G	31.3	Very low	37.1	Very low	74 Å²	74	142.8 Å²	142.8	76%	0.763	81%	0.807	S	S	*	*			trans	165.8	125.3	165.6	0	0	0	0	0	112.5
59	P	45.3	Very low	37.6	Very low	136 Å²	136	143.9 Å²	143.9	88%	0.883	80%	0.801	S	S	*	*			trans	-94.2	133.3	176.8	34.8	-30	0	0	0	111.5
60	A	36.1	Very low	38.1	Very low	98 Å²	98	150.7 Å²	150.7	81%	0.81	80%	0.804	S	S	*	*			trans	-149.2	134.7	165.1	0	0	0	0	0	110.3	G62	A60-G62 PolarHBondContact O-N 3.38Å
61	H	40.1	Very low	38.6	Very low	208 Å²	208	151.6 Å²	151.6	96%	0.963	80%	0.802	S	S	*	*			trans	-62.5	119.7	174.5	-86.9	-38.7	0	0	0	111
62	G	34.6	Very low	39	Very low	64 Å²	64	149 Å²	149	66%	0.66	80%	0.799	S	S	*	*			trans	-139.4	98.2	164.9	0	0	0	0	0	109.3	A60 Q64	A60-G62 PolarHBondContact O-N 3.38Å; G62-Q64 PolarHBondContact O-N 3.49Å
63	T	38.3	Very low	39.3	Very low	147 Å²	147	147.8 Å²	147.8	90%	0.902	80%	0.8	S	S	*	*			trans	-72.1	68.7	177.9	19.2	0	0	0	0	111.3	K65	T63-K65 PolarHBondContact O-N 3.14Å; T63-K65 VanDerWaalsContact O-N 3.15Å
64	Q	37.9	Very low	39.2	Very low	184 Å²	184	151.1 Å²	151.1	86%	0.86	81%	0.807	S	S	*	*			trans	-70.9	107.9	168.8	-77.8	-171.9	-15.5	0	0	109.7	G62 R66	G62-Q64 PolarHBondContact O-N 3.49Å; Q64-R66 VanDerWaalsContact C-N 3.34Å; Q64-R66 PolarHBondContact O-N 3.06Å
65	K	41.2	Very low	40.2	Very low	195 Å²	195	149 Å²	149	85%	0.848	80%	0.803	S	S	*	*			trans	-59.4	96.4	165.7	-74.1	-178.6	176.7	177.8	0	108.9	T63 N67	T63-K65 PolarHBondContact O-N 3.14Å; T63-K65 VanDerWaalsContact O-N 3.15Å; K65-N67 VanDerWaalsContact C-N 3.28Å; K65-N67 PolarHBondContact O-N 2.99Å
66	R	36.4	Very low	41.3	Very low	205 Å²	205	147.3 Å²	147.3	77%	0.774	80%	0.804	S	S	*	*			trans	-70.4	87	172.6	-169.4	179.8	177.6	-169.6	1.1	108.5	Q64 Q68	Q64-R66 VanDerWaalsContact C-N 3.34Å; Q64-R66 PolarHBondContact O-N 3.06Å; R66-Q68 HydrophobicContact CG-CG 3.96Å; R66-Q68 PolarHBondContact O-N 3.02Å
67	N	42.2	Very low	42.2	Very low	148 Å²	148	142.7 Å²	142.7	79%	0.791	80%	0.802	S	S	*	*			trans	-61.6	85.5	168.4	-86.5	-2.6	0	0	0	109.2	K65 S69	K65-N67 VanDerWaalsContact C-N 3.28Å; K65-N67 PolarHBondContact O-N 2.99Å; N67-S69 VanDerWaalsContact C-N 3.27Å; N67-S69 PolarHBondContact O-N 2.88Å
68	Q	44.5	Very low	43.5	Very low	133 Å²	133	147.6 Å²	147.6	62%	0.621	80%	0.803	S	S	*	*			trans	-76.9	84.3	166.7	-65.3	-170.3	13.9	0	0	108.2	R66 R70	R66-Q68 HydrophobicContact CG-CG 3.96Å; R66-Q68 PolarHBondContact O-N 3.02Å; Q68-R70 PolarHBondContact O-N 2.64Å
69	S	42.9	Very low	44.8	Very low	112 Å²	112	149 Å²	149	78%	0.783	79%	0.792	S	S	*	*			trans	-67.8	71.9	159.5	41.2	0	0	0	0	109.2	N67 P71	N67-S69 VanDerWaalsContact C-N 3.27Å; N67-S69 PolarHBondContact O-N 2.88Å; S69-P71 WeakPolarHBondContact O-CD 3.33Å
70	R	42.5	Very low	45.6	Very low	217 Å²	217	145.8 Å²	145.8	82%	0.819	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-55.7	120.3	166	-175.4	177.4	-174.4	177.4	1.9	106.5	Q68 Q72	Q68-R70 PolarHBondContact O-N 2.64Å; R70-Q72 PolarHBondContact O-N 3.36Å
71	P	44.4	Very low	46.7	Very low	117 Å²	117	143.1 Å²	143.1	76%	0.76	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-56.3	120.7	175.4	-23.5	33.9	0	0	0	108.1	S69	S69-P71 WeakPolarHBondContact O-CD 3.33Å
72	Q	41.8	Very low	47.7	Very low	174 Å²	174	133.2 Å²	133.2	81%	0.813	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-60.9	136.3	170	-71.5	-179.1	-17.8	0	0	107.3	R70 Q74	R70-Q72 PolarHBondContact O-N 3.36Å; Q72-Q74 PolarHBondContact O-N 3.28Å; Q72-Q74 VanDerWaalsContact O-N 3.14Å
73	P	45.2	Very low	48.8	Very low	121 Å²	121	133.1 Å²	133.1	79%	0.786	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-55.6	126	172.2	24.5	-32.2	0	0	0	107.5
74	Q	46	Very low	49.8	Very low	169 Å²	169	126.3 Å²	126.3	79%	0.79	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-57.8	134.1	174.1	-68.4	-177.2	-12.6	0	0	107.3	Q72 E76	Q72-Q74 PolarHBondContact O-N 3.28Å; Q72-Q74 VanDerWaalsContact O-N 3.14Å; Q74-E76 PolarHBondContact O-N 3.31Å
75	P	54.4	Low	50.9	Low	120 Å²	120	119.1 Å²	119.1	78%	0.779	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-59.1	117.7	176.8	24.6	-32.4	0	0	0	107.6
76	E	57.8	Low	51.8	Low	169 Å²	169	110.5 Å²	110.5	79%	0.79	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-56	140.5	176.9	-70.7	-157.8	162.6	0	0	109.2	Q74 Q78	Q74-E76 PolarHBondContact O-N 3.31Å; E76-Q78 PolarHBondContact O-N 2.86Å
77	P	53.1	Low	53	Low	122 Å²	122	102.2 Å²	102.2	79%	0.792	54%	0.542	S	S	*	.			trans	-60.5	106.6	-179.8	24.3	-32.9	0	0	0	109	L79	P77-L79 PolarHBondContact O-N 2.98Å
78	Q	57.8	Low	53.7	Low	187 Å²	187	95.9 Å²	95.9	87%	0.874	51%	0.508	S	S	*	.			trans	-61.2	110.9	-176.6	-67.2	-178.5	-1.8	0	0	108.8	E76	E76-Q78 PolarHBondContact O-N 2.86Å
79	L	59.4	Low	53.9	Low	103 Å²	103	95.6 Å²	95.6	54%	0.539	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-60.4	128.7	-179.3	-87	155.6	0	0	0	109.6	P77 T81 Q110	P77-L79 PolarHBondContact O-N 2.98Å; L79-T81 PolarHBondContact O-N 3.4Å; L79-Q110 HydrophobicContact CB-CB 4.36Å; L79-Q110 HydrophobicContact CB-CG 3.93Å
80	P	61.7	Low	54	Low	68 Å²	68	95.1 Å²	95.1	44%	0.442	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-59.3	125.7	-179.8	-24.4	32.9	0	0	0	111.6	R127	P80-R127 HydrophobicContact CB-CG 4.1Å; P80-R127 HydrophobicContact CG-CG 4.35Å; P80-R127 WeakPolarHBondContact O-CG 3.36Å; P80-R127 PolarHBondContact O-NH1 3.23Å
81	T	58.8	Low	54.8	Low	42 Å²	42	87.8 Å²	87.8	26%	0.258	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-67	129.4	169.4	-45.8	0	0	0	0	109.5	L79 Y83 Q110 H112	L79-T81 PolarHBondContact O-N 3.4Å; T81-Y83 HydrophobicContact CG2-CE1 4.17Å; T81-Y83 HydrophobicContact CG2-CE2 4.05Å; T81-Q110 WeakPolarHBondContact CA-O 3.32Å; T81-Q110 WeakPolarHBondContact CG2-O 3.39Å; T81-Q110 PolarHBondContact OG1-OE1 2.8Å; T81-H112 HydrophobicContact CG2-CB 3.67Å
82	I	60.8	Low	55	Low	1 Å²	1	85.8 Å²	85.8	1%	0.005	46%	0.458	C	S	.	.	B	Isolated β-bridge	trans	-108.3	150.8	174	-48.2	148.6	0	0	0	110.1	I21 L23 H112 E124 M126 R127	I21-I82 HydrophobicContact CG2-CG2 4.27Å; L23-I82 HydrophobicContact CD2-CB 3.92Å; L23-I82 HydrophobicContact CD2-CG1 3.8Å; L23-I82 HydrophobicContact CD2-CG2 3.67Å; I82-H112 PolarHBondContact O-N 2.91Å; I82-E124 WeakPolarHBondContact CA-OE1 3.39Å; I82-E124 HydrophobicContact CB-CB 3.61Å; I82-E124 HydrophobicContact CB-CG 3.67Å; I82-E124 WeakPolarHBondContact CB-OE1 3.38Å; I82-E124 HydrophobicContact CD1-CB 4.33Å; I82-E124 HydrophobicContact CD1-CG 3.46Å; I82-E124 VanDerWaalsContact CD1-CG 3.46Å; I82-E124 VanDerWaalsContact CD1-OE1 3.27Å; I82-E124 WeakPolarHBondContact CD1-OE1 3.33Å; I82-E124 HydrophobicContact CG1-CG 4.14Å; I82-E124 VanDerWaalsContact CG1-OE1 3.31Å; I82-E124 WeakPolarHBondContact CG1-OE1 3.33Å; I82-E124 HydrophobicContact CG2-CB 3.98Å; I82-E124 HydrophobicContact CG2-CG 4.32Å; I82-E124 PolarHBondContact N-OE1 2.85Å; I82-M126 HydrophobicContact CG2-CG 3.77Å; I82-M126 HydrophobicContact CG2-SD 3.57Å; I82-M126 VanDerWaalsContact CG2-SD 3.57Å; I82-R127 VanDerWaalsContact CD1-CA 3.5Å; I82-R127 HydrophobicContact CD1-CB 3.61Å; I82-R127 HydrophobicContact CD1-CG 3.69Å; I82-R127 HydrophobicContact CG1-CB 4.2Å; I82-R127 HydrophobicContact CG1-CG 3.98Å
83	Y	57.2	Low	55.8	Low	61 Å²	61	78.7 Å²	78.7	24%	0.239	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	64.5	-175.4	-54	-93.8	0	0	0	111.2	M22 T81 I85 H112 R122 S123	M22-Y83 WeakPolarHBondContact O-CD2 3.24Å; T81-Y83 HydrophobicContact CG2-CE1 4.17Å; T81-Y83 HydrophobicContact CG2-CE2 4.05Å; Y83-I85 PolarHBondContact O-N 3.11Å; Y83-H112 HydrophobicContact CD1-CB 3.56Å; Y83-H112 AromaticContact CD1-CD2 3.5Å; Y83-H112 VanDerWaalsContact CD1-CD2 3.5Å; Y83-H112 WeakPolarHBondContact CD1-CD2 3.31Å; Y83-H112 AromaticContact CD1-CG 3.57Å; Y83-H112 HydrophobicContact CE1-CB 3.6Å; Y83-H112 AromaticContact CE1-CD2 3.55Å; Y83-H112 AromaticContact CE1-CG 3.36Å; Y83-H112 AromaticContact CE1-ND1 3.93Å; Y83-H112 HydrophobicContact CG-CB 4.4Å; Y83-R122 PolarHBondContact O-NH2 3.1Å; Y83-S123 CarbonylContact C-O 3.46Å
84	A	60.5	Low	56	Low	5 Å²	5	74.1 Å²	74.1	4%	0.041	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	137.7	176.5	0	0	0	0	0	110.9	I21 R122 S123 M126	I21-A84 HydrophobicContact CD1-CB 3.45Å; I21-A84 VanDerWaalsContact CD1-CB 3.45Å; I21-A84 HydrophobicContact CG1-CB 4.13Å; I21-A84 HydrophobicContact CG2-CB 4.48Å; A84-R122 WeakPolarHBondContact O-CD 3.36Å; A84-R122 WeakPolarHBondContact O-CG 3.22Å; A84-R122 PolarHBondContact O-NE 3.34Å; A84-S123 WeakPolarHBondContact CB-OG 3.39Å; A84-S123 PolarHBondContact N-O 3.44Å; A84-S123 PolarHBondContact O-OG 2.93Å; A84-S123 VanDerWaalsContact O-OG 3.04Å; A84-M126 HydrophobicContact CB-SD 4.49Å
85	I	60.7	Low	56	Low	32 Å²	32	70 Å²	70	16%	0.164	37%	0.374	C	S	.	.			trans	-95.1	108.7	174.2	-51.7	-172.8	0	0	0	109.6	V19 I20 Y83 P87 V116	V19-I85 VanDerWaalsContact CA-O 3.3Å; V19-I85 WeakPolarHBondContact CA-O 3.4Å; V19-I85 WeakPolarHBondContact CG1-O 3.45Å; I20-I85 HydrophobicContact CB-CD1 4.16Å; I20-I85 HydrophobicContact CG2-CD1 4.43Å; I20-I85 WeakPolarHBondContact O-CA 3.36Å; I20-I85 WeakPolarHBondContact O-CB 3.39Å; I20-I85 WeakPolarHBondContact O-CG1 3.3Å; I20-I85 PolarHBondContact O-N 3.14Å; I20-I85 VanDerWaalsContact O-N 3.15Å; Y83-I85 PolarHBondContact O-N 3.11Å; I85-P87 WeakPolarHBondContact O-CD 3.34Å; I85-V116 HydrophobicContact CG2-CG2 3.71Å
86	T	60.8	Low	55.9	Low	15 Å²	15	67.1 Å²	67.1	9%	0.092	36%	0.361	C	S	.	.			trans	-103	110.7	165.9	-50.4	0	0	0	0	108	L101 L115 V116 S123	T86-L101 HydrophobicContact CG2-CD2 3.75Å; T86-L115 HydrophobicContact CG2-CD1 4.04Å; T86-L115 WeakPolarHBondContact O-CD1 3.34Å; T86-V116 PolarHBondContact O-N 2.94Å; T86-V116 VanDerWaalsContact O-N 3.16Å; T86-S123 PolarHBondContact OG1-OG 2.94Å
87	P	60.6	Low	56.1	Low	31 Å²	31	60.7 Å²	60.7	20%	0.201	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-84.1	147.2	165.8	34	-34.3	0	0	0	110.2	L17 I18 I85 V116	L17-P87 WeakPolarHBondContact CD1-O 3.12Å; I18-P87 WeakPolarHBondContact O-CD 3.47Å; I18-P87 WeakPolarHBondContact O-CG 3.33Å; I85-P87 WeakPolarHBondContact O-CD 3.34Å; P87-V116 CarbonylContact C-O 3.51Å; P87-V116 WeakPolarHBondContact CA-O 3.15Å; P87-V116 HydrophobicContact CB-CB 4.41Å
88	T	56.3	Low	56.1	Low	14 Å²	14	57 Å²	57	9%	0.086	30%	0.304	C	S	.	.			trans	-153	171.8	174.4	-167.1	0	0	0	0	111.3	R91 L98 L115 V116 E117	T88-R91 PolarHBondContact OG1-NH1 2.88Å; T88-L98 HydrophobicContact CG2-CD1 4.19Å; T88-L98 HydrophobicContact CG2-CD2 4.25Å; T88-L115 HydrophobicContact CG2-CD1 4.19Å; T88-L115 HydrophobicContact CG2-CD2 3.98Å; T88-L115 HydrophobicContact CG2-CG 4.22Å; T88-V116 PolarHBondContact N-O 3.39Å; T88-E117 HydrophobicContact CG2-CG 3.35Å; T88-E117 WeakPolarHBondContact O-CA 3.38Å
89	Y	49.2	Very low	55.8	Low	128 Å²	128	51.5 Å²	51.5	50%	0.502	28%	0.284	S	S	.	.			trans	-156	156.1	-177.4	67.6	-86.1	0	0	0	110.5	R91	Y89-R91 HydrophobicContact CE2-CB 4.32Å; Y89-R91 PolarHBondContact O-N 2.85Å; Y89-R91 PolarHBondContact O-NH1 3.32Å
90	S	45.4	Very low	56.1	Low	101 Å²	101	52.5 Å²	52.5	71%	0.706	28%	0.28	S	S	*	.			trans	-56.8	117.3	-176.5	-49.9	0	0	0	0	113.4	Q94	S90-Q94 VanDerWaalsContact CA-OE1 3.23Å
91	R	58	Low	56.2	Low	64 Å²	64	51.9 Å²	51.9	24%	0.242	27%	0.273	C	S	.	.			trans	-159.7	154.3	172.7	62.2	-172.3	-175.1	-77.3	3.1	109.7	T88 Y89 V93 Q94	T88-R91 PolarHBondContact OG1-NH1 2.88Å; Y89-R91 HydrophobicContact CE2-CB 4.32Å; Y89-R91 PolarHBondContact O-N 2.85Å; Y89-R91 PolarHBondContact O-NH1 3.32Å; R91-V93 HydrophobicContact CG-CG2 3.92Å; R91-V93 PolarHBondContact O-N 2.98Å; R91-Q94 HydrophobicContact CG-CB 4.15Å; R91-Q94 VanDerWaalsContact O-CB 3.22Å; R91-Q94 WeakPolarHBondContact O-CB 3.31Å; R91-Q94 PolarHBondContact O-N 2.81Å
92	P	49.1	Very low	56	Low	75 Å²	75	51.6 Å²	51.6	49%	0.487	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-14.8	-175	-27.5	35.7	0	0	0	116.5	V234	P92-V234 HydrophobicContact CB-CG2 4.06Å
93	V	58.2	Low	56	Low	24 Å²	24	55 Å²	55	15%	0.145	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-4.3	177.1	-57.1	0	0	0	0	113.2	R91 K95 A96 E97 T231 V234	R91-V93 HydrophobicContact CG-CG2 3.92Å; R91-V93 PolarHBondContact O-N 2.98Å; V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.5Å; V93-A96 PolarHBondContact O-N 3.41Å; V93-E97 HydrophobicContact CB-CG 4.35Å; V93-E97 HydrophobicContact CG2-CG 4.11Å; V93-E97 WeakPolarHBondContact O-CB 3.18Å; V93-E97 WeakPolarHBondContact O-CG 3.5Å; V93-E97 PolarHBondContact O-N 3.24Å; V93-T231 HydrophobicContact CB-CG2 4.07Å; V93-T231 HydrophobicContact CG1-CG2 3.75Å; V93-T231 HydrophobicContact CG2-CG2 4.17Å; V93-V234 HydrophobicContact CG1-CG2 3.38Å
94	Q	50.7	Low	56.3	Low	25 Å²	25	55.5 Å²	55.5	12%	0.117	30%	0.302	C	S	.	.	H	α-helix	trans	-56.8	-45.4	-174.4	179.2	-174.8	4.1	0	0	111.9	S90 R91 E97 L98 E117	S90-Q94 VanDerWaalsContact CA-OE1 3.23Å; R91-Q94 HydrophobicContact CG-CB 4.15Å; R91-Q94 VanDerWaalsContact O-CB 3.22Å; R91-Q94 WeakPolarHBondContact O-CB 3.31Å; R91-Q94 PolarHBondContact O-N 2.81Å; Q94-E97 WeakPolarHBondContact O-CB 3.33Å; Q94-E97 PolarHBondContact O-N 2.71Å; Q94-L98 HydrophobicContact CG-CD1 3.76Å; Q94-L98 HydrophobicContact CG-CG 4.25Å; Q94-L98 WeakPolarHBondContact O-CB 3.32Å; Q94-L98 VanDerWaalsContact O-CG 3.31Å; Q94-L98 WeakPolarHBondContact O-CG 3.27Å; Q94-L98 PolarHBondContact O-N 2.95Å; Q94-E117 PolarHBondContact NE2-OE2 2.58Å
