A0A061HZ94_CRIGR Loading...

Peptidyl-prolyl cis-trans isomerase

AlphaFold DB , UniProt , Accession A0A061HZ94, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Pin4, Length 131 aa.

						>A0A061HZ94_CRIGR|A0A061HZ94|Pin4
MPPKGKSGSGKGGKGGAASGSDSADKKAQGPKGGGNAVKVRHILCEKHGKIMEAMEKLKSGMRFSEVATQYSEDKARQGGDLGWMTRGSMVGPFQEAAFALPISGMDKPVFTDPPVKTKFGYHIIMVEGRK
					

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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	48.6	Very low	46.4	Very low	238 Å²	238	142.3 Å²	142.3	100%	1.172	85%	0.845	S	S	*	*				0	118.7	0	-65.3	164.9	81.2	0	0	108.4
2	P	69.1	Low	45.4	Very low	121 Å²	121	136.3 Å²	136.3	79%	0.786	84%	0.835	S	S	*	*			trans	-80.3	162.2	158.7	37.5	-31.7	0	0	0	108.6
3	P	59.9	Low	45	Very low	109 Å²	109	131.9 Å²	131.9	71%	0.708	83%	0.834	S	S	*	*				-156.4	168.2	63.8	41	-18.8	0	0	0	119.7
4	K	52.4	Low	44.3	Very low	210 Å²	210	137.8 Å²	137.8	91%	0.913	84%	0.841	S	S	*	*			trans	57	132	138.1	-80.5	163	167.5	159.5	0	119.4
5	G	42.5	Very low	43.6	Very low	68 Å²	68	133.7 Å²	133.7	70%	0.701	84%	0.837	S	S	*	*			cis	131.8	151.4	17.6	0	0	0	0	0	110.7
6	K	42.5	Very low	42.9	Very low	217 Å²	217	130.5 Å²	130.5	94%	0.943	84%	0.838	S	S	*	*			trans	78.1	135.7	-179.9	-71.7	177.4	169.5	178	0	114.7
7	S	43.9	Very low	42.7	Very low	117 Å²	117	129.2 Å²	129.2	82%	0.818	84%	0.841	S	S	*	*			cis	-163.2	134.6	17.4	170.1	0	0	0	0	104.3
8	G	35.6	Very low	42.6	Very low	60 Å²	60	127.2 Å²	127.2	62%	0.619	84%	0.837	S	S	*	*				107	118.4	55.3	0	0	0	0	0	109.3
9	S	42.2	Very low	42.6	Very low	134 Å²	134	127.2 Å²	127.2	94%	0.937	84%	0.84	S	S	*	*			trans	77.2	124.2	165.8	-49.4	0	0	0	0	116.5
10	G	37	Very low	42.3	Very low	72 Å²	72	124.3 Å²	124.3	74%	0.742	83%	0.833	S	S	*	*			cis	130.8	135.9	13.8	0	0	0	0	0	109.3
11	K	37.2	Very low	42.1	Very low	219 Å²	219	123 Å²	123	95%	0.952	83%	0.826	S	S	*	*			trans	77.2	128.2	163.2	-131	169.3	-179.3	177.7	0	114.4
12	G	34.5	Very low	42	Very low	71 Å²	71	119.5 Å²	119.5	73%	0.732	81%	0.812	S	S	*	*			cis	136.5	124.4	27.4	0	0	0	0	0	105.4
13	G	40.1	Very low	40.6	Very low	79 Å²	79	118 Å²	118	81%	0.814	81%	0.805	S	S	*	*			trans	-71	168	-167.2	0	0	0	0	0	116.4
14	K	35.4	Very low	40.1	Very low	214 Å²	214	117.6 Å²	117.6	93%	0.93	81%	0.811	S	S	*	*			trans	-178.9	127.9	149.3	-108.6	174.8	172.6	-177.1	0	106.7
15	G	33	Very low	39.8	Very low	77 Å²	77	114.7 Å²	114.7	79%	0.794	81%	0.805	S	S	*	*				88.5	107.8	83.1	0	0	0	0	0	107.4
16	G	32.8	Very low	39.8	Very low	82 Å²	82	121.1 Å²	121.1	85%	0.845	81%	0.814	S	S	*	*				114	139.4	83.8	0	0	0	0	0	108.2
17	A	40.1	Very low	39.6	Very low	108 Å²	108	119.6 Å²	119.6	89%	0.893	81%	0.807	S	S	*	*			trans	-65.8	155	-166.9	0	0	0	0	0	116.3
18	A	39.8	Very low	39.6	Very low	93 Å²	93	118.7 Å²	118.7	77%	0.769	81%	0.807	S	S	*	*			trans	176.8	105.1	137	0	0	0	0	0	107.5
19	S	42.2	Very low	40	Very low	127 Å²	127	124.5 Å²	124.5	89%	0.888	82%	0.818	S	S	*	*				44	87.2	92.6	-161.8	0	0	0	0	112.8
20	G	38	Very low	40	Very low	69 Å²	69	119.7 Å²	119.7	71%	0.711	79%	0.79	S	S	*	*			trans	-119.6	91.5	164.1	0	0	0	0	0	107.6	D22	G20-D22 PolarHBondContact O-N 3.25Å
21	S	37	Very low	40.4	Very low	97 Å²	97	121.7 Å²	121.7	68%	0.678	79%	0.789	S	S	*	*			trans	-62.5	113	176.9	-173.4	0	0	0	0	109.8	S23	S21-S23 VanDerWaalsContact C-N 3.25Å; S21-S23 PolarHBondContact O-N 3.04Å
22	D	46.4	Very low	40.8	Very low	166 Å²	166	121.7 Å²	121.7	89%	0.888	79%	0.79	S	S	*	*			trans	-60.3	88.5	159	-80.7	-84	0	0	0	108.8	G20 A24	G20-D22 PolarHBondContact O-N 3.25Å; D22-A24 PolarHBondContact O-N 3.5Å
23	S	39.9	Very low	41.2	Very low	89 Å²	89	119.7 Å²	119.7	62%	0.622	77%	0.769	S	S	*	*			trans	-90.7	99.1	166.1	-74.5	0	0	0	0	109.2	S21 D25	S21-S23 VanDerWaalsContact C-N 3.25Å; S21-S23 PolarHBondContact O-N 3.04Å; S23-D25 PolarHBondContact O-N 3.38Å
24	A	50.1	Low	41.5	Very low	101 Å²	101	120.2 Å²	120.2	84%	0.835	77%	0.774	S	S	*	*			trans	-52.7	108.1	156.9	0	0	0	0	0	109.8	D22	D22-A24 PolarHBondContact O-N 3.5Å
25	D	44.8	Very low	42.5	Very low	149 Å²	149	110.2 Å²	110.2	80%	0.797	73%	0.731	S	S	*	*			trans	-105.7	119.3	168.2	-103.9	-73	0	0	0	111.4	S23 K27	S23-D25 PolarHBondContact O-N 3.38Å; D25-K27 PolarHBondContact O-N 3.23Å
26	K	42.6	Very low	44.3	Very low	202 Å²	202	112.8 Å²	112.8	88%	0.878	73%	0.727	S	S	*	*			trans	-50.4	114.7	-176.8	-93.2	163.6	167.8	165.7	0	111.4	A28	K26-A28 PolarHBondContact O-N 2.79Å
27	K	38.4	Very low	46.7	Very low	186 Å²	186	109.7 Å²	109.7	81%	0.809	69%	0.693	S	S	*	*			trans	-63.3	91.5	166.9	-169.1	-176.8	-175.3	-170.3	0	110.5	D25 Q29	D25-K27 PolarHBondContact O-N 3.23Å; K27-Q29 PolarHBondContact O-N 2.87Å
28	A	43.7	Very low	49	Very low	98 Å²	98	104.5 Å²	104.5	81%	0.81	65%	0.651	S	S	*	*			trans	-64.5	111.6	164.2	0	0	0	0	0	109	K26 G30	K26-A28 PolarHBondContact O-N 2.79Å; A28-G30 PolarHBondContact O-N 3.06Å; A28-G30 VanDerWaalsContact O-N 3.16Å
29	Q	43.9	Very low	51.4	Low	181 Å²	181	102.4 Å²	102.4	85%	0.846	62%	0.624	S	S	*	*			trans	-72.8	100.5	179.1	-74.8	167.9	28	0	0	109.9	K27	K27-Q29 PolarHBondContact O-N 2.87Å
30	G	43.3	Very low	53.7	Low	34 Å²	34	96.3 Å²	96.3	35%	0.351	58%	0.582	S	S	.	*			trans	-89.4	161	154.9	0	0	0	0	0	110.7	A28 K32	A28-G30 PolarHBondContact O-N 3.06Å; A28-G30 VanDerWaalsContact O-N 3.16Å; G30-K32 PolarHBondContact O-N 3Å
31	P	44.6	Very low	56.2	Low	113 Å²	113	94.1 Å²	94.1	73%	0.734	55%	0.552	S	S	*	*			trans	-60.1	136.4	-164.1	23	-33.1	0	0	0	112.2	G33 R87	P31-G33 PolarHBondContact O-N 3.39Å; P31-G33 VanDerWaalsContact O-N 3.1Å; P31-R87 PolarHBondContact O-NH1 2.92Å
32	K	45.8	Very low	58.8	Low	220 Å²	220	89.9 Å²	89.9	96%	0.957	52%	0.522	S	S	*	.			trans	-60.5	100.5	179.8	-76.9	171.1	173.2	164.8	0	110.5	G30	G30-K32 PolarHBondContact O-N 3Å
33	G	43.3	Very low	61	Low	29 Å²	29	82 Å²	82	30%	0.299	48%	0.48	S	S	.	.			trans	-129.7	107.4	156.2	0	0	0	0	0	106.6	P31 G35 R130	P31-G33 PolarHBondContact O-N 3.39Å; P31-G33 VanDerWaalsContact O-N 3.1Å; G33-G35 VanDerWaalsContact C-N 3.3Å; G33-G35 PolarHBondContact O-N 3.09Å; G33-R130 PolarHBondContact O-NH2 3.17Å
34	G	46.8	Very low	63.5	Low	89 Å²	89	78.7 Å²	78.7	92%	0.918	46%	0.455	S	S	*	.	S	Bend	trans	-63.6	73.6	-161.9	0	0	0	0	0	116
35	G	55.2	Low	65.5	Low	4 Å²	4	73.9 Å²	73.9	4%	0.041	42%	0.415	C	S	.	.			trans	-154.9	126.2	156.5	0	0	0	0	0	110.3	G33 A37 F99 K131	G33-G35 VanDerWaalsContact C-N 3.3Å; G33-G35 PolarHBondContact O-N 3.09Å; G35-A37 VanDerWaalsContact C-N 3.28Å; G35-F99 WeakPolarHBondContact O-CE1 3.47Å; G35-K131 CarbonylContact C-O 3.5Å; G35-K131 WeakPolarHBondContact CA-O 3.41Å; G35-K131 WeakPolarHBondContact CA-OXT 3.41Å
36	N	72.6	Confident	67.7	Low	131 Å²	131	73.5 Å²	73.5	70%	0.701	41%	0.408	S	S	*	.	S	Bend	trans	-81.7	-10.9	-179.1	-75.8	-13	0	0	0	112.1	T86 R87 K131	N36-T86 CarbonylContact O-C 3.47Å; N36-T86 WeakPolarHBondContact O-CA 3.14Å; N36-T86 WeakPolarHBondContact O-CB 3.49Å; N36-R87 PolarHBondContact O-N 3.19Å; N36-K131 PolarHBondContact N-O 2.91Å
37	A	83.3	Confident	70	Confident	17 Å²	17	70.5 Å²	70.5	14%	0.14	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	141.9	-179.4	0	0	0	0	0	112.6	G35 W84 M85 T86 R130 K131	G35-A37 VanDerWaalsContact C-N 3.28Å; A37-W84 HydrophobicContact CB-CE3 3.94Å; A37-M85 CarbonylContact C-O 3.46Å; A37-M85 VanDerWaalsContact CA-O 3.22Å; A37-M85 WeakPolarHBondContact CA-O 3.46Å; A37-T86 HydrophobicContact CB-CG2 4.13Å; A37-R130 WeakPolarHBondContact O-CA 3.14Å; A37-K131 PolarHBondContact N-O 3.26Å; A37-K131 PolarHBondContact O-N 3.45Å; A37-K131 VanDerWaalsContact O-O 3.08Å
38	V	88.3	Confident	72.3	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	131	173.5	-74.6	0	0	0	0	108.9	V40 M85 M90 A98 F99 V127 G129 R130	V38-V40 HydrophobicContact CB-CG1 3.91Å; V38-V40 HydrophobicContact CG2-CG1 3.61Å; V38-V40 PolarHBondContact O-N 3Å; V38-M85 PolarHBondContact N-O 3.16Å; V38-M85 PolarHBondContact O-N 2.91Å; V38-M90 HydrophobicContact CG2-CE 3.8Å; V38-A98 HydrophobicContact CG2-CB 4.46Å; V38-F99 HydrophobicContact CG1-CD1 4.05Å; V38-F99 HydrophobicContact CG1-CE1 3.72Å; V38-F99 HydrophobicContact CG1-CE2 4.45Å; V38-F99 HydrophobicContact CG1-CZ 3.95Å; V38-F99 HydrophobicContact CG2-CD2 4.46Å; V38-F99 HydrophobicContact CG2-CE2 3.96Å; V38-F99 HydrophobicContact CG2-CZ 4.04Å; V38-V127 HydrophobicContact CB-CG1 4.47Å; V38-G129 CarbonylContact C-O 3.45Å; V38-G129 WeakPolarHBondContact CA-O 3.22Å; V38-R130 HydrophobicContact CG1-CB 3.98Å; V38-R130 HydrophobicContact CG1-CG 3.69Å
