A0A077Z8A3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8A3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 aa.

						>A0A077Z8A3_TRITR|A0A077Z8A3
MSDYSSHKFGLRRCLSDSQLPREGVFEPHREFGSTTSLVCYLDNYGSSTEQTANASRADEQWISKNVEQLFDDWSFDSTSDTSSQTVKSDLKCIVKGAASAPVLLFHATNEEREKLSEKVRLQKLPRSKSC
					

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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	31.8	Very low	30.4	Very low	234 Å²	234	135.8 Å²	135.8	100%	1.153	69%	0.691	S	S	*	*				0	114.4	0	-74.2	164.8	127.3	0	0	105.9	D3	M1-D3 PolarHBondContact O-N 2.81Å
2	S	27.6	Very low	31.3	Very low	115 Å²	115	135.8 Å²	135.8	80%	0.804	68%	0.676	S	S	*	*			trans	-81.5	106	-177.3	-62.8	0	0	0	0	108.6	Y4	S2-Y4 PolarHBondContact O-N 3.12Å; S2-Y4 VanDerWaalsContact O-N 3.17Å
3	D	26.4	Very low	32.3	Very low	156 Å²	156	134.2 Å²	134.2	83%	0.834	66%	0.657	S	S	*	*			trans	-61	114.5	172.5	-79.6	-40.3	0	0	0	109.1	M1 S5	M1-D3 PolarHBondContact O-N 2.81Å; D3-S5 VanDerWaalsContact C-N 3.34Å; D3-S5 PolarHBondContact O-N 3Å
4	Y	24.3	Very low	33.5	Very low	228 Å²	228	127.3 Å²	127.3	89%	0.894	63%	0.628	S	S	*	*			trans	-63.5	96.4	171.4	-85	-96.2	0	0	0	108.5	S2 S6	S2-Y4 PolarHBondContact O-N 3.12Å; S2-Y4 VanDerWaalsContact O-N 3.17Å; Y4-S6 PolarHBondContact O-N 3.37Å
5	S	26	Very low	34.5	Very low	91 Å²	91	119.7 Å²	119.7	64%	0.636	59%	0.591	S	S	*	*			trans	-66.7	84.3	164.3	59.8	0	0	0	0	108.6	D3 H7	D3-S5 VanDerWaalsContact C-N 3.34Å; D3-S5 PolarHBondContact O-N 3Å; S5-H7 PolarHBondContact O-N 3.19Å
6	S	29.6	Very low	35.2	Very low	75 Å²	75	114.4 Å²	114.4	52%	0.524	57%	0.569	S	S	.	*			trans	-70.3	96.7	170.6	74.7	0	0	0	0	108.2	Y4 K8	Y4-S6 PolarHBondContact O-N 3.37Å; S6-K8 PolarHBondContact O-N 2.9Å
7	H	32.3	Very low	35.6	Very low	161 Å²	161	109.6 Å²	109.6	75%	0.745	55%	0.546	S	S	*	.			trans	-66.3	78.3	165.4	-66.5	-73.2	0	0	0	108.8	S5	S5-H7 PolarHBondContact O-N 3.19Å
8	K	31	Very low	36.1	Very low	156 Å²	156	109.4 Å²	109.4	68%	0.678	56%	0.557	S	S	*	*			trans	-97.7	106.2	170.8	-72.3	-176.1	-179.8	178.4	0	106.9	S6 G10	S6-K8 PolarHBondContact O-N 2.9Å; K8-G10 PolarHBondContact O-N 3.18Å; K8-G10 VanDerWaalsContact O-N 3.1Å
9	F	31.1	Very low	36.4	Very low	193 Å²	193	108.6 Å²	108.6	85%	0.846	55%	0.551	S	S	*	*			trans	-68.2	103.6	172.6	-74.6	-88.7	0	0	0	108.6	L11	F9-L11 PolarHBondContact O-N 2.78Å
10	G	33.9	Very low	36.9	Very low	7 Å²	7	104.3 Å²	104.3	7%	0.072	53%	0.529	C	S	.	.			trans	-84.9	85.1	179.7	0	0	0	0	0	112.2	K8 L42 D43	K8-G10 PolarHBondContact O-N 3.18Å; K8-G10 VanDerWaalsContact O-N 3.1Å; G10-L42 VanDerWaalsContact O-CD2 3.23Å; G10-L42 WeakPolarHBondContact O-CD2 3.49Å; G10-D43 WeakPolarHBondContact CA-OD1 3.29Å; G10-D43 WeakPolarHBondContact CA-OD2 3.37Å
11	L	40	Very low	36.9	Very low	78 Å²	78	101.8 Å²	101.8	41%	0.408	52%	0.52	S	S	.	.			trans	-123.3	106.7	165.7	-90.7	160.4	0	0	0	107.2	F9 C40 L42 L105	F9-L11 PolarHBondContact O-N 2.78Å; L11-C40 HydrophobicContact CD2-CB 4.18Å; L11-L42 HydrophobicContact CD2-CD2 3.54Å; L11-L42 HydrophobicContact CD2-CG 4.43Å; L11-L42 HydrophobicContact CG-CD2 3.79Å; L11-L105 HydrophobicContact CD2-CD2 4.47Å
12	R	41.9	Very low	37.2	Very low	135 Å²	135	102 Å²	102	51%	0.509	51%	0.508	S	S	.	.			trans	-78.6	-37.7	-174.5	-106.3	-177.4	170.4	-161.4	-6.4	112.6	Y41	R12-Y41 PolarHBondContact N-O 2.86Å
13	R	44.5	Very low	37.7	Very low	116 Å²	116	105.8 Å²	105.8	44%	0.438	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.5	152.2	173.2	-114.3	165.2	179	177.2	-3.4	110.8	C40 Y41	R13-C40 WeakPolarHBondContact O-CA 3.17Å; R13-Y41 PolarHBondContact O-N 3.26Å
14	C	48.6	Very low	38	Very low	37 Å²	37	99.2 Å²	99.2	25%	0.25	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	133.7	167.3	-60.5	0	0	0	0	109.8	L38 V39 C40 L105	C14-L38 HydrophobicContact CB-CD2 3.42Å; C14-L38 VanDerWaalsContact CB-CD2 3.42Å; C14-V39 CarbonylContact C-O 3.57Å; C14-V39 VanDerWaalsContact CA-O 3.29Å; C14-V39 WeakPolarHBondContact CA-O 3.44Å; C14-C40 HydrophobicContact CB-CB 4.18Å; C14-C40 WeakPolarHBondContact CB-SG 3.43Å; C14-C40 WeakPolarHBondContact SG-CB 3.4Å; C14-C40 CovalentContact SG-SG 2.05Å; C14-C40 PolarHBondContact SG-SG 3.32Å; C14-L105 HydrophobicContact CB-CD2 4.44Å; C14-L105 WeakPolarHBondContact SG-CD2 3.47Å
15	L	48.4	Very low	38.6	Very low	13 Å²	13	90.9 Å²	90.9	7%	0.068	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	128.8	-178.5	-62.2	170.6	0	0	0	109.4	Q19 L20 L38 V39 Y41 L70	L15-Q19 HydrophobicContact CB-CB 4.36Å; L15-Q19 HydrophobicContact CD2-CB 4.17Å; L15-L20 HydrophobicContact CB-CD2 4.1Å; L15-L20 HydrophobicContact CD1-CD2 4.18Å; L15-L38 VanDerWaalsContact O-CA 3.3Å; L15-L38 WeakPolarHBondContact O-CA 3.47Å; L15-V39 PolarHBondContact N-O 3.11Å; L15-V39 PolarHBondContact O-N 2.96Å; L15-Y41 HydrophobicContact CD1-CE2 4.22Å; L15-L70 HydrophobicContact CD1-CD1 4.06Å
16	S	45.7	Very low	39.1	Very low	35 Å²	35	91.8 Å²	91.8	25%	0.245	45%	0.448	C	S	.	.			trans	-80.1	162.2	171.5	55.9	0	0	0	0	111.6	S18 Q19 L20	S16-S18 PolarHBondContact O-N 2.86Å; S16-S18 PolarHBondContact OG-OG 3.39Å; S16-Q19 VanDerWaalsContact N-OE1 3.17Å; S16-Q19 WeakPolarHBondContact O-CA 3.48Å; S16-Q19 WeakPolarHBondContact O-CB 3.4Å; S16-Q19 PolarHBondContact O-N 3.48Å; S16-Q19 PolarHBondContact OG-OE1 2.85Å; S16-L20 PolarHBondContact O-N 3.2Å
17	D	42.2	Very low	39.3	Very low	33 Å²	33	96.9 Å²	96.9	18%	0.176	46%	0.463	C	S	.	.	G	3₁₀ helix	trans	-46.7	-34.4	176.6	-76.2	-16	0	0	0	114.3	Q19 L20 T36 S37	D17-Q19 VanDerWaalsContact C-N 3.27Å; D17-Q19 PolarHBondContact O-N 3.07Å; D17-L20 PolarHBondContact O-N 3.03Å; D17-T36 VanDerWaalsContact OD2-CA 3.29Å; D17-T36 WeakPolarHBondContact OD2-CA 3.35Å; D17-S37 PolarHBondContact N-O 3.43Å; D17-S37 WeakPolarHBondContact OD1-CA 3.35Å; D17-S37 WeakPolarHBondContact OD1-CB 3.16Å; D17-S37 PolarHBondContact OD1-N 3.38Å; D17-S37 PolarHBondContact OD1-OG 2.95Å; D17-S37 PolarHBondContact OD2-N 3.49Å