95	K	45.5	Very low	56.8	Low	82 Å²	82	56.1 Å²	56.1	36%	0.357	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-43.9	-179	-170.8	173.7	178.2	170.2	0	111.9	V93 T99 E250 V251	V93-K95 VanDerWaalsContact C-N 3.34Å; V93-K95 PolarHBondContact O-N 3.5Å; K95-T99 WeakPolarHBondContact O-CB 3.27Å; K95-T99 PolarHBondContact O-N 2.7Å; K95-T99 PolarHBondContact O-OG1 2.81Å; K95-E250 VanDerWaalsContact CE-OE1 3.29Å; K95-E250 WeakPolarHBondContact CE-OE1 3.32Å; K95-E250 PolarHBondContact NZ-O 3.43Å; K95-E250 IonicContact NZ-OE1 2.68Å; K95-E250 PolarHBondContact NZ-OE1 3.26Å; K95-V251 WeakPolarHBondContact CB-OXT 3.39Å; K95-V251 WeakPolarHBondContact CD-OXT 3.23Å
96	A	51.5	Low	56.8	Low	61 Å²	61	63.6 Å²	63.6	50%	0.504	33%	0.331	S	S	.	.	H	α-helix	trans	-63.2	-45	174.8	0	0	0	0	0	112.2	V93 T99 R100	V93-A96 PolarHBondContact O-N 3.41Å; A96-T99 PolarHBondContact O-N 2.69Å; A96-R100 WeakPolarHBondContact O-CG 3.31Å; A96-R100 PolarHBondContact O-N 2.74Å
97	E	61.8	Low	57.3	Low	33 Å²	33	70.4 Å²	70.4	15%	0.154	36%	0.361	C	S	.	.	H	α-helix	trans	-57.6	-49.5	175.1	-69.4	-82.8	-164.5	0	0	112.1	V93 Q94 R100 L101 T231	V93-E97 HydrophobicContact CB-CG 4.35Å; V93-E97 HydrophobicContact CG2-CG 4.11Å; V93-E97 WeakPolarHBondContact O-CB 3.18Å; V93-E97 WeakPolarHBondContact O-CG 3.5Å; V93-E97 PolarHBondContact O-N 3.24Å; Q94-E97 WeakPolarHBondContact O-CB 3.33Å; Q94-E97 PolarHBondContact O-N 2.71Å; E97-R100 WeakPolarHBondContact O-CG 3.27Å; E97-R100 IonicContact OE1-NH2 3.87Å; E97-R100 PolarHBondContact OE1-NH2 2.66Å; E97-R100 VanDerWaalsContact OE1-NH2 3.15Å; E97-R100 IonicContact OE2-CZ 2.79Å; E97-R100 VanDerWaalsContact OE2-CZ 3.26Å; E97-R100 IonicContact OE2-NE 3.67Å; E97-R100 PolarHBondContact OE2-NE 2.96Å; E97-R100 VanDerWaalsContact OE2-NE 3.08Å; E97-R100 IonicContact OE2-NH2 2.61Å; E97-R100 PolarHBondContact OE2-NH2 2.66Å; E97-L101 WeakPolarHBondContact O-CB 3.25Å; E97-L101 PolarHBondContact O-N 3.02Å; E97-T231 WeakPolarHBondContact OE1-CB 3.46Å; E97-T231 PolarHBondContact OE1-OG1 3.33Å
98	L	53.1	Low	57.5	Low	44 Å²	44	71.1 Å²	71.1	23%	0.23	37%	0.365	C	S	.	.	H	α-helix	trans	-71.4	-34.3	179.5	-67.5	177.9	0	0	0	111.9	T88 Q94 L101 A102 L115	T88-L98 HydrophobicContact CG2-CD1 4.19Å; T88-L98 HydrophobicContact CG2-CD2 4.25Å; Q94-L98 HydrophobicContact CG-CD1 3.76Å; Q94-L98 HydrophobicContact CG-CG 4.25Å; Q94-L98 WeakPolarHBondContact O-CB 3.32Å; Q94-L98 VanDerWaalsContact O-CG 3.31Å; Q94-L98 WeakPolarHBondContact O-CG 3.27Å; Q94-L98 PolarHBondContact O-N 2.95Å; L98-L101 PolarHBondContact O-N 3.18Å; L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 2.8Å; L98-L115 HydrophobicContact CD1-CD2 4.43Å; L98-L115 HydrophobicContact CD2-CD1 4.19Å
99	T	51.7	Low	58	Low	73 Å²	73	73.9 Å²	73.9	45%	0.448	39%	0.389	S	S	.	.	H	α-helix	trans	-67	-43.9	177.9	-61.6	0	0	0	0	111.8	K95 A96 L101 N103	K95-T99 WeakPolarHBondContact O-CB 3.27Å; K95-T99 PolarHBondContact O-N 2.7Å; K95-T99 PolarHBondContact O-OG1 2.81Å; A96-T99 PolarHBondContact O-N 2.69Å; T99-L101 VanDerWaalsContact C-N 3.3Å; T99-L101 PolarHBondContact O-N 3.37Å; T99-N103 WeakPolarHBondContact O-CB 3.38Å; T99-N103 PolarHBondContact O-N 3.14Å; T99-N103 VanDerWaalsContact O-N 3.09Å; T99-N103 PolarHBondContact O-ND2 2.97Å
100	R	66.3	Low	58.9	Low	124 Å²	124	72.7 Å²	72.7	47%	0.468	39%	0.388	S	S	.	.	H	α-helix	trans	-64.1	-39.1	174.5	64.4	-178.2	170.4	-164.2	2.2	111.6	A96 E97 T104 T231	A96-R100 WeakPolarHBondContact O-CG 3.31Å; A96-R100 PolarHBondContact O-N 2.74Å; E97-R100 WeakPolarHBondContact O-CG 3.27Å; E97-R100 IonicContact OE1-NH2 3.87Å; E97-R100 PolarHBondContact OE1-NH2 2.66Å; E97-R100 VanDerWaalsContact OE1-NH2 3.15Å; E97-R100 IonicContact OE2-CZ 2.79Å; E97-R100 VanDerWaalsContact OE2-CZ 3.26Å; E97-R100 IonicContact OE2-NE 3.67Å; E97-R100 PolarHBondContact OE2-NE 2.96Å; E97-R100 VanDerWaalsContact OE2-NE 3.08Å; E97-R100 IonicContact OE2-NH2 2.61Å; E97-R100 PolarHBondContact OE2-NH2 2.66Å; R100-T104 PolarHBondContact O-N 2.72Å; R100-T104 PolarHBondContact O-OG1 3.33Å; R100-T231 PolarHBondContact NH2-OG1 3.35Å
101	L	64.4	Low	59.5	Low	55 Å²	55	69.9 Å²	69.9	29%	0.288	37%	0.365	S	S	.	.	H	α-helix	trans	-71.8	-42.1	-178.7	-172	63.9	0	0	0	112.6	T86 E97 L98 T99 T104 F105	T86-L101 HydrophobicContact CG2-CD2 3.75Å; E97-L101 WeakPolarHBondContact O-CB 3.25Å; E97-L101 PolarHBondContact O-N 3.02Å; L98-L101 PolarHBondContact O-N 3.18Å; T99-L101 VanDerWaalsContact C-N 3.3Å; T99-L101 PolarHBondContact O-N 3.37Å; L101-T104 WeakPolarHBondContact O-CB 3.35Å; L101-T104 PolarHBondContact O-N 3.24Å; L101-F105 HydrophobicContact CB-CE2 4.49Å; L101-F105 HydrophobicContact CD1-CD2 4.39Å; L101-F105 HydrophobicContact CD1-CE1 4.27Å; L101-F105 HydrophobicContact CD1-CE2 3.55Å; L101-F105 HydrophobicContact CD1-CZ 3.45Å; L101-F105 VanDerWaalsContact CD1-CZ 3.45Å; L101-F105 HydrophobicContact CD2-CE2 3.71Å; L101-F105 HydrophobicContact CD2-CZ 4.24Å; L101-F105 HydrophobicContact CG-CD2 3.92Å; L101-F105 HydrophobicContact CG-CE2 3.25Å; L101-F105 HydrophobicContact CG-CZ 3.75Å; L101-F105 VanDerWaalsContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.38Å; L101-F105 WeakPolarHBondContact O-CG 3.23Å; L101-F105 PolarHBondContact O-N 2.73Å
102	A	53.6	Low	59.5	Low	36 Å²	36	70.3 Å²	70.3	30%	0.298	37%	0.37	S	S	.	.	H	α-helix	trans	-64.8	-37.6	175.3	0	0	0	0	0	112.4	L98 T104 F105 R106	L98-A102 WeakPolarHBondContact O-CB 3.44Å; L98-A102 PolarHBondContact O-N 2.8Å; A102-T104 VanDerWaalsContact C-N 3.3Å; A102-T104 PolarHBondContact O-N 2.75Å; A102-F105 PolarHBondContact O-N 3.38Å; A102-R106 WeakPolarHBondContact O-CB 3.28Å; A102-R106 PolarHBondContact O-N 3.07Å
103	N	60.6	Low	60	Low	73 Å²	73	73.1 Å²	73.1	39%	0.39	37%	0.371	S	S	.	.	H	α-helix	trans	-62.7	-36.7	174.1	-86.8	-56.2	0	0	0	112.7	T99 R106	T99-N103 WeakPolarHBondContact O-CB 3.38Å; T99-N103 PolarHBondContact O-N 3.14Å; T99-N103 VanDerWaalsContact O-N 3.09Å; T99-N103 PolarHBondContact O-ND2 2.97Å; N103-R106 PolarHBondContact OD1-NH2 2.95Å
104	T	65.3	Low	59.9	Low	70 Å²	70	75.8 Å²	75.8	43%	0.429	38%	0.383	S	S	.	.	H	α-helix	trans	-65.4	-49.1	170.6	-53.6	0	0	0	0	110.9	R100 L101 A102 R106 Q107	R100-T104 PolarHBondContact O-N 2.72Å; R100-T104 PolarHBondContact O-OG1 3.33Å; L101-T104 WeakPolarHBondContact O-CB 3.35Å; L101-T104 PolarHBondContact O-N 3.24Å; A102-T104 VanDerWaalsContact C-N 3.3Å; A102-T104 PolarHBondContact O-N 2.75Å; T104-R106 VanDerWaalsContact C-N 3.34Å; T104-R106 PolarHBondContact O-N 3.06Å; T104-Q107 WeakPolarHBondContact O-CB 3.3Å; T104-Q107 PolarHBondContact O-N 3.24Å; T104-Q107 VanDerWaalsContact O-N 3.14Å
105	F	70.8	Confident	59.7	Low	19 Å²	19	75.2 Å²	75.2	8%	0.083	38%	0.381	C	S	.	.	H	α-helix	trans	-64.5	-33	-178	-69.4	-31.4	0	0	0	114	L101 A102 Q107 V108 L111	L101-F105 HydrophobicContact CB-CE2 4.49Å; L101-F105 HydrophobicContact CD1-CD2 4.39Å; L101-F105 HydrophobicContact CD1-CE1 4.27Å; L101-F105 HydrophobicContact CD1-CE2 3.55Å; L101-F105 HydrophobicContact CD1-CZ 3.45Å; L101-F105 VanDerWaalsContact CD1-CZ 3.45Å; L101-F105 HydrophobicContact CD2-CE2 3.71Å; L101-F105 HydrophobicContact CD2-CZ 4.24Å; L101-F105 HydrophobicContact CG-CD2 3.92Å; L101-F105 HydrophobicContact CG-CE2 3.25Å; L101-F105 HydrophobicContact CG-CZ 3.75Å; L101-F105 VanDerWaalsContact O-CD2 3.29Å; L101-F105 WeakPolarHBondContact O-CD2 3.38Å; L101-F105 WeakPolarHBondContact O-CG 3.23Å; L101-F105 PolarHBondContact O-N 2.73Å; A102-F105 PolarHBondContact O-N 3.38Å; F105-Q107 PolarHBondContact O-N 2.8Å; F105-V108 WeakPolarHBondContact O-CB 3.5Å; F105-V108 PolarHBondContact O-N 2.82Å; F105-L111 HydrophobicContact CB-CD1 3.48Å; F105-L111 VanDerWaalsContact CB-CD1 3.48Å; F105-L111 HydrophobicContact CB-CD2 4.05Å; F105-L111 HydrophobicContact CB-CG 4.46Å; F105-L111 HydrophobicContact CD1-CD1 3.87Å; F105-L111 HydrophobicContact CG-CD1 3.83Å; F105-L111 WeakPolarHBondContact O-CD1 3.49Å
106	R	60.4	Low	59.9	Low	189 Å²	189	74.4 Å²	74.4	71%	0.713	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.7	174.1	-175.6	170.6	58.7	84.3	-0.8	113.9	A102 N103 T104 V108	A102-R106 WeakPolarHBondContact O-CB 3.28Å; A102-R106 PolarHBondContact O-N 3.07Å; N103-R106 PolarHBondContact OD1-NH2 2.95Å; T104-R106 VanDerWaalsContact C-N 3.34Å; T104-R106 PolarHBondContact O-N 3.06Å; R106-V108 VanDerWaalsContact C-N 3.3Å
107	Q	70.3	Confident	59.2	Low	157 Å²	157	74.7 Å²	74.7	73%	0.734	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-3.4	178.2	-57.4	173.6	-38.5	0	0	113.2	T104 F105	T104-Q107 WeakPolarHBondContact O-CB 3.3Å; T104-Q107 PolarHBondContact O-N 3.24Å; T104-Q107 VanDerWaalsContact O-N 3.14Å; F105-Q107 PolarHBondContact O-N 2.8Å
108	V	64.8	Low	58.7	Low	47 Å²	47	81.5 Å²	81.5	29%	0.285	41%	0.411	S	S	.	.	S	Bend	trans	-116.4	116	-167.4	-160.8	0	0	0	0	109.4	F105 R106 L111 E124 R127	F105-V108 WeakPolarHBondContact O-CB 3.5Å; F105-V108 PolarHBondContact O-N 2.82Å; R106-V108 VanDerWaalsContact C-N 3.3Å; V108-L111 HydrophobicContact CB-CD1 4.03Å; V108-L111 WeakPolarHBondContact O-CB 3.23Å; V108-E124 HydrophobicContact CB-CG 4.48Å; V108-E124 HydrophobicContact CG1-CG 3.78Å; V108-E124 WeakPolarHBondContact CG1-OE2 3.46Å; V108-R127 VanDerWaalsContact CG1-NH2 3.34Å
109	A	67.8	Low	58.1	Low	72 Å²	72	82.5 Å²	82.5	60%	0.595	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	140.3	-172.7	0	0	0	0	0	112.3	R127	A109-R127 PolarHBondContact O-NH1 2.79Å; A109-R127 VanDerWaalsContact O-NH1 3.14Å; A109-R127 PolarHBondContact O-NH2 3.31Å
110	Q	68.4	Low	57.3	Low	102 Å²	102	82.4 Å²	82.4	48%	0.477	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.3	24.2	-168.3	-84.7	-72.1	-31.5	0	0	116	L79 T81 E124	L79-Q110 HydrophobicContact CB-CB 4.36Å; L79-Q110 HydrophobicContact CB-CG 3.93Å; T81-Q110 WeakPolarHBondContact CA-O 3.32Å; T81-Q110 WeakPolarHBondContact CG2-O 3.39Å; T81-Q110 PolarHBondContact OG1-OE1 2.8Å; Q110-E124 VanDerWaalsContact C-OE1 3.29Å; Q110-E124 VanDerWaalsContact C-OE2 3.28Å
111	L	56.8	Low	55.9	Low	42 Å²	42	78.7 Å²	78.7	22%	0.22	43%	0.428	C	S	.	.	B	Isolated β-bridge	trans	-81.2	126.2	-176.7	-179.2	128.6	0	0	0	114.8	F105 V108 W113 E124	F105-L111 HydrophobicContact CB-CD1 3.48Å; F105-L111 VanDerWaalsContact CB-CD1 3.48Å; F105-L111 HydrophobicContact CB-CD2 4.05Å; F105-L111 HydrophobicContact CB-CG 4.46Å; F105-L111 HydrophobicContact CD1-CD1 3.87Å; F105-L111 HydrophobicContact CG-CD1 3.83Å; F105-L111 WeakPolarHBondContact O-CD1 3.49Å; V108-L111 HydrophobicContact CB-CD1 4.03Å; V108-L111 WeakPolarHBondContact O-CB 3.23Å; L111-W113 VanDerWaalsContact CD2-NE1 3.26Å; L111-E124 WeakPolarHBondContact CA-OE2 3.32Å; L111-E124 HydrophobicContact CB-CB 4Å; L111-E124 HydrophobicContact CB-CG 4.01Å; L111-E124 VanDerWaalsContact CB-OE2 3.27Å; L111-E124 WeakPolarHBondContact CB-OE2 3.4Å; L111-E124 HydrophobicContact CD1-CB 3.47Å; L111-E124 VanDerWaalsContact CD1-CB 3.47Å; L111-E124 HydrophobicContact CD1-CG 3.72Å; L111-E124 HydrophobicContact CG-CB 3.65Å; L111-E124 HydrophobicContact CG-CG 4.1Å; L111-E124 PolarHBondContact N-OE2 3.43Å
112	H	58.2	Low	54.5	Low	73 Å²	73	77.3 Å²	77.3	34%	0.338	42%	0.419	S	S	.	.			trans	-112	144.6	-177.8	-169.1	96.9	0	0	0	117.3	T81 I82 Y83 S123	T81-H112 HydrophobicContact CG2-CB 3.67Å; I82-H112 PolarHBondContact O-N 2.91Å; Y83-H112 HydrophobicContact CD1-CB 3.56Å; Y83-H112 AromaticContact CD1-CD2 3.5Å; Y83-H112 VanDerWaalsContact CD1-CD2 3.5Å; Y83-H112 WeakPolarHBondContact CD1-CD2 3.31Å; Y83-H112 AromaticContact CD1-CG 3.57Å; Y83-H112 HydrophobicContact CE1-CB 3.6Å; Y83-H112 AromaticContact CE1-CD2 3.55Å; Y83-H112 AromaticContact CE1-CG 3.36Å; Y83-H112 AromaticContact CE1-ND1 3.93Å; Y83-H112 HydrophobicContact CG-CB 4.4Å; H112-S123 PolarHBondContact O-N 3.32Å
113	W	59.2	Low	53.5	Low	135 Å²	135	75.6 Å²	75.6	51%	0.511	41%	0.405	S	S	.	.			trans	-113.8	113.4	-171.7	-83.8	41.2	0	0	0	118.6	L111 A121 R122	L111-W113 VanDerWaalsContact CD2-NE1 3.26Å; W113-A121 HydrophobicContact CE3-CB 3.8Å; W113-A121 HydrophobicContact CZ3-CB 4.31Å; W113-R122 VanDerWaalsContact CG-N 3.35Å; W113-R122 PolarHBondContact NE1-O 3.36Å
114	I	57.7	Low	52.7	Low	79 Å²	79	72.1 Å²	72.1	41%	0.405	39%	0.386	S	S	.	.			trans	-147.8	51.1	163.6	-18.5	168.5	0	0	0	116.6	A120 R122	I114-A120 HydrophobicContact CG2-CB 4.31Å; I114-R122 VanDerWaalsContact C-CD 3.5Å; I114-R122 VanDerWaalsContact O-CD 3.29Å; I114-R122 WeakPolarHBondContact O-CD 3.06Å; I114-R122 PolarHBondContact O-NH1 3.25Å
115	L	45.4	Very low	51.5	Low	13 Å²	13	73.8 Å²	73.8	7%	0.068	39%	0.392	C	S	.	.			trans	-55.3	129.6	-168.3	172.4	92.1	0	0	0	113.3	T86 T88 L98 E117 A119 A120 A121 R122	T86-L115 HydrophobicContact CG2-CD1 4.04Å; T86-L115 WeakPolarHBondContact O-CD1 3.34Å; T88-L115 HydrophobicContact CG2-CD1 4.19Å; T88-L115 HydrophobicContact CG2-CD2 3.98Å; T88-L115 HydrophobicContact CG2-CG 4.22Å; L98-L115 HydrophobicContact CD1-CD2 4.43Å; L98-L115 HydrophobicContact CD2-CD1 4.19Å; L115-E117 HydrophobicContact CD2-CG 3.77Å; L115-E117 HydrophobicContact CG-CG 4.37Å; L115-E117 PolarHBondContact O-N 2.94Å; L115-A119 CarbonylContact O-C 3.31Å; L115-A119 VanDerWaalsContact O-C 3.31Å; L115-A120 CarbonylContact O-C 3.48Å; L115-A120 WeakPolarHBondContact O-CA 3.36Å; L115-A120 PolarHBondContact O-N 3.17Å; L115-A121 WeakPolarHBondContact CB-O 3.44Å; L115-A121 PolarHBondContact O-N 3.14Å; L115-R122 VanDerWaalsContact CA-CD 3.41Å; L115-R122 HydrophobicContact CB-CB 4.07Å; L115-R122 HydrophobicContact CB-CG 4Å; L115-R122 HydrophobicContact CD1-CG 4.46Å
116	V	50.1	Low	50.4	Low	66 Å²	66	73.4 Å²	73.4	40%	0.4	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-92	68.6	-175	-162	0	0	0	0	108.6	I85 T86 P87 T88	I85-V116 HydrophobicContact CG2-CG2 3.71Å; T86-V116 PolarHBondContact O-N 2.94Å; T86-V116 VanDerWaalsContact O-N 3.16Å; P87-V116 CarbonylContact C-O 3.51Å; P87-V116 WeakPolarHBondContact CA-O 3.15Å; P87-V116 HydrophobicContact CB-CB 4.41Å; T88-V116 PolarHBondContact N-O 3.39Å