39	K	89.4	Confident	74.6	Confident	48 Å²	48	62.8 Å²	62.8	21%	0.209	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	111	167.9	-162.8	-173.1	-176.1	-135.4	0	107.8	D81 G83 W84 V127 E128 G129	K39-D81 WeakPolarHBondContact CE-OD2 3.36Å; K39-D81 IonicContact NZ-OD1 2.75Å; K39-D81 IonicContact NZ-OD2 2.76Å; K39-D81 PolarHBondContact NZ-OD2 3.28Å; K39-G83 VanDerWaalsContact CA-O 3.32Å; K39-G83 WeakPolarHBondContact CA-O 3.44Å; K39-W84 HydrophobicContact CB-CD2 3.98Å; K39-W84 HydrophobicContact CB-CE3 4.19Å; K39-W84 HydrophobicContact CB-CG 4.45Å; K39-W84 HydrophobicContact CB-CH2 4.49Å; K39-W84 HydrophobicContact CB-CZ2 4.28Å; K39-W84 HydrophobicContact CB-CZ3 4.44Å; K39-V127 WeakPolarHBondContact O-CA 2.87Å; K39-E128 HydrophobicContact CB-CB 4.48Å; K39-E128 HydrophobicContact CD-CB 4.26Å; K39-E128 IonicContact NZ-OE2 2.87Å; K39-E128 PolarHBondContact NZ-OE2 3.16Å; K39-E128 PolarHBondContact O-N 3.1Å; K39-G129 PolarHBondContact N-O 2.93Å; K39-G129 PolarHBondContact O-N 3.2Å
40	V	89.6	Confident	76.8	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	141.8	-171.9	-71.7	0	0	0	0	111.4	V38 L82 G83 M85 M90 F94 A98 M126 V127	V38-V40 HydrophobicContact CB-CG1 3.91Å; V38-V40 HydrophobicContact CG2-CG1 3.61Å; V38-V40 PolarHBondContact O-N 3Å; V40-L82 HydrophobicContact CG2-CB 4.18Å; V40-L82 HydrophobicContact CG2-CD1 4.2Å; V40-L82 PolarHBondContact O-N 3.29Å; V40-G83 PolarHBondContact N-O 3.3Å; V40-M85 HydrophobicContact CG2-CB 3.9Å; V40-M85 HydrophobicContact CG2-CG 3.58Å; V40-M90 HydrophobicContact CG2-SD 4.32Å; V40-F94 HydrophobicContact CG2-CE1 4.15Å; V40-F94 HydrophobicContact CG2-CZ 4.41Å; V40-A98 HydrophobicContact CG1-CB 3.87Å; V40-M126 CarbonylContact C-O 3.54Å; V40-M126 WeakPolarHBondContact CA-O 3.4Å; V40-V127 HydrophobicContact CG1-CG2 4.12Å
41	R	91.3	Very high	79	Confident	22 Å²	22	56.3 Å²	56.3	8%	0.083	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	137.8	172.2	-167.4	-174.1	-75.9	-113	2.9	107.8	F64 S65 G79 G80 I125 M126 E128	R41-F64 HydrophobicContact CB-CD1 4.47Å; R41-F64 HydrophobicContact CB-CE1 4.17Å; R41-F64 HydrophobicContact CG-CD1 3.66Å; R41-F64 HydrophobicContact CG-CE1 3.58Å; R41-S65 PolarHBondContact NH1-OG 3.16Å; R41-S65 VanDerWaalsContact NH1-OG 3.14Å; R41-G79 VanDerWaalsContact CD-O 3.24Å; R41-G79 WeakPolarHBondContact CD-O 3.37Å; R41-G79 WeakPolarHBondContact CG-O 3.39Å; R41-G79 PolarHBondContact NH1-O 2.91Å; R41-G80 CarbonylContact C-O 3.57Å; R41-G80 VanDerWaalsContact CA-O 3.24Å; R41-G80 WeakPolarHBondContact CA-O 3.48Å; R41-G80 VanDerWaalsContact CG-C 3.42Å; R41-G80 WeakPolarHBondContact CG-O 3.42Å; R41-I125 CarbonylContact O-C 3.55Å; R41-I125 WeakPolarHBondContact O-CA 3.13Å; R41-M126 HydrophobicContact CB-CB 4.38Å; R41-M126 PolarHBondContact N-O 3.01Å; R41-M126 PolarHBondContact O-N 3.11Å; R41-E128 IonicContact CZ-OE1 2.67Å; R41-E128 VanDerWaalsContact CZ-OE1 3.26Å; R41-E128 IonicContact NE-OE1 3.19Å; R41-E128 PolarHBondContact NE-OE1 2.89Å; R41-E128 IonicContact NH2-OE1 3.93Å; R41-E128 PolarHBondContact NH2-OE1 3.44Å
42	H	91.3	Very high	81.2	Confident	9 Å²	9	55.5 Å²	55.5	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	158.7	177.3	80.8	166.3	0	0	0	114	D74 G80 L82 F94 H123 I124	H42-D74 IonicContact CD2-OD2 3.72Å; H42-D74 IonicContact CE1-OD2 3.26Å; H42-D74 PolarHBondContact CE1-OD2 3.19Å; H42-D74 IonicContact NE2-OD2 2.88Å; H42-D74 PolarHBondContact NE2-OD2 2.92Å; H42-G80 PolarHBondContact N-O 3.32Å; H42-G80 WeakPolarHBondContact O-CA 3.4Å; H42-L82 HydrophobicContact CB-CD1 3.87Å; H42-L82 WeakPolarHBondContact CD2-CD1 3.34Å; H42-L82 VanDerWaalsContact CG-CD1 3.4Å; H42-F94 HydrophobicContact CB-CE2 3.66Å; H42-F94 HydrophobicContact CB-CZ 3.94Å; H42-F94 AromaticContact CG-CE2 3.89Å; H42-F94 AromaticContact ND1-CE2 3.37Å; H42-F94 WeakPolarHBondContact ND1-CE2 3.22Å; H42-F94 AromaticContact ND1-CZ 3.99Å; H42-H123 AromaticContact CE1-ND1 4Å; H42-H123 AromaticContact ND1-ND1 3.34Å; H42-H123 PolarHBondContact ND1-ND1 3.02Å; H42-I124 CarbonylContact C-O 3.6Å; H42-I124 WeakPolarHBondContact CA-O 3.19Å; H42-I124 WeakPolarHBondContact CB-O 3.4Å
43	I	92.3	Very high	83.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	113.8	165.7	-61.8	155.7	0	0	0	105.5	I51 A54 L58 F64 V67 A68 S72 H123 I124	I43-I51 HydrophobicContact CB-CD1 4.25Å; I43-I51 HydrophobicContact CG2-CD1 3.77Å; I43-I51 WeakPolarHBondContact O-CD1 3.34Å; I43-A54 HydrophobicContact CG2-CB 4.29Å; I43-L58 HydrophobicContact CD1-CD1 3.88Å; I43-L58 HydrophobicContact CD1-CD2 4.49Å; I43-L58 HydrophobicContact CD1-CG 4.49Å; I43-F64 HydrophobicContact CB-CZ 4.46Å; I43-F64 HydrophobicContact CD1-CD1 3.95Å; I43-F64 HydrophobicContact CD1-CD2 4.04Å; I43-F64 HydrophobicContact CD1-CE1 3.64Å; I43-F64 HydrophobicContact CD1-CE2 3.73Å; I43-F64 HydrophobicContact CD1-CG 4.19Å; I43-F64 HydrophobicContact CD1-CZ 3.53Å; I43-F64 HydrophobicContact CG1-CD1 4.08Å; I43-F64 HydrophobicContact CG1-CE1 3.47Å; I43-F64 VanDerWaalsContact CG1-CE1 3.47Å; I43-F64 HydrophobicContact CG1-CE2 4.35Å; I43-F64 HydrophobicContact CG1-CZ 3.64Å; I43-V67 HydrophobicContact CD1-CB 4.13Å; I43-V67 HydrophobicContact CD1-CG1 3.72Å; I43-A68 HydrophobicContact CD1-CB 4.47Å; I43-A68 HydrophobicContact CG1-CB 3.66Å; I43-S72 WeakPolarHBondContact CA-OG 3.37Å; I43-H123 CarbonylContact O-C 3.5Å; I43-H123 WeakPolarHBondContact O-CA 3.43Å; I43-I124 HydrophobicContact CB-CB 4.31Å; I43-I124 HydrophobicContact CD1-CB 4.44Å; I43-I124 HydrophobicContact CD1-CD1 4.45Å; I43-I124 PolarHBondContact N-O 3.49Å; I43-I124 PolarHBondContact O-N 3.36Å
44	L	92.4	Very high	85.6	Confident	20 Å²	20	48.5 Å²	48.5	11%	0.105	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.2	173.4	167.6	62.3	0	0	0	109.2	S72 E73 D74 F120 Y122 H123	L44-S72 PolarHBondContact N-OG 3.49Å; L44-S72 CarbonylContact O-C 3.15Å; L44-S72 WeakPolarHBondContact O-CA 3.42Å; L44-E73 PolarHBondContact O-N 3.14Å; L44-D74 HydrophobicContact CB-CB 4.05Å; L44-D74 HydrophobicContact CD2-CB 3.84Å; L44-F120 HydrophobicContact CD1-CB 3.95Å; L44-F120 HydrophobicContact CD2-CB 4.13Å; L44-Y122 CarbonylContact C-O 3.59Å; L44-Y122 WeakPolarHBondContact CA-O 3.47Å; L44-H123 WeakPolarHBondContact CD1-CE1 3.49Å; L44-H123 VanDerWaalsContact CD1-NE2 3.35Å; L44-H123 WeakPolarHBondContact CD1-NE2 3.47Å
45	C	92.1	Very high	87.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	132.1	164.1	-53.3	0	0	0	0	109.7	K47 K50 I51 Y71 Y122	C45-K47 VanDerWaalsContact C-N 3.27Å; C45-K47 PolarHBondContact O-N 3.08Å; C45-K50 HydrophobicContact CB-CB 3.93Å; C45-I51 HydrophobicContact CB-CB 4.02Å; C45-I51 HydrophobicContact CB-CD1 4.03Å; C45-I51 VanDerWaalsContact SG-CD1 3.59Å; C45-Y71 PolarHBondContact SG-O 2.77Å; C45-Y122 PolarHBondContact N-O 2.83Å; C45-Y122 PolarHBondContact O-N 3.25Å
46	E	90.6	Very high	89.4	Confident	140 Å²	140	51 Å²	51	65%	0.654	25%	0.253	S	S	*	.	S	Bend	trans	-64.4	-35.8	173	-71.4	179	176.7	0	0	111.6	E73 F120	E46-E73 WeakPolarHBondContact CG-OE2 3.32Å; E46-E73 PolarHBondContact N-OE2 3.45Å; E46-F120 WeakPolarHBondContact CG-O 3.41Å
47	K	91.8	Very high	90.2	Very high	139 Å²	139	48.7 Å²	48.7	60%	0.604	24%	0.236	S	C	*	.	S	Bend	trans	-89.9	129.2	-177.7	-64.9	-175.7	-179.6	-179.6	0	112	C45 G49 K50 I51	C45-K47 VanDerWaalsContact C-N 3.27Å; C45-K47 PolarHBondContact O-N 3.08Å; K47-G49 VanDerWaalsContact C-N 3.29Å; K47-G49 PolarHBondContact O-N 3.38Å; K47-K50 HydrophobicContact CB-CB 4.29Å; K47-K50 HydrophobicContact CB-CG 4.25Å; K47-K50 PolarHBondContact O-N 2.83Å; K47-I51 PolarHBondContact O-N 3.36Å
48	H	87.9	Confident	90.4	Very high	84 Å²	84	48.5 Å²	48.5	39%	0.389	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-34.7	174.6	-170.6	-107.9	0	0	0	113.1	I51 M52 Y122	H48-I51 WeakPolarHBondContact O-CG2 3.46Å; H48-M52 VanDerWaalsContact CE1-CE 3.48Å; H48-M52 WeakPolarHBondContact CE1-CE 3.4Å; H48-M52 PolarHBondContact CE1-SD 3.28Å; H48-M52 WeakPolarHBondContact ND1-CE 2.92Å; H48-M52 PolarHBondContact O-N 3.06Å; H48-Y122 HydrophobicContact CB-CD2 4.18Å; H48-Y122 HydrophobicContact CB-CE2 3.66Å; H48-Y122 AromaticContact CD2-CD1 3.88Å; H48-Y122 AromaticContact CD2-CE1 3.51Å; H48-Y122 AromaticContact CD2-CE2 3.97Å; H48-Y122 AromaticContact CD2-CZ 3.56Å
49	G	90.6	Very high	90.3	Very high	39 Å²	39	54.5 Å²	54.5	40%	0.402	26%	0.259	S	S	.	.	H	α-helix	trans	-62.1	-46.8	175.6	0	0	0	0	0	112.5	K47 I51 M52 E53	K47-G49 VanDerWaalsContact C-N 3.29Å; K47-G49 PolarHBondContact O-N 3.38Å; G49-I51 PolarHBondContact O-N 2.94Å; G49-M52 PolarHBondContact O-N 3.16Å; G49-E53 PolarHBondContact O-N 3.45Å
50	K	89.9	Confident	90.2	Very high	78 Å²	78	56.7 Å²	56.7	34%	0.339	28%	0.28	S	S	.	.	H	α-helix	trans	-62.4	-43.1	179.7	-78.3	-169.6	179.7	-179.9	0	112.6	C45 K47 M52 E53 A54 E73	C45-K50 HydrophobicContact CB-CB 3.93Å; K47-K50 HydrophobicContact CB-CB 4.29Å; K47-K50 HydrophobicContact CB-CG 4.25Å; K47-K50 PolarHBondContact O-N 2.83Å; K50-M52 VanDerWaalsContact C-N 3.31Å; K50-M52 PolarHBondContact O-N 2.96Å; K50-E53 PolarHBondContact O-N 3.44Å; K50-A54 WeakPolarHBondContact O-CB 3.5Å; K50-A54 PolarHBondContact O-N 3.3Å; K50-E73 IonicContact NZ-OE1 2.79Å; K50-E73 PolarHBondContact NZ-OE1 3.47Å