18	S	43.9	Very low	39.5	Very low	107 Å²	107	90.3 Å²	90.3	75%	0.748	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-69.7	-19.9	177.5	54.1	0	0	0	0	114.9	S16	S16-S18 PolarHBondContact O-N 2.86Å; S16-S18 PolarHBondContact OG-OG 3.39Å
19	Q	43.4	Very low	39.5	Very low	93 Å²	93	89 Å²	89	44%	0.435	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-100.9	-8.9	-179.7	-58.3	179.4	-58.6	0	0	111.7	L15 S16 D17	L15-Q19 HydrophobicContact CB-CB 4.36Å; L15-Q19 HydrophobicContact CD2-CB 4.17Å; S16-Q19 VanDerWaalsContact N-OE1 3.17Å; S16-Q19 WeakPolarHBondContact O-CA 3.48Å; S16-Q19 WeakPolarHBondContact O-CB 3.4Å; S16-Q19 PolarHBondContact O-N 3.48Å; S16-Q19 PolarHBondContact OG-OE1 2.85Å; D17-Q19 VanDerWaalsContact C-N 3.27Å; D17-Q19 PolarHBondContact O-N 3.07Å
20	L	45.2	Very low	39.6	Very low	23 Å²	23	91.7 Å²	91.7	12%	0.12	44%	0.436	C	S	.	.	S	Bend	trans	-84.5	133.7	173.2	-64.5	173.8	0	0	0	109.2	L15 S16 D17 R22 V25 V39	L15-L20 HydrophobicContact CB-CD2 4.1Å; L15-L20 HydrophobicContact CD1-CD2 4.18Å; S16-L20 PolarHBondContact O-N 3.2Å; D17-L20 PolarHBondContact O-N 3.03Å; L20-R22 PolarHBondContact O-N 2.76Å; L20-V25 HydrophobicContact CB-CG2 4.3Å; L20-V39 HydrophobicContact CD1-CG2 3.98Å; L20-V39 HydrophobicContact CD2-CB 4.36Å; L20-V39 HydrophobicContact CD2-CG2 3.89Å
21	P	38.2	Very low	39.6	Very low	52 Å²	52	98.8 Å²	98.8	34%	0.338	47%	0.467	S	S	.	.			trans	-59.1	127.1	174.7	21.4	-29.8	0	0	0	110	E23 G24 N66	P21-E23 PolarHBondContact O-N 2.95Å; P21-G24 PolarHBondContact O-N 2.87Å; P21-G24 VanDerWaalsContact O-N 3.16Å; P21-N66 HydrophobicContact CG-CB 4.39Å
22	R	37.1	Very low	39.2	Very low	237 Å²	237	98.9 Å²	98.9	89%	0.894	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-59.1	-17.6	-170.8	-74.7	-173	176.4	-177.6	-0.7	114.8	L20 G24	L20-R22 PolarHBondContact O-N 2.76Å; R22-G24 PolarHBondContact O-N 3.36Å
23	E	37.1	Very low	38.6	Very low	195 Å²	195	94.6 Å²	94.6	91%	0.911	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-75.5	-1.7	178.5	-68.1	-167.8	160.8	0	0	114.4	P21	P21-E23 PolarHBondContact O-N 2.95Å
24	G	33.4	Very low	37.9	Very low	19 Å²	19	95.4 Å²	95.4	20%	0.196	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-154.5	39.2	169.8	0	0	0	0	0	114.4	P21 R22 F26 W62	P21-G24 PolarHBondContact O-N 2.87Å; P21-G24 VanDerWaalsContact O-N 3.16Å; R22-G24 PolarHBondContact O-N 3.36Å; G24-F26 PolarHBondContact O-N 2.81Å; G24-W62 VanDerWaalsContact CA-CZ2 3.41Å; G24-W62 VanDerWaalsContact O-CH2 3.23Å; G24-W62 WeakPolarHBondContact O-CH2 3.28Å; G24-W62 WeakPolarHBondContact O-CZ3 3.3Å
25	V	36.8	Very low	37.5	Very low	53 Å²	53	96.4 Å²	96.4	32%	0.321	49%	0.491	S	S	.	.			trans	-63.9	105.1	162.7	177.5	0	0	0	0	106.9	L20 E27	L20-V25 HydrophobicContact CB-CG2 4.3Å; V25-E27 PolarHBondContact O-N 3.45Å
26	F	37.1	Very low	37	Very low	110 Å²	110	99.4 Å²	99.4	48%	0.482	51%	0.509	S	S	.	.			trans	-59.5	118.7	171.3	-103.9	-97.3	0	0	0	108.2	G24 P28 D59	G24-F26 PolarHBondContact O-N 2.81Å; F26-P28 WeakPolarHBondContact O-CD 3.24Å; F26-D59 HydrophobicContact CE2-CB 4.29Å; F26-D59 HydrophobicContact CZ-CB 4.02Å; F26-D59 VanDerWaalsContact CZ-CG 3.44Å; F26-D59 WeakPolarHBondContact CZ-OD1 3.09Å
27	E	33.8	Very low	36.7	Very low	181 Å²	181	98.3 Å²	98.3	85%	0.846	50%	0.502	S	S	*	.			trans	-72.2	108.2	162.2	-75.2	-169	159.2	0	0	107.1	V25	V25-E27 PolarHBondContact O-N 3.45Å
28	P	35.3	Very low	36.6	Very low	24 Å²	24	97.7 Å²	97.7	16%	0.156	50%	0.499	C	S	.	.			trans	-60.3	148.3	171.6	28	-37.1	0	0	0	109.7	F26 R30 F32 T35 V95	F26-P28 WeakPolarHBondContact O-CD 3.24Å; P28-R30 PolarHBondContact O-N 2.91Å; P28-F32 HydrophobicContact CB-CB 4.23Å; P28-F32 HydrophobicContact CB-CD2 4.35Å; P28-T35 HydrophobicContact CG-CG2 3.26Å; P28-V95 HydrophobicContact CB-CG1 3.86Å
29	H	32.4	Very low	36.7	Very low	129 Å²	129	93.1 Å²	93.1	60%	0.597	47%	0.466	S	S	*	.			trans	-46.7	137.8	176.4	-126.5	-109.6	0	0	0	110.6	E31 F32	H29-E31 IonicContact CE1-OE1 3.61Å; H29-E31 IonicContact CG-OE1 3.99Å; H29-E31 IonicContact ND1-OE1 2.89Å; H29-E31 PolarHBondContact ND1-OE1 3.39Å; H29-E31 PolarHBondContact O-N 3.07Å; H29-F32 HydrophobicContact CB-CD2 3.78Å; H29-F32 HydrophobicContact CB-CE2 3.91Å; H29-F32 WeakPolarHBondContact O-CB 3.45Å; H29-F32 WeakPolarHBondContact O-CD2 3.49Å; H29-F32 PolarHBondContact O-N 3.23Å
30	R	32.9	Very low	36.8	Very low	249 Å²	249	88.7 Å²	88.7	94%	0.94	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-48.9	-22.9	-175.5	-93.3	-176.3	172.8	179.6	-1.6	115.1	P28 F32	P28-R30 PolarHBondContact O-N 2.91Å; R30-F32 PolarHBondContact O-N 2.89Å
31	E	34	Very low	36.8	Very low	156 Å²	156	88.4 Å²	88.4	73%	0.729	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-65.1	-21	177.3	-60.5	166.7	-123.9	0	0	113.5	H29	H29-E31 IonicContact CE1-OE1 3.61Å; H29-E31 IonicContact CG-OE1 3.99Å; H29-E31 IonicContact ND1-OE1 2.89Å; H29-E31 PolarHBondContact ND1-OE1 3.39Å; H29-E31 PolarHBondContact O-N 3.07Å