117	E	36.6	Very low	49.8	Very low	67 Å²	67	67.1 Å²	67.1	31%	0.313	37%	0.367	S	S	.	.	S	Bend	trans	-59.8	-175.4	146.4	-82.5	-171.1	-94.8	0	0	109.3	T88 Q94 L115 A119	T88-E117 HydrophobicContact CG2-CG 3.35Å; T88-E117 WeakPolarHBondContact O-CA 3.38Å; Q94-E117 PolarHBondContact NE2-OE2 2.58Å; L115-E117 HydrophobicContact CD2-CG 3.77Å; L115-E117 HydrophobicContact CG-CG 4.37Å; L115-E117 PolarHBondContact O-N 2.94Å; E117-A119 HydrophobicContact CB-CB 3.84Å; E117-A119 PolarHBondContact N-O 3.31Å; E117-A119 PolarHBondContact O-N 3.34Å
118	D	50.4	Low	49.1	Very low	176 Å²	176	64.3 Å²	64.3	94%	0.941	36%	0.36	S	S	*	.	S	Bend	trans	-68.1	57.4	140.3	-157.2	-0.5	0	0	0	109.1
119	A	41.3	Very low	48.9	Very low	64 Å²	64	62.6 Å²	62.6	53%	0.529	35%	0.35	S	S	.	.	S	Bend	trans	169.4	-166.4	-177	0	0	0	0	0	109.9	L115 E117	L115-A119 CarbonylContact O-C 3.31Å; L115-A119 VanDerWaalsContact O-C 3.31Å; E117-A119 HydrophobicContact CB-CB 3.84Å; E117-A119 PolarHBondContact N-O 3.31Å; E117-A119 PolarHBondContact O-N 3.34Å
120	A	34.3	Very low	49.1	Very low	72 Å²	72	68.8 Å²	68.8	60%	0.595	36%	0.358	S	S	*	.	B	Isolated β-bridge	trans	-147	66	-154.6	0	0	0	0	0	122.9	I114 L115	I114-A120 HydrophobicContact CG2-CB 4.31Å; L115-A120 CarbonylContact O-C 3.48Å; L115-A120 WeakPolarHBondContact O-CA 3.36Å; L115-A120 PolarHBondContact O-N 3.17Å
121	A	37.8	Very low	49.7	Very low	45 Å²	45	67.8 Å²	67.8	37%	0.372	35%	0.352	S	S	.	.			trans	-153.6	106.1	170.5	0	0	0	0	0	123.7	W113 L115	W113-A121 HydrophobicContact CE3-CB 3.8Å; W113-A121 HydrophobicContact CZ3-CB 4.31Å; L115-A121 WeakPolarHBondContact CB-O 3.44Å; L115-A121 PolarHBondContact O-N 3.14Å
122	R	34.8	Very low	50.9	Low	27 Å²	27	65.8 Å²	65.8	10%	0.102	34%	0.341	C	S	.	.			trans	-110	-121.6	-146.4	-128.5	150.6	62.2	-155.8	9	127.8	Y83 A84 W113 I114 L115	Y83-R122 PolarHBondContact O-NH2 3.1Å; A84-R122 WeakPolarHBondContact O-CD 3.36Å; A84-R122 WeakPolarHBondContact O-CG 3.22Å; A84-R122 PolarHBondContact O-NE 3.34Å; W113-R122 VanDerWaalsContact CG-N 3.35Å; W113-R122 PolarHBondContact NE1-O 3.36Å; I114-R122 VanDerWaalsContact C-CD 3.5Å; I114-R122 VanDerWaalsContact O-CD 3.29Å; I114-R122 WeakPolarHBondContact O-CD 3.06Å; I114-R122 PolarHBondContact O-NH1 3.25Å; L115-R122 VanDerWaalsContact CA-CD 3.41Å; L115-R122 HydrophobicContact CB-CB 4.07Å; L115-R122 HydrophobicContact CB-CG 4Å; L115-R122 HydrophobicContact CD1-CG 4.46Å
123	S	33.3	Very low	52	Low	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.325	C	S	.	.			trans	-177.8	175.1	-149.2	55.9	0	0	0	0	119.4	Y83 A84 T86 H112	Y83-S123 CarbonylContact C-O 3.46Å; A84-S123 WeakPolarHBondContact CB-OG 3.39Å; A84-S123 PolarHBondContact N-O 3.44Å; A84-S123 PolarHBondContact O-OG 2.93Å; A84-S123 VanDerWaalsContact O-OG 3.04Å; T86-S123 PolarHBondContact OG1-OG 2.94Å; H112-S123 PolarHBondContact O-N 3.32Å
124	E	43	Very low	53.3	Low	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.301	C	S	.	.			trans	-163.2	146.6	-175.4	129.8	171.7	-63.8	0	0	116.8	I82 V108 Q110 L111 R127	I82-E124 WeakPolarHBondContact CA-OE1 3.39Å; I82-E124 HydrophobicContact CB-CB 3.61Å; I82-E124 HydrophobicContact CB-CG 3.67Å; I82-E124 WeakPolarHBondContact CB-OE1 3.38Å; I82-E124 HydrophobicContact CD1-CB 4.33Å; I82-E124 HydrophobicContact CD1-CG 3.46Å; I82-E124 VanDerWaalsContact CD1-CG 3.46Å; I82-E124 VanDerWaalsContact CD1-OE1 3.27Å; I82-E124 WeakPolarHBondContact CD1-OE1 3.33Å; I82-E124 HydrophobicContact CG1-CG 4.14Å; I82-E124 VanDerWaalsContact CG1-OE1 3.31Å; I82-E124 WeakPolarHBondContact CG1-OE1 3.33Å; I82-E124 HydrophobicContact CG2-CB 3.98Å; I82-E124 HydrophobicContact CG2-CG 4.32Å; I82-E124 PolarHBondContact N-OE1 2.85Å; V108-E124 HydrophobicContact CB-CG 4.48Å; V108-E124 HydrophobicContact CG1-CG 3.78Å; V108-E124 WeakPolarHBondContact CG1-OE2 3.46Å; Q110-E124 VanDerWaalsContact C-OE1 3.29Å; Q110-E124 VanDerWaalsContact C-OE2 3.28Å; L111-E124 WeakPolarHBondContact CA-OE2 3.32Å; L111-E124 HydrophobicContact CB-CB 4Å; L111-E124 HydrophobicContact CB-CG 4.01Å; L111-E124 VanDerWaalsContact CB-OE2 3.27Å; L111-E124 WeakPolarHBondContact CB-OE2 3.4Å; L111-E124 HydrophobicContact CD1-CB 3.47Å; L111-E124 VanDerWaalsContact CD1-CB 3.47Å; L111-E124 HydrophobicContact CD1-CG 3.72Å; L111-E124 HydrophobicContact CG-CB 3.65Å; L111-E124 HydrophobicContact CG-CG 4.1Å; L111-E124 PolarHBondContact N-OE2 3.43Å; E124-R127 IonicContact OE1-CZ 3.34Å; E124-R127 IonicContact OE1-NH1 3.18Å; E124-R127 PolarHBondContact OE1-NH1 2.61Å; E124-R127 IonicContact OE1-NH2 3.59Å; E124-R127 IonicContact OE2-CZ 2.67Å; E124-R127 IonicContact OE2-NH1 3.15Å; E124-R127 PolarHBondContact OE2-NH1 2.83Å; E124-R127 IonicContact OE2-NH2 2.66Å; E124-R127 PolarHBondContact OE2-NH2 3.01Å
125	L	39.1	Very low	54.5	Low	104 Å²	104	53 Å²	53	55%	0.545	29%	0.285	S	S	.	.			trans	-158.7	-10	170.2	-163.3	123.3	0	0	0	119.9
126	M	49.5	Very low	56.4	Low	11 Å²	11	52.5 Å²	52.5	5%	0.054	28%	0.282	C	S	.	.			trans	-122.1	63.7	-163.3	41.4	-72.3	-52.8	0	0	113.6	I21 L23 I82 A84 T128 W135 A176	I21-M126 HydrophobicContact CB-CE 4.42Å; I21-M126 HydrophobicContact CB-CG 4.39Å; I21-M126 HydrophobicContact CB-SD 3.99Å; I21-M126 HydrophobicContact CD1-CE 3.14Å; I21-M126 HydrophobicContact CD1-SD 3.39Å; I21-M126 WeakPolarHBondContact CD1-SD 3.37Å; I21-M126 HydrophobicContact CG1-CE 4.21Å; I21-M126 HydrophobicContact CG1-SD 4.16Å; I21-M126 HydrophobicContact CG2-CE 4.42Å; I21-M126 HydrophobicContact CG2-CG 3.72Å; I21-M126 HydrophobicContact CG2-SD 3.38Å; I21-M126 WeakPolarHBondContact CG2-SD 3.38Å; L23-M126 VanDerWaalsContact CD1-O 3.27Å; L23-M126 WeakPolarHBondContact CD1-O 3.25Å; I82-M126 HydrophobicContact CG2-CG 3.77Å; I82-M126 HydrophobicContact CG2-SD 3.57Å; I82-M126 VanDerWaalsContact CG2-SD 3.57Å; A84-M126 HydrophobicContact CB-SD 4.49Å; M126-T128 PolarHBondContact O-N 2.87Å; M126-W135 HydrophobicContact CB-CZ3 4.49Å; M126-W135 HydrophobicContact CE-CH2 3.49Å; M126-W135 VanDerWaalsContact CE-CH2 3.49Å; M126-W135 HydrophobicContact CE-CZ2 3.98Å; M126-W135 HydrophobicContact CE-CZ3 4.37Å; M126-A176 HydrophobicContact CB-CB 3.94Å; M126-A176 HydrophobicContact CE-CB 4.03Å; M126-A176 HydrophobicContact CG-CB 3.52Å; M126-A176 HydrophobicContact SD-CB 4.34Å
127	R	46.5	Very low	57.6	Low	58 Å²	58	49.5 Å²	49.5	22%	0.219	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-7.7	-164.5	-141.9	173.3	-68.8	-76.7	4.5	117	P80 I82 V108 A109 E124	P80-R127 HydrophobicContact CB-CG 4.1Å; P80-R127 HydrophobicContact CG-CG 4.35Å; P80-R127 WeakPolarHBondContact O-CG 3.36Å; P80-R127 PolarHBondContact O-NH1 3.23Å; I82-R127 VanDerWaalsContact CD1-CA 3.5Å; I82-R127 HydrophobicContact CD1-CB 3.61Å; I82-R127 HydrophobicContact CD1-CG 3.69Å; I82-R127 HydrophobicContact CG1-CB 4.2Å; I82-R127 HydrophobicContact CG1-CG 3.98Å; V108-R127 VanDerWaalsContact CG1-NH2 3.34Å; A109-R127 PolarHBondContact O-NH1 2.79Å; A109-R127 VanDerWaalsContact O-NH1 3.14Å; A109-R127 PolarHBondContact O-NH2 3.31Å; E124-R127 IonicContact OE1-CZ 3.34Å; E124-R127 IonicContact OE1-NH1 3.18Å; E124-R127 PolarHBondContact OE1-NH1 2.61Å; E124-R127 IonicContact OE1-NH2 3.59Å; E124-R127 IonicContact OE2-CZ 2.67Å; E124-R127 IonicContact OE2-NH1 3.15Å; E124-R127 PolarHBondContact OE2-NH1 2.83Å; E124-R127 IonicContact OE2-NH2 2.66Å; E124-R127 PolarHBondContact OE2-NH2 3.01Å
128	T	55.8	Low	59.3	Low	98 Å²	98	46.3 Å²	46.3	60%	0.601	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-132.5	18	-165.9	65	0	0	0	0	114	M126 K217	M126-T128 PolarHBondContact O-N 2.87Å; T128-K217 PolarHBondContact O-NZ 3.27Å; T128-K217 PolarHBondContact OG1-NZ 3.24Å
129	T	61.3	Low	60.8	Low	10 Å²	10	42.9 Å²	42.9	6%	0.061	23%	0.23	C	C	.	.			trans	-82.1	131.5	177.5	-55.3	0	0	0	0	110.4	L23 S133 E215	L23-T129 VanDerWaalsContact CD1-O 3.23Å; L23-T129 WeakPolarHBondContact CD1-O 3.46Å; T129-S133 WeakPolarHBondContact CG2-OG 3.43Å; T129-S133 WeakPolarHBondContact OG1-CB 3.11Å; T129-S133 PolarHBondContact OG1-OG 2.89Å; T129-E215 WeakPolarHBondContact CA-OE2 3.44Å
130	R	70.8	Confident	62.6	Low	202 Å²	202	40.6 Å²	40.6	76%	0.762	21%	0.21	S	C	*	.	S	Bend	trans	-102	-42.8	-179.9	-57.8	-179.4	175.9	-173.7	-2.1	111.8	S178 E215	R130-S178 VanDerWaalsContact O-CB 3.25Å; R130-S178 WeakPolarHBondContact O-CB 3.42Å; R130-S178 PolarHBondContact O-OG 3.36Å; R130-E215 VanDerWaalsContact CA-OE1 3.31Å; R130-E215 WeakPolarHBondContact CA-OE1 3.43Å; R130-E215 WeakPolarHBondContact CB-OE1 3.09Å; R130-E215 PolarHBondContact N-OE1 3.15Å; R130-E215 PolarHBondContact N-OE2 3.33Å
131	K	81.3	Confident	64.7	Low	81 Å²	81	38.7 Å²	38.7	35%	0.352	20%	0.198	S	C	.	.	S	Bend	trans	-116.8	-85.5	172.5	-81.4	-164.4	161.4	-159.7	0	111.4	V177 S178 V181 E213 E215	K131-V177 CarbonylContact O-C 3.52Å; K131-V177 WeakPolarHBondContact O-CA 3.21Å; K131-S178 PolarHBondContact O-N 3.44Å; K131-S178 PolarHBondContact O-OG 3.49Å; K131-V181 HydrophobicContact CB-CG2 4.41Å; K131-V181 HydrophobicContact CG-CG2 4.17Å; K131-E213 HydrophobicContact CD-CB 4.25Å; K131-E213 HydrophobicContact CD-CG 4.44Å; K131-E213 WeakPolarHBondContact CD-OE2 3.29Å; K131-E213 IonicContact NZ-OE1 3.88Å; K131-E213 PolarHBondContact NZ-OE1 2.9Å; K131-E213 IonicContact NZ-OE2 3.08Å; K131-E213 PolarHBondContact NZ-OE2 3.25Å; K131-E215 PolarHBondContact N-OE1 3.11Å
132	V	83.2	Confident	66.6	Low	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	130.1	178.5	179.8	0	0	0	0	107.7	A176 V177 L205 I208 T209 L214 E215	V132-A176 CarbonylContact C-O 3.56Å; V132-A176 VanDerWaalsContact CA-O 3.25Å; V132-A176 WeakPolarHBondContact CA-O 2.93Å; V132-A176 WeakPolarHBondContact CG1-O 3.48Å; V132-V177 HydrophobicContact CG1-CG2 4.36Å; V132-V177 HydrophobicContact CG2-CB 4.34Å; V132-V177 HydrophobicContact CG2-CG1 4.06Å; V132-V177 HydrophobicContact CG2-CG2 4.02Å; V132-L205 HydrophobicContact CG1-CD2 4Å; V132-I208 HydrophobicContact CG2-CD1 4.21Å; V132-T209 HydrophobicContact CB-CG2 3.97Å; V132-T209 HydrophobicContact CG1-CG2 4.27Å; V132-T209 HydrophobicContact CG2-CG2 3.66Å; V132-L214 HydrophobicContact CB-CD2 3.88Å; V132-L214 HydrophobicContact CG1-CD2 3.6Å; V132-L214 CarbonylContact O-C 3.5Å; V132-L214 WeakPolarHBondContact O-CA 2.88Å; V132-E215 PolarHBondContact O-N 2.98Å
133	S	81.3	Confident	68.9	Low	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	144.7	-179.2	57.3	0	0	0	0	111.4	T129 W135 F175 A176 E215	T129-S133 WeakPolarHBondContact CG2-OG 3.43Å; T129-S133 WeakPolarHBondContact OG1-CB 3.11Å; T129-S133 PolarHBondContact OG1-OG 2.89Å; S133-W135 WeakPolarHBondContact OG-CZ3 3.35Å; S133-F175 CarbonylContact O-C 3.59Å; S133-F175 WeakPolarHBondContact O-CA 3.09Å; S133-F175 WeakPolarHBondContact O-CB 3.33Å; S133-A176 PolarHBondContact N-O 2.79Å; S133-A176 PolarHBondContact O-N 3.35Å; S133-E215 CarbonylContact C-O 3.57Å; S133-E215 VanDerWaalsContact CA-O 3.22Å; S133-E215 WeakPolarHBondContact CA-O 3.38Å
134	V	85.1	Confident	71.4	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	152	-176.6	-65.5	0	0	0	0	112.4	P148 V155 I170 G174 F175 L214 E215 K217	V134-P148 HydrophobicContact CB-CG 3.75Å; V134-P148 HydrophobicContact CG2-CB 4.07Å; V134-P148 HydrophobicContact CG2-CG 3.55Å; V134-V155 HydrophobicContact CG2-CG2 3.8Å; V134-I170 HydrophobicContact CB-CD1 3.87Å; V134-I170 HydrophobicContact CG1-CD1 3.82Å; V134-G174 CarbonylContact C-O 3.58Å; V134-G174 VanDerWaalsContact CA-O 3.32Å; V134-G174 WeakPolarHBondContact CA-O 3Å; V134-F175 HydrophobicContact CG1-CB 4Å; V134-L214 HydrophobicContact CG1-CD1 4.2Å; V134-L214 HydrophobicContact CG1-CD2 4.1Å; V134-L214 HydrophobicContact CG2-CB 4.23Å; V134-L214 HydrophobicContact CG2-CD1 4.49Å; V134-E215 PolarHBondContact N-O 2.97Å; V134-K217 PolarHBondContact O-N 3.11Å
135	W	83.5	Confident	73.2	Confident	20 Å²	20	58.3 Å²	58.3	8%	0.076	29%	0.29	C	S	.	.			trans	-153	167.6	178	52.7	75.1	0	0	0	112.3	M126 S133 A173 G174 F175 A176 K217 A218	M126-W135 HydrophobicContact CB-CZ3 4.49Å; M126-W135 HydrophobicContact CE-CH2 3.49Å; M126-W135 VanDerWaalsContact CE-CH2 3.49Å; M126-W135 HydrophobicContact CE-CZ2 3.98Å; M126-W135 HydrophobicContact CE-CZ3 4.37Å; S133-W135 WeakPolarHBondContact OG-CZ3 3.35Å; W135-A173 PolarHBondContact NE1-O 3.28Å; W135-G174 PolarHBondContact N-O 3.01Å; W135-F175 WeakPolarHBondContact CH2-O 3.49Å; W135-A176 HydrophobicContact CH2-CB 3.67Å; W135-A176 HydrophobicContact CZ3-CB 4.12Å; W135-K217 HydrophobicContact CE3-CB 4.24Å; W135-K217 HydrophobicContact CE3-CG 4.25Å; W135-A218 HydrophobicContact CB-CB 3.92Å
136	P	84.5	Confident	75.5	Confident	1 Å²	1	54 Å²	54	1%	0.006	27%	0.267	C	S	.	.			trans	-68.3	142.5	175.8	-21.7	35.7	0	0	0	113.5	E146 R147 C221 K223 V224	P136-E146 VanDerWaalsContact CA-O 3.3Å; P136-E146 WeakPolarHBondContact CA-O 3.46Å; P136-R147 HydrophobicContact CB-CB 3.8Å; P136-R147 HydrophobicContact CG-CB 3.81Å; P136-C221 VanDerWaalsContact CG-C 3.48Å; P136-C221 HydrophobicContact CG-CB 3.88Å; P136-C221 WeakPolarHBondContact CG-O 3.39Å; P136-K223 WeakPolarHBondContact CD-O 3.22Å; P136-K223 VanDerWaalsContact CG-O 3.31Å; P136-K223 WeakPolarHBondContact CG-O 3.4Å; P136-V224 HydrophobicContact CB-CG2 4.03Å