51	I	90.4	Very high	90	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-68.3	-33.6	-179.2	-156.2	67.5	0	0	0	111.4	I43 C45 K47 H48 G49 A54 M55 P115 Y122 I124	I43-I51 HydrophobicContact CB-CD1 4.25Å; I43-I51 HydrophobicContact CG2-CD1 3.77Å; I43-I51 WeakPolarHBondContact O-CD1 3.34Å; C45-I51 HydrophobicContact CB-CB 4.02Å; C45-I51 HydrophobicContact CB-CD1 4.03Å; C45-I51 VanDerWaalsContact SG-CD1 3.59Å; K47-I51 PolarHBondContact O-N 3.36Å; H48-I51 WeakPolarHBondContact O-CG2 3.46Å; G49-I51 PolarHBondContact O-N 2.94Å; I51-A54 WeakPolarHBondContact O-CB 3.39Å; I51-A54 PolarHBondContact O-N 2.92Å; I51-M55 WeakPolarHBondContact O-CB 3.34Å; I51-M55 PolarHBondContact O-N 3.12Å; I51-P115 HydrophobicContact CG1-CB 3.9Å; I51-P115 HydrophobicContact CG1-CG 4.03Å; I51-P115 HydrophobicContact CG2-CB 4.17Å; I51-P115 HydrophobicContact CG2-CG 3.96Å; I51-Y122 HydrophobicContact CG2-CD2 4.48Å; I51-Y122 HydrophobicContact CG2-CG 3.98Å; I51-I124 HydrophobicContact CD1-CD1 3.76Å; I51-I124 HydrophobicContact CD1-CG1 3.76Å; I51-I124 HydrophobicContact CG1-CD1 3.8Å; I51-I124 HydrophobicContact CG1-CG1 3.75Å
52	M	90.8	Very high	89.8	Confident	96 Å²	96	61.4 Å²	61.4	47%	0.473	32%	0.321	S	S	.	.	H	α-helix	trans	-67	-42.7	174.8	-79.9	-161.9	-64.1	0	0	111.5	H48 G49 K50 A54 M55 E56	H48-M52 VanDerWaalsContact CE1-CE 3.48Å; H48-M52 WeakPolarHBondContact CE1-CE 3.4Å; H48-M52 PolarHBondContact CE1-SD 3.28Å; H48-M52 WeakPolarHBondContact ND1-CE 2.92Å; H48-M52 PolarHBondContact O-N 3.06Å; G49-M52 PolarHBondContact O-N 3.16Å; K50-M52 VanDerWaalsContact C-N 3.31Å; K50-M52 PolarHBondContact O-N 2.96Å; M52-A54 VanDerWaalsContact C-N 3.35Å; M52-A54 PolarHBondContact O-N 3.24Å; M52-M55 WeakPolarHBondContact O-CB 3.3Å; M52-M55 PolarHBondContact O-N 3Å; M52-E56 PolarHBondContact O-N 2.97Å
53	E	91.6	Very high	89.6	Confident	102 Å²	102	68 Å²	68	48%	0.477	35%	0.346	S	S	.	.	H	α-helix	trans	-60	-46.1	173.4	-71.7	177.5	-150.8	0	0	111.4	G49 K50 M55 E56 K57 Y71	G49-E53 PolarHBondContact O-N 3.45Å; K50-E53 PolarHBondContact O-N 3.44Å; E53-M55 VanDerWaalsContact C-N 3.25Å; E53-M55 PolarHBondContact O-N 3.41Å; E53-E56 PolarHBondContact O-N 2.81Å; E53-E56 VanDerWaalsContact O-N 3.16Å; E53-K57 WeakPolarHBondContact O-CG 3.41Å; E53-K57 PolarHBondContact O-N 3.43Å; E53-Y71 HydrophobicContact CB-CD1 4.47Å; E53-Y71 HydrophobicContact CB-CE1 3.74Å
54	A	90.4	Very high	89.4	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-56.2	-43.2	175.4	0	0	0	0	0	111.4	I43 K50 I51 M52 K57 L58 V67 Y71 I124	I43-A54 HydrophobicContact CG2-CB 4.29Å; K50-A54 WeakPolarHBondContact O-CB 3.5Å; K50-A54 PolarHBondContact O-N 3.3Å; I51-A54 WeakPolarHBondContact O-CB 3.39Å; I51-A54 PolarHBondContact O-N 2.92Å; M52-A54 VanDerWaalsContact C-N 3.35Å; M52-A54 PolarHBondContact O-N 3.24Å; A54-K57 WeakPolarHBondContact O-CB 3.49Å; A54-K57 PolarHBondContact O-N 2.68Å; A54-L58 WeakPolarHBondContact O-CG 3.19Å; A54-L58 PolarHBondContact O-N 3.21Å; A54-V67 HydrophobicContact CB-CG1 3.54Å; A54-V67 WeakPolarHBondContact O-CG1 3.33Å; A54-Y71 HydrophobicContact CB-CD1 4.14Å; A54-Y71 HydrophobicContact CB-CD2 4.14Å; A54-Y71 HydrophobicContact CB-CG 3.76Å; A54-I124 HydrophobicContact CB-CD1 4.4Å
55	M	89.1	Confident	89.2	Confident	12 Å²	12	69.7 Å²	69.7	6%	0.059	36%	0.358	C	S	.	.	H	α-helix	trans	-65.5	-38.3	178.1	-166	170.7	-156.9	0	0	113.2	I51 M52 E53 K57 L58 K59 F111 D113 P115 I124	I51-M55 WeakPolarHBondContact O-CB 3.34Å; I51-M55 PolarHBondContact O-N 3.12Å; M52-M55 WeakPolarHBondContact O-CB 3.3Å; M52-M55 PolarHBondContact O-N 3Å; E53-M55 VanDerWaalsContact C-N 3.25Å; E53-M55 PolarHBondContact O-N 3.41Å; M55-K57 VanDerWaalsContact C-N 3.33Å; M55-L58 WeakPolarHBondContact O-CB 3.43Å; M55-L58 PolarHBondContact O-N 3.15Å; M55-K59 WeakPolarHBondContact O-CG 3.38Å; M55-K59 PolarHBondContact O-N 3.49Å; M55-F111 HydrophobicContact CE-CE2 4.18Å; M55-D113 VanDerWaalsContact CE-CA 3.46Å; M55-D113 HydrophobicContact CE-CB 3.28Å; M55-D113 WeakPolarHBondContact CE-OD1 3.34Å; M55-D113 WeakPolarHBondContact CE-OD2 3.24Å; M55-P115 HydrophobicContact SD-CG 3.97Å; M55-I124 HydrophobicContact CB-CD1 3.9Å; M55-I124 HydrophobicContact CG-CD1 4.36Å
56	E	91.1	Very high	89.1	Confident	134 Å²	134	74.3 Å²	74.3	63%	0.626	38%	0.38	S	S	*	.	H	α-helix	trans	-64.9	-38.8	175	-163.5	-178.4	153	0	0	111.2	M52 E53 K59 S60	M52-E56 PolarHBondContact O-N 2.97Å; E53-E56 PolarHBondContact O-N 2.81Å; E53-E56 VanDerWaalsContact O-N 3.16Å; E56-K59 PolarHBondContact O-N 2.89Å; E56-S60 WeakPolarHBondContact O-CB 3.12Å; E56-S60 PolarHBondContact O-N 3.11Å; E56-S60 PolarHBondContact O-OG 3.17Å
57	K	90.1	Very high	89.1	Confident	83 Å²	83	67.7 Å²	67.7	36%	0.361	35%	0.348	S	S	.	.	H	α-helix	trans	-63.5	-41.8	172.8	-63.1	-60.4	-178.4	-173.9	0	112.1	E53 A54 M55 S60 G61 M62 V67 Y71	E53-K57 WeakPolarHBondContact O-CG 3.41Å; E53-K57 PolarHBondContact O-N 3.43Å; A54-K57 WeakPolarHBondContact O-CB 3.49Å; A54-K57 PolarHBondContact O-N 2.68Å; M55-K57 VanDerWaalsContact C-N 3.33Å; K57-S60 WeakPolarHBondContact O-CB 3.35Å; K57-S60 PolarHBondContact O-N 3.23Å; K57-G61 PolarHBondContact O-N 3.01Å; K57-M62 HydrophobicContact CB-CB 4.26Å; K57-M62 HydrophobicContact CB-SD 4.03Å; K57-M62 HydrophobicContact CD-CE 4.13Å; K57-M62 HydrophobicContact CG-SD 4.44Å; K57-M62 WeakPolarHBondContact O-CB 3.33Å; K57-M62 PolarHBondContact O-N 2.75Å; K57-V67 HydrophobicContact CB-CG2 3.77Å; K57-Y71 HydrophobicContact CG-CE2 3.99Å
58	L	88.1	Confident	89.1	Confident	13 Å²	13	61 Å²	61	7%	0.068	32%	0.32	C	S	.	.	H	α-helix	trans	-61	-44.5	173.5	-68.8	173.7	0	0	0	111.5	I43 A54 M55 S60 G61 F64 V67 F111 I124	I43-L58 HydrophobicContact CD1-CD1 3.88Å; I43-L58 HydrophobicContact CD1-CD2 4.49Å; I43-L58 HydrophobicContact CD1-CG 4.49Å; A54-L58 WeakPolarHBondContact O-CG 3.19Å; A54-L58 PolarHBondContact O-N 3.21Å; M55-L58 WeakPolarHBondContact O-CB 3.43Å; M55-L58 PolarHBondContact O-N 3.15Å; L58-S60 VanDerWaalsContact C-N 3.25Å; L58-S60 PolarHBondContact O-N 2.79Å; L58-G61 PolarHBondContact O-N 2.76Å; L58-F64 HydrophobicContact CD1-CD2 3.85Å; L58-F64 HydrophobicContact CD1-CE2 3.96Å; L58-F64 HydrophobicContact CD2-CB 3.92Å; L58-F64 HydrophobicContact CD2-CD2 3.6Å; L58-F64 HydrophobicContact CD2-CE2 4.49Å; L58-F64 HydrophobicContact CD2-CG 4Å; L58-F64 HydrophobicContact CG-CD2 4.41Å; L58-V67 HydrophobicContact CD2-CB 4.03Å; L58-V67 HydrophobicContact CD2-CG1 4.42Å; L58-V67 HydrophobicContact CD2-CG2 3.75Å; L58-V67 HydrophobicContact CG-CB 4.35Å; L58-V67 HydrophobicContact CG-CG1 4.22Å; L58-V67 HydrophobicContact CG-CG2 4.07Å; L58-F111 HydrophobicContact CB-CE1 4.25Å; L58-F111 HydrophobicContact CB-CZ 4.07Å; L58-F111 HydrophobicContact CD1-CD2 4.46Å; L58-I124 HydrophobicContact CD1-CD1 4.01Å; L58-I124 HydrophobicContact CD1-CG2 3.94Å
59	K	86.3	Confident	89.2	Confident	126 Å²	126	60.7 Å²	60.7	55%	0.548	32%	0.323	S	S	.	.	H	α-helix	trans	-65.2	-28.8	176.8	-72.6	177.6	179.3	-177.6	0	112.7	M55 E56 G61 D113	M55-K59 WeakPolarHBondContact O-CG 3.38Å; M55-K59 PolarHBondContact O-N 3.49Å; E56-K59 PolarHBondContact O-N 2.89Å; K59-G61 PolarHBondContact O-N 3.47Å; K59-D113 WeakPolarHBondContact CE-OD2 3.44Å; K59-D113 IonicContact NZ-OD2 2.81Å; K59-D113 PolarHBondContact NZ-OD2 3.4Å
60	S	87.4	Confident	89.2	Confident	93 Å²	93	64.8 Å²	64.8	65%	0.65	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-3.6	173.2	-56	0	0	0	0	113.5	E56 K57 L58	E56-S60 WeakPolarHBondContact O-CB 3.12Å; E56-S60 PolarHBondContact O-N 3.11Å; E56-S60 PolarHBondContact O-OG 3.17Å; K57-S60 WeakPolarHBondContact O-CB 3.35Å; K57-S60 PolarHBondContact O-N 3.23Å; L58-S60 VanDerWaalsContact C-N 3.25Å; L58-S60 PolarHBondContact O-N 2.79Å
61	G	84.1	Confident	89.2	Confident	65 Å²	65	62.8 Å²	62.8	67%	0.67	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.8	10.2	-178.4	0	0	0	0	0	114.4	K57 L58 K59	K57-G61 PolarHBondContact O-N 3.01Å; L58-G61 PolarHBondContact O-N 2.76Å; K59-G61 PolarHBondContact O-N 3.47Å
62	M	87.6	Confident	89.2	Confident	57 Å²	57	63.2 Å²	63.2	28%	0.281	33%	0.326	S	S	.	.			trans	-67.9	143.5	173.5	-168.8	174.9	-75.6	0	0	110.3	K57 E66 V67	K57-M62 HydrophobicContact CB-CB 4.26Å; K57-M62 HydrophobicContact CB-SD 4.03Å; K57-M62 HydrophobicContact CD-CE 4.13Å; K57-M62 HydrophobicContact CG-SD 4.44Å; K57-M62 WeakPolarHBondContact O-CB 3.33Å; K57-M62 PolarHBondContact O-N 2.75Å; M62-E66 HydrophobicContact CG-CB 4.13Å; M62-E66 HydrophobicContact SD-CB 4.36Å; M62-V67 HydrophobicContact CB-CG2 3.87Å; M62-V67 HydrophobicContact CG-CG2 3.71Å; M62-V67 HydrophobicContact SD-CG2 3.63Å