32	F	32.2	Very low	36.9	Very low	79 Å²	79	86.5 Å²	86.5	35%	0.346	43%	0.43	S	S	.	.	G	3₁₀ helix	trans	-92.8	7	-175.9	-66	-63.8	0	0	0	114.4	P28 H29 R30 G97 A98	P28-F32 HydrophobicContact CB-CB 4.23Å; P28-F32 HydrophobicContact CB-CD2 4.35Å; H29-F32 HydrophobicContact CB-CD2 3.78Å; H29-F32 HydrophobicContact CB-CE2 3.91Å; H29-F32 WeakPolarHBondContact O-CB 3.45Å; H29-F32 WeakPolarHBondContact O-CD2 3.49Å; H29-F32 PolarHBondContact O-N 3.23Å; R30-F32 PolarHBondContact O-N 2.89Å; F32-G97 CarbonylContact C-O 3.26Å; F32-G97 VanDerWaalsContact C-O 3.26Å; F32-G97 VanDerWaalsContact CA-O 3.28Å; F32-G97 WeakPolarHBondContact CA-O 3.33Å; F32-G97 CarbonylContact O-C 3.28Å; F32-G97 VanDerWaalsContact O-C 3.28Å; F32-G97 WeakPolarHBondContact O-CA 3.44Å; F32-A98 HydrophobicContact CD1-CB 3.93Å; F32-A98 HydrophobicContact CE1-CB 3.86Å
33	G	27.5	Very low	36.7	Very low	45 Å²	45	77.5 Å²	77.5	46%	0.464	40%	0.399	S	S	.	.			trans	65.5	168	179.9	0	0	0	0	0	113.8
34	S	31.7	Very low	36.6	Very low	133 Å²	133	73.7 Å²	73.7	93%	0.93	39%	0.385	S	S	*	.	S	Bend	trans	-57.1	143.5	178.7	176.4	0	0	0	0	111.8
35	T	40.2	Very low	36.6	Very low	59 Å²	59	81.4 Å²	81.4	36%	0.362	41%	0.41	S	S	.	.			trans	-106.5	136.8	-134.8	55	0	0	0	0	112.7	P28	P28-T35 HydrophobicContact CG-CG2 3.26Å
36	T	36.4	Very low	36.5	Very low	75 Å²	75	79.5 Å²	79.5	46%	0.46	40%	0.401	S	S	.	.			trans	-138.7	88.9	155.4	-39.3	0	0	0	0	106.6	D17 L38 K96	D17-T36 VanDerWaalsContact OD2-CA 3.29Å; D17-T36 WeakPolarHBondContact OD2-CA 3.35Å; T36-L38 PolarHBondContact O-N 3.14Å; T36-K96 WeakPolarHBondContact O-CB 3.41Å
37	S	39.7	Very low	36.4	Very low	13 Å²	13	79 Å²	79	9%	0.091	41%	0.411	C	S	.	.			trans	-66.1	121.2	177	-37.4	0	0	0	0	107.2	D17	D17-S37 PolarHBondContact N-O 3.43Å; D17-S37 WeakPolarHBondContact OD1-CA 3.35Å; D17-S37 WeakPolarHBondContact OD1-CB 3.16Å; D17-S37 PolarHBondContact OD1-N 3.38Å; D17-S37 PolarHBondContact OD1-OG 2.95Å; D17-S37 PolarHBondContact OD2-N 3.49Å
38	L	40.5	Very low	36.4	Very low	20 Å²	20	71.4 Å²	71.4	11%	0.105	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	93.5	-179.5	-96.5	152.1	0	0	0	108.3	C14 L15 T36 C40 I94 K96 L105	C14-L38 HydrophobicContact CB-CD2 3.42Å; C14-L38 VanDerWaalsContact CB-CD2 3.42Å; L15-L38 VanDerWaalsContact O-CA 3.3Å; L15-L38 WeakPolarHBondContact O-CA 3.47Å; T36-L38 PolarHBondContact O-N 3.14Å; L38-C40 PolarHBondContact O-N 2.79Å; L38-I94 CarbonylContact C-O 3.59Å; L38-K96 HydrophobicContact CB-CD 4.41Å; L38-K96 HydrophobicContact CD1-CD 3.42Å; L38-K96 VanDerWaalsContact CD1-CD 3.42Å; L38-L105 HydrophobicContact CB-CD1 3.97Å; L38-L105 HydrophobicContact CD1-CD1 3.87Å; L38-L105 HydrophobicContact CD2-CD1 4.36Å; L38-L105 HydrophobicContact CG-CD1 4.29Å
39	V	46.2	Very low	36.3	Very low	11 Å²	11	77.3 Å²	77.3	7%	0.067	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	113.6	174.7	-173.1	0	0	0	0	107.9	C14 L15 L20 Y41 I63	C14-V39 CarbonylContact C-O 3.57Å; C14-V39 VanDerWaalsContact CA-O 3.29Å; C14-V39 WeakPolarHBondContact CA-O 3.44Å; L15-V39 PolarHBondContact N-O 3.11Å; L15-V39 PolarHBondContact O-N 2.96Å; L20-V39 HydrophobicContact CD1-CG2 3.98Å; L20-V39 HydrophobicContact CD2-CB 4.36Å; L20-V39 HydrophobicContact CD2-CG2 3.89Å; V39-Y41 HydrophobicContact CG1-CE2 4.06Å; V39-Y41 WeakPolarHBondContact CG1-OH 3.18Å; V39-I63 HydrophobicContact CG1-CG2 3.99Å
40	C	44.3	Very low	36.2	Very low	0 Å²	0	75.3 Å²	75.3	0%	0	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	133.2	-177.4	-64.9	0	0	0	0	111.7	L11 R13 C14 L38 K92 I94 L105	L11-C40 HydrophobicContact CD2-CB 4.18Å; R13-C40 WeakPolarHBondContact O-CA 3.17Å; C14-C40 HydrophobicContact CB-CB 4.18Å; C14-C40 WeakPolarHBondContact CB-SG 3.43Å; C14-C40 WeakPolarHBondContact SG-CB 3.4Å; C14-C40 CovalentContact SG-SG 2.05Å; C14-C40 PolarHBondContact SG-SG 3.32Å; L38-C40 PolarHBondContact O-N 2.79Å; C40-K92 VanDerWaalsContact O-O 3.06Å; C40-I94 HydrophobicContact CB-CD1 3.79Å; C40-I94 HydrophobicContact CB-CG1 4.28Å; C40-L105 VanDerWaalsContact SG-CD2 3.55Å
41	Y	46.6	Very low	36	Very low	17 Å²	17	73.1 Å²	73.1	7%	0.067	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	121.4	174.2	-61.8	-85.3	0	0	0	109.8	R12 R13 L15 V39 V67 L91	R12-Y41 PolarHBondContact N-O 2.86Å; R13-Y41 PolarHBondContact O-N 3.26Å; L15-Y41 HydrophobicContact CD1-CE2 4.22Å; V39-Y41 HydrophobicContact CG1-CE2 4.06Å; V39-Y41 WeakPolarHBondContact CG1-OH 3.18Å; Y41-V67 HydrophobicContact CD1-CG1 4.23Å; Y41-V67 HydrophobicContact CE1-CB 4.17Å; Y41-V67 HydrophobicContact CE1-CG1 3.37Å; Y41-V67 HydrophobicContact CE1-CG2 4.21Å; Y41-V67 HydrophobicContact CE2-CG1 3.9Å; Y41-V67 HydrophobicContact CE2-CG2 4.3Å; Y41-V67 WeakPolarHBondContact OH-CG1 3.45Å; Y41-V67 WeakPolarHBondContact OH-CG2 2.99Å; Y41-L91 HydrophobicContact CD1-CD2 3.99Å; Y41-L91 HydrophobicContact CD1-CG 4.05Å; Y41-L91 HydrophobicContact CE1-CD1 4.15Å; Y41-L91 HydrophobicContact CE1-CD2 3.14Å; Y41-L91 HydrophobicContact CE1-CG 3.5Å; Y41-L91 VanDerWaalsContact CE1-CG 3.5Å; Y41-L91 WeakPolarHBondContact OH-CD2 3.23Å
42	L	39.9	Very low	36.1	Very low	12 Å²	12	68.4 Å²	68.4	6%	0.063	39%	0.387	C	S	.	.			trans	-98.5	131.6	171.8	-68.7	165.6	0	0	0	106.4	G10 L11 G46 D90 K92	G10-L42 VanDerWaalsContact O-CD2 3.23Å; G10-L42 WeakPolarHBondContact O-CD2 3.49Å; L11-L42 HydrophobicContact CD2-CD2 3.54Å; L11-L42 HydrophobicContact CD2-CG 4.43Å; L11-L42 HydrophobicContact CG-CD2 3.79Å; L42-G46 WeakPolarHBondContact CD1-O 3.04Å; L42-D90 WeakPolarHBondContact O-CB 3.29Å; L42-D90 VanDerWaalsContact O-O 3.13Å; L42-K92 HydrophobicContact CD1-CB 4.18Å; L42-K92 HydrophobicContact CD1-CD 3.86Å; L42-K92 HydrophobicContact CD1-CG 4.47Å
43	D	33.6	Very low	36.2	Very low	48 Å²	48	68.6 Å²	68.6	26%	0.257	40%	0.403	S	S	.	.			trans	-72.9	176.8	169.4	64.6	19.8	0	0	0	110	G10 Y45 G46	G10-D43 WeakPolarHBondContact CA-OD1 3.29Å; G10-D43 WeakPolarHBondContact CA-OD2 3.37Å; D43-Y45 PolarHBondContact O-N 2.86Å; D43-Y45 WeakPolarHBondContact OD1-CA 3.46Å; D43-Y45 VanDerWaalsContact OD1-CB 3.24Å; D43-Y45 WeakPolarHBondContact OD1-CB 3.41Å; D43-Y45 PolarHBondContact OD1-N 3.36Å; D43-G46 PolarHBondContact O-N 3.25Å; D43-G46 PolarHBondContact OD1-N 3.31Å