137	V	75.8	Confident	77.4	Confident	3 Å²	3	56.9 Å²	56.9	2%	0.018	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126	175.8	-177.8	0	0	0	0	109.3	V140 Y145 E146 D171 A173 V226 H228	V137-V140 HydrophobicContact CB-CG1 3.94Å; V137-V140 HydrophobicContact CG1-CB 4.17Å; V137-V140 HydrophobicContact CG1-CG1 3.88Å; V137-Y145 CarbonylContact O-C 3.05Å; V137-Y145 WeakPolarHBondContact O-CA 3.42Å; V137-Y145 VanDerWaalsContact O-CB 3.28Å; V137-Y145 WeakPolarHBondContact O-CB 3.27Å; V137-E146 PolarHBondContact N-O 3.06Å; V137-E146 PolarHBondContact O-N 2.91Å; V137-D171 HydrophobicContact CG1-CB 4.48Å; V137-D171 HydrophobicContact CG2-CB 4.36Å; V137-A173 HydrophobicContact CG1-CB 4.38Å; V137-A173 HydrophobicContact CG2-CB 4.46Å; V137-V226 HydrophobicContact CB-CG1 4.34Å; V137-V226 HydrophobicContact CG1-CG1 4.36Å; V137-V226 HydrophobicContact CG2-CG1 3.92Å; V137-H228 HydrophobicContact CG1-CB 4.18Å
138	G	73.4	Confident	79.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	153.1	175.7	0	0	0	0	0	113.2	V140 R144 V226 H228	G138-V140 PolarHBondContact O-N 3.21Å; G138-R144 WeakPolarHBondContact CA-O 3.35Å; G138-V226 PolarHBondContact N-O 3.27Å; G138-H228 PolarHBondContact O-N 2.91Å
139	L	80.8	Confident	81.4	Confident	104 Å²	104	52.3 Å²	52.3	55%	0.545	25%	0.254	S	S	.	.	S	Bend	trans	58.1	38	171.4	-50.6	179.6	0	0	0	115.2	R143 R144	L139-R143 WeakPolarHBondContact CA-O 3.47Å; L139-R144 PolarHBondContact N-O 3.45Å
140	V	79.1	Confident	82.9	Confident	16 Å²	16	53.2 Å²	53.2	10%	0.097	26%	0.259	C	S	.	.			trans	-127	161.6	-178.3	75.1	0	0	0	0	111.6	V137 G138 G142 R143 E146 D171 H228	V137-V140 HydrophobicContact CB-CG1 3.94Å; V137-V140 HydrophobicContact CG1-CB 4.17Å; V137-V140 HydrophobicContact CG1-CG1 3.88Å; G138-V140 PolarHBondContact O-N 3.21Å; V140-G142 PolarHBondContact O-N 3.31Å; V140-G142 VanDerWaalsContact O-N 3.1Å; V140-R143 PolarHBondContact N-O 3.24Å; V140-R143 PolarHBondContact O-N 2.67Å; V140-E146 HydrophobicContact CG1-CB 3.82Å; V140-E146 HydrophobicContact CG1-CG 3.75Å; V140-D171 HydrophobicContact CG1-CB 4.39Å; V140-D171 HydrophobicContact CG2-CB 3.85Å; V140-H228 HydrophobicContact CB-CB 4.09Å; V140-H228 HydrophobicContact CG2-CB 4.35Å
141	G	78.4	Confident	83.9	Confident	33 Å²	33	49.5 Å²	49.5	34%	0.34	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	21.4	178	0	0	0	0	0	115.3	R143	G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 2.66Å
142	G	78.9	Confident	84.4	Confident	90 Å²	90	53.8 Å²	53.8	93%	0.928	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	16.7	-172.5	0	0	0	0	0	114.2	V140	V140-G142 PolarHBondContact O-N 3.31Å; V140-G142 VanDerWaalsContact O-N 3.1Å
143	R	83.4	Confident	84.6	Confident	96 Å²	96	55.3 Å²	55.3	36%	0.362	29%	0.293	S	S	.	.	S	Bend	trans	-122.6	166	-177	-68.5	-171.1	168.6	-176.8	4.2	112.5	L139 V140 G141 Y145 Y159 T160 G161	L139-R143 WeakPolarHBondContact CA-O 3.47Å; V140-R143 PolarHBondContact N-O 3.24Å; V140-R143 PolarHBondContact O-N 2.67Å; G141-R143 VanDerWaalsContact C-N 3.27Å; G141-R143 PolarHBondContact O-N 2.66Å; R143-Y145 PolarHBondContact O-N 3Å; R143-Y159 VanDerWaalsContact NH1-CZ 3.32Å; R143-T160 VanDerWaalsContact CZ-O 3.3Å; R143-T160 PolarHBondContact NH1-O 3.46Å; R143-T160 PolarHBondContact NH2-O 3.35Å; R143-G161 VanDerWaalsContact CZ-CA 3.42Å; R143-G161 VanDerWaalsContact NE-CA 3.26Å
144	R	84	Confident	85.2	Confident	214 Å²	214	60.6 Å²	60.6	81%	0.808	32%	0.316	S	S	*	.	S	Bend	trans	-57	-37.7	170.8	-68.8	-177.9	66.8	-163.4	0.8	111.8	G138 L139	G138-R144 WeakPolarHBondContact CA-O 3.35Å; L139-R144 PolarHBondContact N-O 3.45Å
145	Y	82.1	Confident	85.6	Confident	83 Å²	83	61 Å²	61	33%	0.325	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	161.9	171.3	57.1	-94.5	0	0	0	110.2	V137 R143 R147 Y159 V224	V137-Y145 CarbonylContact O-C 3.05Å; V137-Y145 WeakPolarHBondContact O-CA 3.42Å; V137-Y145 VanDerWaalsContact O-CB 3.28Å; V137-Y145 WeakPolarHBondContact O-CB 3.27Å; R143-Y145 PolarHBondContact O-N 3Å; Y145-R147 HydrophobicContact CD2-CG 4.45Å; Y145-R147 HydrophobicContact CE2-CG 4.35Å; Y145-Y159 HydrophobicContact CD2-CD1 4.25Å; Y145-Y159 HydrophobicContact CD2-CE1 4.25Å; Y145-Y159 AromaticContact CE2-CD1 3.98Å; Y145-Y159 HydrophobicContact CE2-CD1 3.98Å; Y145-Y159 AromaticContact CE2-CE1 3.85Å; Y145-Y159 HydrophobicContact CE2-CE1 3.85Å; Y145-V224 HydrophobicContact CD1-CG2 4.32Å; Y145-V224 HydrophobicContact CG-CG2 4.09Å
146	E	86.8	Confident	86	Confident	13 Å²	13	63.9 Å²	63.9	6%	0.061	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	153.2	161.9	-63.3	-167.2	139.8	0	0	109.3	P136 V137 V140 Y159 T160 G161	P136-E146 VanDerWaalsContact CA-O 3.3Å; P136-E146 WeakPolarHBondContact CA-O 3.46Å; V137-E146 PolarHBondContact N-O 3.06Å; V137-E146 PolarHBondContact O-N 2.91Å; V140-E146 HydrophobicContact CG1-CB 3.82Å; V140-E146 HydrophobicContact CG1-CG 3.75Å; E146-Y159 VanDerWaalsContact CA-O 3.27Å; E146-Y159 WeakPolarHBondContact CA-O 3.13Å; E146-Y159 WeakPolarHBondContact CB-O 3.2Å; E146-T160 VanDerWaalsContact CD-OG1 3.3Å; E146-T160 WeakPolarHBondContact OE1-CA 3.47Å; E146-T160 VanDerWaalsContact OE1-CB 3.24Å; E146-T160 WeakPolarHBondContact OE1-CB 3.46Å; E146-T160 PolarHBondContact OE1-OG1 3.41Å; E146-G161 PolarHBondContact OE1-N 3.19Å
147	R	90.6	Very high	86.4	Confident	72 Å²	72	64.6 Å²	64.6	27%	0.272	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	154.6	-178.7	66.2	170.4	-169.1	101.8	-8.5	114	P136 Y145 Y159 C221	P136-R147 HydrophobicContact CB-CB 3.8Å; P136-R147 HydrophobicContact CG-CB 3.81Å; Y145-R147 HydrophobicContact CD2-CG 4.45Å; Y145-R147 HydrophobicContact CE2-CG 4.35Å; R147-Y159 HydrophobicContact CG-CD1 4.27Å; R147-Y159 HydrophobicContact CG-CG 4.33Å; R147-Y159 PolarHBondContact N-O 2.88Å; R147-Y159 PolarHBondContact O-N 3.07Å; R147-C221 VanDerWaalsContact CD-O 3.31Å; R147-C221 WeakPolarHBondContact CD-O 3.37Å
148	P	92.6	Very high	87.2	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59	140.9	157.4	-16.8	29.5	0	0	0	111.1	V134 V150 V155 W158 I170 C221	V134-P148 HydrophobicContact CB-CG 3.75Å; V134-P148 HydrophobicContact CG2-CB 4.07Å; V134-P148 HydrophobicContact CG2-CG 3.55Å; P148-V150 HydrophobicContact CB-CG2 4.21Å; P148-V155 HydrophobicContact CB-CG1 4.14Å; P148-V155 HydrophobicContact CB-CG2 4.18Å; P148-W158 HydrophobicContact CB-CE3 4.31Å; P148-W158 HydrophobicContact CB-CZ3 4.07Å; P148-W158 HydrophobicContact CG-CE3 4.41Å; P148-W158 HydrophobicContact CG-CZ3 3.93Å; P148-I170 HydrophobicContact CG-CD1 4.42Å; P148-C221 HydrophobicContact CB-CB 4.28Å; P148-C221 HydrophobicContact CG-CB 4.31Å; P148-C221 VanDerWaalsContact CG-SG 3.57Å
149	L	92.7	Very high	88	Confident	60 Å²	60	70.3 Å²	70.3	31%	0.314	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	129.2	163.1	-61.7	178.2	0	0	0	107.8	V155 V156 G157	L149-V155 WeakPolarHBondContact O-CA 3.12Å; L149-V156 HydrophobicContact CB-CG2 4.07Å; L149-V156 PolarHBondContact O-N 2.9Å; L149-G157 WeakPolarHBondContact CB-O 3.24Å; L149-G157 PolarHBondContact N-O 2.86Å
150	V	92.9	Very high	88.3	Confident	29 Å²	29	65.9 Å²	65.9	18%	0.176	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	125.1	-170.9	-177.6	0	0	0	0	109.6	P148 K154 P216 N220 C221	P148-V150 HydrophobicContact CB-CG2 4.21Å; V150-K154 CarbonylContact C-O 3.39Å; V150-K154 VanDerWaalsContact CA-O 3.24Å; V150-K154 WeakPolarHBondContact CA-O 3.46Å; V150-P216 HydrophobicContact CB-CB 4.46Å; V150-P216 HydrophobicContact CG1-CB 3.93Å; V150-P216 HydrophobicContact CG1-CG 3.79Å; V150-P216 HydrophobicContact CG2-CB 3.63Å; V150-P216 HydrophobicContact CG2-CG 4.34Å; V150-N220 HydrophobicContact CB-CB 4.5Å; V150-N220 HydrophobicContact CG1-CB 4.08Å; V150-C221 HydrophobicContact CG2-CB 3.88Å
151	E	92.4	Very high	88.1	Confident	124 Å²	124	67 Å²	67	58%	0.579	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.8	136.4	174.3	-68.5	179.8	-169.6	0	0	108.5	G153 K154 V156	E151-G153 PolarHBondContact O-N 2.81Å; E151-K154 PolarHBondContact N-O 3.33Å; E151-K154 PolarHBondContact O-N 2.91Å; E151-V156 HydrophobicContact CB-CG1 4.04Å; E151-V156 HydrophobicContact CB-CG2 4.28Å; E151-V156 HydrophobicContact CG-CG2 3.9Å
152	N	91.6	Very high	87.7	Confident	171 Å²	171	71.1 Å²	71.1	91%	0.914	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	30.5	-179.5	-57.6	-40.7	0	0	0	114.8	K154	N152-K154 VanDerWaalsContact C-N 3.33Å
153	G	87.3	Confident	87.4	Confident	33 Å²	33	70.4 Å²	70.4	34%	0.34	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	10.4	-177.8	0	0	0	0	0	115.3	E151 P216	E151-G153 PolarHBondContact O-N 2.81Å; G153-P216 WeakPolarHBondContact O-CD 3.27Å; G153-P216 VanDerWaalsContact O-CG 3.3Å; G153-P216 WeakPolarHBondContact O-CG 3.38Å
154	K	93.4	Very high	86.9	Confident	110 Å²	110	69 Å²	69	48%	0.478	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.1	176.2	-69	-61.6	-168.5	175.5	0	111.4	V150 E151 N152 E212	V150-K154 CarbonylContact C-O 3.39Å; V150-K154 VanDerWaalsContact CA-O 3.24Å; V150-K154 WeakPolarHBondContact CA-O 3.46Å; E151-K154 PolarHBondContact N-O 3.33Å; E151-K154 PolarHBondContact O-N 2.91Å; N152-K154 VanDerWaalsContact C-N 3.33Å; K154-E212 PolarHBondContact NZ-O 3.46Å
155	V	92.9	Very high	86.8	Confident	8 Å²	8	64.3 Å²	64.3	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	126.9	172.5	-178.7	0	0	0	0	108.6	V134 P148 L149 W158 V211 L214	V134-V155 HydrophobicContact CG2-CG2 3.8Å; P148-V155 HydrophobicContact CB-CG1 4.14Å; P148-V155 HydrophobicContact CB-CG2 4.18Å; L149-V155 WeakPolarHBondContact O-CA 3.12Å; V155-W158 HydrophobicContact CG1-CH2 4.27Å; V155-W158 HydrophobicContact CG1-CZ2 4.3Å; V155-V211 HydrophobicContact CB-CG1 4.05Å; V155-V211 HydrophobicContact CG1-CG1 3.89Å; V155-L214 HydrophobicContact CB-CB 4.33Å; V155-L214 HydrophobicContact CB-CD1 4.15Å; V155-L214 HydrophobicContact CG1-CD1 4.18Å; V155-L214 HydrophobicContact CG2-CB 3.74Å; V155-L214 HydrophobicContact CG2-CD1 4.06Å
156	V	93.2	Very high	86.9	Confident	81 Å²	81	61 Å²	61	49%	0.491	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	-7.7	-179.9	-63.3	0	0	0	0	113.1	L149 E151	L149-V156 HydrophobicContact CB-CG2 4.07Å; L149-V156 PolarHBondContact O-N 2.9Å; E151-V156 HydrophobicContact CB-CG1 4.04Å; E151-V156 HydrophobicContact CB-CG2 4.28Å; E151-V156 HydrophobicContact CG-CG2 3.9Å
157	G	91.4	Very high	86.9	Confident	17 Å²	17	63 Å²	63	18%	0.175	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170	-164.6	-180	0	0	0	0	0	112.6	L149	L149-G157 WeakPolarHBondContact CB-O 3.24Å; L149-G157 PolarHBondContact N-O 2.86Å
158	W	92.9	Very high	86.9	Confident	29 Å²	29	59.8 Å²	59.8	11%	0.11	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	129	-170.7	-52	103.7	0	0	0	111.9	P148 V155 T160 P167 F168 A169 I170 L214	P148-W158 HydrophobicContact CB-CE3 4.31Å; P148-W158 HydrophobicContact CB-CZ3 4.07Å; P148-W158 HydrophobicContact CG-CE3 4.41Å; P148-W158 HydrophobicContact CG-CZ3 3.93Å; V155-W158 HydrophobicContact CG1-CH2 4.27Å; V155-W158 HydrophobicContact CG1-CZ2 4.3Å; W158-T160 HydrophobicContact CB-CG2 4.29Å; W158-T160 PolarHBondContact O-N 3.37Å; W158-P167 PolarHBondContact NE1-O 3.48Å; W158-F168 HydrophobicContact CH2-CD1 4.26Å; W158-F168 HydrophobicContact CZ2-CB 4.15Å; W158-F168 AromaticContact CZ2-CD1 3.86Å; W158-F168 HydrophobicContact CZ2-CD1 3.86Å; W158-F168 HydrophobicContact CZ2-CG 4.38Å; W158-A169 HydrophobicContact CB-CB 3.72Å; W158-A169 HydrophobicContact CD2-CB 4.28Å; W158-A169 HydrophobicContact CG-CB 3.63Å; W158-I170 HydrophobicContact CE3-CB 4.18Å; W158-I170 HydrophobicContact CH2-CB 4.37Å; W158-I170 HydrophobicContact CZ3-CB 3.77Å; W158-I170 HydrophobicContact CZ3-CD1 4.04Å; W158-I170 HydrophobicContact CZ3-CG1 4.24Å; W158-I170 HydrophobicContact CZ3-CG2 4.43Å; W158-L214 HydrophobicContact CH2-CD1 3.61Å; W158-L214 HydrophobicContact CZ2-CD1 3.92Å
159	Y	91.4	Very high	86.8	Confident	94 Å²	94	60 Å²	60	37%	0.369	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	92.2	166	-179	-97.2	0	0	0	108.6	R143 Y145 E146 R147	R143-Y159 VanDerWaalsContact NH1-CZ 3.32Å; Y145-Y159 HydrophobicContact CD2-CD1 4.25Å; Y145-Y159 HydrophobicContact CD2-CE1 4.25Å; Y145-Y159 AromaticContact CE2-CD1 3.98Å; Y145-Y159 HydrophobicContact CE2-CD1 3.98Å; Y145-Y159 AromaticContact CE2-CE1 3.85Å; Y145-Y159 HydrophobicContact CE2-CE1 3.85Å; E146-Y159 VanDerWaalsContact CA-O 3.27Å; E146-Y159 WeakPolarHBondContact CA-O 3.13Å; E146-Y159 WeakPolarHBondContact CB-O 3.2Å; R147-Y159 HydrophobicContact CG-CD1 4.27Å; R147-Y159 HydrophobicContact CG-CG 4.33Å; R147-Y159 PolarHBondContact N-O 2.88Å; R147-Y159 PolarHBondContact O-N 3.07Å
160	T	86.3	Confident	86.4	Confident	10 Å²	10	57.5 Å²	57.5	6%	0.061	31%	0.312	C	S	.	.			trans	-127.8	153.4	178.7	173.8	0	0	0	0	110.7	R143 E146 W158 W162 A164 A169	R143-T160 VanDerWaalsContact CZ-O 3.3Å; R143-T160 PolarHBondContact NH1-O 3.46Å; R143-T160 PolarHBondContact NH2-O 3.35Å; E146-T160 VanDerWaalsContact CD-OG1 3.3Å; E146-T160 WeakPolarHBondContact OE1-CA 3.47Å; E146-T160 VanDerWaalsContact OE1-CB 3.24Å; E146-T160 WeakPolarHBondContact OE1-CB 3.46Å; E146-T160 PolarHBondContact OE1-OG1 3.41Å; W158-T160 HydrophobicContact CB-CG2 4.29Å; W158-T160 PolarHBondContact O-N 3.37Å; T160-W162 PolarHBondContact OG1-N 3.07Å; T160-W162 PolarHBondContact OG1-O 2.94Å; T160-W162 VanDerWaalsContact OG1-O 3.13Å; T160-A164 HydrophobicContact CG2-CB 3.7Å; T160-A169 HydrophobicContact CG2-CB 3.79Å
161	G	75.3	Confident	86	Confident	40 Å²	40	57.4 Å²	57.4	41%	0.412	31%	0.311	S	S	.	.	S	Bend	trans	-84.2	-11.4	169.1	0	0	0	0	0	113.9	R143 E146	R143-G161 VanDerWaalsContact CZ-CA 3.42Å; R143-G161 VanDerWaalsContact NE-CA 3.26Å; E146-G161 PolarHBondContact OE1-N 3.19Å