63	R	87.4	Confident	89.1	Confident	147 Å²	147	62.7 Å²	62.7	56%	0.555	32%	0.322	S	S	*	.			trans	-67.1	138.1	179.4	-71.3	-163.8	162	171.1	-2.5	111.2	S65 E66 V67	R63-S65 PolarHBondContact O-N 2.81Å; R63-S65 VanDerWaalsContact O-N 3.16Å; R63-E66 HydrophobicContact CB-CG 4.33Å; R63-E66 WeakPolarHBondContact O-CB 3.24Å; R63-E66 PolarHBondContact O-N 2.87Å; R63-V67 PolarHBondContact O-N 3.22Å; R63-V67 VanDerWaalsContact O-N 3.08Å
64	F	88	Confident	88.8	Confident	12 Å²	12	60.5 Å²	60.5	5%	0.053	31%	0.314	C	S	.	.	H	α-helix	trans	-56.1	-37.3	179.8	-162.1	-74.9	0	0	0	112.9	R41 I43 L58 E66 V67 A68 F111 I124 M126	R41-F64 HydrophobicContact CB-CD1 4.47Å; R41-F64 HydrophobicContact CB-CE1 4.17Å; R41-F64 HydrophobicContact CG-CD1 3.66Å; R41-F64 HydrophobicContact CG-CE1 3.58Å; I43-F64 HydrophobicContact CB-CZ 4.46Å; I43-F64 HydrophobicContact CD1-CD1 3.95Å; I43-F64 HydrophobicContact CD1-CD2 4.04Å; I43-F64 HydrophobicContact CD1-CE1 3.64Å; I43-F64 HydrophobicContact CD1-CE2 3.73Å; I43-F64 HydrophobicContact CD1-CG 4.19Å; I43-F64 HydrophobicContact CD1-CZ 3.53Å; I43-F64 HydrophobicContact CG1-CD1 4.08Å; I43-F64 HydrophobicContact CG1-CE1 3.47Å; I43-F64 VanDerWaalsContact CG1-CE1 3.47Å; I43-F64 HydrophobicContact CG1-CE2 4.35Å; I43-F64 HydrophobicContact CG1-CZ 3.64Å; L58-F64 HydrophobicContact CD1-CD2 3.85Å; L58-F64 HydrophobicContact CD1-CE2 3.96Å; L58-F64 HydrophobicContact CD2-CB 3.92Å; L58-F64 HydrophobicContact CD2-CD2 3.6Å; L58-F64 HydrophobicContact CD2-CE2 4.49Å; L58-F64 HydrophobicContact CD2-CG 4Å; L58-F64 HydrophobicContact CG-CD2 4.41Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 2.85Å; F64-V67 PolarHBondContact O-N 3.45Å; F64-A68 HydrophobicContact CD1-CB 4.33Å; F64-A68 HydrophobicContact CE1-CB 4.49Å; F64-A68 WeakPolarHBondContact O-CB 3.48Å; F64-A68 PolarHBondContact O-N 2.88Å; F64-F111 HydrophobicContact CE2-CB 4.22Å; F64-I124 HydrophobicContact CE2-CB 4.45Å; F64-I124 HydrophobicContact CE2-CG2 3.71Å; F64-I124 HydrophobicContact CZ-CB 4.48Å; F64-I124 HydrophobicContact CZ-CG2 4.17Å; F64-M126 HydrophobicContact CB-CE 3.75Å; F64-M126 HydrophobicContact CB-SD 4.28Å; F64-M126 HydrophobicContact CD2-CB 4.32Å; F64-M126 HydrophobicContact CD2-CE 3.39Å; F64-M126 HydrophobicContact CD2-SD 4.34Å; F64-M126 HydrophobicContact CE2-CB 3.97Å; F64-M126 HydrophobicContact CE2-CE 4.09Å; F64-M126 HydrophobicContact CG-CE 3.75Å; F64-M126 HydrophobicContact CG-SD 4.26Å; F64-M126 HydrophobicContact CZ-CB 4.15Å
65	S	88.3	Confident	88.6	Confident	44 Å²	44	64.5 Å²	64.5	31%	0.308	33%	0.331	S	S	.	.	H	α-helix	trans	-58.9	-40.4	175.5	-161.7	0	0	0	0	112.8	R41 R63 T69 G79	R41-S65 PolarHBondContact NH1-OG 3.16Å; R41-S65 VanDerWaalsContact NH1-OG 3.14Å; R63-S65 PolarHBondContact O-N 2.81Å; R63-S65 VanDerWaalsContact O-N 3.16Å; S65-T69 WeakPolarHBondContact O-CB 3.49Å; S65-T69 PolarHBondContact O-N 3.28Å; S65-T69 PolarHBondContact O-OG1 2.9Å; S65-G79 WeakPolarHBondContact O-CA 3.18Å; S65-G79 WeakPolarHBondContact OG-CA 3.4Å
66	E	90.4	Very high	88.5	Confident	97 Å²	97	65 Å²	65	45%	0.453	34%	0.338	S	S	.	.	H	α-helix	trans	-73.1	-46.6	-179.2	-68.1	174.3	-153.6	0	0	110.6	M62 R63 F64 A68 T69 Q70	M62-E66 HydrophobicContact CG-CB 4.13Å; M62-E66 HydrophobicContact SD-CB 4.36Å; R63-E66 HydrophobicContact CB-CG 4.33Å; R63-E66 WeakPolarHBondContact O-CB 3.24Å; R63-E66 PolarHBondContact O-N 2.87Å; F64-E66 VanDerWaalsContact C-N 3.3Å; F64-E66 PolarHBondContact O-N 2.85Å; E66-A68 VanDerWaalsContact C-N 3.29Å; E66-A68 PolarHBondContact O-N 3.18Å; E66-T69 PolarHBondContact O-N 3.24Å; E66-T69 VanDerWaalsContact O-N 3.09Å; E66-Q70 WeakPolarHBondContact O-CG 3.32Å; E66-Q70 PolarHBondContact O-N 3.33Å
67	V	90.8	Very high	88.2	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-58.4	-45.1	175.4	-178.6	0	0	0	0	110.3	I43 A54 K57 L58 M62 R63 F64 T69 Q70 Y71	I43-V67 HydrophobicContact CD1-CB 4.13Å; I43-V67 HydrophobicContact CD1-CG1 3.72Å; A54-V67 HydrophobicContact CB-CG1 3.54Å; A54-V67 WeakPolarHBondContact O-CG1 3.33Å; K57-V67 HydrophobicContact CB-CG2 3.77Å; L58-V67 HydrophobicContact CD2-CB 4.03Å; L58-V67 HydrophobicContact CD2-CG1 4.42Å; L58-V67 HydrophobicContact CD2-CG2 3.75Å; L58-V67 HydrophobicContact CG-CB 4.35Å; L58-V67 HydrophobicContact CG-CG1 4.22Å; L58-V67 HydrophobicContact CG-CG2 4.07Å; M62-V67 HydrophobicContact CB-CG2 3.87Å; M62-V67 HydrophobicContact CG-CG2 3.71Å; M62-V67 HydrophobicContact SD-CG2 3.63Å; R63-V67 PolarHBondContact O-N 3.22Å; R63-V67 VanDerWaalsContact O-N 3.08Å; F64-V67 PolarHBondContact O-N 3.45Å; V67-T69 VanDerWaalsContact C-N 3.32Å; V67-T69 PolarHBondContact O-N 3.27Å; V67-Q70 PolarHBondContact O-N 2.6Å; V67-Y71 HydrophobicContact CG1-CD2 3.8Å; V67-Y71 HydrophobicContact CG1-CE2 4.48Å; V67-Y71 HydrophobicContact CG1-CG 4.47Å; V67-Y71 WeakPolarHBondContact O-CB 3.35Å; V67-Y71 WeakPolarHBondContact O-CD2 3.34Å; V67-Y71 PolarHBondContact O-N 2.88Å
68	A	90.4	Very high	88.1	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-63.2	-37.4	176.2	0	0	0	0	0	112.8	I43 F64 E66 Q70 S72 A76 G79	I43-A68 HydrophobicContact CD1-CB 4.47Å; I43-A68 HydrophobicContact CG1-CB 3.66Å; F64-A68 HydrophobicContact CD1-CB 4.33Å; F64-A68 HydrophobicContact CE1-CB 4.49Å; F64-A68 WeakPolarHBondContact O-CB 3.48Å; F64-A68 PolarHBondContact O-N 2.88Å; E66-A68 VanDerWaalsContact C-N 3.29Å; E66-A68 PolarHBondContact O-N 3.18Å; A68-Q70 VanDerWaalsContact C-N 3.28Å; A68-Q70 PolarHBondContact O-N 3.36Å; A68-S72 WeakPolarHBondContact O-CA 3.43Å; A68-S72 WeakPolarHBondContact O-CB 3.34Å; A68-S72 PolarHBondContact O-N 2.9Å; A68-A76 WeakPolarHBondContact O-CA 3.46Å; A68-G79 VanDerWaalsContact CB-O 3.3Å; A68-G79 WeakPolarHBondContact CB-O 3.37Å
69	T	90	Very high	88	Confident	76 Å²	76	71.3 Å²	71.3	47%	0.466	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-33.4	176.9	-53.9	0	0	0	0	112	S65 E66 V67 A76	S65-T69 WeakPolarHBondContact O-CB 3.49Å; S65-T69 PolarHBondContact O-N 3.28Å; S65-T69 PolarHBondContact O-OG1 2.9Å; E66-T69 PolarHBondContact O-N 3.24Å; E66-T69 VanDerWaalsContact O-N 3.09Å; V67-T69 VanDerWaalsContact C-N 3.32Å; V67-T69 PolarHBondContact O-N 3.27Å; T69-A76 WeakPolarHBondContact CA-O 3.13Å; T69-A76 PolarHBondContact OG1-O 3Å; T69-A76 VanDerWaalsContact OG1-O 3.12Å
70	Q	90.3	Very high	88	Confident	125 Å²	125	65.3 Å²	65.3	58%	0.584	33%	0.331	S	S	*	.	H	α-helix	trans	-85.8	-40.2	-178.5	-68.7	-177.6	23.2	0	0	113.6	E66 V67 A68	E66-Q70 WeakPolarHBondContact O-CG 3.32Å; E66-Q70 PolarHBondContact O-N 3.33Å; V67-Q70 PolarHBondContact O-N 2.6Å; A68-Q70 VanDerWaalsContact C-N 3.28Å; A68-Q70 PolarHBondContact O-N 3.36Å
71	Y	90.6	Very high	88.2	Confident	36 Å²	36	62.4 Å²	62.4	14%	0.141	31%	0.309	C	S	.	.	H	α-helix	trans	-111.1	-27.7	-168.4	-68	-89.8	0	0	0	113.9	C45 E53 A54 K57 V67 E73	C45-Y71 PolarHBondContact SG-O 2.77Å; E53-Y71 HydrophobicContact CB-CD1 4.47Å; E53-Y71 HydrophobicContact CB-CE1 3.74Å; A54-Y71 HydrophobicContact CB-CD1 4.14Å; A54-Y71 HydrophobicContact CB-CD2 4.14Å; A54-Y71 HydrophobicContact CB-CG 3.76Å; K57-Y71 HydrophobicContact CG-CE2 3.99Å; V67-Y71 HydrophobicContact CG1-CD2 3.8Å; V67-Y71 HydrophobicContact CG1-CE2 4.48Å; V67-Y71 HydrophobicContact CG1-CG 4.47Å; V67-Y71 WeakPolarHBondContact O-CB 3.35Å; V67-Y71 WeakPolarHBondContact O-CD2 3.34Å; V67-Y71 PolarHBondContact O-N 2.88Å; Y71-E73 PolarHBondContact O-N 3.43Å
72	S	90.1	Very high	88.3	Confident	10 Å²	10	61.5 Å²	61.5	7%	0.07	29%	0.288	C	S	.	.			trans	-69.9	135.5	-176.5	-161.2	0	0	0	0	110.5	I43 L44 A68 D74 A76	I43-S72 WeakPolarHBondContact CA-OG 3.37Å; L44-S72 PolarHBondContact N-OG 3.49Å; L44-S72 CarbonylContact O-C 3.15Å; L44-S72 WeakPolarHBondContact O-CA 3.42Å; A68-S72 WeakPolarHBondContact O-CA 3.43Å; A68-S72 WeakPolarHBondContact O-CB 3.34Å; A68-S72 PolarHBondContact O-N 2.9Å; S72-D74 VanDerWaalsContact CB-O 3.32Å; S72-D74 WeakPolarHBondContact CB-O 3.42Å; S72-D74 PolarHBondContact OG-N 3.49Å; S72-D74 PolarHBondContact OG-O 3.16Å; S72-A76 WeakPolarHBondContact O-CB 3.49Å
73	E	89.3	Confident	88.3	Confident	84 Å²	84	59.6 Å²	59.6	39%	0.393	28%	0.283	S	S	.	.	S	Bend	trans	-89.4	-13.2	171.7	-71.2	169.1	164.8	0	0	110.9	L44 E46 K50 Y71	L44-E73 PolarHBondContact O-N 3.14Å; E46-E73 WeakPolarHBondContact CG-OE2 3.32Å; E46-E73 PolarHBondContact N-OE2 3.45Å; K50-E73 IonicContact NZ-OE1 2.79Å; K50-E73 PolarHBondContact NZ-OE1 3.47Å; Y71-E73 PolarHBondContact O-N 3.43Å