44	N	34.5	Very low	36.5	Very low	114 Å²	114	74.4 Å²	74.4	61%	0.61	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-12	172.1	-80.4	-59.1	0	0	0	115.7
45	Y	32.1	Very low	36.9	Very low	181 Å²	181	69.6 Å²	69.6	71%	0.71	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-6.7	177.5	-58.3	-87.9	0	0	0	113.8	D43 S47	D43-Y45 PolarHBondContact O-N 2.86Å; D43-Y45 WeakPolarHBondContact OD1-CA 3.46Å; D43-Y45 VanDerWaalsContact OD1-CB 3.24Å; D43-Y45 WeakPolarHBondContact OD1-CB 3.41Å; D43-Y45 PolarHBondContact OD1-N 3.36Å; Y45-S47 VanDerWaalsContact C-N 3.34Å; Y45-S47 PolarHBondContact O-N 3.33Å
46	G	34.9	Very low	36.8	Very low	14 Å²	14	69.5 Å²	69.5	14%	0.144	39%	0.394	C	S	.	.			trans	-91.8	27.8	-179.4	0	0	0	0	0	114.2	L42 D43 S48	L42-G46 WeakPolarHBondContact CD1-O 3.04Å; D43-G46 PolarHBondContact O-N 3.25Å; D43-G46 PolarHBondContact OD1-N 3.31Å; G46-S48 PolarHBondContact O-N 3.43Å
47	S	35.2	Very low	36.9	Very low	99 Å²	99	75.8 Å²	75.8	69%	0.692	41%	0.409	S	S	*	.			trans	-63.5	98.6	177.7	74.4	0	0	0	0	110.4	Y45 T49	Y45-S47 VanDerWaalsContact C-N 3.34Å; Y45-S47 PolarHBondContact O-N 3.33Å; S47-T49 PolarHBondContact O-N 2.89Å
48	S	34.8	Very low	36.7	Very low	21 Å²	21	78.2 Å²	78.2	15%	0.147	43%	0.43	C	S	.	.			trans	-65.1	130.7	165.2	67.1	0	0	0	0	108.3	G46 E50 K92	G46-S48 PolarHBondContact O-N 3.43Å; S48-E50 PolarHBondContact O-N 2.99Å; S48-K92 PolarHBondContact O-NZ 3.45Å; S48-K92 VanDerWaalsContact O-NZ 3.09Å; S48-K92 PolarHBondContact OG-NZ 3.08Å; S48-K92 VanDerWaalsContact OG-NZ 3.14Å
49	T	31.7	Very low	36.6	Very low	149 Å²	149	79.3 Å²	79.3	91%	0.914	44%	0.436	S	S	*	.	S	Bend	trans	-71.2	1.1	173.4	37.9	0	0	0	0	113.2	S47	S47-T49 PolarHBondContact O-N 2.89Å
50	E	31	Very low	36.4	Very low	87 Å²	87	84 Å²	84	41%	0.407	46%	0.457	S	S	.	.	S	Bend	trans	-101.4	139.9	-177.3	-69.8	-177	158.4	0	0	112.2	S48 T52 P102	S48-E50 PolarHBondContact O-N 2.99Å; E50-T52 PolarHBondContact O-N 3.01Å; E50-P102 VanDerWaalsContact CD-CG 3.46Å; E50-P102 WeakPolarHBondContact OE1-CB 3.34Å; E50-P102 VanDerWaalsContact OE1-CG 3.29Å; E50-P102 WeakPolarHBondContact OE1-CG 3.44Å; E50-P102 WeakPolarHBondContact OE2-CB 3.5Å; E50-P102 WeakPolarHBondContact OE2-CG 3.37Å
51	Q	29.9	Very low	36.1	Very low	203 Å²	203	89.2 Å²	89.2	95%	0.949	48%	0.481	S	S	*	.			trans	-60.6	106.6	176.4	-77.7	178.2	-16.9	0	0	110.1
52	T	34.2	Very low	36	Very low	56 Å²	56	92.7 Å²	92.7	34%	0.344	50%	0.495	S	S	.	.			trans	-65.4	138.6	164.4	22.8	0	0	0	0	109.8	E50 N54 K92	E50-T52 PolarHBondContact O-N 3.01Å; T52-N54 PolarHBondContact O-N 2.89Å; T52-K92 HydrophobicContact CG2-CB 4.1Å; T52-K92 HydrophobicContact CG2-CD 4.09Å; T52-K92 HydrophobicContact CG2-CG 4.25Å
53	A	35.6	Very low	36.3	Very low	83 Å²	83	92.8 Å²	92.8	69%	0.686	50%	0.495	S	S	*	.			trans	-55.9	132.6	175.5	0	0	0	0	0	110.1	A55	A53-A55 PolarHBondContact O-N 2.96Å
54	N	33	Very low	36.8	Very low	168 Å²	168	90.7 Å²	90.7	90%	0.898	48%	0.484	S	S	*	.			trans	-61.9	97.9	178.4	-77.2	-20.5	0	0	0	109.9	T52	T52-N54 PolarHBondContact O-N 2.89Å
55	A	39.9	Very low	37.4	Very low	31 Å²	31	91.9 Å²	91.9	26%	0.256	48%	0.484	S	S	.	.			trans	-66.3	144.9	161.4	0	0	0	0	0	108.1	A53 D59 E60	A53-A55 PolarHBondContact O-N 2.96Å; A55-D59 HydrophobicContact CB-CB 4.19Å; A55-E60 HydrophobicContact CB-CG 4.1Å
56	S	38.7	Very low	38	Very low	58 Å²	58	84.6 Å²	84.6	41%	0.406	46%	0.457	S	S	.	.			trans	-65.7	151.9	173.5	85.1	0	0	0	0	109	A58 D59 E60	S56-A58 PolarHBondContact O-N 3.25Å; S56-D59 WeakPolarHBondContact CB-OD2 3.2Å; S56-D59 PolarHBondContact N-OD2 2.71Å; S56-D59 WeakPolarHBondContact O-CA 3.29Å; S56-D59 WeakPolarHBondContact O-CB 3.09Å; S56-D59 PolarHBondContact O-N 3.43Å; S56-D59 PolarHBondContact OG-OD1 2.05Å; S56-D59 PolarHBondContact OG-OD2 3.26Å; S56-E60 PolarHBondContact O-N 2.93Å
57	R	39.2	Very low	38.7	Very low	207 Å²	207	84.1 Å²	84.1	78%	0.781	45%	0.451	S	S	*	.	H	α-helix	trans	-56.7	-24.3	-178.7	-148.3	-179.4	-171.1	-171.3	2.8	113.3
58	A	34.2	Very low	39.1	Very low	64 Å²	64	82 Å²	82	53%	0.529	43%	0.431	S	S	.	.	H	α-helix	trans	-73.9	-36.5	174.6	0	0	0	0	0	111.9	S56 Q61 W62	S56-A58 PolarHBondContact O-N 3.25Å; A58-Q61 PolarHBondContact O-N 3.44Å; A58-W62 PolarHBondContact O-N 2.92Å
59	D	39.6	Very low	39.6	Very low	43 Å²	43	86.5 Å²	86.5	23%	0.23	45%	0.449	C	S	.	.	H	α-helix	trans	-71.2	-39.5	-179.5	-52.8	-34.9	0	0	0	110.9	F26 A55 S56 Q61 W62 I63	F26-D59 HydrophobicContact CE2-CB 4.29Å; F26-D59 HydrophobicContact CZ-CB 4.02Å; F26-D59 VanDerWaalsContact CZ-CG 3.44Å; F26-D59 WeakPolarHBondContact CZ-OD1 3.09Å; A55-D59 HydrophobicContact CB-CB 4.19Å; S56-D59 WeakPolarHBondContact CB-OD2 3.2Å; S56-D59 PolarHBondContact N-OD2 2.71Å; S56-D59 WeakPolarHBondContact O-CA 3.29Å; S56-D59 WeakPolarHBondContact O-CB 3.09Å; S56-D59 PolarHBondContact O-N 3.43Å; S56-D59 PolarHBondContact OG-OD1 2.05Å; S56-D59 PolarHBondContact OG-OD2 3.26Å; D59-Q61 VanDerWaalsContact C-N 3.33Å; D59-Q61 PolarHBondContact O-N 3Å; D59-W62 PolarHBondContact O-N 3.5Å; D59-I63 VanDerWaalsContact O-CG1 3.23Å; D59-I63 WeakPolarHBondContact O-CG1 3.02Å; D59-I63 PolarHBondContact O-N 3.4Å
60	E	40.6	Very low	40.2	Very low	108 Å²	108	81.6 Å²	81.6	51%	0.505	42%	0.417	S	S	.	.	H	α-helix	trans	-59.2	-43.2	173.7	-67.2	179.7	165.5	0	0	111.9	A55 S56 S64	A55-E60 HydrophobicContact CB-CG 4.1Å; S56-E60 PolarHBondContact O-N 2.93Å; E60-S64 VanDerWaalsContact O-CB 3.31Å; E60-S64 WeakPolarHBondContact O-CB 3.29Å; E60-S64 PolarHBondContact O-N 2.79Å