162	W	69.9	Low	85.4	Confident	119 Å²	119	51.7 Å²	51.7	45%	0.451	28%	0.284	S	S	.	.	S	Bend	trans	-144.4	115.1	-164.1	-166.7	84.3	0	0	0	112	T160 R166 P197	T160-W162 PolarHBondContact OG1-N 3.07Å; T160-W162 PolarHBondContact OG1-O 2.94Å; T160-W162 VanDerWaalsContact OG1-O 3.13Å; W162-R166 PolarHBondContact O-NH2 3.02Å; W162-P197 VanDerWaalsContact CH2-O 3.28Å; W162-P197 WeakPolarHBondContact CH2-O 3.3Å
163	R	71.4	Confident	84.5	Confident	75 Å²	75	44.2 Å²	44.2	28%	0.283	25%	0.246	S	C	.	.			trans	50.9	70.6	-179.8	-61.3	-171.6	65.3	175.5	6.5	113.4	D165 R166	R163-D165 WeakPolarHBondContact CA-OD1 3.4Å; R163-D165 VanDerWaalsContact CB-OD1 3.29Å; R163-D165 WeakPolarHBondContact CB-OD1 3.38Å; R163-D165 IonicContact NE-OD2 3.91Å; R163-D165 IonicContact NH2-OD2 3.68Å; R163-D165 PolarHBondContact O-N 3.17Å; R163-R166 HydrophobicContact CB-CG 3.82Å; R163-R166 WeakPolarHBondContact O-CB 3.44Å; R163-R166 VanDerWaalsContact O-CG 3.29Å; R163-R166 WeakPolarHBondContact O-CG 3.29Å; R163-R166 PolarHBondContact O-N 2.92Å; R163-R166 PolarHBondContact O-NE 2.94Å
164	A	74.4	Confident	84	Confident	66 Å²	66	42.7 Å²	42.7	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-14.8	175.3	0	0	0	0	0	113.4	T160 R166	T160-A164 HydrophobicContact CG2-CB 3.7Å; A164-R166 PolarHBondContact O-N 3.29Å
165	D	80.9	Confident	83.4	Confident	117 Å²	117	37.4 Å²	37.4	63%	0.626	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.1	170.3	61	-59.7	0	0	0	113.5	R163	R163-D165 WeakPolarHBondContact CA-OD1 3.4Å; R163-D165 VanDerWaalsContact CB-OD1 3.29Å; R163-D165 WeakPolarHBondContact CB-OD1 3.38Å; R163-D165 IonicContact NE-OD2 3.91Å; R163-D165 IonicContact NH2-OD2 3.68Å; R163-D165 PolarHBondContact O-N 3.17Å
166	R	84	Confident	82.5	Confident	14 Å²	14	37 Å²	37	5%	0.053	21%	0.205	C	C	.	.	S	Bend	trans	-68.7	130.3	178.1	-65.3	-179.5	-67.3	148.6	1.7	110.1	W162 R163 A164 F168 A169 G198 M199	W162-R166 PolarHBondContact O-NH2 3.02Å; R163-R166 HydrophobicContact CB-CG 3.82Å; R163-R166 WeakPolarHBondContact O-CB 3.44Å; R163-R166 VanDerWaalsContact O-CG 3.29Å; R163-R166 WeakPolarHBondContact O-CG 3.29Å; R163-R166 PolarHBondContact O-N 2.92Å; R163-R166 PolarHBondContact O-NE 2.94Å; A164-R166 PolarHBondContact O-N 3.29Å; R166-F168 PolarHBondContact O-N 2.76Å; R166-A169 HydrophobicContact CB-CB 3.93Å; R166-A169 PolarHBondContact O-N 3.18Å; R166-G198 VanDerWaalsContact CD-O 3.31Å; R166-G198 WeakPolarHBondContact CD-O 3.21Å; R166-G198 PolarHBondContact NH1-O 3.09Å; R166-M199 HydrophobicContact CB-SD 4.46Å; R166-M199 HydrophobicContact CG-SD 3.56Å; R166-M199 VanDerWaalsContact CG-SD 3.56Å
167	P	86.7	Confident	81.5	Confident	54 Å²	54	33.2 Å²	33.2	35%	0.351	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-31	-179.3	18.8	-29.1	0	0	0	113.2	W158 K206	W158-P167 PolarHBondContact NE1-O 3.48Å; P167-K206 HydrophobicContact CG-CD 4.47Å
168	F	90.4	Very high	80.6	Confident	5 Å²	5	32.5 Å²	32.5	2%	0.022	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	84.7	165.3	-55	-90.4	0	0	0	109.5	W158 R166 I170 S202 L205 K206 T209 V211 L214	W158-F168 HydrophobicContact CH2-CD1 4.26Å; W158-F168 HydrophobicContact CZ2-CB 4.15Å; W158-F168 AromaticContact CZ2-CD1 3.86Å; W158-F168 HydrophobicContact CZ2-CD1 3.86Å; W158-F168 HydrophobicContact CZ2-CG 4.38Å; R166-F168 PolarHBondContact O-N 2.76Å; F168-I170 PolarHBondContact O-N 3.03Å; F168-I170 VanDerWaalsContact O-N 3.07Å; F168-S202 VanDerWaalsContact C-OG 3.31Å; F168-S202 WeakPolarHBondContact CA-OG 3.47Å; F168-S202 PolarHBondContact N-OG 2.99Å; F168-S202 VanDerWaalsContact N-OG 3.07Å; F168-S202 PolarHBondContact O-OG 3.35Å; F168-L205 HydrophobicContact CB-CB 4.29Å; F168-L205 HydrophobicContact CB-CD1 3.66Å; F168-L205 HydrophobicContact CD1-CB 4.01Å; F168-L205 HydrophobicContact CD1-CD1 3.89Å; F168-L205 HydrophobicContact CD2-CB 3.61Å; F168-L205 HydrophobicContact CE1-CB 4.22Å; F168-L205 HydrophobicContact CE2-CB 3.83Å; F168-L205 HydrophobicContact CG-CB 3.71Å; F168-L205 HydrophobicContact CG-CD1 3.78Å; F168-L205 HydrophobicContact CG-CG 4.4Å; F168-L205 HydrophobicContact CZ-CB 4.13Å; F168-K206 HydrophobicContact CD2-CG 4.33Å; F168-K206 HydrophobicContact CE2-CG 3.98Å; F168-T209 HydrophobicContact CE1-CG2 4.07Å; F168-T209 HydrophobicContact CZ-CG2 4.09Å; F168-V211 HydrophobicContact CD1-CG2 4.41Å; F168-V211 HydrophobicContact CE1-CG2 3.95Å; F168-V211 HydrophobicContact CZ-CG2 4.21Å; F168-L214 HydrophobicContact CD1-CD1 4.07Å; F168-L214 HydrophobicContact CE1-CD1 3.99Å; F168-L214 HydrophobicContact CE1-CD2 4.1Å; F168-L214 HydrophobicContact CE1-CG 4.29Å
169	A	90.2	Very high	79.3	Confident	3 Å²	3	33.2 Å²	33.2	3%	0.025	18%	0.18	C	C	.	.			trans	-84.6	67	177.4	0	0	0	0	0	110.9	W158 T160 R166	W158-A169 HydrophobicContact CB-CB 3.72Å; W158-A169 HydrophobicContact CD2-CB 4.28Å; W158-A169 HydrophobicContact CG-CB 3.63Å; T160-A169 HydrophobicContact CG2-CB 3.79Å; R166-A169 HydrophobicContact CB-CB 3.93Å; R166-A169 PolarHBondContact O-N 3.18Å
170	I	85.6	Confident	78.1	Confident	8 Å²	8	32.7 Å²	32.7	4%	0.041	18%	0.181	C	C	.	.			trans	-130.8	151.3	179.5	-160.1	175	0	0	0	110.4	V134 P148 W158 F168 G174 F175 E201 L205	V134-I170 HydrophobicContact CB-CD1 3.87Å; V134-I170 HydrophobicContact CG1-CD1 3.82Å; P148-I170 HydrophobicContact CG-CD1 4.42Å; W158-I170 HydrophobicContact CE3-CB 4.18Å; W158-I170 HydrophobicContact CH2-CB 4.37Å; W158-I170 HydrophobicContact CZ3-CB 3.77Å; W158-I170 HydrophobicContact CZ3-CD1 4.04Å; W158-I170 HydrophobicContact CZ3-CG1 4.24Å; W158-I170 HydrophobicContact CZ3-CG2 4.43Å; F168-I170 PolarHBondContact O-N 3.03Å; F168-I170 VanDerWaalsContact O-N 3.07Å; I170-G174 WeakPolarHBondContact CD1-O 3.42Å; I170-F175 HydrophobicContact CD1-CB 4.43Å; I170-F175 HydrophobicContact CG2-CD1 3.99Å; I170-E201 WeakPolarHBondContact O-CG 3.28Å; I170-L205 HydrophobicContact CG2-CD1 4.06Å
171	D	83.8	Confident	77.7	Confident	28 Å²	28	32.9 Å²	32.9	15%	0.15	18%	0.182	C	C	.	.			trans	-76.5	155.4	169.5	178.9	78.3	0	0	0	111.5	V137 V140 A173 G174 H228	V137-D171 HydrophobicContact CG1-CB 4.48Å; V137-D171 HydrophobicContact CG2-CB 4.36Å; V140-D171 HydrophobicContact CG1-CB 4.39Å; V140-D171 HydrophobicContact CG2-CB 3.85Å; D171-A173 VanDerWaalsContact C-N 3.28Å; D171-A173 PolarHBondContact O-N 3.1Å; D171-A173 VanDerWaalsContact OD2-CB 3.27Å; D171-A173 WeakPolarHBondContact OD2-CB 3.17Å; D171-A173 PolarHBondContact OD2-N 3.12Å; D171-G174 WeakPolarHBondContact O-CA 3.3Å; D171-G174 PolarHBondContact O-N 3.04Å; D171-H228 IonicContact OD1-CD2 2.73Å; D171-H228 IonicContact OD2-CD2 3.51Å
172	M	79.5	Confident	77.7	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.015	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-60	-34.4	-179.7	-156.4	75.2	66.8	0	0	113.3	I18 V19 I20 G174 F175 F190 E201	I18-M172 HydrophobicContact CB-CE 4.39Å; I18-M172 HydrophobicContact CB-CG 4.09Å; I18-M172 HydrophobicContact CD1-CE 3.72Å; I18-M172 HydrophobicContact CG1-CB 4.37Å; I18-M172 HydrophobicContact CG1-CE 3.53Å; I18-M172 HydrophobicContact CG1-CG 3.93Å; I18-M172 HydrophobicContact CG1-SD 4.41Å; I18-M172 HydrophobicContact CG2-CE 4.05Å; I18-M172 HydrophobicContact CG2-CG 3.94Å; I18-M172 HydrophobicContact CG2-SD 4.17Å; V19-M172 VanDerWaalsContact O-O 3.13Å; I20-M172 HydrophobicContact CG1-SD 4.46Å; M172-G174 PolarHBondContact O-N 2.99Å; M172-G174 VanDerWaalsContact O-N 3.17Å; M172-F175 HydrophobicContact CG-CE1 4.35Å; M172-F175 HydrophobicContact CG-CZ 4.48Å; M172-F175 HydrophobicContact SD-CE1 3.58Å; M172-F175 VanDerWaalsContact SD-CE1 3.58Å; M172-F175 HydrophobicContact SD-CZ 3.42Å; M172-F175 WeakPolarHBondContact SD-CZ 3.12Å; M172-F190 HydrophobicContact CE-CD1 3.84Å; M172-F190 HydrophobicContact CE-CE1 3.24Å; M172-F190 HydrophobicContact CE-CZ 3.93Å; M172-F190 HydrophobicContact SD-CE1 3.6Å; M172-F190 VanDerWaalsContact SD-CE1 3.6Å; M172-F190 HydrophobicContact SD-CZ 3.68Å; M172-E201 HydrophobicContact CB-CG 4.33Å; M172-E201 HydrophobicContact CE-CG 3.64Å; M172-E201 WeakPolarHBondContact CE-OE1 3.2Å; M172-E201 HydrophobicContact SD-CG 3.99Å
173	A	74.4	Confident	77.9	Confident	15 Å²	15	31.8 Å²	31.8	12%	0.124	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-71.3	-5	175.8	0	0	0	0	0	113.4	W135 V137 D171 V226	W135-A173 PolarHBondContact NE1-O 3.28Å; V137-A173 HydrophobicContact CG1-CB 4.38Å; V137-A173 HydrophobicContact CG2-CB 4.46Å; D171-A173 VanDerWaalsContact C-N 3.28Å; D171-A173 PolarHBondContact O-N 3.1Å; D171-A173 VanDerWaalsContact OD2-CB 3.27Å; D171-A173 WeakPolarHBondContact OD2-CB 3.17Å; D171-A173 PolarHBondContact OD2-N 3.12Å; A173-V226 HydrophobicContact CB-CG2 4.19Å
174	G	76	Confident	78.4	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-89.8	-4.7	-175.1	0	0	0	0	0	115.7	V134 W135 I170 D171 M172	V134-G174 CarbonylContact C-O 3.58Å; V134-G174 VanDerWaalsContact CA-O 3.32Å; V134-G174 WeakPolarHBondContact CA-O 3Å; W135-G174 PolarHBondContact N-O 3.01Å; I170-G174 WeakPolarHBondContact CD1-O 3.42Å; D171-G174 WeakPolarHBondContact O-CA 3.3Å; D171-G174 PolarHBondContact O-N 3.04Å; M172-G174 PolarHBondContact O-N 2.99Å; M172-G174 VanDerWaalsContact O-N 3.17Å
175	F	81.5	Confident	78.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	165.1	-175.6	72.3	-94.1	0	0	0	115.8	S133 V134 W135 I170 M172 V177 F190 E201 F204 L205	S133-F175 CarbonylContact O-C 3.59Å; S133-F175 WeakPolarHBondContact O-CA 3.09Å; S133-F175 WeakPolarHBondContact O-CB 3.33Å; V134-F175 HydrophobicContact CG1-CB 4Å; W135-F175 WeakPolarHBondContact CH2-O 3.49Å; I170-F175 HydrophobicContact CD1-CB 4.43Å; I170-F175 HydrophobicContact CG2-CD1 3.99Å; M172-F175 HydrophobicContact CG-CE1 4.35Å; M172-F175 HydrophobicContact CG-CZ 4.48Å; M172-F175 HydrophobicContact SD-CE1 3.58Å; M172-F175 VanDerWaalsContact SD-CE1 3.58Å; M172-F175 HydrophobicContact SD-CZ 3.42Å; M172-F175 WeakPolarHBondContact SD-CZ 3.12Å; F175-V177 HydrophobicContact CD2-CG2 4.05Å; F175-V177 HydrophobicContact CE2-CG2 4.05Å; F175-F190 HydrophobicContact CZ-CZ 4.46Å; F175-E201 HydrophobicContact CE1-CB 4.33Å; F175-E201 HydrophobicContact CE1-CG 4.32Å; F175-F204 HydrophobicContact CE2-CD1 4.29Å; F175-F204 HydrophobicContact CE2-CE1 4.1Å; F175-F204 HydrophobicContact CZ-CD1 4.24Å; F175-F204 HydrophobicContact CZ-CE1 4.46Å; F175-L205 HydrophobicContact CD1-CD1 4.17Å; F175-L205 HydrophobicContact CD2-CD2 3.88Å; F175-L205 HydrophobicContact CE1-CD1 4.09Å; F175-L205 HydrophobicContact CE1-CG 4.46Å; F175-L205 HydrophobicContact CE2-CD2 3.72Å; F175-L205 HydrophobicContact CE2-CG 4.37Å; F175-L205 HydrophobicContact CG-CD1 4.46Å; F175-L205 HydrophobicContact CG-CD2 4.4Å; F175-L205 HydrophobicContact CZ-CD1 4.33Å; F175-L205 HydrophobicContact CZ-CD2 4.07Å; F175-L205 HydrophobicContact CZ-CG 4.22Å
176	A	72.8	Confident	78.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	158.4	165.1	0	0	0	0	0	110.7	I21 M126 V132 S133 W135	I21-A176 HydrophobicContact CB-CB 3.85Å; I21-A176 HydrophobicContact CG2-CB 4.37Å; M126-A176 HydrophobicContact CB-CB 3.94Å; M126-A176 HydrophobicContact CE-CB 4.03Å; M126-A176 HydrophobicContact CG-CB 3.52Å; M126-A176 HydrophobicContact SD-CB 4.34Å; V132-A176 CarbonylContact C-O 3.56Å; V132-A176 VanDerWaalsContact CA-O 3.25Å; V132-A176 WeakPolarHBondContact CA-O 2.93Å; V132-A176 WeakPolarHBondContact CG1-O 3.48Å; S133-A176 PolarHBondContact N-O 2.79Å; S133-A176 PolarHBondContact O-N 3.35Å; W135-A176 HydrophobicContact CH2-CB 3.67Å; W135-A176 HydrophobicContact CZ3-CB 4.12Å
177	V	72.7	Confident	78.9	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	156.4	179.1	-176.4	0	0	0	0	108.4	I21 M22 L23 K131 V132 F175 V181 I182 F204 I208	I21-V177 CarbonylContact C-O 3.51Å; I21-V177 CarbonylContact O-C 3.53Å; I21-V177 WeakPolarHBondContact O-CA 3.37Å; I21-V177 VanDerWaalsContact O-CB 3.3Å; I21-V177 WeakPolarHBondContact O-CB 3.46Å; I21-V177 PolarHBondContact O-N 3.44Å; M22-V177 WeakPolarHBondContact CA-O 3.34Å; M22-V177 HydrophobicContact CE-CB 3.76Å; M22-V177 HydrophobicContact CE-CG1 3.64Å; M22-V177 PolarHBondContact N-O 3.15Å; L23-V177 PolarHBondContact N-O 2.66Å; K131-V177 CarbonylContact O-C 3.52Å; K131-V177 WeakPolarHBondContact O-CA 3.21Å; V132-V177 HydrophobicContact CG1-CG2 4.36Å; V132-V177 HydrophobicContact CG2-CB 4.34Å; V132-V177 HydrophobicContact CG2-CG1 4.06Å; V132-V177 HydrophobicContact CG2-CG2 4.02Å; F175-V177 HydrophobicContact CD2-CG2 4.05Å; F175-V177 HydrophobicContact CE2-CG2 4.05Å; V177-V181 HydrophobicContact CG1-CB 3.91Å; V177-V181 HydrophobicContact CG1-CG1 3.72Å; V177-I182 HydrophobicContact CG1-CG1 4.17Å; V177-F204 HydrophobicContact CG2-CE1 4.17Å; V177-I208 HydrophobicContact CB-CD1 4.33Å; V177-I208 HydrophobicContact CG1-CD1 3.67Å; V177-I208 HydrophobicContact CG2-CD1 3.64Å
178	S	72.6	Confident	78.5	Confident	3 Å²	3	37.5 Å²	37.5	2%	0.021	20%	0.204	C	C	.	.			trans	-82.9	139.4	166.2	60.4	0	0	0	0	111	M22 L23 R130 K131 Q180 V181 I182	M22-S178 VanDerWaalsContact CE-C 3.46Å; M22-S178 WeakPolarHBondContact CE-O 3.5Å; L23-S178 CarbonylContact O-C 3.53Å; L23-S178 WeakPolarHBondContact O-CB 3.42Å; R130-S178 VanDerWaalsContact O-CB 3.25Å; R130-S178 WeakPolarHBondContact O-CB 3.42Å; R130-S178 PolarHBondContact O-OG 3.36Å; K131-S178 PolarHBondContact O-N 3.44Å; K131-S178 PolarHBondContact O-OG 3.49Å; S178-Q180 PolarHBondContact O-N 3.3Å; S178-V181 WeakPolarHBondContact O-CA 3.22Å; S178-V181 WeakPolarHBondContact O-CB 3.27Å; S178-V181 PolarHBondContact O-N 2.89Å; S178-V181 VanDerWaalsContact OG-CG2 3.29Å; S178-V181 WeakPolarHBondContact OG-CG2 3.26Å; S178-V181 PolarHBondContact OG-N 2.88Å; S178-I182 PolarHBondContact O-N 3.16Å