74	D	85.3	Confident	88.4	Confident	56 Å²	56	59.4 Å²	59.4	30%	0.299	28%	0.283	S	S	.	.	S	Bend	trans	-118.5	140.6	172	-174.6	51.2	0	0	0	112.2	H42 L44 S72 A76	H42-D74 IonicContact CD2-OD2 3.72Å; H42-D74 IonicContact CE1-OD2 3.26Å; H42-D74 PolarHBondContact CE1-OD2 3.19Å; H42-D74 IonicContact NE2-OD2 2.88Å; H42-D74 PolarHBondContact NE2-OD2 2.92Å; L44-D74 HydrophobicContact CB-CB 4.05Å; L44-D74 HydrophobicContact CD2-CB 3.84Å; S72-D74 VanDerWaalsContact CB-O 3.32Å; S72-D74 WeakPolarHBondContact CB-O 3.42Å; S72-D74 PolarHBondContact OG-N 3.49Å; S72-D74 PolarHBondContact OG-O 3.16Å; D74-A76 PolarHBondContact O-N 3.27Å
75	K	85.1	Confident	88.2	Confident	84 Å²	84	60.8 Å²	60.8	37%	0.365	29%	0.29	S	S	.	.	S	Bend	trans	50.6	24	176.5	-65.9	-73.1	-175.5	171.1	0	115.3	R77 Q78 G79 G80	K75-R77 VanDerWaalsContact C-N 3.29Å; K75-R77 PolarHBondContact O-N 2.84Å; K75-Q78 VanDerWaalsContact CD-OE1 3.24Å; K75-Q78 CarbonylContact O-C 3.52Å; K75-Q78 WeakPolarHBondContact O-CA 3.08Å; K75-Q78 PolarHBondContact O-N 3.24Å; K75-G79 PolarHBondContact O-N 2.8Å; K75-G80 PolarHBondContact O-N 2.98Å
76	A	87.2	Confident	88.1	Confident	24 Å²	24	62.3 Å²	62.3	20%	0.198	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-54	-44	-179.3	0	0	0	0	0	112.5	A68 T69 S72 D74 Q78 G79	A68-A76 WeakPolarHBondContact O-CA 3.46Å; T69-A76 WeakPolarHBondContact CA-O 3.13Å; T69-A76 PolarHBondContact OG1-O 3Å; T69-A76 VanDerWaalsContact OG1-O 3.12Å; S72-A76 WeakPolarHBondContact O-CB 3.49Å; D74-A76 PolarHBondContact O-N 3.27Å; A76-Q78 PolarHBondContact O-N 3.43Å; A76-Q78 VanDerWaalsContact O-N 3.11Å; A76-G79 PolarHBondContact O-N 3.03Å
77	R	85.4	Confident	87.6	Confident	251 Å²	251	61.6 Å²	61.6	95%	0.947	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-62.7	-20.2	178	-58.6	-178.3	83.5	174.9	6.6	113.8	K75	K75-R77 VanDerWaalsContact C-N 3.29Å; K75-R77 PolarHBondContact O-N 2.84Å
78	Q	87.6	Confident	87.2	Confident	109 Å²	109	64.8 Å²	64.8	51%	0.509	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-103.4	12.7	178.2	-65.9	170.6	14.7	0	0	110.9	K75 A76 G80 D81	K75-Q78 VanDerWaalsContact CD-OE1 3.24Å; K75-Q78 CarbonylContact O-C 3.52Å; K75-Q78 WeakPolarHBondContact O-CA 3.08Å; K75-Q78 PolarHBondContact O-N 3.24Å; A76-Q78 PolarHBondContact O-N 3.43Å; A76-Q78 VanDerWaalsContact O-N 3.11Å; Q78-G80 PolarHBondContact O-N 2.86Å; Q78-D81 WeakPolarHBondContact O-CB 3.32Å; Q78-D81 PolarHBondContact O-N 3.42Å
79	G	86.2	Confident	86.7	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.01	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	30.7	-175.2	0	0	0	0	0	112.9	R41 S65 A68 K75 A76 D81	R41-G79 VanDerWaalsContact CD-O 3.24Å; R41-G79 WeakPolarHBondContact CD-O 3.37Å; R41-G79 WeakPolarHBondContact CG-O 3.39Å; R41-G79 PolarHBondContact NH1-O 2.91Å; S65-G79 WeakPolarHBondContact O-CA 3.18Å; S65-G79 WeakPolarHBondContact OG-CA 3.4Å; A68-G79 VanDerWaalsContact CB-O 3.3Å; A68-G79 WeakPolarHBondContact CB-O 3.37Å; K75-G79 PolarHBondContact O-N 2.8Å; A76-G79 PolarHBondContact O-N 3.03Å; G79-D81 VanDerWaalsContact C-N 3.31Å; G79-D81 PolarHBondContact O-N 2.85Å
80	G	87.2	Confident	86.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	4.8	180	0	0	0	0	0	115	R41 H42 K75 Q78 L82	R41-G80 CarbonylContact C-O 3.57Å; R41-G80 VanDerWaalsContact CA-O 3.24Å; R41-G80 WeakPolarHBondContact CA-O 3.48Å; R41-G80 VanDerWaalsContact CG-C 3.42Å; R41-G80 WeakPolarHBondContact CG-O 3.42Å; H42-G80 PolarHBondContact N-O 3.32Å; H42-G80 WeakPolarHBondContact O-CA 3.4Å; K75-G80 PolarHBondContact O-N 2.98Å; Q78-G80 PolarHBondContact O-N 2.86Å; G80-L82 PolarHBondContact O-N 2.74Å
81	D	89.9	Confident	86.1	Confident	33 Å²	33	61.8 Å²	61.8	18%	0.176	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	115.5	-178.7	-166.5	1.8	0	0	0	110	K39 Q78 G79 G83	K39-D81 WeakPolarHBondContact CE-OD2 3.36Å; K39-D81 IonicContact NZ-OD1 2.75Å; K39-D81 IonicContact NZ-OD2 2.76Å; K39-D81 PolarHBondContact NZ-OD2 3.28Å; Q78-D81 WeakPolarHBondContact O-CB 3.32Å; Q78-D81 PolarHBondContact O-N 3.42Å; G79-D81 VanDerWaalsContact C-N 3.31Å; G79-D81 PolarHBondContact O-N 2.85Å; D81-G83 VanDerWaalsContact C-N 3.34Å; D81-G83 WeakPolarHBondContact OD1-CA 3.5Å; D81-G83 PolarHBondContact OD1-N 2.99Å
82	L	86.9	Confident	85.9	Confident	45 Å²	45	61.8 Å²	61.8	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-13.8	170.2	-71	112.2	0	0	0	111.7	V40 H42 G80 M85 F94	V40-L82 HydrophobicContact CG2-CB 4.18Å; V40-L82 HydrophobicContact CG2-CD1 4.2Å; V40-L82 PolarHBondContact O-N 3.29Å; H42-L82 HydrophobicContact CB-CD1 3.87Å; H42-L82 WeakPolarHBondContact CD2-CD1 3.34Å; H42-L82 VanDerWaalsContact CG-CD1 3.4Å; G80-L82 PolarHBondContact O-N 2.74Å; L82-M85 HydrophobicContact CB-CG 4.08Å; L82-M85 HydrophobicContact CB-SD 4.48Å; L82-M85 HydrophobicContact CD2-CE 3.98Å; L82-F94 HydrophobicContact CD1-CZ 4Å
83	G	88.3	Confident	85.8	Confident	18 Å²	18	64.4 Å²	64.4	19%	0.186	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	74.8	-151.1	-170.4	0	0	0	0	0	112.1	K39 V40 D81 M85	K39-G83 VanDerWaalsContact CA-O 3.32Å; K39-G83 WeakPolarHBondContact CA-O 3.44Å; V40-G83 PolarHBondContact N-O 3.3Å; D81-G83 VanDerWaalsContact C-N 3.34Å; D81-G83 WeakPolarHBondContact OD1-CA 3.5Å; D81-G83 PolarHBondContact OD1-N 2.99Å; G83-M85 PolarHBondContact O-N 3.39Å
84	W	88.7	Confident	85.8	Confident	142 Å²	142	60.8 Å²	60.8	54%	0.538	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	110.2	-176.7	-69.2	91.1	0	0	0	110.9	A37 K39 K131	A37-W84 HydrophobicContact CB-CE3 3.94Å; K39-W84 HydrophobicContact CB-CD2 3.98Å; K39-W84 HydrophobicContact CB-CE3 4.19Å; K39-W84 HydrophobicContact CB-CG 4.45Å; K39-W84 HydrophobicContact CB-CH2 4.49Å; K39-W84 HydrophobicContact CB-CZ2 4.28Å; K39-W84 HydrophobicContact CB-CZ3 4.44Å; W84-K131 HydrophobicContact CH2-CB 4.02Å; W84-K131 HydrophobicContact CZ3-CB 3.6Å
85	M	85.2	Confident	85.9	Confident	42 Å²	42	59.5 Å²	59.5	21%	0.207	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.9	176.5	-66.8	-64.7	-94.3	0	0	110.4	A37 V38 V40 L82 G83 M90	A37-M85 CarbonylContact C-O 3.46Å; A37-M85 VanDerWaalsContact CA-O 3.22Å; A37-M85 WeakPolarHBondContact CA-O 3.46Å; V38-M85 PolarHBondContact N-O 3.16Å; V38-M85 PolarHBondContact O-N 2.91Å; V40-M85 HydrophobicContact CG2-CB 3.9Å; V40-M85 HydrophobicContact CG2-CG 3.58Å; L82-M85 HydrophobicContact CB-CG 4.08Å; L82-M85 HydrophobicContact CB-SD 4.48Å; L82-M85 HydrophobicContact CD2-CE 3.98Å; G83-M85 PolarHBondContact O-N 3.39Å; M85-M90 HydrophobicContact CB-CE 3.8Å; M85-M90 HydrophobicContact CB-CG 3.95Å; M85-M90 HydrophobicContact CB-SD 3.55Å; M85-M90 VanDerWaalsContact CB-SD 3.55Å; M85-M90 HydrophobicContact CE-CG 3.73Å; M85-M90 HydrophobicContact CG-CG 4.3Å; M85-M90 HydrophobicContact CG-SD 4.15Å
86	T	85.2	Confident	85.9	Confident	75 Å²	75	62.2 Å²	62.2	46%	0.46	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	153.1	178.2	52.9	0	0	0	0	111.5	N36 A37 G88 S89	N36-T86 CarbonylContact O-C 3.47Å; N36-T86 WeakPolarHBondContact O-CA 3.14Å; N36-T86 WeakPolarHBondContact O-CB 3.49Å; A37-T86 HydrophobicContact CB-CG2 4.13Å; T86-G88 PolarHBondContact O-N 3.05Å; T86-S89 PolarHBondContact N-OG 2.77Å; T86-S89 PolarHBondContact O-N 2.81Å; T86-S89 VanDerWaalsContact O-N 3.11Å; T86-S89 PolarHBondContact O-OG 3.38Å
87	R	80.6	Confident	86	Confident	82 Å²	82	61.8 Å²	61.8	31%	0.309	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	121.2	171.8	-160.9	175.1	-173.8	153.6	4.8	108.9	P31 N36 Q95 F99	P31-R87 PolarHBondContact O-NH1 2.92Å; N36-R87 PolarHBondContact O-N 3.19Å; R87-Q95 HydrophobicContact CG-CG 4.39Å; R87-F99 HydrophobicContact CB-CE2 3.95Å; R87-F99 HydrophobicContact CB-CZ 3.74Å; R87-F99 HydrophobicContact CG-CE2 3.91Å; R87-F99 HydrophobicContact CG-CZ 4.05Å
88	G	81.1	Confident	86.1	Confident	67 Å²	67	49.8 Å²	49.8	69%	0.691	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.1	-18.3	-175.7	0	0	0	0	0	114.6	T86	T86-G88 PolarHBondContact O-N 3.05Å
89	S	79.7	Confident	86	Confident	62 Å²	62	45.6 Å²	45.6	43%	0.434	26%	0.263	S	S	.	.	S	Bend	trans	-89.1	-3.1	178.3	75.3	0	0	0	0	113.9	T86	T86-S89 PolarHBondContact N-OG 2.77Å; T86-S89 PolarHBondContact O-N 2.81Å; T86-S89 VanDerWaalsContact O-N 3.11Å; T86-S89 PolarHBondContact O-OG 3.38Å
90	M	82.7	Confident	86	Confident	22 Å²	22	49.5 Å²	49.5	11%	0.108	30%	0.295	C	S	.	.	S	Bend	trans	-114.3	156.5	-176.5	-67.3	175.1	-77.3	0	0	110.9	V38 V40 M85 F94 Q95 F99	V38-M90 HydrophobicContact CG2-CE 3.8Å; V40-M90 HydrophobicContact CG2-SD 4.32Å; M85-M90 HydrophobicContact CB-CE 3.8Å; M85-M90 HydrophobicContact CB-CG 3.95Å; M85-M90 HydrophobicContact CB-SD 3.55Å; M85-M90 VanDerWaalsContact CB-SD 3.55Å; M85-M90 HydrophobicContact CE-CG 3.73Å; M85-M90 HydrophobicContact CG-CG 4.3Å; M85-M90 HydrophobicContact CG-SD 4.15Å; M90-F94 HydrophobicContact CB-CD1 3.98Å; M90-F94 HydrophobicContact CG-CD1 3.95Å; M90-F94 HydrophobicContact CG-CE1 4.18Å; M90-F94 HydrophobicContact SD-CD1 3.5Å; M90-F94 WeakPolarHBondContact SD-CD1 3.12Å; M90-F94 HydrophobicContact SD-CE1 3.44Å; M90-F94 WeakPolarHBondContact SD-CE1 3.24Å; M90-Q95 HydrophobicContact CB-CB 4.02Å; M90-Q95 HydrophobicContact CE-CB 4.45Å; M90-Q95 HydrophobicContact CE-CG 4.17Å; M90-F99 HydrophobicContact CE-CD2 4.4Å; M90-F99 HydrophobicContact CE-CE2 3.74Å