61	Q	39.7	Very low	40.8	Very low	111 Å²	111	82 Å²	82	52%	0.519	42%	0.417	S	S	.	.	H	α-helix	trans	-68.8	-38.2	177.9	-72.8	-175.7	-0.9	0	0	112.4	A58 D59 K65	A58-Q61 PolarHBondContact O-N 3.44Å; D59-Q61 VanDerWaalsContact C-N 3.33Å; D59-Q61 PolarHBondContact O-N 3Å; Q61-K65 WeakPolarHBondContact O-CB 3.08Å; Q61-K65 PolarHBondContact O-N 2.92Å
62	W	44	Very low	41.3	Very low	90 Å²	90	78.9 Å²	78.9	34%	0.341	41%	0.408	S	S	.	.	H	α-helix	trans	-67.4	-46.1	178.2	-177.7	89.8	0	0	0	111.6	G24 A58 D59 S64 K65 N66	G24-W62 VanDerWaalsContact CA-CZ2 3.41Å; G24-W62 VanDerWaalsContact O-CH2 3.23Å; G24-W62 WeakPolarHBondContact O-CH2 3.28Å; G24-W62 WeakPolarHBondContact O-CZ3 3.3Å; A58-W62 PolarHBondContact O-N 2.92Å; D59-W62 PolarHBondContact O-N 3.5Å; W62-S64 VanDerWaalsContact C-N 3.33Å; W62-S64 PolarHBondContact O-N 2.99Å; W62-K65 PolarHBondContact O-N 3.22Å; W62-N66 VanDerWaalsContact CD2-ND2 3.28Å; W62-N66 VanDerWaalsContact CZ2-ND2 3.3Å; W62-N66 WeakPolarHBondContact CZ2-ND2 3.43Å; W62-N66 PolarHBondContact NE1-ND2 2.8Å; W62-N66 PolarHBondContact O-N 2.98Å; W62-N66 VanDerWaalsContact O-N 3.11Å; W62-N66 PolarHBondContact O-ND2 3.48Å
63	I	45.7	Very low	41.5	Very low	14 Å²	14	83.3 Å²	83.3	7%	0.072	43%	0.429	C	S	.	.	H	α-helix	trans	-60.9	-46	176.2	-62.6	168.4	0	0	0	109.2	V39 D59 K65 N66 V67 L91 C93	V39-I63 HydrophobicContact CG1-CG2 3.99Å; D59-I63 VanDerWaalsContact O-CG1 3.23Å; D59-I63 WeakPolarHBondContact O-CG1 3.02Å; D59-I63 PolarHBondContact O-N 3.4Å; I63-K65 VanDerWaalsContact C-N 3.33Å; I63-K65 PolarHBondContact O-N 3.39Å; I63-N66 PolarHBondContact O-N 3.31Å; I63-V67 HydrophobicContact CG2-CG2 4.23Å; I63-V67 VanDerWaalsContact O-CB 3.31Å; I63-V67 WeakPolarHBondContact O-CB 3.33Å; I63-V67 WeakPolarHBondContact O-CG2 3.12Å; I63-V67 PolarHBondContact O-N 3.39Å; I63-V67 VanDerWaalsContact O-N 3.16Å; I63-L91 HydrophobicContact CB-CD2 4.46Å; I63-L91 HydrophobicContact CG2-CD2 3.49Å; I63-L91 VanDerWaalsContact CG2-CD2 3.49Å; I63-C93 HydrophobicContact CD1-CB 4.22Å
64	S	44.8	Very low	41.6	Very low	3 Å²	3	85 Å²	85	2%	0.021	42%	0.418	C	S	.	.	H	α-helix	trans	-54.8	-46.7	176.9	-168.3	0	0	0	0	113	E60 W62 V67 E68 L91	E60-S64 VanDerWaalsContact O-CB 3.31Å; E60-S64 WeakPolarHBondContact O-CB 3.29Å; E60-S64 PolarHBondContact O-N 2.79Å; W62-S64 VanDerWaalsContact C-N 3.33Å; W62-S64 PolarHBondContact O-N 2.99Å; S64-V67 PolarHBondContact O-N 3.1Å; S64-E68 WeakPolarHBondContact O-CG 3.46Å; S64-E68 PolarHBondContact O-N 2.79Å; S64-L91 VanDerWaalsContact CB-CD1 3.49Å
65	K	46.1	Very low	41.5	Very low	139 Å²	139	82.9 Å²	82.9	60%	0.604	42%	0.416	S	S	*	.	H	α-helix	trans	-69.3	-41.1	-176.3	-169.8	179.5	178	-174.7	0	113.2	Q61 W62 I63 V67 Q69	Q61-K65 WeakPolarHBondContact O-CB 3.08Å; Q61-K65 PolarHBondContact O-N 2.92Å; W62-K65 PolarHBondContact O-N 3.22Å; I63-K65 VanDerWaalsContact C-N 3.33Å; I63-K65 PolarHBondContact O-N 3.39Å; K65-V67 PolarHBondContact O-N 3.28Å; K65-Q69 PolarHBondContact O-N 2.88Å; K65-Q69 VanDerWaalsContact O-N 3.16Å
66	N	46.1	Very low	41.3	Very low	28 Å²	28	88.5 Å²	88.5	15%	0.15	44%	0.435	C	S	.	.	H	α-helix	trans	-69.5	-26.5	179.5	-77.6	-83.4	0	0	0	112.4	P21 W62 I63 L70	P21-N66 HydrophobicContact CG-CB 4.39Å; W62-N66 VanDerWaalsContact CD2-ND2 3.28Å; W62-N66 VanDerWaalsContact CZ2-ND2 3.3Å; W62-N66 WeakPolarHBondContact CZ2-ND2 3.43Å; W62-N66 PolarHBondContact NE1-ND2 2.8Å; W62-N66 PolarHBondContact O-N 2.98Å; W62-N66 VanDerWaalsContact O-N 3.11Å; W62-N66 PolarHBondContact O-ND2 3.48Å; I63-N66 PolarHBondContact O-N 3.31Å; N66-L70 PolarHBondContact O-N 3.23Å; N66-L70 VanDerWaalsContact O-N 3.08Å
67	V	48.3	Very low	40.7	Very low	4 Å²	4	94.1 Å²	94.1	2%	0.024	46%	0.461	C	S	.	.	H	α-helix	trans	-83.9	-42.1	-177	167.9	0	0	0	0	110.3	Y41 I63 S64 K65 Q69 L70 F71	Y41-V67 HydrophobicContact CD1-CG1 4.23Å; Y41-V67 HydrophobicContact CE1-CB 4.17Å; Y41-V67 HydrophobicContact CE1-CG1 3.37Å; Y41-V67 HydrophobicContact CE1-CG2 4.21Å; Y41-V67 HydrophobicContact CE2-CG1 3.9Å; Y41-V67 HydrophobicContact CE2-CG2 4.3Å; Y41-V67 WeakPolarHBondContact OH-CG1 3.45Å; Y41-V67 WeakPolarHBondContact OH-CG2 2.99Å; I63-V67 HydrophobicContact CG2-CG2 4.23Å; I63-V67 VanDerWaalsContact O-CB 3.31Å; I63-V67 WeakPolarHBondContact O-CB 3.33Å; I63-V67 WeakPolarHBondContact O-CG2 3.12Å; I63-V67 PolarHBondContact O-N 3.39Å; I63-V67 VanDerWaalsContact O-N 3.16Å; S64-V67 PolarHBondContact O-N 3.1Å; K65-V67 PolarHBondContact O-N 3.28Å; V67-Q69 PolarHBondContact O-N 3.42Å; V67-L70 WeakPolarHBondContact O-CB 3.33Å; V67-L70 PolarHBondContact O-N 3.14Å; V67-L70 VanDerWaalsContact O-N 3.08Å; V67-F71 HydrophobicContact CG1-CD2 3.74Å; V67-F71 HydrophobicContact CG1-CE2 3.51Å; V67-F71 WeakPolarHBondContact O-CD2 3.06Å; V67-F71 PolarHBondContact O-N 3Å
68	E	45.3	Very low	40.3	Very low	56 Å²	56	87.3 Å²	87.3	26%	0.262	45%	0.445	S	S	.	.	H	α-helix	trans	-52.2	-44.3	167	-75.1	175.5	167.6	0	0	110.5	S64 L70 F71 D72 V87	S64-E68 WeakPolarHBondContact O-CG 3.46Å; S64-E68 PolarHBondContact O-N 2.79Å; E68-L70 PolarHBondContact O-N 3.09Å; E68-F71 PolarHBondContact O-N 3.25Å; E68-F71 VanDerWaalsContact O-N 3.12Å; E68-D72 PolarHBondContact O-N 3.27Å; E68-V87 HydrophobicContact CG-CB 4.45Å; E68-V87 HydrophobicContact CG-CG1 4.1Å; E68-V87 HydrophobicContact CG-CG2 4.29Å
69	Q	44.4	Very low	39.9	Very low	114 Å²	114	91.8 Å²	91.8	53%	0.533	47%	0.466	S	S	.	.	H	α-helix	trans	-62.9	-39	174.5	-79	-177.2	-40.2	0	0	114.2	K65 V67 F71 D72 D73	K65-Q69 PolarHBondContact O-N 2.88Å; K65-Q69 VanDerWaalsContact O-N 3.16Å; V67-Q69 PolarHBondContact O-N 3.42Å; Q69-F71 VanDerWaalsContact C-N 3.25Å; Q69-F71 PolarHBondContact O-N 3.06Å; Q69-D72 PolarHBondContact O-N 3.25Å; Q69-D73 PolarHBondContact O-N 3.39Å; Q69-D73 VanDerWaalsContact O-N 3.12Å