179	L	65.1	Low	78	Confident	43 Å²	43	41.4 Å²	41.4	23%	0.225	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-34	174.9	-169.5	40.3	0	0	0	108.7	M22 L23 D24 V181 I182 L183	M22-L179 HydrophobicContact CB-CB 3.86Å; M22-L179 HydrophobicContact CB-CD1 3.98Å; M22-L179 HydrophobicContact CB-CD2 4.36Å; M22-L179 HydrophobicContact CB-CG 4.27Å; M22-L179 HydrophobicContact CG-CD1 4.31Å; M22-L179 HydrophobicContact SD-CD1 3.77Å; L23-L179 WeakPolarHBondContact O-CA 3.31Å; L23-L179 WeakPolarHBondContact O-CB 3.47Å; L23-L179 PolarHBondContact O-N 3.23Å; D24-L179 HydrophobicContact CB-CB 3.96Å; D24-L179 HydrophobicContact CB-CD2 3.97Å; D24-L179 HydrophobicContact CB-CG 4.1Å; L179-V181 PolarHBondContact O-N 3.41Å; L179-I182 PolarHBondContact O-N 3.1Å; L179-I182 VanDerWaalsContact O-N 3.16Å; L179-L183 HydrophobicContact CD1-CD1 4.29Å; L179-L183 HydrophobicContact CD1-CD2 4.08Å; L179-L183 HydrophobicContact CD1-CG 3.78Å; L179-L183 HydrophobicContact CG-CD1 3.91Å; L179-L183 HydrophobicContact CG-CG 3.94Å; L179-L183 VanDerWaalsContact O-CB 3.27Å; L179-L183 WeakPolarHBondContact O-CB 3.29Å; L179-L183 VanDerWaalsContact O-CG 3.22Å; L179-L183 WeakPolarHBondContact O-CG 3.1Å; L179-L183 PolarHBondContact O-N 2.91Å
180	Q	67.1	Low	77.4	Confident	83 Å²	83	43.4 Å²	43.4	39%	0.388	24%	0.237	S	C	.	.	H	α-helix	trans	-50.3	-44.3	167.6	-168.1	-169.8	7.1	0	0	111.9	L23 S178 S184	L23-Q180 PolarHBondContact O-N 2.76Å; S178-Q180 PolarHBondContact O-N 3.3Å; Q180-S184 VanDerWaalsContact O-CB 3.27Å; Q180-S184 WeakPolarHBondContact O-CB 3.29Å; Q180-S184 PolarHBondContact O-N 3.06Å; Q180-S184 PolarHBondContact O-OG 3.04Å
181	V	76.8	Confident	76.6	Confident	14 Å²	14	48 Å²	48	9%	0.085	26%	0.257	C	S	.	.	H	α-helix	trans	-65.3	-47.4	177	163.7	0	0	0	0	112	K131 V177 S178 L179 S184 N185 I208	K131-V181 HydrophobicContact CB-CG2 4.41Å; K131-V181 HydrophobicContact CG-CG2 4.17Å; V177-V181 HydrophobicContact CG1-CB 3.91Å; V177-V181 HydrophobicContact CG1-CG1 3.72Å; S178-V181 WeakPolarHBondContact O-CA 3.22Å; S178-V181 WeakPolarHBondContact O-CB 3.27Å; S178-V181 PolarHBondContact O-N 2.89Å; S178-V181 VanDerWaalsContact OG-CG2 3.29Å; S178-V181 WeakPolarHBondContact OG-CG2 3.26Å; S178-V181 PolarHBondContact OG-N 2.88Å; L179-V181 PolarHBondContact O-N 3.41Å; V181-S184 CarbonylContact O-C 3.36Å; V181-S184 WeakPolarHBondContact O-CB 3.27Å; V181-S184 PolarHBondContact O-N 2.91Å; V181-N185 WeakPolarHBondContact O-CB 3.18Å; V181-N185 PolarHBondContact O-N 3.45Å; V181-N185 PolarHBondContact O-OD1 2.6Å; V181-I208 HydrophobicContact CG1-CB 3.71Å; V181-I208 HydrophobicContact CG1-CD1 4.32Å; V181-I208 HydrophobicContact CG1-CG1 4.5Å; V181-I208 HydrophobicContact CG1-CG2 4.33Å
182	I	75.8	Confident	75.4	Confident	31 Å²	31	58 Å²	58	16%	0.159	29%	0.292	C	S	.	.	H	α-helix	trans	-76.1	-30.8	179.8	-72.2	-74.2	0	0	0	113.7	M22 V177 S178 L179 S184 N185 A188 F204 I208	M22-I182 HydrophobicContact CE-CB 3.48Å; M22-I182 VanDerWaalsContact CE-CB 3.48Å; M22-I182 HydrophobicContact CE-CG1 3.26Å; M22-I182 HydrophobicContact CE-CG2 4.45Å; M22-I182 HydrophobicContact SD-CB 3.37Å; M22-I182 WeakPolarHBondContact SD-CB 3.48Å; M22-I182 HydrophobicContact SD-CG1 3.52Å; M22-I182 VanDerWaalsContact SD-CG1 3.52Å; M22-I182 HydrophobicContact SD-CG2 3.71Å; V177-I182 HydrophobicContact CG1-CG1 4.17Å; S178-I182 PolarHBondContact O-N 3.16Å; L179-I182 PolarHBondContact O-N 3.1Å; L179-I182 VanDerWaalsContact O-N 3.16Å; I182-S184 PolarHBondContact O-N 2.78Å; I182-N185 CarbonylContact O-C 3.43Å; I182-N185 PolarHBondContact O-N 3.38Å; I182-A188 HydrophobicContact CD1-CB 3.86Å; I182-F204 HydrophobicContact CD1-CE2 3.71Å; I182-F204 HydrophobicContact CD1-CZ 3.62Å; I182-F204 HydrophobicContact CG1-CZ 4.3Å; I182-I208 HydrophobicContact CD1-CD1 4.48Å; I182-I208 HydrophobicContact CD1-CG2 3.75Å
183	L	74.4	Confident	74.5	Confident	106 Å²	106	69 Å²	69	56%	0.555	33%	0.334	S	S	*	.	H	α-helix	trans	-62.2	-33.7	168.5	-67.7	178.9	0	0	0	110.9	L179	L179-L183 HydrophobicContact CD1-CD1 4.29Å; L179-L183 HydrophobicContact CD1-CD2 4.08Å; L179-L183 HydrophobicContact CD1-CG 3.78Å; L179-L183 HydrophobicContact CG-CD1 3.91Å; L179-L183 HydrophobicContact CG-CG 3.94Å; L179-L183 VanDerWaalsContact O-CB 3.27Å; L179-L183 WeakPolarHBondContact O-CB 3.29Å; L179-L183 VanDerWaalsContact O-CG 3.22Å; L179-L183 WeakPolarHBondContact O-CG 3.1Å; L179-L183 PolarHBondContact O-N 2.91Å
184	S	81.1	Confident	73.9	Confident	82 Å²	82	72.6 Å²	72.6	57%	0.573	37%	0.372	S	S	*	.	H	α-helix	trans	-75.7	-24.6	171.4	-56	0	0	0	0	113.2	Q180 V181 I182 P186	Q180-S184 VanDerWaalsContact O-CB 3.27Å; Q180-S184 WeakPolarHBondContact O-CB 3.29Å; Q180-S184 PolarHBondContact O-N 3.06Å; Q180-S184 PolarHBondContact O-OG 3.04Å; V181-S184 CarbonylContact O-C 3.36Å; V181-S184 WeakPolarHBondContact O-CB 3.27Å; V181-S184 PolarHBondContact O-N 2.91Å; I182-S184 PolarHBondContact O-N 2.78Å; S184-P186 VanDerWaalsContact O-CD 3.26Å; S184-P186 WeakPolarHBondContact O-CD 3.31Å
185	N	84.6	Confident	73.5	Confident	56 Å²	56	73.8 Å²	73.8	30%	0.299	38%	0.38	S	S	.	.			trans	-118.1	57.8	-178.1	-65.7	73	0	0	0	111.9	V181 I182 K187 A188 Q207 I208	V181-N185 WeakPolarHBondContact O-CB 3.18Å; V181-N185 PolarHBondContact O-N 3.45Å; V181-N185 PolarHBondContact O-OD1 2.6Å; I182-N185 CarbonylContact O-C 3.43Å; I182-N185 PolarHBondContact O-N 3.38Å; N185-K187 PolarHBondContact O-N 2.87Å; N185-A188 HydrophobicContact CB-CB 4.06Å; N185-A188 VanDerWaalsContact O-CB 3.25Å; N185-A188 WeakPolarHBondContact O-CB 3.4Å; N185-A188 PolarHBondContact O-N 2.94Å; N185-Q207 PolarHBondContact ND2-O 3.38Å; N185-I208 HydrophobicContact CB-CG2 3.83Å
186	P	81.9	Confident	73	Confident	107 Å²	107	79.1 Å²	79.1	70%	0.695	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.2	-170.1	28.9	-37.8	0	0	0	114.8	S184	S184-P186 VanDerWaalsContact O-CD 3.26Å; S184-P186 WeakPolarHBondContact O-CD 3.31Å
187	K	83.4	Confident	72.9	Confident	188 Å²	188	84.2 Å²	84.2	82%	0.817	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-8.3	173.3	-63.9	-179	-179.2	177	0	113.1	N185 V189	N185-K187 PolarHBondContact O-N 2.87Å; K187-V189 PolarHBondContact O-N 3.33Å
188	A	80	Confident	72.8	Confident	12 Å²	12	85.5 Å²	85.5	10%	0.099	45%	0.452	C	S	.	.			trans	-76.3	109.7	-176.6	0	0	0	0	0	111.1	I182 N185 F204 Q207 I208	I182-A188 HydrophobicContact CD1-CB 3.86Å; N185-A188 HydrophobicContact CB-CB 4.06Å; N185-A188 VanDerWaalsContact O-CB 3.25Å; N185-A188 WeakPolarHBondContact O-CB 3.4Å; N185-A188 PolarHBondContact O-N 2.94Å; A188-F204 HydrophobicContact CB-CE2 4.42Å; A188-Q207 HydrophobicContact CB-CB 3.88Å; A188-I208 HydrophobicContact CB-CG2 3.45Å; A188-I208 VanDerWaalsContact CB-CG2 3.45Å
189	V	79.5	Confident	73.2	Confident	88 Å²	88	86.2 Å²	86.2	53%	0.533	46%	0.455	S	S	.	.			trans	-136.4	157.4	-178.2	-62.7	0	0	0	0	111.7	K187 Q207	K187-V189 PolarHBondContact O-N 3.33Å; V189-Q207 PolarHBondContact O-NE2 2.85Å; V189-Q207 VanDerWaalsContact O-NE2 3.13Å
190	F	76.4	Confident	73.9	Confident	45 Å²	45	86.5 Å²	86.5	20%	0.197	46%	0.455	C	S	.	.			trans	-72.7	124.5	172.5	-71.8	-89.1	0	0	0	110.9	I20 M172 F175 R192 Q200 F204	I20-F190 HydrophobicContact CD1-CD2 3.65Å; I20-F190 HydrophobicContact CD1-CE2 3.2Å; I20-F190 HydrophobicContact CD1-CZ 3.96Å; I20-F190 HydrophobicContact CG1-CD2 4.28Å; I20-F190 HydrophobicContact CG1-CE2 3.37Å; I20-F190 HydrophobicContact CG1-CZ 3.65Å; I20-F190 HydrophobicContact CG2-CE2 4.44Å; M172-F190 HydrophobicContact CE-CD1 3.84Å; M172-F190 HydrophobicContact CE-CE1 3.24Å; M172-F190 HydrophobicContact CE-CZ 3.93Å; M172-F190 HydrophobicContact SD-CE1 3.6Å; M172-F190 VanDerWaalsContact SD-CE1 3.6Å; M172-F190 HydrophobicContact SD-CZ 3.68Å; F175-F190 HydrophobicContact CZ-CZ 4.46Å; F190-R192 PolarHBondContact O-N 3.42Å; F190-Q200 HydrophobicContact CD1-CB 4.28Å; F190-Q200 WeakPolarHBondContact CD1-O 3.18Å; F190-F204 HydrophobicContact CD1-CB 3.72Å; F190-F204 HydrophobicContact CD1-CG 4.19Å; F190-F204 HydrophobicContact CD2-CB 4.42Å; F190-F204 AromaticContact CD2-CD2 3.81Å; F190-F204 HydrophobicContact CD2-CD2 3.81Å; F190-F204 HydrophobicContact CD2-CE2 4.19Å; F190-F204 HydrophobicContact CD2-CG 4.1Å; F190-F204 HydrophobicContact CE1-CB 3.33Å; F190-F204 AromaticContact CE1-CD1 3.86Å; F190-F204 HydrophobicContact CE1-CD1 3.86Å; F190-F204 HydrophobicContact CE1-CD2 4.28Å; F190-F204 AromaticContact CE1-CG 3.58Å; F190-F204 HydrophobicContact CE1-CG 3.58Å; F190-F204 HydrophobicContact CE2-CB 4.07Å; F190-F204 AromaticContact CE2-CD1 3.71Å; F190-F204 HydrophobicContact CE2-CD1 3.71Å; F190-F204 AromaticContact CE2-CD2 3.39Å; F190-F204 HydrophobicContact CE2-CD2 3.39Å; F190-F204 AromaticContact CE2-CE1 3.87Å; F190-F204 HydrophobicContact CE2-CE1 3.87Å; F190-F204 AromaticContact CE2-CE2 3.58Å; F190-F204 HydrophobicContact CE2-CE2 3.58Å; F190-F204 AromaticContact CE2-CG 3.44Å; F190-F204 HydrophobicContact CE2-CG 3.44Å; F190-F204 VanDerWaalsContact CE2-CG 3.44Å; F190-F204 AromaticContact CE2-CZ 3.8Å; F190-F204 HydrophobicContact CE2-CZ 3.8Å; F190-F204 HydrophobicContact CG-CB 4.27Å; F190-F204 HydrophobicContact CG-CD2 4.4Å; F190-F204 HydrophobicContact CG-CG 4.43Å; F190-F204 HydrophobicContact CZ-CB 3.55Å; F190-F204 AromaticContact CZ-CD1 3.19Å; F190-F204 HydrophobicContact CZ-CD1 3.19Å; F190-F204 AromaticContact CZ-CD2 3.7Å; F190-F204 HydrophobicContact CZ-CD2 3.7Å; F190-F204 AromaticContact CZ-CE1 3.68Å; F190-F204 HydrophobicContact CZ-CE1 3.68Å; F190-F204 HydrophobicContact CZ-CE2 4.13Å; F190-F204 AromaticContact CZ-CG 3.18Å; F190-F204 HydrophobicContact CZ-CG 3.18Å; F190-F204 HydrophobicContact CZ-CZ 4.1Å
191	K	68.4	Low	74.7	Confident	105 Å²	105	83.4 Å²	83.4	46%	0.457	44%	0.441	S	S	.	.			trans	-83.4	98.9	-177.3	-67.4	-178.3	-179.8	176.6	0	111	S195	K191-S195 VanDerWaalsContact O-CB 3.28Å; K191-S195 WeakPolarHBondContact O-CB 3.42Å
192	R	60.5	Low	75.1	Confident	236 Å²	236	82.8 Å²	82.8	89%	0.891	44%	0.437	S	S	*	.			trans	-72.1	-27.6	177.6	-168	176.7	-177.9	-168.8	2.2	114.1	F190	F190-R192 PolarHBondContact O-N 3.42Å
193	R	59	Low	75.6	Confident	236 Å²	236	82.6 Å²	82.6	89%	0.891	44%	0.436	S	S	*	.	S	Bend	trans	-112.2	136.3	176.9	-68.1	-176.4	177.6	178.4	-0.2	109.7	S195	R193-S195 VanDerWaalsContact C-N 3.29Å; R193-S195 PolarHBondContact O-N 3.13Å
194	G	62.7	Low	76.2	Confident	89 Å²	89	77.8 Å²	77.8	92%	0.918	41%	0.411	S	S	*	.	S	Bend	trans	81	-10.2	175.8	0	0	0	0	0	116.4
195	S	66.8	Low	76.4	Confident	26 Å²	26	73.9 Å²	73.9	18%	0.182	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-74.9	135.8	168.4	-166.6	0	0	0	0	109.5	K191 R193 M199 D203	K191-S195 VanDerWaalsContact O-CB 3.28Å; K191-S195 WeakPolarHBondContact O-CB 3.42Å; R193-S195 VanDerWaalsContact C-N 3.29Å; R193-S195 PolarHBondContact O-N 3.13Å; S195-M199 WeakPolarHBondContact OG-CB 3.42Å; S195-D203 WeakPolarHBondContact CB-OD2 3.02Å; S195-D203 PolarHBondContact OG-OD2 3.17Å
196	Q	72.6	Confident	76.7	Confident	112 Å²	112	76.3 Å²	76.3	52%	0.523	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-65.9	157	172.4	-63.3	177.1	-13.4	0	0	109.6	G198 M199	Q196-G198 PolarHBondContact O-N 2.86Å; Q196-M199 HydrophobicContact CB-CB 4.36Å; Q196-M199 HydrophobicContact CB-CG 3.78Å; Q196-M199 WeakPolarHBondContact O-CB 3.46Å; Q196-M199 PolarHBondContact O-N 2.81Å; Q196-M199 VanDerWaalsContact O-N 3.11Å
197	P	70.1	Confident	77	Confident	106 Å²	106	74 Å²	74	69%	0.688	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.2	136.7	169.2	-28.2	36.1	0	0	0	111.2	W162 M199	W162-P197 VanDerWaalsContact CH2-O 3.28Å; W162-P197 WeakPolarHBondContact CH2-O 3.3Å; P197-M199 PolarHBondContact O-N 2.84Å; P197-M199 VanDerWaalsContact O-N 3.15Å
198	G	69.3	Low	77.2	Confident	28 Å²	28	65.7 Å²	65.7	29%	0.289	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	22.7	180	0	0	0	0	0	116.5	R166 Q196	R166-G198 VanDerWaalsContact CD-O 3.31Å; R166-G198 WeakPolarHBondContact CD-O 3.21Å; R166-G198 PolarHBondContact NH1-O 3.09Å; Q196-G198 PolarHBondContact O-N 2.86Å
199	M	81.1	Confident	77.8	Confident	18 Å²	18	65.6 Å²	65.6	9%	0.089	33%	0.334	C	S	.	.			trans	-101	-4.7	169.2	-72.7	-61.8	-62.4	0	0	113.6	R166 S195 Q196 P197 E201 S202 D203	R166-M199 HydrophobicContact CB-SD 4.46Å; R166-M199 HydrophobicContact CG-SD 3.56Å; R166-M199 VanDerWaalsContact CG-SD 3.56Å; S195-M199 WeakPolarHBondContact OG-CB 3.42Å; Q196-M199 HydrophobicContact CB-CB 4.36Å; Q196-M199 HydrophobicContact CB-CG 3.78Å; Q196-M199 WeakPolarHBondContact O-CB 3.46Å; Q196-M199 PolarHBondContact O-N 2.81Å; Q196-M199 VanDerWaalsContact O-N 3.11Å; P197-M199 PolarHBondContact O-N 2.84Å; P197-M199 VanDerWaalsContact O-N 3.15Å; M199-E201 PolarHBondContact O-N 3.15Å; M199-S202 PolarHBondContact O-N 2.89Å; M199-D203 WeakPolarHBondContact O-CB 3.47Å; M199-D203 PolarHBondContact O-N 3.5Å
200	Q	80	Confident	78.5	Confident	48 Å²	48	64.5 Å²	64.5	22%	0.224	33%	0.327	C	S	.	.	H	α-helix	trans	-61.4	-42.2	-171.6	-68.2	-171	9.3	0	0	112.8	F190 F204	F190-Q200 HydrophobicContact CD1-CB 4.28Å; F190-Q200 WeakPolarHBondContact CD1-O 3.18Å; Q200-F204 WeakPolarHBondContact O-CB 3.43Å; Q200-F204 PolarHBondContact O-N 2.67Å; Q200-F204 VanDerWaalsContact O-N 3.11Å
201	E	84	Confident	79.3	Confident	19 Å²	19	63.8 Å²	63.8	9%	0.089	33%	0.326	C	S	.	.	H	α-helix	trans	-62	-51.2	175.4	-59.3	72.3	-161.9	0	0	110.3	I170 M172 F175 M199 D203 F204 L205	I170-E201 WeakPolarHBondContact O-CG 3.28Å; M172-E201 HydrophobicContact CB-CG 4.33Å; M172-E201 HydrophobicContact CE-CG 3.64Å; M172-E201 WeakPolarHBondContact CE-OE1 3.2Å; M172-E201 HydrophobicContact SD-CG 3.99Å; F175-E201 HydrophobicContact CE1-CB 4.33Å; F175-E201 HydrophobicContact CE1-CG 4.32Å; M199-E201 PolarHBondContact O-N 3.15Å; E201-D203 PolarHBondContact O-N 3.08Å; E201-F204 PolarHBondContact O-N 3.37Å; E201-L205 WeakPolarHBondContact O-CB 3.3Å; E201-L205 VanDerWaalsContact O-CG 3.3Å; E201-L205 WeakPolarHBondContact O-CG 3.14Å; E201-L205 PolarHBondContact O-N 3.21Å