91	V	85.9	Confident	85.8	Confident	54 Å²	54	50.5 Å²	50.5	33%	0.327	30%	0.3	S	S	.	.			trans	-65	142.7	172.6	-63.3	0	0	0	0	110.5	F94 Q95 T118 F120	V91-F94 HydrophobicContact CG2-CB 3.36Å; V91-F94 HydrophobicContact CG2-CG 4.4Å; V91-F94 WeakPolarHBondContact O-CB 3.45Å; V91-F94 PolarHBondContact O-N 2.83Å; V91-Q95 PolarHBondContact O-N 3.34Å; V91-T118 HydrophobicContact CG2-CG2 3.72Å; V91-F120 HydrophobicContact CG1-CE2 3.87Å
92	G	86.8	Confident	85.5	Confident	37 Å²	37	52.5 Å²	52.5	38%	0.381	32%	0.315	S	S	.	.	H	α-helix	trans	-44.9	-55	-174	0	0	0	0	0	114.7	F94 Q95 E96	G92-F94 VanDerWaalsContact C-N 3.34Å; G92-F94 PolarHBondContact O-N 2.67Å; G92-Q95 PolarHBondContact O-N 3.19Å; G92-E96 WeakPolarHBondContact O-CG 3.47Å; G92-E96 PolarHBondContact O-N 2.82Å
93	P	88.1	Confident	85.4	Confident	64 Å²	64	55.1 Å²	55.1	42%	0.416	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-38.4	-179.4	-20.9	31.5	0	0	0	113.2	A97 V116 T118	P93-A97 WeakPolarHBondContact O-CB 3.4Å; P93-A97 PolarHBondContact O-N 2.96Å; P93-A97 VanDerWaalsContact O-N 3.13Å; P93-V116 HydrophobicContact CB-CG1 3.91Å; P93-T118 HydrophobicContact CB-CG2 4.44Å
94	F	88.6	Confident	85	Confident	9 Å²	9	54.8 Å²	54.8	4%	0.039	32%	0.323	C	S	.	.	H	α-helix	trans	-66	-45.3	177.5	-176.1	-76.6	0	0	0	110.7	V40 H42 L82 M90 V91 G92 A97 A98 T118 H123 I125	V40-F94 HydrophobicContact CG2-CE1 4.15Å; V40-F94 HydrophobicContact CG2-CZ 4.41Å; H42-F94 HydrophobicContact CB-CE2 3.66Å; H42-F94 HydrophobicContact CB-CZ 3.94Å; H42-F94 AromaticContact CG-CE2 3.89Å; H42-F94 AromaticContact ND1-CE2 3.37Å; H42-F94 WeakPolarHBondContact ND1-CE2 3.22Å; H42-F94 AromaticContact ND1-CZ 3.99Å; L82-F94 HydrophobicContact CD1-CZ 4Å; M90-F94 HydrophobicContact CB-CD1 3.98Å; M90-F94 HydrophobicContact CG-CD1 3.95Å; M90-F94 HydrophobicContact CG-CE1 4.18Å; M90-F94 HydrophobicContact SD-CD1 3.5Å; M90-F94 WeakPolarHBondContact SD-CD1 3.12Å; M90-F94 HydrophobicContact SD-CE1 3.44Å; M90-F94 WeakPolarHBondContact SD-CE1 3.24Å; V91-F94 HydrophobicContact CG2-CB 3.36Å; V91-F94 HydrophobicContact CG2-CG 4.4Å; V91-F94 WeakPolarHBondContact O-CB 3.45Å; V91-F94 PolarHBondContact O-N 2.83Å; G92-F94 VanDerWaalsContact C-N 3.34Å; G92-F94 PolarHBondContact O-N 2.67Å; F94-A97 PolarHBondContact O-N 2.86Å; F94-A98 HydrophobicContact CD1-CB 4.42Å; F94-A98 HydrophobicContact CE1-CB 4.32Å; F94-A98 VanDerWaalsContact O-CB 3.24Å; F94-A98 WeakPolarHBondContact O-CB 3.27Å; F94-A98 PolarHBondContact O-N 2.84Å; F94-T118 HydrophobicContact CB-CG2 4.38Å; F94-H123 HydrophobicContact CD2-CB 4.19Å; F94-H123 AromaticContact CD2-ND1 3.97Å; F94-H123 HydrophobicContact CE2-CB 4.4Å; F94-I125 HydrophobicContact CB-CD1 4.16Å; F94-I125 HydrophobicContact CD1-CD1 4.08Å; F94-I125 HydrophobicContact CD2-CD1 3.32Å; F94-I125 HydrophobicContact CD2-CG1 3.8Å; F94-I125 HydrophobicContact CE1-CD1 4.28Å; F94-I125 HydrophobicContact CE1-CG2 4.24Å; F94-I125 HydrophobicContact CE2-CD1 3.57Å; F94-I125 HydrophobicContact CE2-CG1 3.55Å; F94-I125 HydrophobicContact CE2-CG2 4.28Å; F94-I125 HydrophobicContact CG-CD1 3.6Å; F94-I125 HydrophobicContact CG-CG1 4.49Å; F94-I125 HydrophobicContact CZ-CD1 4.04Å; F94-I125 HydrophobicContact CZ-CG1 4.04Å; F94-I125 HydrophobicContact CZ-CG2 3.88Å
95	Q	86.8	Confident	84	Confident	29 Å²	29	50.1 Å²	50.1	14%	0.136	32%	0.319	C	S	.	.	H	α-helix	trans	-61.1	-49.8	178.4	-178.3	-178.5	-91.1	0	0	111	R87 M90 V91 G92 A97 A98 F99	R87-Q95 HydrophobicContact CG-CG 4.39Å; M90-Q95 HydrophobicContact CB-CB 4.02Å; M90-Q95 HydrophobicContact CE-CB 4.45Å; M90-Q95 HydrophobicContact CE-CG 4.17Å; V91-Q95 PolarHBondContact O-N 3.34Å; G92-Q95 PolarHBondContact O-N 3.19Å; Q95-A97 VanDerWaalsContact C-N 3.3Å; Q95-A97 PolarHBondContact O-N 2.81Å; Q95-A98 PolarHBondContact O-N 3.26Å; Q95-F99 HydrophobicContact CG-CD2 3.54Å; Q95-F99 HydrophobicContact CG-CE2 3.78Å; Q95-F99 WeakPolarHBondContact O-CB 3.43Å; Q95-F99 VanDerWaalsContact O-CD2 3.3Å; Q95-F99 WeakPolarHBondContact O-CD2 3.35Å; Q95-F99 PolarHBondContact O-N 3.37Å
96	E	86.7	Confident	83	Confident	140 Å²	140	53.4 Å²	53.4	65%	0.654	34%	0.335	S	S	*	.	H	α-helix	trans	-58.8	-45	-178.8	-73.9	176.3	-168	0	0	111.2	G92 F99 A100	G92-E96 WeakPolarHBondContact O-CG 3.47Å; G92-E96 PolarHBondContact O-N 2.82Å; E96-F99 PolarHBondContact O-N 2.82Å; E96-A100 WeakPolarHBondContact O-CB 3.25Å; E96-A100 PolarHBondContact O-N 2.8Å
97	A	88.3	Confident	82.1	Confident	15 Å²	15	57.3 Å²	57.3	12%	0.124	35%	0.353	C	S	.	.	H	α-helix	trans	-62.4	-47.9	174.2	0	0	0	0	0	112.9	P93 F94 Q95 F99 A100 L101 T112 V116 I125	P93-A97 WeakPolarHBondContact O-CB 3.4Å; P93-A97 PolarHBondContact O-N 2.96Å; P93-A97 VanDerWaalsContact O-N 3.13Å; F94-A97 PolarHBondContact O-N 2.86Å; Q95-A97 VanDerWaalsContact C-N 3.3Å; Q95-A97 PolarHBondContact O-N 2.81Å; A97-F99 VanDerWaalsContact C-N 3.32Å; A97-F99 PolarHBondContact O-N 2.77Å; A97-A100 PolarHBondContact O-N 3.25Å; A97-L101 VanDerWaalsContact O-CG 3.27Å; A97-L101 WeakPolarHBondContact O-CG 3.47Å; A97-L101 PolarHBondContact O-N 2.77Å; A97-T112 HydrophobicContact CB-CG2 3.75Å; A97-V116 HydrophobicContact CB-CG1 4.44Å; A97-V116 HydrophobicContact CB-CG2 3.5Å; A97-I125 HydrophobicContact CB-CD1 3.78Å
98	A	87.3	Confident	81.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-60.4	-39	177.7	0	0	0	0	0	112.7	V38 V40 F94 Q95 I125 V127	V38-A98 HydrophobicContact CG2-CB 4.46Å; V40-A98 HydrophobicContact CG1-CB 3.87Å; F94-A98 HydrophobicContact CD1-CB 4.42Å; F94-A98 HydrophobicContact CE1-CB 4.32Å; F94-A98 VanDerWaalsContact O-CB 3.24Å; F94-A98 WeakPolarHBondContact O-CB 3.27Å; F94-A98 PolarHBondContact O-N 2.84Å; Q95-A98 PolarHBondContact O-N 3.26Å; A98-I125 HydrophobicContact CB-CG2 4.08Å; A98-V127 WeakPolarHBondContact O-CG2 3.3Å
99	F	84.9	Confident	81.5	Confident	21 Å²	21	61 Å²	61	9%	0.092	36%	0.357	C	S	.	.	H	α-helix	trans	-82	-22.1	179.2	-84.4	-83.5	0	0	0	113.6	G35 V38 R87 M90 Q95 E96 A97 R130	G35-F99 WeakPolarHBondContact O-CE1 3.47Å; V38-F99 HydrophobicContact CG1-CD1 4.05Å; V38-F99 HydrophobicContact CG1-CE1 3.72Å; V38-F99 HydrophobicContact CG1-CE2 4.45Å; V38-F99 HydrophobicContact CG1-CZ 3.95Å; V38-F99 HydrophobicContact CG2-CD2 4.46Å; V38-F99 HydrophobicContact CG2-CE2 3.96Å; V38-F99 HydrophobicContact CG2-CZ 4.04Å; R87-F99 HydrophobicContact CB-CE2 3.95Å; R87-F99 HydrophobicContact CB-CZ 3.74Å; R87-F99 HydrophobicContact CG-CE2 3.91Å; R87-F99 HydrophobicContact CG-CZ 4.05Å; M90-F99 HydrophobicContact CE-CD2 4.4Å; M90-F99 HydrophobicContact CE-CE2 3.74Å; Q95-F99 HydrophobicContact CG-CD2 3.54Å; Q95-F99 HydrophobicContact CG-CE2 3.78Å; Q95-F99 WeakPolarHBondContact O-CB 3.43Å; Q95-F99 VanDerWaalsContact O-CD2 3.3Å; Q95-F99 WeakPolarHBondContact O-CD2 3.35Å; Q95-F99 PolarHBondContact O-N 3.37Å; E96-F99 PolarHBondContact O-N 2.82Å; A97-F99 VanDerWaalsContact C-N 3.32Å; A97-F99 PolarHBondContact O-N 2.77Å; F99-R130 PolarHBondContact O-NH1 3.22Å
100	A	86.3	Confident	81.6	Confident	83 Å²	83	60.7 Å²	60.7	69%	0.686	35%	0.353	S	S	*	.	H	α-helix	trans	-76.8	-29.6	172.3	0	0	0	0	0	112.1	E96 A97	E96-A100 WeakPolarHBondContact O-CB 3.25Å; E96-A100 PolarHBondContact O-N 2.8Å; A97-A100 PolarHBondContact O-N 3.25Å
101	L	84.4	Confident	81.8	Confident	20 Å²	20	61.4 Å²	61.4	11%	0.105	36%	0.356	C	S	.	.	S	Bend	trans	-71.2	134.1	176	-74.3	169.1	0	0	0	111.3	A97 V110 T112 I125 V127	A97-L101 VanDerWaalsContact O-CG 3.27Å; A97-L101 WeakPolarHBondContact O-CG 3.47Å; A97-L101 PolarHBondContact O-N 2.77Å; L101-V110 HydrophobicContact CD2-CG1 3.81Å; L101-T112 HydrophobicContact CD1-CG2 3.63Å; L101-T112 HydrophobicContact CD2-CG2 4.38Å; L101-T112 HydrophobicContact CG-CG2 4.14Å; L101-I125 HydrophobicContact CD1-CB 4.13Å; L101-I125 HydrophobicContact CD1-CG2 4.3Å; L101-I125 WeakPolarHBondContact CD1-O 3.13Å; L101-V127 HydrophobicContact CB-CG2 3.67Å; L101-V127 HydrophobicContact CD1-CG2 4.32Å
102	P	84	Confident	81.8	Confident	76 Å²	76	59.6 Å²	59.6	49%	0.494	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-71	155	169.5	31.3	-34.2	0	0	0	110.6	S104 V110	P102-S104 PolarHBondContact O-N 2.7Å; P102-S104 PolarHBondContact O-OG 3.3Å; P102-V110 HydrophobicContact CG-CB 4.25Å; P102-V110 HydrophobicContact CG-CG1 3.97Å; P102-V110 HydrophobicContact CG-CG2 4.29Å