70	L	45	Very low	39.5	Very low	46 Å²	46	92.1 Å²	92.1	24%	0.241	47%	0.471	C	S	.	.	H	α-helix	trans	-65.9	-27.3	174	-85.7	159.5	0	0	0	112.9	L15 N66 V67 E68	L15-L70 HydrophobicContact CD1-CD1 4.06Å; N66-L70 PolarHBondContact O-N 3.23Å; N66-L70 VanDerWaalsContact O-N 3.08Å; V67-L70 WeakPolarHBondContact O-CB 3.33Å; V67-L70 PolarHBondContact O-N 3.14Å; V67-L70 VanDerWaalsContact O-N 3.08Å; E68-L70 PolarHBondContact O-N 3.09Å
71	F	42.9	Very low	38.9	Very low	95 Å²	95	95.3 Å²	95.3	42%	0.417	49%	0.492	S	S	.	.	H	α-helix	trans	-80	-38.3	173.7	-80.1	-72.3	0	0	0	112.2	V67 E68 Q69 W74	V67-F71 HydrophobicContact CG1-CD2 3.74Å; V67-F71 HydrophobicContact CG1-CE2 3.51Å; V67-F71 WeakPolarHBondContact O-CD2 3.06Å; V67-F71 PolarHBondContact O-N 3Å; E68-F71 PolarHBondContact O-N 3.25Å; E68-F71 VanDerWaalsContact O-N 3.12Å; Q69-F71 VanDerWaalsContact C-N 3.25Å; Q69-F71 PolarHBondContact O-N 3.06Å; F71-W74 PolarHBondContact O-N 2.89Å; F71-W74 VanDerWaalsContact O-O 3.1Å
72	D	40.5	Very low	38.6	Very low	139 Å²	139	93.3 Å²	93.3	74%	0.743	49%	0.488	S	S	*	.	H	α-helix	trans	-70	-32	179.9	-77.3	-19	0	0	0	112.9	E68 Q69 W74	E68-D72 PolarHBondContact O-N 3.27Å; Q69-D72 PolarHBondContact O-N 3.25Å; D72-W74 VanDerWaalsContact C-N 3.3Å; D72-W74 PolarHBondContact O-N 2.98Å
73	D	38.5	Very low	37.9	Very low	149 Å²	149	92 Å²	92	80%	0.797	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-14.4	176.4	-105.1	-5.3	0	0	0	113.4	Q69	Q69-D73 PolarHBondContact O-N 3.39Å; Q69-D73 VanDerWaalsContact O-N 3.12Å
74	W	38.1	Very low	37.1	Very low	117 Å²	117	95.1 Å²	95.1	44%	0.443	52%	0.515	S	S	.	.	S	Bend	trans	-102.2	101.7	176.3	-78.2	-8.3	0	0	0	109.4	F71 D72 F76	F71-W74 PolarHBondContact O-N 2.89Å; F71-W74 VanDerWaalsContact O-O 3.1Å; D72-W74 VanDerWaalsContact C-N 3.3Å; D72-W74 PolarHBondContact O-N 2.98Å; W74-F76 PolarHBondContact O-N 3.16Å
75	S	30.5	Very low	36.4	Very low	124 Å²	124	102.7 Å²	102.7	87%	0.867	55%	0.55	S	S	*	*			trans	-61.1	73.2	168.3	67.7	0	0	0	0	110.6
76	F	34.6	Very low	35.8	Very low	150 Å²	150	98 Å²	98	66%	0.658	53%	0.533	S	S	*	.			trans	-86.4	113.2	169.4	-131.2	-93.4	0	0	0	106.6	W74 S78	W74-F76 PolarHBondContact O-N 3.16Å; F76-S78 PolarHBondContact O-N 2.99Å
77	D	27.2	Very low	35.2	Very low	176 Å²	176	97.6 Å²	97.6	94%	0.941	53%	0.531	S	S	*	.			trans	-63.7	39.1	173.3	-118.3	-12.3	0	0	0	112.4
78	S	30.4	Very low	34.4	Very low	63 Å²	63	103.9 Å²	103.9	44%	0.441	56%	0.559	S	S	.	*			trans	-111.7	109	175.7	71.1	0	0	0	0	110.4	F76 S80	F76-S78 PolarHBondContact O-N 2.99Å; S78-S80 PolarHBondContact O-N 3.32Å
79	T	26.5	Very low	33.8	Very low	158 Å²	158	105 Å²	105	97%	0.969	57%	0.573	S	S	*	*			trans	-45.5	55.2	163.7	39.6	0	0	0	0	115.5
80	S	31.3	Very low	33.3	Very low	50 Å²	50	101 Å²	101	35%	0.35	56%	0.555	S	S	.	*			trans	-123.8	97.5	169.1	54.7	0	0	0	0	109.5	S78 T82	S78-S80 PolarHBondContact O-N 3.32Å; S80-T82 PolarHBondContact O-N 3.17Å; S80-T82 PolarHBondContact O-OG1 2.91Å
81	D	28	Very low	32.8	Very low	175 Å²	175	100.4 Å²	100.4	94%	0.936	55%	0.552	S	S	*	*			trans	-53.1	89.5	162.9	-80.4	-37.5	0	0	0	108.5	S83	D81-S83 PolarHBondContact O-N 2.86Å
82	T	32.5	Very low	32.6	Very low	70 Å²	70	98.4 Å²	98.4	43%	0.429	54%	0.543	S	S	.	.			trans	-91.4	94.9	178.3	-43.1	0	0	0	0	105.6	S80 V87	S80-T82 PolarHBondContact O-N 3.17Å; S80-T82 PolarHBondContact O-OG1 2.91Å; T82-V87 HydrophobicContact CG2-CG2 4.2Å
83	S	29	Very low	32.5	Very low	63 Å²	63	93.7 Å²	93.7	44%	0.441	52%	0.52	S	S	.	.			trans	-65.1	144.7	176.9	84.7	0	0	0	0	110.1	D81 Q85 T86	D81-S83 PolarHBondContact O-N 2.86Å; S83-Q85 PolarHBondContact O-N 3.44Å; S83-T86 PolarHBondContact N-OG1 2.86Å; S83-T86 WeakPolarHBondContact O-CB 3.23Å; S83-T86 PolarHBondContact O-N 3.28Å; S83-T86 PolarHBondContact O-OG1 2.82Å; S83-T86 PolarHBondContact OG-OG1 2.78Å
84	S	30.4	Very low	32.4	Very low	79 Å²	79	87.7 Å²	87.7	55%	0.552	49%	0.488	S	S	*	.	H	α-helix	trans	-58.3	-16.7	176.9	56.7	0	0	0	0	114.2
85	Q	30.2	Very low	32.1	Very low	162 Å²	162	85.1 Å²	85.1	76%	0.757	49%	0.485	S	S	*	.	H	α-helix	trans	-71.5	-32.9	172.3	-68	-172.1	-6.7	0	0	112.5	S83	S83-Q85 PolarHBondContact O-N 3.44Å
86	T	32.9	Very low	32.2	Very low	40 Å²	40	82.2 Å²	82.2	25%	0.245	46%	0.457	C	S	.	.	H	α-helix	trans	-71.5	-36.2	179.5	-13.2	0	0	0	0	111.6	S83 K88 S89 D90	S83-T86 PolarHBondContact N-OG1 2.86Å; S83-T86 WeakPolarHBondContact O-CB 3.23Å; S83-T86 PolarHBondContact O-N 3.28Å; S83-T86 PolarHBondContact O-OG1 2.82Å; S83-T86 PolarHBondContact OG-OG1 2.78Å; T86-K88 PolarHBondContact O-N 3.49Å; T86-S89 PolarHBondContact O-N 3.34Å; T86-S89 PolarHBondContact O-OG 3.49Å; T86-S89 VanDerWaalsContact O-OG 3.09Å; T86-D90 WeakPolarHBondContact O-CB 3.4Å; T86-D90 PolarHBondContact O-N 2.96Å
87	V	33	Very low	31.7	Very low	19 Å²	19	76.3 Å²	76.3	12%	0.115	44%	0.439	C	S	.	.	H	α-helix	trans	-68.3	-38.2	-178.5	-177.5	0	0	0	0	111.2	E68 T82 S89 D90 L91	E68-V87 HydrophobicContact CG-CB 4.45Å; E68-V87 HydrophobicContact CG-CG1 4.1Å; E68-V87 HydrophobicContact CG-CG2 4.29Å; T82-V87 HydrophobicContact CG2-CG2 4.2Å; V87-S89 PolarHBondContact O-N 3.38Å; V87-D90 PolarHBondContact O-N 3.12Å; V87-L91 HydrophobicContact CG1-CD1 3.65Å; V87-L91 HydrophobicContact CG1-CG 4.48Å; V87-L91 WeakPolarHBondContact O-CB 3.33Å; V87-L91 WeakPolarHBondContact O-CD1 3.09Å; V87-L91 PolarHBondContact O-N 3.08Å