202	S	85.9	Confident	80.4	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-61.9	-43.1	178.4	-92.1	0	0	0	0	113.1	F168 M199 F204 K206	F168-S202 VanDerWaalsContact C-OG 3.31Å; F168-S202 WeakPolarHBondContact CA-OG 3.47Å; F168-S202 PolarHBondContact N-OG 2.99Å; F168-S202 VanDerWaalsContact N-OG 3.07Å; F168-S202 PolarHBondContact O-OG 3.35Å; M199-S202 PolarHBondContact O-N 2.89Å; S202-F204 VanDerWaalsContact C-N 3.31Å; S202-F204 PolarHBondContact O-N 3.34Å; S202-K206 WeakPolarHBondContact O-CB 3.16Å; S202-K206 WeakPolarHBondContact O-CD 3.4Å; S202-K206 WeakPolarHBondContact O-CG 3.45Å; S202-K206 PolarHBondContact O-N 2.78Å
203	D	85.3	Confident	81.9	Confident	28 Å²	28	56.5 Å²	56.5	15%	0.15	30%	0.304	C	S	.	.	H	α-helix	trans	-68.5	-32	-179.5	-74	-19.6	0	0	0	111.7	S195 M199 E201 K206 Q207	S195-D203 WeakPolarHBondContact CB-OD2 3.02Å; S195-D203 PolarHBondContact OG-OD2 3.17Å; M199-D203 WeakPolarHBondContact O-CB 3.47Å; M199-D203 PolarHBondContact O-N 3.5Å; E201-D203 PolarHBondContact O-N 3.08Å; D203-K206 IonicContact OD1-NZ 3.26Å; D203-Q207 WeakPolarHBondContact O-CG 3.35Å; D203-Q207 PolarHBondContact O-NE2 3.36Å
204	F	86.7	Confident	83.5	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-73.7	-53.8	172.4	174.1	-105.6	0	0	0	112.3	I20 F175 V177 I182 A188 F190 Q200 E201 S202 K206 Q207 I208	I20-F204 HydrophobicContact CG2-CZ 4.29Å; F175-F204 HydrophobicContact CE2-CD1 4.29Å; F175-F204 HydrophobicContact CE2-CE1 4.1Å; F175-F204 HydrophobicContact CZ-CD1 4.24Å; F175-F204 HydrophobicContact CZ-CE1 4.46Å; V177-F204 HydrophobicContact CG2-CE1 4.17Å; I182-F204 HydrophobicContact CD1-CE2 3.71Å; I182-F204 HydrophobicContact CD1-CZ 3.62Å; I182-F204 HydrophobicContact CG1-CZ 4.3Å; A188-F204 HydrophobicContact CB-CE2 4.42Å; F190-F204 HydrophobicContact CD1-CB 3.72Å; F190-F204 HydrophobicContact CD1-CG 4.19Å; F190-F204 HydrophobicContact CD2-CB 4.42Å; F190-F204 AromaticContact CD2-CD2 3.81Å; F190-F204 HydrophobicContact CD2-CD2 3.81Å; F190-F204 HydrophobicContact CD2-CE2 4.19Å; F190-F204 HydrophobicContact CD2-CG 4.1Å; F190-F204 HydrophobicContact CE1-CB 3.33Å; F190-F204 AromaticContact CE1-CD1 3.86Å; F190-F204 HydrophobicContact CE1-CD1 3.86Å; F190-F204 HydrophobicContact CE1-CD2 4.28Å; F190-F204 AromaticContact CE1-CG 3.58Å; F190-F204 HydrophobicContact CE1-CG 3.58Å; F190-F204 HydrophobicContact CE2-CB 4.07Å; F190-F204 AromaticContact CE2-CD1 3.71Å; F190-F204 HydrophobicContact CE2-CD1 3.71Å; F190-F204 AromaticContact CE2-CD2 3.39Å; F190-F204 HydrophobicContact CE2-CD2 3.39Å; F190-F204 AromaticContact CE2-CE1 3.87Å; F190-F204 HydrophobicContact CE2-CE1 3.87Å; F190-F204 AromaticContact CE2-CE2 3.58Å; F190-F204 HydrophobicContact CE2-CE2 3.58Å; F190-F204 AromaticContact CE2-CG 3.44Å; F190-F204 HydrophobicContact CE2-CG 3.44Å; F190-F204 VanDerWaalsContact CE2-CG 3.44Å; F190-F204 AromaticContact CE2-CZ 3.8Å; F190-F204 HydrophobicContact CE2-CZ 3.8Å; F190-F204 HydrophobicContact CG-CB 4.27Å; F190-F204 HydrophobicContact CG-CD2 4.4Å; F190-F204 HydrophobicContact CG-CG 4.43Å; F190-F204 HydrophobicContact CZ-CB 3.55Å; F190-F204 AromaticContact CZ-CD1 3.19Å; F190-F204 HydrophobicContact CZ-CD1 3.19Å; F190-F204 AromaticContact CZ-CD2 3.7Å; F190-F204 HydrophobicContact CZ-CD2 3.7Å; F190-F204 AromaticContact CZ-CE1 3.68Å; F190-F204 HydrophobicContact CZ-CE1 3.68Å; F190-F204 HydrophobicContact CZ-CE2 4.13Å; F190-F204 AromaticContact CZ-CG 3.18Å; F190-F204 HydrophobicContact CZ-CG 3.18Å; F190-F204 HydrophobicContact CZ-CZ 4.1Å; Q200-F204 WeakPolarHBondContact O-CB 3.43Å; Q200-F204 PolarHBondContact O-N 2.67Å; Q200-F204 VanDerWaalsContact O-N 3.11Å; E201-F204 PolarHBondContact O-N 3.37Å; S202-F204 VanDerWaalsContact C-N 3.31Å; S202-F204 PolarHBondContact O-N 3.34Å; F204-K206 VanDerWaalsContact C-N 3.3Å; F204-K206 PolarHBondContact O-N 3.49Å; F204-Q207 WeakPolarHBondContact O-CB 3.44Å; F204-Q207 PolarHBondContact O-N 2.68Å; F204-I208 HydrophobicContact CD1-CD1 4.23Å; F204-I208 HydrophobicContact CE1-CD1 3.65Å; F204-I208 HydrophobicContact CZ-CD1 3.94Å
205	L	85.9	Confident	84.7	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.9	-37.3	-174.3	-71.9	174.2	0	0	0	112.7	V132 F168 I170 F175 E201 Q207 I208 T209	V132-L205 HydrophobicContact CG1-CD2 4Å; F168-L205 HydrophobicContact CB-CB 4.29Å; F168-L205 HydrophobicContact CB-CD1 3.66Å; F168-L205 HydrophobicContact CD1-CB 4.01Å; F168-L205 HydrophobicContact CD1-CD1 3.89Å; F168-L205 HydrophobicContact CD2-CB 3.61Å; F168-L205 HydrophobicContact CE1-CB 4.22Å; F168-L205 HydrophobicContact CE2-CB 3.83Å; F168-L205 HydrophobicContact CG-CB 3.71Å; F168-L205 HydrophobicContact CG-CD1 3.78Å; F168-L205 HydrophobicContact CG-CG 4.4Å; F168-L205 HydrophobicContact CZ-CB 4.13Å; I170-L205 HydrophobicContact CG2-CD1 4.06Å; F175-L205 HydrophobicContact CD1-CD1 4.17Å; F175-L205 HydrophobicContact CD2-CD2 3.88Å; F175-L205 HydrophobicContact CE1-CD1 4.09Å; F175-L205 HydrophobicContact CE1-CG 4.46Å; F175-L205 HydrophobicContact CE2-CD2 3.72Å; F175-L205 HydrophobicContact CE2-CG 4.37Å; F175-L205 HydrophobicContact CG-CD1 4.46Å; F175-L205 HydrophobicContact CG-CD2 4.4Å; F175-L205 HydrophobicContact CZ-CD1 4.33Å; F175-L205 HydrophobicContact CZ-CD2 4.07Å; F175-L205 HydrophobicContact CZ-CG 4.22Å; E201-L205 WeakPolarHBondContact O-CB 3.3Å; E201-L205 VanDerWaalsContact O-CG 3.3Å; E201-L205 WeakPolarHBondContact O-CG 3.14Å; E201-L205 PolarHBondContact O-N 3.21Å; L205-Q207 PolarHBondContact O-N 3.26Å; L205-Q207 VanDerWaalsContact O-N 3.12Å; L205-I208 HydrophobicContact CD2-CD1 4.17Å; L205-I208 VanDerWaalsContact O-CG1 3.28Å; L205-I208 WeakPolarHBondContact O-CG1 3.13Å; L205-I208 PolarHBondContact O-N 2.9Å; L205-I208 VanDerWaalsContact O-N 3.1Å; L205-T209 PolarHBondContact O-N 3.35Å
206	K	91.6	Very high	85.8	Confident	107 Å²	107	42.7 Å²	42.7	47%	0.465	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-27.6	171.7	-79.5	172.6	-173.2	174.1	0	114.9	P167 F168 S202 D203 F204 I208	P167-K206 HydrophobicContact CG-CD 4.47Å; F168-K206 HydrophobicContact CD2-CG 4.33Å; F168-K206 HydrophobicContact CE2-CG 3.98Å; S202-K206 WeakPolarHBondContact O-CB 3.16Å; S202-K206 WeakPolarHBondContact O-CD 3.4Å; S202-K206 WeakPolarHBondContact O-CG 3.45Å; S202-K206 PolarHBondContact O-N 2.78Å; D203-K206 IonicContact OD1-NZ 3.26Å; F204-K206 VanDerWaalsContact C-N 3.3Å; F204-K206 PolarHBondContact O-N 3.49Å; K206-I208 VanDerWaalsContact C-N 3.28Å
207	Q	88.5	Confident	86.2	Confident	59 Å²	59	39.7 Å²	39.7	28%	0.276	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.8	-176.3	-63.7	172.3	75.6	0	0	112.5	N185 A188 V189 D203 F204 L205	N185-Q207 PolarHBondContact ND2-O 3.38Å; A188-Q207 HydrophobicContact CB-CB 3.88Å; V189-Q207 PolarHBondContact O-NE2 2.85Å; V189-Q207 VanDerWaalsContact O-NE2 3.13Å; D203-Q207 WeakPolarHBondContact O-CG 3.35Å; D203-Q207 PolarHBondContact O-NE2 3.36Å; F204-Q207 WeakPolarHBondContact O-CB 3.44Å; F204-Q207 PolarHBondContact O-N 2.68Å; L205-Q207 PolarHBondContact O-N 3.26Å; L205-Q207 VanDerWaalsContact O-N 3.12Å
208	I	86.6	Confident	86.3	Confident	14 Å²	14	35.2 Å²	35.2	7%	0.072	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.7	-17.8	-165.7	63	164.3	0	0	0	115.4	V132 V177 V181 I182 N185 A188 F204 L205 K206	V132-I208 HydrophobicContact CG2-CD1 4.21Å; V177-I208 HydrophobicContact CB-CD1 4.33Å; V177-I208 HydrophobicContact CG1-CD1 3.67Å; V177-I208 HydrophobicContact CG2-CD1 3.64Å; V181-I208 HydrophobicContact CG1-CB 3.71Å; V181-I208 HydrophobicContact CG1-CD1 4.32Å; V181-I208 HydrophobicContact CG1-CG1 4.5Å; V181-I208 HydrophobicContact CG1-CG2 4.33Å; I182-I208 HydrophobicContact CD1-CD1 4.48Å; I182-I208 HydrophobicContact CD1-CG2 3.75Å; N185-I208 HydrophobicContact CB-CG2 3.83Å; A188-I208 HydrophobicContact CB-CG2 3.45Å; A188-I208 VanDerWaalsContact CB-CG2 3.45Å; F204-I208 HydrophobicContact CD1-CD1 4.23Å; F204-I208 HydrophobicContact CE1-CD1 3.65Å; F204-I208 HydrophobicContact CZ-CD1 3.94Å; L205-I208 HydrophobicContact CD2-CD1 4.17Å; L205-I208 VanDerWaalsContact O-CG1 3.28Å; L205-I208 WeakPolarHBondContact O-CG1 3.13Å; L205-I208 PolarHBondContact O-N 2.9Å; L205-I208 VanDerWaalsContact O-N 3.1Å; K206-I208 VanDerWaalsContact C-N 3.28Å
209	T	93.1	Very high	86.9	Confident	9 Å²	9	38.9 Å²	38.9	6%	0.055	20%	0.195	C	C	.	.			trans	-159.3	171.1	-178.7	-157.1	0	0	0	0	112.1	V132 F168 L205 E213 L214	V132-T209 HydrophobicContact CB-CG2 3.97Å; V132-T209 HydrophobicContact CG1-CG2 4.27Å; V132-T209 HydrophobicContact CG2-CG2 3.66Å; F168-T209 HydrophobicContact CE1-CG2 4.07Å; F168-T209 HydrophobicContact CZ-CG2 4.09Å; L205-T209 PolarHBondContact O-N 3.35Å; T209-E213 WeakPolarHBondContact OG1-CB 3.25Å; T209-E213 PolarHBondContact OG1-OE2 2.86Å; T209-L214 HydrophobicContact CG2-CD2 3.9Å
210	T	94.2	Very high	87.2	Confident	66 Å²	66	42.4 Å²	42.4	41%	0.405	22%	0.215	S	C	.	.			trans	-117.4	168.9	170.3	74.4	0	0	0	0	110.5	E212 E213	T210-E212 VanDerWaalsContact C-N 3.25Å; T210-E212 WeakPolarHBondContact CB-OE2 3.29Å; T210-E212 PolarHBondContact O-N 3.01Å; T210-E212 PolarHBondContact OG1-OE2 2.93Å; T210-E213 PolarHBondContact O-N 2.78Å
211	V	92.4	Very high	87.6	Confident	29 Å²	29	40.1 Å²	40.1	18%	0.176	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-65.3	-32.9	-175.2	-179.8	0	0	0	0	111.5	V155 F168 E213 L214	V155-V211 HydrophobicContact CB-CG1 4.05Å; V155-V211 HydrophobicContact CG1-CG1 3.89Å; F168-V211 HydrophobicContact CD1-CG2 4.41Å; F168-V211 HydrophobicContact CE1-CG2 3.95Å; F168-V211 HydrophobicContact CZ-CG2 4.21Å; V211-E213 VanDerWaalsContact C-N 3.27Å; V211-E213 PolarHBondContact O-N 3.16Å; V211-L214 HydrophobicContact CG1-CD1 4.29Å; V211-L214 WeakPolarHBondContact O-CB 3.28Å; V211-L214 WeakPolarHBondContact O-CG 3.44Å; V211-L214 PolarHBondContact O-N 2.79Å
212	E	92.1	Very high	87.7	Confident	117 Å²	117	44.2 Å²	44.2	55%	0.547	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-73.4	-21.3	-178.6	-48.5	70.1	-148.1	0	0	112.2	K154 T210	K154-E212 PolarHBondContact NZ-O 3.46Å; T210-E212 VanDerWaalsContact C-N 3.25Å; T210-E212 WeakPolarHBondContact CB-OE2 3.29Å; T210-E212 PolarHBondContact O-N 3.01Å; T210-E212 PolarHBondContact OG1-OE2 2.93Å
213	E	92.3	Very high	86.8	Confident	72 Å²	72	49.4 Å²	49.4	34%	0.336	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-87.4	-9.9	177.1	-66.2	-165.9	146.2	0	0	113.5	K131 T209 T210 V211 E215	K131-E213 HydrophobicContact CD-CB 4.25Å; K131-E213 HydrophobicContact CD-CG 4.44Å; K131-E213 WeakPolarHBondContact CD-OE2 3.29Å; K131-E213 IonicContact NZ-OE1 3.88Å; K131-E213 PolarHBondContact NZ-OE1 2.9Å; K131-E213 IonicContact NZ-OE2 3.08Å; K131-E213 PolarHBondContact NZ-OE2 3.25Å; T209-E213 WeakPolarHBondContact OG1-CB 3.25Å; T209-E213 PolarHBondContact OG1-OE2 2.86Å; T210-E213 PolarHBondContact O-N 2.78Å; V211-E213 VanDerWaalsContact C-N 3.27Å; V211-E213 PolarHBondContact O-N 3.16Å; E213-E215 PolarHBondContact O-N 2.62Å
214	L	92.3	Very high	86.2	Confident	3 Å²	3	50 Å²	50	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	133.4	178.9	-61.4	179.1	0	0	0	111.6	V132 V134 V155 W158 F168 T209 V211 P216	V132-L214 HydrophobicContact CB-CD2 3.88Å; V132-L214 HydrophobicContact CG1-CD2 3.6Å; V132-L214 CarbonylContact O-C 3.5Å; V132-L214 WeakPolarHBondContact O-CA 2.88Å; V134-L214 HydrophobicContact CG1-CD1 4.2Å; V134-L214 HydrophobicContact CG1-CD2 4.1Å; V134-L214 HydrophobicContact CG2-CB 4.23Å; V134-L214 HydrophobicContact CG2-CD1 4.49Å; V155-L214 HydrophobicContact CB-CB 4.33Å; V155-L214 HydrophobicContact CB-CD1 4.15Å; V155-L214 HydrophobicContact CG1-CD1 4.18Å; V155-L214 HydrophobicContact CG2-CB 3.74Å; V155-L214 HydrophobicContact CG2-CD1 4.06Å; W158-L214 HydrophobicContact CH2-CD1 3.61Å; W158-L214 HydrophobicContact CZ2-CD1 3.92Å; F168-L214 HydrophobicContact CD1-CD1 4.07Å; F168-L214 HydrophobicContact CE1-CD1 3.99Å; F168-L214 HydrophobicContact CE1-CD2 4.1Å; F168-L214 HydrophobicContact CE1-CG 4.29Å; T209-L214 HydrophobicContact CG2-CD2 3.9Å; V211-L214 HydrophobicContact CG1-CD1 4.29Å; V211-L214 WeakPolarHBondContact O-CB 3.28Å; V211-L214 WeakPolarHBondContact O-CG 3.44Å; V211-L214 PolarHBondContact O-N 2.79Å; L214-P216 VanDerWaalsContact O-CD 3.24Å; L214-P216 WeakPolarHBondContact O-CD 3.46Å
215	E	88.6	Confident	85.3	Confident	35 Å²	35	54.6 Å²	54.6	16%	0.164	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	103.6	175.9	-63.7	168.7	-133.3	0	0	110.4	T129 R130 K131 V132 S133 V134 E213 K217	T129-E215 WeakPolarHBondContact CA-OE2 3.44Å; R130-E215 VanDerWaalsContact CA-OE1 3.31Å; R130-E215 WeakPolarHBondContact CA-OE1 3.43Å; R130-E215 WeakPolarHBondContact CB-OE1 3.09Å; R130-E215 PolarHBondContact N-OE1 3.15Å; R130-E215 PolarHBondContact N-OE2 3.33Å; K131-E215 PolarHBondContact N-OE1 3.11Å; V132-E215 PolarHBondContact O-N 2.98Å; S133-E215 CarbonylContact C-O 3.57Å; S133-E215 VanDerWaalsContact CA-O 3.22Å; S133-E215 WeakPolarHBondContact CA-O 3.38Å; V134-E215 PolarHBondContact N-O 2.97Å; E213-E215 PolarHBondContact O-N 2.62Å; E215-K217 PolarHBondContact O-N 2.63Å; E215-K217 WeakPolarHBondContact OE2-CE 3.43Å; E215-K217 IonicContact OE2-NZ 2.7Å; E215-K217 PolarHBondContact OE2-NZ 3.34Å