103	I	84.4	Confident	81.7	Confident	100 Å²	100	62.4 Å²	62.4	51%	0.513	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-59.6	128.1	169.7	-60.1	161.1	0	0	0	108.2	V127 E128 R130	I103-V127 HydrophobicContact CG1-CG1 4.21Å; I103-E128 VanDerWaalsContact CG2-O 3.32Å; I103-E128 WeakPolarHBondContact CG2-O 3.45Å; I103-R130 HydrophobicContact CD1-CB 3.76Å; I103-R130 HydrophobicContact CG1-CB 3.84Å
104	S	79.4	Confident	81.6	Confident	11 Å²	11	64.1 Å²	64.1	8%	0.077	36%	0.362	C	S	.	.			trans	-138.2	149.8	-179.3	43.3	0	0	0	0	111.5	P102 K108 V110 V127	P102-S104 PolarHBondContact O-N 2.7Å; P102-S104 PolarHBondContact O-OG 3.3Å; S104-K108 WeakPolarHBondContact CB-O 3.37Å; S104-V110 VanDerWaalsContact CB-N 3.28Å; S104-V110 WeakPolarHBondContact OG-CA 3.27Å; S104-V110 WeakPolarHBondContact OG-CB 3.47Å; S104-V110 PolarHBondContact OG-N 2.89Å; S104-V110 PolarHBondContact OG-O 3.07Å; S104-V127 PolarHBondContact N-O 3.33Å; S104-V127 PolarHBondContact OG-O 3.31Å
105	G	68.2	Low	81.6	Confident	43 Å²	43	64.7 Å²	64.7	44%	0.443	37%	0.367	S	S	.	.			trans	-101	171.2	179.4	0	0	0	0	0	112	D107 K108 P109	G105-D107 PolarHBondContact O-N 3.24Å; G105-D107 VanDerWaalsContact O-N 3.16Å; G105-K108 CarbonylContact O-C 3.51Å; G105-K108 PolarHBondContact O-N 2.78Å; G105-P109 WeakPolarHBondContact O-CA 3.34Å; G105-P109 VanDerWaalsContact O-N 3.12Å
106	M	64.2	Low	81.8	Confident	112 Å²	112	64.3 Å²	64.3	55%	0.552	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.5	179.7	-73.5	-173.5	-104	0	0	114
107	D	65.9	Low	81.9	Confident	156 Å²	156	64.3 Å²	64.3	83%	0.834	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-31.6	177.7	-60.4	-81.2	0	0	0	113.6	G105	G105-D107 PolarHBondContact O-N 3.24Å; G105-D107 VanDerWaalsContact O-N 3.16Å
108	K	70.6	Confident	82	Confident	175 Å²	175	64.5 Å²	64.5	76%	0.761	36%	0.364	S	S	*	.	S	Bend	trans	-135.9	70.2	175.9	-68.7	-174.8	-176.8	179.1	0	108.6	S104 G105 V110	S104-K108 WeakPolarHBondContact CB-O 3.37Å; G105-K108 CarbonylContact O-C 3.51Å; G105-K108 PolarHBondContact O-N 2.78Å; K108-V110 PolarHBondContact O-N 2.88Å; K108-V110 VanDerWaalsContact O-N 3.17Å
109	P	77.6	Confident	82	Confident	51 Å²	51	74.5 Å²	74.5	33%	0.331	41%	0.407	S	S	.	.			trans	-66.8	116.4	-175.3	26.5	-32.8	0	0	0	109.2	G105 F111 M126	G105-P109 WeakPolarHBondContact O-CA 3.34Å; G105-P109 VanDerWaalsContact O-N 3.12Å; P109-F111 HydrophobicContact CB-CD1 4.14Å; P109-F111 HydrophobicContact CB-CE1 4.47Å; P109-F111 HydrophobicContact CG-CE1 4.35Å; P109-F111 WeakPolarHBondContact O-CD1 3.09Å; P109-M126 HydrophobicContact CB-CE 3.18Å
110	V	83.1	Confident	82.1	Confident	57 Å²	57	79.4 Å²	79.4	35%	0.345	43%	0.429	S	S	.	.			trans	-96.6	111.1	170.4	-171.6	0	0	0	0	106.4	L101 P102 S104 K108	L101-V110 HydrophobicContact CD2-CG1 3.81Å; P102-V110 HydrophobicContact CG-CB 4.25Å; P102-V110 HydrophobicContact CG-CG1 3.97Å; P102-V110 HydrophobicContact CG-CG2 4.29Å; S104-V110 VanDerWaalsContact CB-N 3.28Å; S104-V110 WeakPolarHBondContact OG-CA 3.27Å; S104-V110 WeakPolarHBondContact OG-CB 3.47Å; S104-V110 PolarHBondContact OG-N 2.89Å; S104-V110 PolarHBondContact OG-O 3.07Å; K108-V110 PolarHBondContact O-N 2.88Å; K108-V110 VanDerWaalsContact O-N 3.17Å
111	F	87.3	Confident	82.3	Confident	37 Å²	37	76 Å²	76	16%	0.162	40%	0.402	C	S	.	.	B	Isolated β-bridge	trans	-122.4	163.4	177.8	51.6	-94.6	0	0	0	110.4	M55 L58 F64 P109 D113 I124 I125	M55-F111 HydrophobicContact CE-CE2 4.18Å; L58-F111 HydrophobicContact CB-CE1 4.25Å; L58-F111 HydrophobicContact CB-CZ 4.07Å; L58-F111 HydrophobicContact CD1-CD2 4.46Å; F64-F111 HydrophobicContact CE2-CB 4.22Å; P109-F111 HydrophobicContact CB-CD1 4.14Å; P109-F111 HydrophobicContact CB-CE1 4.47Å; P109-F111 HydrophobicContact CG-CE1 4.35Å; P109-F111 WeakPolarHBondContact O-CD1 3.09Å; F111-D113 PolarHBondContact O-N 2.86Å; F111-I124 HydrophobicContact CB-CG2 3.79Å; F111-I124 HydrophobicContact CD2-CG2 3.99Å; F111-I124 HydrophobicContact CG-CG2 4.15Å; F111-I125 CarbonylContact C-O 3.53Å; F111-I125 WeakPolarHBondContact CA-O 3.45Å; F111-I125 WeakPolarHBondContact CB-O 3.35Å
112	T	85.9	Confident	82.7	Confident	16 Å²	16	77.3 Å²	77.3	10%	0.098	41%	0.405	C	S	.	.			trans	-66.2	118.3	175.5	47.4	0	0	0	0	111.7	A97 L101 P114 V116 I125	A97-T112 HydrophobicContact CB-CG2 3.75Å; L101-T112 HydrophobicContact CD1-CG2 3.63Å; L101-T112 HydrophobicContact CD2-CG2 4.38Å; L101-T112 HydrophobicContact CG-CG2 4.14Å; T112-P114 CarbonylContact C-O 3.6Å; T112-V116 HydrophobicContact CG2-CG2 3.61Å; T112-I125 HydrophobicContact CG2-CB 4.25Å; T112-I125 PolarHBondContact N-O 3.18Å; T112-I125 PolarHBondContact OG1-N 3.44Å
113	D	84.1	Confident	83.1	Confident	96 Å²	96	73.9 Å²	73.9	51%	0.513	38%	0.383	S	S	.	.	S	Bend	trans	-125.4	111.9	166	-172.7	-7.4	0	0	0	108.4	M55 K59 F111	M55-D113 VanDerWaalsContact CE-CA 3.46Å; M55-D113 HydrophobicContact CE-CB 3.28Å; M55-D113 WeakPolarHBondContact CE-OD1 3.34Å; M55-D113 WeakPolarHBondContact CE-OD2 3.24Å; K59-D113 WeakPolarHBondContact CE-OD2 3.44Å; K59-D113 IonicContact NZ-OD2 2.81Å; K59-D113 PolarHBondContact NZ-OD2 3.4Å; F111-D113 PolarHBondContact O-N 2.86Å
114	P	85.3	Confident	83.4	Confident	99 Å²	99	69.1 Å²	69.1	64%	0.643	36%	0.359	S	S	*	.	S	Bend	cis	-79.3	170.2	6.7	31.8	-36.4	0	0	0	115	T112	T112-P114 CarbonylContact C-O 3.6Å
115	P	89	Confident	84	Confident	21 Å²	21	68.6 Å²	68.6	14%	0.136	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-59.4	139	176	-21.5	32.5	0	0	0	112.9	I51 M55 K117 Y122 H123 I124	I51-P115 HydrophobicContact CG1-CB 3.9Å; I51-P115 HydrophobicContact CG1-CG 4.03Å; I51-P115 HydrophobicContact CG2-CB 4.17Å; I51-P115 HydrophobicContact CG2-CG 3.96Å; M55-P115 HydrophobicContact SD-CG 3.97Å; P115-K117 PolarHBondContact O-N 3.13Å; P115-Y122 HydrophobicContact CB-CD1 4.43Å; P115-H123 CarbonylContact C-O 3.48Å; P115-I124 HydrophobicContact CB-CG1 4.18Å; P115-I124 HydrophobicContact CG-CG1 4.19Å
116	V	91	Very high	84.9	Confident	21 Å²	21	66.7 Å²	66.7	13%	0.127	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	117.2	-178.9	-177.3	0	0	0	0	109.9	P93 A97 T112 T118 Y122 H123 I125	P93-V116 HydrophobicContact CB-CG1 3.91Å; A97-V116 HydrophobicContact CB-CG1 4.44Å; A97-V116 HydrophobicContact CB-CG2 3.5Å; T112-V116 HydrophobicContact CG2-CG2 3.61Å; V116-T118 HydrophobicContact CG1-CG2 4.24Å; V116-Y122 CarbonylContact O-C 3.56Å; V116-Y122 WeakPolarHBondContact O-CA 3.35Å; V116-H123 HydrophobicContact CB-CB 4.4Å; V116-H123 PolarHBondContact N-O 3.47Å; V116-H123 PolarHBondContact O-N 2.85Å; V116-I125 HydrophobicContact CB-CD1 4.26Å; V116-I125 HydrophobicContact CG2-CD1 3.91Å; V116-I125 HydrophobicContact CG2-CG1 4.47Å
117	K	89.3	Confident	86.2	Confident	141 Å²	141	61.4 Å²	61.4	61%	0.613	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	127.4	174.5	-169.6	176.4	-178.9	176.2	0	110.7	P115 G121 Y122	P115-K117 PolarHBondContact O-N 3.13Å; K117-G121 CarbonylContact C-O 2.98Å; K117-G121 WeakPolarHBondContact CA-O 3.5Å; K117-Y122 HydrophobicContact CB-CD1 4.12Å; K117-Y122 HydrophobicContact CB-CE1 3.99Å; K117-Y122 HydrophobicContact CD-CE1 3.97Å; K117-Y122 HydrophobicContact CG-CD1 4.35Å; K117-Y122 HydrophobicContact CG-CE1 3.97Å
118	T	89.5	Confident	87.2	Confident	18 Å²	18	56.4 Å²	56.4	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	-175.6	172	85.4	0	0	0	0	110.1	V91 P93 F94 V116 F120 G121 H123	V91-T118 HydrophobicContact CG2-CG2 3.72Å; P93-T118 HydrophobicContact CB-CG2 4.44Å; F94-T118 HydrophobicContact CB-CG2 4.38Å; V116-T118 HydrophobicContact CG1-CG2 4.24Å; T118-F120 PolarHBondContact O-N 2.88Å; T118-F120 PolarHBondContact OG1-N 2.81Å; T118-F120 VanDerWaalsContact OG1-N 3.07Å; T118-G121 PolarHBondContact N-O 2.93Å; T118-G121 PolarHBondContact O-N 2.85Å; T118-H123 WeakPolarHBondContact CG2-CD2 3.37Å; T118-H123 PolarHBondContact OG1-CD2 3.38Å; T118-H123 PolarHBondContact OG1-NE2 3Å
119	K	88	Confident	87.9	Confident	211 Å²	211	48.6 Å²	48.6	92%	0.917	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.8	173.8	-63.7	-177.7	178.3	179.2	0	113.2
120	F	86.6	Confident	88.2	Confident	124 Å²	124	50.2 Å²	50.2	54%	0.544	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-13.5	179.5	-58.5	-72	0	0	0	113.1	L44 E46 V91 T118	L44-F120 HydrophobicContact CD1-CB 3.95Å; L44-F120 HydrophobicContact CD2-CB 4.13Å; E46-F120 WeakPolarHBondContact CG-O 3.41Å; V91-F120 HydrophobicContact CG1-CE2 3.87Å; T118-F120 PolarHBondContact O-N 2.88Å; T118-F120 PolarHBondContact OG1-N 2.81Å; T118-F120 VanDerWaalsContact OG1-N 3.07Å