88	K	32	Very low	31.6	Very low	137 Å²	137	69.5 Å²	69.5	60%	0.596	41%	0.406	S	S	*	.	H	α-helix	trans	-68.2	-27.5	177.6	-90	-178.6	175.3	172.6	0	114.8	T86	T86-K88 PolarHBondContact O-N 3.49Å
89	S	32.5	Very low	31.4	Very low	80 Å²	80	72.3 Å²	72.3	56%	0.559	43%	0.434	S	S	*	.	H	α-helix	trans	-85.6	-24.4	176.8	59.9	0	0	0	0	113.4	T86 V87	T86-S89 PolarHBondContact O-N 3.34Å; T86-S89 PolarHBondContact O-OG 3.49Å; T86-S89 VanDerWaalsContact O-OG 3.09Å; V87-S89 PolarHBondContact O-N 3.38Å
90	D	33	Very low	31.3	Very low	30 Å²	30	69.4 Å²	69.4	16%	0.16	42%	0.42	C	S	.	.	H	α-helix	trans	-105.6	4	-165.1	-70.2	9.1	0	0	0	112.6	L42 T86 V87 K92	L42-D90 WeakPolarHBondContact O-CB 3.29Å; L42-D90 VanDerWaalsContact O-O 3.13Å; T86-D90 WeakPolarHBondContact O-CB 3.4Å; T86-D90 PolarHBondContact O-N 2.96Å; V87-D90 PolarHBondContact O-N 3.12Å; D90-K92 PolarHBondContact O-N 3.41Å
91	L	34.5	Very low	31.1	Very low	33 Å²	33	69.4 Å²	69.4	17%	0.173	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	103.7	178.9	-105	160.5	0	0	0	111.5	Y41 I63 S64 V87	Y41-L91 HydrophobicContact CD1-CD2 3.99Å; Y41-L91 HydrophobicContact CD1-CG 4.05Å; Y41-L91 HydrophobicContact CE1-CD1 4.15Å; Y41-L91 HydrophobicContact CE1-CD2 3.14Å; Y41-L91 HydrophobicContact CE1-CG 3.5Å; Y41-L91 VanDerWaalsContact CE1-CG 3.5Å; Y41-L91 WeakPolarHBondContact OH-CD2 3.23Å; I63-L91 HydrophobicContact CB-CD2 4.46Å; I63-L91 HydrophobicContact CG2-CD2 3.49Å; I63-L91 VanDerWaalsContact CG2-CD2 3.49Å; S64-L91 VanDerWaalsContact CB-CD1 3.49Å; V87-L91 HydrophobicContact CG1-CD1 3.65Å; V87-L91 HydrophobicContact CG1-CG 4.48Å; V87-L91 WeakPolarHBondContact O-CB 3.33Å; V87-L91 WeakPolarHBondContact O-CD1 3.09Å; V87-L91 PolarHBondContact O-N 3.08Å
92	K	40.1	Very low	31	Very low	53 Å²	53	63.9 Å²	63.9	23%	0.23	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	112.6	169.3	-78.2	-168.8	178.3	-170.6	0	109.8	C40 L42 S48 T52 D90 I94	C40-K92 VanDerWaalsContact O-O 3.06Å; L42-K92 HydrophobicContact CD1-CB 4.18Å; L42-K92 HydrophobicContact CD1-CD 3.86Å; L42-K92 HydrophobicContact CD1-CG 4.47Å; S48-K92 PolarHBondContact O-NZ 3.45Å; S48-K92 VanDerWaalsContact O-NZ 3.09Å; S48-K92 PolarHBondContact OG-NZ 3.08Å; S48-K92 VanDerWaalsContact OG-NZ 3.14Å; T52-K92 HydrophobicContact CG2-CB 4.1Å; T52-K92 HydrophobicContact CG2-CD 4.09Å; T52-K92 HydrophobicContact CG2-CG 4.25Å; D90-K92 PolarHBondContact O-N 3.41Å; K92-I94 PolarHBondContact O-N 3.35Å
93	C	36.9	Very low	30.8	Very low	39 Å²	39	66.3 Å²	66.3	26%	0.264	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	114.6	175	-162.4	0	0	0	0	109.5	I63	I63-C93 HydrophobicContact CD1-CB 4.22Å
94	I	37.8	Very low	30.7	Very low	23 Å²	23	65.7 Å²	65.7	12%	0.118	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	95.9	176.7	-54.8	-174.1	0	0	0	108.3	L38 C40 K92 K96 L104	L38-I94 CarbonylContact C-O 3.59Å; C40-I94 HydrophobicContact CB-CD1 3.79Å; C40-I94 HydrophobicContact CB-CG1 4.28Å; K92-I94 PolarHBondContact O-N 3.35Å; I94-K96 PolarHBondContact O-N 3.46Å; I94-L104 HydrophobicContact CD1-CB 4.09Å; I94-L104 HydrophobicContact CD1-CD1 4.08Å
95	V	31.2	Very low	30.6	Very low	63 Å²	63	63.8 Å²	63.8	38%	0.382	39%	0.386	S	S	.	.			trans	-77.4	112.6	173.9	-176.9	0	0	0	0	108.5	P28	P28-V95 HydrophobicContact CB-CG1 3.86Å
96	K	31.4	Very low	30.4	Very low	63 Å²	63	64.5 Å²	64.5	27%	0.274	39%	0.387	S	S	.	.			trans	-87.5	120.2	174.4	-126.8	175.4	179.4	-179.3	0	108.8	T36 L38 I94 L105 H107	T36-K96 WeakPolarHBondContact O-CB 3.41Å; L38-K96 HydrophobicContact CB-CD 4.41Å; L38-K96 HydrophobicContact CD1-CD 3.42Å; L38-K96 VanDerWaalsContact CD1-CD 3.42Å; I94-K96 PolarHBondContact O-N 3.46Å; K96-L105 HydrophobicContact CD-CD1 4.17Å; K96-H107 PolarHBondContact NZ-CD2 3.42Å; K96-H107 VanDerWaalsContact NZ-CD2 3.32Å; K96-H107 PolarHBondContact NZ-NE2 3.19Å
97	G	25.3	Very low	30.2	Very low	27 Å²	27	69.6 Å²	69.6	28%	0.278	41%	0.407	S	S	.	.			trans	163.8	-9.3	176.7	0	0	0	0	0	115.5	F32	F32-G97 CarbonylContact C-O 3.26Å; F32-G97 VanDerWaalsContact C-O 3.26Å; F32-G97 VanDerWaalsContact CA-O 3.28Å; F32-G97 WeakPolarHBondContact CA-O 3.33Å; F32-G97 CarbonylContact O-C 3.28Å; F32-G97 VanDerWaalsContact O-C 3.28Å; F32-G97 WeakPolarHBondContact O-CA 3.44Å
98	A	25.5	Very low	30	Very low	32 Å²	32	69.7 Å²	69.7	26%	0.264	41%	0.41	S	S	.	.			trans	-77.7	130.3	165.1	0	0	0	0	0	108.1	F32 S100 A101	F32-A98 HydrophobicContact CD1-CB 3.93Å; F32-A98 HydrophobicContact CE1-CB 3.86Å; A98-S100 WeakPolarHBondContact CB-OG 3.24Å; A98-S100 PolarHBondContact O-N 3.33Å; A98-A101 HydrophobicContact CB-CB 4.41Å; A98-A101 PolarHBondContact O-N 3.02Å
99	A	24.9	Very low	30.1	Very low	123 Å²	123	66.9 Å²	66.9	100%	1.017	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	8.6	161.2	0	0	0	0	0	113.4
100	S	24.1	Very low	30.3	Very low	97 Å²	97	69.4 Å²	69.4	68%	0.678	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	19.7	178.9	60.4	0	0	0	0	113	A98 P102	A98-S100 WeakPolarHBondContact CB-OG 3.24Å; A98-S100 PolarHBondContact O-N 3.33Å; S100-P102 WeakPolarHBondContact O-CD 3.12Å
101	A	27.6	Very low	30.4	Very low	49 Å²	49	74.6 Å²	74.6	41%	0.405	44%	0.435	S	S	.	.			trans	-70.3	109	172.1	0	0	0	0	0	108.8	A98 V103	A98-A101 HydrophobicContact CB-CB 4.41Å; A98-A101 PolarHBondContact O-N 3.02Å; A101-V103 PolarHBondContact O-N 3.16Å
102	P	26.1	Very low	30.4	Very low	59 Å²	59	77.3 Å²	77.3	38%	0.383	45%	0.447	S	S	.	.			trans	-75.7	123.8	-171.4	-7.4	27.3	0	0	0	108.1	E50 S100 L104	E50-P102 VanDerWaalsContact CD-CG 3.46Å; E50-P102 WeakPolarHBondContact OE1-CB 3.34Å; E50-P102 VanDerWaalsContact OE1-CG 3.29Å; E50-P102 WeakPolarHBondContact OE1-CG 3.44Å; E50-P102 WeakPolarHBondContact OE2-CB 3.5Å; E50-P102 WeakPolarHBondContact OE2-CG 3.37Å; S100-P102 WeakPolarHBondContact O-CD 3.12Å; P102-L104 VanDerWaalsContact C-N 3.34Å; P102-L104 PolarHBondContact O-N 3.4Å