216	P	89.1	Confident	84.4	Confident	23 Å²	23	56.6 Å²	56.6	15%	0.149	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.7	175.1	28.2	-34.3	0	0	0	110.5	V150 G153 L214	V150-P216 HydrophobicContact CB-CB 4.46Å; V150-P216 HydrophobicContact CG1-CB 3.93Å; V150-P216 HydrophobicContact CG1-CG 3.79Å; V150-P216 HydrophobicContact CG2-CB 3.63Å; V150-P216 HydrophobicContact CG2-CG 4.34Å; G153-P216 WeakPolarHBondContact O-CD 3.27Å; G153-P216 VanDerWaalsContact O-CG 3.3Å; G153-P216 WeakPolarHBondContact O-CG 3.38Å; L214-P216 VanDerWaalsContact O-CD 3.24Å; L214-P216 WeakPolarHBondContact O-CD 3.46Å
217	K	80.2	Confident	83.6	Confident	48 Å²	48	58.1 Å²	58.1	21%	0.209	30%	0.297	C	S	.	.			trans	-106.8	-164.3	174.3	-52.3	-65.8	179.1	178.9	0	109.7	T128 V134 W135 E215 N219 N220 C221	T128-K217 PolarHBondContact O-NZ 3.27Å; T128-K217 PolarHBondContact OG1-NZ 3.24Å; V134-K217 PolarHBondContact O-N 3.11Å; W135-K217 HydrophobicContact CE3-CB 4.24Å; W135-K217 HydrophobicContact CE3-CG 4.25Å; E215-K217 PolarHBondContact O-N 2.63Å; E215-K217 WeakPolarHBondContact OE2-CE 3.43Å; E215-K217 IonicContact OE2-NZ 2.7Å; E215-K217 PolarHBondContact OE2-NZ 3.34Å; K217-N219 PolarHBondContact O-N 3.22Å; K217-N220 PolarHBondContact O-N 3.13Å; K217-C221 PolarHBondContact O-N 2.68Å
218	A	73.8	Confident	82.9	Confident	13 Å²	13	57.7 Å²	57.7	11%	0.107	30%	0.295	C	S	.	.	H	α-helix	trans	50.3	52.1	175.6	0	0	0	0	0	114.1	W135 C221 T222 K223 L225	W135-A218 HydrophobicContact CB-CB 3.92Å; A218-C221 PolarHBondContact O-N 2.87Å; A218-T222 PolarHBondContact O-N 2.8Å; A218-T222 VanDerWaalsContact O-N 3.11Å; A218-K223 HydrophobicContact CB-CB 4.43Å; A218-K223 WeakPolarHBondContact CB-O 3.44Å; A218-K223 PolarHBondContact O-N 2.96Å; A218-K223 VanDerWaalsContact O-N 3.1Å; A218-L225 HydrophobicContact CB-CD1 3.65Å; A218-L225 HydrophobicContact CB-CG 4.09Å
219	N	81.1	Confident	82.2	Confident	104 Å²	104	61 Å²	61	56%	0.556	32%	0.316	S	S	*	.	H	α-helix	trans	52.6	64.8	-175.6	-65.8	16.6	0	0	0	112.3	K217 C221 T222 K223	K217-N219 PolarHBondContact O-N 3.22Å; N219-C221 VanDerWaalsContact C-N 3.25Å; N219-C221 PolarHBondContact O-N 3.06Å; N219-T222 WeakPolarHBondContact CB-OG1 3.31Å; N219-T222 WeakPolarHBondContact O-CB 3.2Å; N219-T222 WeakPolarHBondContact O-CG2 3.34Å; N219-T222 PolarHBondContact O-N 2.77Å; N219-T222 VanDerWaalsContact O-N 3.14Å; N219-T222 PolarHBondContact O-OG1 2.98Å; N219-K223 HydrophobicContact CB-CG 4.5Å
220	N	88.1	Confident	81	Confident	92 Å²	92	68 Å²	68	49%	0.492	34%	0.341	S	S	.	.	H	α-helix	trans	52	43	-176.2	-64.9	-19.2	0	0	0	113.1	V150 K217 T222	V150-N220 HydrophobicContact CB-CB 4.5Å; V150-N220 HydrophobicContact CG1-CB 4.08Å; K217-N220 PolarHBondContact O-N 3.13Å; N220-T222 VanDerWaalsContact C-N 3.29Å; N220-T222 PolarHBondContact O-N 3.35Å
221	C	88.3	Confident	79.8	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	58.2	33.9	-178.6	-59.1	0	0	0	0	115	P136 R147 P148 V150 K217 A218 N219	P136-C221 VanDerWaalsContact CG-C 3.48Å; P136-C221 HydrophobicContact CG-CB 3.88Å; P136-C221 WeakPolarHBondContact CG-O 3.39Å; R147-C221 VanDerWaalsContact CD-O 3.31Å; R147-C221 WeakPolarHBondContact CD-O 3.37Å; P148-C221 HydrophobicContact CB-CB 4.28Å; P148-C221 HydrophobicContact CG-CB 4.31Å; P148-C221 VanDerWaalsContact CG-SG 3.57Å; V150-C221 HydrophobicContact CG2-CB 3.88Å; K217-C221 PolarHBondContact O-N 2.68Å; A218-C221 PolarHBondContact O-N 2.87Å; N219-C221 VanDerWaalsContact C-N 3.25Å; N219-C221 PolarHBondContact O-N 3.06Å
222	T	85.3	Confident	79	Confident	105 Å²	105	74.1 Å²	74.1	64%	0.644	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-15	175.6	61.9	0	0	0	0	114.1	A218 N219 N220	A218-T222 PolarHBondContact O-N 2.8Å; A218-T222 VanDerWaalsContact O-N 3.11Å; N219-T222 WeakPolarHBondContact CB-OG1 3.31Å; N219-T222 WeakPolarHBondContact O-CB 3.2Å; N219-T222 WeakPolarHBondContact O-CG2 3.34Å; N219-T222 PolarHBondContact O-N 2.77Å; N219-T222 VanDerWaalsContact O-N 3.14Å; N219-T222 PolarHBondContact O-OG1 2.98Å; N220-T222 VanDerWaalsContact C-N 3.29Å; N220-T222 PolarHBondContact O-N 3.35Å
223	K	67.1	Low	78.3	Confident	109 Å²	109	78.5 Å²	78.5	47%	0.474	38%	0.384	S	S	.	.	S	Bend	trans	-110.5	134.4	176.8	-69	-174.7	174.9	-178.3	0	111.8	P136 A218 N219 L225	P136-K223 WeakPolarHBondContact CD-O 3.22Å; P136-K223 VanDerWaalsContact CG-O 3.31Å; P136-K223 WeakPolarHBondContact CG-O 3.4Å; A218-K223 HydrophobicContact CB-CB 4.43Å; A218-K223 WeakPolarHBondContact CB-O 3.44Å; A218-K223 PolarHBondContact O-N 2.96Å; A218-K223 VanDerWaalsContact O-N 3.1Å; N219-K223 HydrophobicContact CB-CG 4.5Å; K223-L225 HydrophobicContact CB-CD2 4.26Å; K223-L225 HydrophobicContact CB-CG 4.4Å
224	V	72.9	Confident	77.5	Confident	40 Å²	40	78 Å²	78	24%	0.242	39%	0.386	C	S	.	.			trans	-83.9	121.6	167	-178.2	0	0	0	0	108.1	P136 Y145 V226 W227	P136-V224 HydrophobicContact CB-CG2 4.03Å; Y145-V224 HydrophobicContact CD1-CG2 4.32Å; Y145-V224 HydrophobicContact CG-CG2 4.09Å; V224-V226 VanDerWaalsContact CG1-O 3.23Å; V224-V226 WeakPolarHBondContact CG1-O 3.29Å; V224-W227 HydrophobicContact CB-CZ2 4.42Å; V224-W227 HydrophobicContact CG1-CD2 4.23Å; V224-W227 HydrophobicContact CG1-CG 4.49Å; V224-W227 HydrophobicContact CG1-CZ2 4Å
225	L	67.9	Low	77.2	Confident	102 Å²	102	84.3 Å²	84.3	53%	0.534	42%	0.42	S	S	.	.			trans	-120.9	-3.4	-179.6	-58.4	179	0	0	0	112.8	A218 K223	A218-L225 HydrophobicContact CB-CD1 3.65Å; A218-L225 HydrophobicContact CB-CG 4.09Å; K223-L225 HydrophobicContact CB-CD2 4.26Å; K223-L225 HydrophobicContact CB-CG 4.4Å
226	V	67.3	Low	77.2	Confident	41 Å²	41	87.2 Å²	87.2	25%	0.248	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	146	178	65.1	0	0	0	0	109	V137 G138 A173 V224	V137-V226 HydrophobicContact CB-CG1 4.34Å; V137-V226 HydrophobicContact CG1-CG1 4.36Å; V137-V226 HydrophobicContact CG2-CG1 3.92Å; G138-V226 PolarHBondContact N-O 3.27Å; A173-V226 HydrophobicContact CB-CG2 4.19Å; V224-V226 VanDerWaalsContact CG1-O 3.23Å; V224-V226 WeakPolarHBondContact CG1-O 3.29Å
227	W	74.9	Confident	77.2	Confident	140 Å²	140	89.8 Å²	89.8	53%	0.53	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	132.8	-178.1	-64.4	-100.1	0	0	0	109.7	V224 T229	V224-W227 HydrophobicContact CB-CZ2 4.42Å; V224-W227 HydrophobicContact CG1-CD2 4.23Å; V224-W227 HydrophobicContact CG1-CG 4.49Å; V224-W227 HydrophobicContact CG1-CZ2 4Å; W227-T229 HydrophobicContact CB-CG2 4.06Å; W227-T229 PolarHBondContact O-N 3.29Å
228	H	73.9	Confident	77.6	Confident	50 Å²	50	95.2 Å²	95.2	23%	0.231	49%	0.49	C	S	.	.			trans	-78.7	64.6	174.1	-168.5	-56.1	0	0	0	110.1	V137 G138 V140 D171	V137-H228 HydrophobicContact CG1-CB 4.18Å; G138-H228 PolarHBondContact O-N 2.91Å; V140-H228 HydrophobicContact CB-CB 4.09Å; V140-H228 HydrophobicContact CG2-CB 4.35Å; D171-H228 IonicContact OD1-CD2 2.73Å; D171-H228 IonicContact OD2-CD2 3.51Å
229	T	71.7	Confident	78.3	Confident	83 Å²	83	100 Å²	100	51%	0.509	51%	0.511	S	S	.	.			trans	-68.8	138.6	177.4	53.3	0	0	0	0	111.4	W227	W227-T229 HydrophobicContact CB-CG2 4.06Å; W227-T229 PolarHBondContact O-N 3.29Å
230	R	68.2	Low	78.5	Confident	155 Å²	155	98 Å²	98	59%	0.585	50%	0.503	S	S	*	.			trans	-116.9	122.6	169.5	-173.7	179.2	-56.6	114.8	8.5	109.1	W15	W15-R230 VanDerWaalsContact CZ3-NH2 3.27Å
231	T	69.1	Low	78.5	Confident	54 Å²	54	101.8 Å²	101.8	33%	0.331	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-75	135.6	168.9	-55.3	0	0	0	0	109.2	V93 E97 R100	V93-T231 HydrophobicContact CB-CG2 4.07Å; V93-T231 HydrophobicContact CG1-CG2 3.75Å; V93-T231 HydrophobicContact CG2-CG2 4.17Å; E97-T231 WeakPolarHBondContact OE1-CB 3.46Å; E97-T231 PolarHBondContact OE1-OG1 3.33Å; R100-T231 PolarHBondContact NH2-OG1 3.35Å
232	E	74.8	Confident	78.1	Confident	171 Å²	171	111.5 Å²	111.5	80%	0.799	55%	0.553	S	S	*	*	P	Polyproline II helix	trans	-65.8	164.9	179.1	-61.8	-168.9	147.8	0	0	112.1	V234	E232-V234 PolarHBondContact O-N 2.9Å
233	K	77.9	Confident	78.3	Confident	208 Å²	208	114.7 Å²	114.7	90%	0.904	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-71.9	122.5	176.7	-172.4	-178.4	179.5	-173.4	0	109	N235	K233-N235 PolarHBondContact O-N 3.34Å
234	V	75.9	Confident	79.1	Confident	63 Å²	63	115.4 Å²	115.4	38%	0.382	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-57.9	129.6	179.3	-172.2	0	0	0	0	110.6	P92 V93 E232 L236	P92-V234 HydrophobicContact CB-CG2 4.06Å; V93-V234 HydrophobicContact CG1-CG2 3.38Å; E232-V234 PolarHBondContact O-N 2.9Å; V234-L236 HydrophobicContact CG1-CD2 3.74Å; V234-L236 HydrophobicContact CG1-CG 3.9Å; V234-L236 PolarHBondContact O-N 3.26Å
235	N	86.1	Confident	79.7	Confident	135 Å²	135	118.5 Å²	118.5	72%	0.722	58%	0.584	S	S	*	*			trans	-86.8	103.3	173.4	-177.3	9.1	0	0	0	109.8	K233 A237	K233-N235 PolarHBondContact O-N 3.34Å; N235-A237 VanDerWaalsContact OD1-CB 3.24Å; N235-A237 WeakPolarHBondContact OD1-CB 3.12Å; N235-A237 PolarHBondContact OD1-N 3.24Å; N235-A237 VanDerWaalsContact OD1-N 3.13Å
236	L	86.9	Confident	80.5	Confident	95 Å²	95	120.3 Å²	120.3	50%	0.497	60%	0.599	S	S	.	*			trans	-104.7	32.8	177	-64	179.4	0	0	0	111.9	V234 N238 E239	V234-L236 HydrophobicContact CG1-CD2 3.74Å; V234-L236 HydrophobicContact CG1-CG 3.9Å; V234-L236 PolarHBondContact O-N 3.26Å; L236-N238 PolarHBondContact O-N 3.26Å; L236-E239 HydrophobicContact CB-CB 4.06Å; L236-E239 VanDerWaalsContact O-CB 3.32Å; L236-E239 WeakPolarHBondContact O-CB 3.03Å; L236-E239 PolarHBondContact O-N 3.24Å
237	A	90	Very high	81.5	Confident	77 Å²	77	122.8 Å²	122.8	64%	0.636	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.1	-30.6	-178.5	0	0	0	0	0	113.7	N235	N235-A237 VanDerWaalsContact OD1-CB 3.24Å; N235-A237 WeakPolarHBondContact OD1-CB 3.12Å; N235-A237 PolarHBondContact OD1-N 3.24Å; N235-A237 VanDerWaalsContact OD1-N 3.13Å
238	N	89.1	Confident	81.6	Confident	162 Å²	162	126 Å²	126	87%	0.866	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.6	9.5	-178.8	-61.7	-17.9	0	0	0	113.2	L236 P240	L236-N238 PolarHBondContact O-N 3.26Å; N238-P240 WeakPolarHBondContact O-CD 3.28Å
239	E	87.9	Confident	81.1	Confident	115 Å²	115	129.4 Å²	129.4	54%	0.537	65%	0.651	S	S	.	*			trans	-68.5	116.3	-179.3	-169.7	67.3	-160.3	0	0	110.4	L236 K241	L236-E239 HydrophobicContact CB-CB 4.06Å; L236-E239 VanDerWaalsContact O-CB 3.32Å; L236-E239 WeakPolarHBondContact O-CB 3.03Å; L236-E239 PolarHBondContact O-N 3.24Å; E239-K241 PolarHBondContact O-N 3.13Å
240	P	85.5	Confident	80.3	Confident	62 Å²	62	132.5 Å²	132.5	40%	0.403	66%	0.659	S	S	.	*			trans	-71.6	129.3	-174.5	28.8	-33.8	0	0	0	110.9	N238 H243 L244	N238-P240 WeakPolarHBondContact O-CD 3.28Å; P240-H243 WeakPolarHBondContact CB-O 3.24Å; P240-L244 VanDerWaalsContact O-CD2 3.23Å; P240-L244 WeakPolarHBondContact O-CD2 3.38Å
241	K	87.8	Confident	79.4	Confident	170 Å²	170	131.2 Å²	131.2	74%	0.739	67%	0.668	S	S	*	*	S	Bend	trans	-91.3	-16.3	179.2	-66.3	-178.7	-178	173.7	0	114.8	E239	E239-K241 PolarHBondContact O-N 3.13Å
242	Y	80.7	Confident	79.9	Confident	205 Å²	205	135.1 Å²	135.1	80%	0.804	69%	0.685	S	S	*	*	S	Bend	trans	-127.1	-44.8	-169.7	-55.1	-70	0	0	0	112.2	L244	Y242-L244 VanDerWaalsContact C-N 3.34Å; Y242-L244 PolarHBondContact O-N 3.47Å
243	H	87.9	Confident	80.2	Confident	171 Å²	171	133.2 Å²	133.2	79%	0.792	68%	0.679	S	S	*	*	S	Bend	trans	-92.7	69.5	173.3	-53.6	-59.2	0	0	0	109.5	P240	P240-H243 WeakPolarHBondContact CB-O 3.24Å
244	L	85.6	Confident	80.3	Confident	125 Å²	125	129 Å²	129	65%	0.654	67%	0.667	S	S	*	*			trans	-67.2	153.1	175.6	-61.9	175.7	0	0	0	110.6	P240 Y242	P240-L244 VanDerWaalsContact O-CD2 3.23Å; P240-L244 WeakPolarHBondContact O-CD2 3.38Å; Y242-L244 VanDerWaalsContact C-N 3.34Å; Y242-L244 PolarHBondContact O-N 3.47Å
245	D	83.7	Confident	80.6	Confident	105 Å²	105	132.9 Å²	132.9	56%	0.561	68%	0.684	S	S	*	*			trans	-62.3	147.5	169	-170.6	7.5	0	0	0	110.4	V247	D245-V247 PolarHBondContact O-N 3.47Å; D245-V247 PolarHBondContact OD1-N 3.36Å
246	T	86.3	Confident	80.2	Confident	139 Å²	139	132.8 Å²	132.8	85%	0.853	68%	0.681	S	S	*	*	S	Bend	trans	-64	-23.7	175	58.7	0	0	0	0	113
247	V	86.7	Confident	79.8	Confident	93 Å²	93	135.3 Å²	135.3	56%	0.564	69%	0.693	S	S	*	*	S	Bend	trans	-112.5	130.5	179.1	-177	0	0	0	0	110.3	D245 I249	D245-V247 PolarHBondContact O-N 3.47Å; D245-V247 PolarHBondContact OD1-N 3.36Å; V247-I249 HydrophobicContact CG1-CG1 4.4Å; V247-I249 PolarHBondContact O-N 3.2Å
248	K	77.5	Confident	79	Confident	209 Å²	209	139.4 Å²	139.4	91%	0.909	70%	0.698	S	S	*	*			trans	-79.4	103.3	173.3	-174.1	-174.3	177.1	-172.6	0	110.4
249	I	64.6	Low	78.3	Confident	121 Å²	121	137.7 Å²	137.7	62%	0.621	69%	0.685	S	S	*	*			trans	-90.2	135.1	175.9	-56	177.8	0	0	0	110.1	V247 V251	V247-I249 HydrophobicContact CG1-CG1 4.4Å; V247-I249 PolarHBondContact O-N 3.2Å; I249-V251 HydrophobicContact CG2-CG2 4.32Å
250	E	54.8	Low	77.5	Confident	147 Å²	147	139.6 Å²	139.6	69%	0.687	70%	0.697	S	S	*	*			trans	-93.2	115.3	175.7	-173	-161.3	104.2	0	0	110.9	K95	K95-E250 VanDerWaalsContact CE-OE1 3.29Å; K95-E250 WeakPolarHBondContact CE-OE1 3.32Å; K95-E250 PolarHBondContact NZ-O 3.43Å; K95-E250 IonicContact NZ-OE1 2.68Å; K95-E250 PolarHBondContact NZ-OE1 3.26Å
251	V	48.4	Very low	76.7	Confident	128 Å²	128	146.6 Å²	146.6	78%	0.776	72%	0.724	S	S	*	*			trans	-110	0	-177.5	-175.4	0	0	0	0	111.3	K95 I249	K95-V251 WeakPolarHBondContact CB-OXT 3.39Å; K95-V251 WeakPolarHBondContact CD-OXT 3.23Å; I249-V251 HydrophobicContact CG2-CG2 4.32Å

Retrieved 251 of 251 residues in 48.6 ms (Link to these results)

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