121	G	90.6	Very high	88	Confident	11 Å²	11	56.2 Å²	56.2	11%	0.113	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	132	-144.3	-174.3	0	0	0	0	0	111.9	K117 T118	K117-G121 CarbonylContact C-O 2.98Å; K117-G121 WeakPolarHBondContact CA-O 3.5Å; T118-G121 PolarHBondContact N-O 2.93Å; T118-G121 PolarHBondContact O-N 2.85Å
122	Y	93.1	Very high	88	Confident	47 Å²	47	57.2 Å²	57.2	18%	0.184	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.7	-179.2	-62.8	-89.7	0	0	0	110.5	L44 C45 H48 I51 P115 V116 K117	L44-Y122 CarbonylContact C-O 3.59Å; L44-Y122 WeakPolarHBondContact CA-O 3.47Å; C45-Y122 PolarHBondContact N-O 2.83Å; C45-Y122 PolarHBondContact O-N 3.25Å; H48-Y122 HydrophobicContact CB-CD2 4.18Å; H48-Y122 HydrophobicContact CB-CE2 3.66Å; H48-Y122 AromaticContact CD2-CD1 3.88Å; H48-Y122 AromaticContact CD2-CE1 3.51Å; H48-Y122 AromaticContact CD2-CE2 3.97Å; H48-Y122 AromaticContact CD2-CZ 3.56Å; I51-Y122 HydrophobicContact CG2-CD2 4.48Å; I51-Y122 HydrophobicContact CG2-CG 3.98Å; P115-Y122 HydrophobicContact CB-CD1 4.43Å; V116-Y122 CarbonylContact O-C 3.56Å; V116-Y122 WeakPolarHBondContact O-CA 3.35Å; K117-Y122 HydrophobicContact CB-CD1 4.12Å; K117-Y122 HydrophobicContact CB-CE1 3.99Å; K117-Y122 HydrophobicContact CD-CE1 3.97Å; K117-Y122 HydrophobicContact CG-CD1 4.35Å; K117-Y122 HydrophobicContact CG-CE1 3.97Å
123	H	91.2	Very high	88.1	Confident	5 Å²	5	59.4 Å²	59.4	2%	0.023	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127.2	-177.6	-58.9	-105.6	0	0	0	110.1	H42 I43 L44 F94 P115 V116 T118 I125	H42-H123 AromaticContact CE1-ND1 4Å; H42-H123 AromaticContact ND1-ND1 3.34Å; H42-H123 PolarHBondContact ND1-ND1 3.02Å; I43-H123 CarbonylContact O-C 3.5Å; I43-H123 WeakPolarHBondContact O-CA 3.43Å; L44-H123 WeakPolarHBondContact CD1-CE1 3.49Å; L44-H123 VanDerWaalsContact CD1-NE2 3.35Å; L44-H123 WeakPolarHBondContact CD1-NE2 3.47Å; F94-H123 HydrophobicContact CD2-CB 4.19Å; F94-H123 AromaticContact CD2-ND1 3.97Å; F94-H123 HydrophobicContact CE2-CB 4.4Å; P115-H123 CarbonylContact C-O 3.48Å; V116-H123 HydrophobicContact CB-CB 4.4Å; V116-H123 PolarHBondContact N-O 3.47Å; V116-H123 PolarHBondContact O-N 2.85Å; T118-H123 WeakPolarHBondContact CG2-CD2 3.37Å; T118-H123 PolarHBondContact OG1-CD2 3.38Å; T118-H123 PolarHBondContact OG1-NE2 3Å; H123-I125 HydrophobicContact CB-CG1 4.11Å
124	I	91.8	Very high	88.3	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.2	160.3	-59.3	165.8	0	0	0	106.2	H42 I43 I51 A54 M55 L58 F64 F111 P115	H42-I124 CarbonylContact C-O 3.6Å; H42-I124 WeakPolarHBondContact CA-O 3.19Å; H42-I124 WeakPolarHBondContact CB-O 3.4Å; I43-I124 HydrophobicContact CB-CB 4.31Å; I43-I124 HydrophobicContact CD1-CB 4.44Å; I43-I124 HydrophobicContact CD1-CD1 4.45Å; I43-I124 PolarHBondContact N-O 3.49Å; I43-I124 PolarHBondContact O-N 3.36Å; I51-I124 HydrophobicContact CD1-CD1 3.76Å; I51-I124 HydrophobicContact CD1-CG1 3.76Å; I51-I124 HydrophobicContact CG1-CD1 3.8Å; I51-I124 HydrophobicContact CG1-CG1 3.75Å; A54-I124 HydrophobicContact CB-CD1 4.4Å; M55-I124 HydrophobicContact CB-CD1 3.9Å; M55-I124 HydrophobicContact CG-CD1 4.36Å; L58-I124 HydrophobicContact CD1-CD1 4.01Å; L58-I124 HydrophobicContact CD1-CG2 3.94Å; F64-I124 HydrophobicContact CE2-CB 4.45Å; F64-I124 HydrophobicContact CE2-CG2 3.71Å; F64-I124 HydrophobicContact CZ-CB 4.48Å; F64-I124 HydrophobicContact CZ-CG2 4.17Å; F111-I124 HydrophobicContact CB-CG2 3.79Å; F111-I124 HydrophobicContact CD2-CG2 3.99Å; F111-I124 HydrophobicContact CG-CG2 4.15Å; P115-I124 HydrophobicContact CB-CG1 4.18Å; P115-I124 HydrophobicContact CG-CG1 4.19Å
125	I	91.1	Very high	88.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	141.1	-174.5	-47.9	172.1	0	0	0	108.7	R41 F94 A97 A98 L101 F111 T112 V116 H123	R41-I125 CarbonylContact O-C 3.55Å; R41-I125 WeakPolarHBondContact O-CA 3.13Å; F94-I125 HydrophobicContact CB-CD1 4.16Å; F94-I125 HydrophobicContact CD1-CD1 4.08Å; F94-I125 HydrophobicContact CD2-CD1 3.32Å; F94-I125 HydrophobicContact CD2-CG1 3.8Å; F94-I125 HydrophobicContact CE1-CD1 4.28Å; F94-I125 HydrophobicContact CE1-CG2 4.24Å; F94-I125 HydrophobicContact CE2-CD1 3.57Å; F94-I125 HydrophobicContact CE2-CG1 3.55Å; F94-I125 HydrophobicContact CE2-CG2 4.28Å; F94-I125 HydrophobicContact CG-CD1 3.6Å; F94-I125 HydrophobicContact CG-CG1 4.49Å; F94-I125 HydrophobicContact CZ-CD1 4.04Å; F94-I125 HydrophobicContact CZ-CG1 4.04Å; F94-I125 HydrophobicContact CZ-CG2 3.88Å; A97-I125 HydrophobicContact CB-CD1 3.78Å; A98-I125 HydrophobicContact CB-CG2 4.08Å; L101-I125 HydrophobicContact CD1-CB 4.13Å; L101-I125 HydrophobicContact CD1-CG2 4.3Å; L101-I125 WeakPolarHBondContact CD1-O 3.13Å; F111-I125 CarbonylContact C-O 3.53Å; F111-I125 WeakPolarHBondContact CA-O 3.45Å; F111-I125 WeakPolarHBondContact CB-O 3.35Å; T112-I125 HydrophobicContact CG2-CB 4.25Å; T112-I125 PolarHBondContact N-O 3.18Å; T112-I125 PolarHBondContact OG1-N 3.44Å; V116-I125 HydrophobicContact CB-CD1 4.26Å; V116-I125 HydrophobicContact CG2-CD1 3.91Å; V116-I125 HydrophobicContact CG2-CG1 4.47Å; H123-I125 HydrophobicContact CB-CG1 4.11Å
126	M	88.9	Confident	88.5	Confident	3 Å²	3	57 Å²	57	2%	0.015	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.9	173.2	170.1	-175.7	-67.4	0	0	109	V40 R41 F64 P109	V40-M126 CarbonylContact C-O 3.54Å; V40-M126 WeakPolarHBondContact CA-O 3.4Å; R41-M126 HydrophobicContact CB-CB 4.38Å; R41-M126 PolarHBondContact N-O 3.01Å; R41-M126 PolarHBondContact O-N 3.11Å; F64-M126 HydrophobicContact CB-CE 3.75Å; F64-M126 HydrophobicContact CB-SD 4.28Å; F64-M126 HydrophobicContact CD2-CB 4.32Å; F64-M126 HydrophobicContact CD2-CE 3.39Å; F64-M126 HydrophobicContact CD2-SD 4.34Å; F64-M126 HydrophobicContact CE2-CB 3.97Å; F64-M126 HydrophobicContact CE2-CE 4.09Å; F64-M126 HydrophobicContact CG-CE 3.75Å; F64-M126 HydrophobicContact CG-SD 4.26Å; F64-M126 HydrophobicContact CZ-CB 4.15Å; P109-M126 HydrophobicContact CB-CE 3.18Å
127	V	89.8	Confident	88.3	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.006	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.8	178.1	-177	0	0	0	0	109.2	V38 K39 V40 A98 L101 I103 S104 G129	V38-V127 HydrophobicContact CB-CG1 4.47Å; K39-V127 WeakPolarHBondContact O-CA 2.87Å; V40-V127 HydrophobicContact CG1-CG2 4.12Å; A98-V127 WeakPolarHBondContact O-CG2 3.3Å; L101-V127 HydrophobicContact CB-CG2 3.67Å; L101-V127 HydrophobicContact CD1-CG2 4.32Å; I103-V127 HydrophobicContact CG1-CG1 4.21Å; S104-V127 PolarHBondContact N-O 3.33Å; S104-V127 PolarHBondContact OG-O 3.31Å; V127-G129 WeakPolarHBondContact CG1-O 3.49Å
128	E	87.8	Confident	88.3	Confident	50 Å²	50	53.6 Å²	53.6	23%	0.234	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-18	176.9	-66	-176.1	165.2	0	0	112.3	K39 R41 I103	K39-E128 HydrophobicContact CB-CB 4.48Å; K39-E128 HydrophobicContact CD-CB 4.26Å; K39-E128 IonicContact NZ-OE2 2.87Å; K39-E128 PolarHBondContact NZ-OE2 3.16Å; K39-E128 PolarHBondContact O-N 3.1Å; R41-E128 IonicContact CZ-OE1 2.67Å; R41-E128 VanDerWaalsContact CZ-OE1 3.26Å; R41-E128 IonicContact NE-OE1 3.19Å; R41-E128 PolarHBondContact NE-OE1 2.89Å; R41-E128 IonicContact NH2-OE1 3.93Å; R41-E128 PolarHBondContact NH2-OE1 3.44Å; I103-E128 VanDerWaalsContact CG2-O 3.32Å; I103-E128 WeakPolarHBondContact CG2-O 3.45Å
129	G	84.8	Confident	88.2	Confident	11 Å²	11	56.3 Å²	56.3	11%	0.113	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	157.1	-179.3	0	0	0	0	0	112.9	V38 K39 V127	V38-G129 CarbonylContact C-O 3.45Å; V38-G129 WeakPolarHBondContact CA-O 3.22Å; K39-G129 PolarHBondContact N-O 2.93Å; K39-G129 PolarHBondContact O-N 3.2Å; V127-G129 WeakPolarHBondContact CG1-O 3.49Å
130	R	83.6	Confident	88.2	Confident	86 Å²	86	43.4 Å²	43.4	33%	0.325	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	137.1	175.4	-177.4	173.8	176.8	171.1	1.2	109.2	G33 A37 V38 F99 I103	G33-R130 PolarHBondContact O-NH2 3.17Å; A37-R130 WeakPolarHBondContact O-CA 3.14Å; V38-R130 HydrophobicContact CG1-CB 3.98Å; V38-R130 HydrophobicContact CG1-CG 3.69Å; F99-R130 PolarHBondContact O-NH1 3.22Å; I103-R130 HydrophobicContact CD1-CB 3.76Å; I103-R130 HydrophobicContact CG1-CB 3.84Å
131	K	78.9	Confident	88.3	Confident	183 Å²	183	36.1 Å²	36.1	80%	0.796	16%	0.164	S	C	*	.			trans	-145.1	0	-177.6	-177.2	-179.9	177.1	-177.6	0	111.8	G35 N36 A37 W84	G35-K131 CarbonylContact C-O 3.5Å; G35-K131 WeakPolarHBondContact CA-O 3.41Å; G35-K131 WeakPolarHBondContact CA-OXT 3.41Å; N36-K131 PolarHBondContact N-O 2.91Å; A37-K131 PolarHBondContact N-O 3.26Å; A37-K131 PolarHBondContact O-N 3.45Å; A37-K131 VanDerWaalsContact O-O 3.08Å; W84-K131 HydrophobicContact CH2-CB 4.02Å; W84-K131 HydrophobicContact CZ3-CB 3.6Å

Retrieved 131 of 131 residues in 24.9 ms (Link to these results)

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