103	V	28.5	Very low	30.2	Very low	122 Å²	122	83 Å²	83	74%	0.739	47%	0.467	S	S	*	.	S	Bend	trans	37.6	55.2	139	-162.5	0	0	0	0	115.5	A101	A101-V103 PolarHBondContact O-N 3.16Å
104	L	27.1	Very low	30.3	Very low	50 Å²	50	87.7 Å²	87.7	26%	0.262	49%	0.485	S	S	.	.	S	Bend	trans	-122.9	-0.2	167.3	-78.7	173.2	0	0	0	114.4	I94 P102	I94-L104 HydrophobicContact CD1-CB 4.09Å; I94-L104 HydrophobicContact CD1-CD1 4.08Å; P102-L104 VanDerWaalsContact C-N 3.34Å; P102-L104 PolarHBondContact O-N 3.4Å
105	L	28.4	Very low	30.6	Very low	38 Å²	38	93.3 Å²	93.3	20%	0.199	51%	0.509	C	S	.	.			trans	-137.9	89.9	170.4	-63.4	172.3	0	0	0	109.8	L11 C14 L38 C40 K96 H107	L11-L105 HydrophobicContact CD2-CD2 4.47Å; C14-L105 HydrophobicContact CB-CD2 4.44Å; C14-L105 WeakPolarHBondContact SG-CD2 3.47Å; L38-L105 HydrophobicContact CB-CD1 3.97Å; L38-L105 HydrophobicContact CD1-CD1 3.87Å; L38-L105 HydrophobicContact CD2-CD1 4.36Å; L38-L105 HydrophobicContact CG-CD1 4.29Å; C40-L105 VanDerWaalsContact SG-CD2 3.55Å; K96-L105 HydrophobicContact CD-CD1 4.17Å; L105-H107 PolarHBondContact O-N 3.39Å
106	F	25.7	Very low	30.9	Very low	178 Å²	178	94.9 Å²	94.9	78%	0.781	52%	0.515	S	S	*	.			trans	-52	93.4	157.3	-101	-94.5	0	0	0	108.4	A108	F106-A108 PolarHBondContact O-N 3.42Å
107	H	29.1	Very low	31	Very low	146 Å²	146	95.2 Å²	95.2	68%	0.676	53%	0.525	S	S	*	.			trans	-75.2	74.9	153.2	-92.1	-83.7	0	0	0	106.5	K96 L105 T109	K96-H107 PolarHBondContact NZ-CD2 3.42Å; K96-H107 VanDerWaalsContact NZ-CD2 3.32Å; K96-H107 PolarHBondContact NZ-NE2 3.19Å; L105-H107 PolarHBondContact O-N 3.39Å; H107-T109 PolarHBondContact O-N 3.28Å
108	A	28.4	Very low	31.4	Very low	21 Å²	21	99.7 Å²	99.7	17%	0.174	54%	0.538	C	S	.	.			trans	-61	118.8	159.1	0	0	0	0	0	106.6	F106 E112 R113	F106-A108 PolarHBondContact O-N 3.42Å; A108-E112 WeakPolarHBondContact CA-OE2 3.23Å; A108-E112 HydrophobicContact CB-CB 3.63Å; A108-R113 HydrophobicContact CB-CG 4.08Å
109	T	34.7	Very low	32.3	Very low	78 Å²	78	105.2 Å²	105.2	48%	0.479	56%	0.556	S	S	.	*			trans	-50.4	157.2	164.4	55.4	0	0	0	0	109.4	H107 E111 E112 R113	H107-T109 PolarHBondContact O-N 3.28Å; T109-E111 PolarHBondContact O-N 2.82Å; T109-E111 VanDerWaalsContact O-N 3.07Å; T109-E112 PolarHBondContact N-OE2 2.62Å; T109-E112 WeakPolarHBondContact O-CA 2.74Å; T109-E112 PolarHBondContact O-N 3.27Å; T109-E112 VanDerWaalsContact OG1-CG 3.29Å; T109-E112 WeakPolarHBondContact OG1-CG 3.47Å; T109-E112 PolarHBondContact OG1-N 3.02Å; T109-E112 PolarHBondContact OG1-OE2 2.92Å; T109-R113 PolarHBondContact O-N 3.37Å
110	N	35.3	Very low	32.8	Very low	134 Å²	134	102.6 Å²	102.6	72%	0.717	53%	0.527	S	S	*	.	H	α-helix	trans	-52.9	-34.5	-179.8	-79.2	-21	0	0	0	112.3	R113 E114	N110-R113 WeakPolarHBondContact O-CB 3.01Å; N110-R113 PolarHBondContact O-N 2.84Å; N110-E114 PolarHBondContact O-N 3Å; N110-E114 VanDerWaalsContact O-N 3.11Å
111	E	35.9	Very low	33.4	Very low	139 Å²	139	107 Å²	107	65%	0.65	53%	0.529	S	S	*	.	H	α-helix	trans	-65	-37.6	172.8	-73.9	-175.2	144.5	0	0	113.8	T109 K115	T109-E111 PolarHBondContact O-N 2.82Å; T109-E111 VanDerWaalsContact O-N 3.07Å; E111-K115 WeakPolarHBondContact O-CG 3.3Å; E111-K115 PolarHBondContact O-N 2.66Å
112	E	34.8	Very low	34	Very low	90 Å²	90	110.5 Å²	110.5	42%	0.421	54%	0.541	S	S	.	.	H	α-helix	trans	-73.9	-31.9	176.9	-72.5	169.3	133.8	0	0	111.9	A108 T109 L116	A108-E112 WeakPolarHBondContact CA-OE2 3.23Å; A108-E112 HydrophobicContact CB-CB 3.63Å; T109-E112 PolarHBondContact N-OE2 2.62Å; T109-E112 WeakPolarHBondContact O-CA 2.74Å; T109-E112 PolarHBondContact O-N 3.27Å; T109-E112 VanDerWaalsContact OG1-CG 3.29Å; T109-E112 WeakPolarHBondContact OG1-CG 3.47Å; T109-E112 PolarHBondContact OG1-N 3.02Å; T109-E112 PolarHBondContact OG1-OE2 2.92Å; E112-L116 WeakPolarHBondContact O-CB 3.31Å; E112-L116 PolarHBondContact O-N 3.26Å
113	R	36.3	Very low	34.8	Very low	171 Å²	171	115.5 Å²	115.5	65%	0.645	56%	0.559	S	S	*	*	H	α-helix	trans	-63.1	-43.7	171.1	-95.7	-178.4	147.7	-177.4	-5.2	112	A108 T109 N110 S117	A108-R113 HydrophobicContact CB-CG 4.08Å; T109-R113 PolarHBondContact O-N 3.37Å; N110-R113 WeakPolarHBondContact O-CB 3.01Å; N110-R113 PolarHBondContact O-N 2.84Å; R113-S117 WeakPolarHBondContact O-CB 3.36Å; R113-S117 PolarHBondContact O-N 3.42Å
114	E	37.2	Very low	35.2	Very low	139 Å²	139	117.7 Å²	117.7	65%	0.65	56%	0.558	S	S	*	*	H	α-helix	trans	-62.3	-48.2	175.4	-86.8	-175.1	153.9	0	0	111.5	N110 L116 S117 E118	N110-E114 PolarHBondContact O-N 3Å; N110-E114 VanDerWaalsContact O-N 3.11Å; E114-L116 PolarHBondContact O-N 3.09Å; E114-S117 PolarHBondContact O-N 3.33Å; E114-S117 PolarHBondContact O-OG 2.75Å; E114-E118 WeakPolarHBondContact O-CB 3.47Å; E114-E118 PolarHBondContact O-N 2.72Å
115	K	45.1	Very low	35.4	Very low	140 Å²	140	120.8 Å²	120.8	61%	0.609	57%	0.574	S	S	*	*	H	α-helix	trans	-61.1	-39.3	178.5	-73.2	173.9	-177.6	168.4	0	113.7	E111 K119	E111-K115 WeakPolarHBondContact O-CG 3.3Å; E111-K115 PolarHBondContact O-N 2.66Å; K115-K119 PolarHBondContact O-N 3.43Å; K115-K119 VanDerWaalsContact O-N 3.12Å
116	L	37.1	Very low	35.9	Very low	97 Å²	97	124.2 Å²	124.2	51%	0.508	60%	0.599	S	S	.	*	H	α-helix	trans	-69.4	-41.3	175.5	-89.7	154.9	0	0	0	111.6	E112 E114 E118 K119 V120	E112-L116 WeakPolarHBondContact O-CB 3.31Å; E112-L116 PolarHBondContact O-N 3.26Å; E114-L116 PolarHBondContact O-N 3.09Å; L116-E118 VanDerWaalsContact C-N 3.28Å; L116-E118 PolarHBondContact O-N 3.46Å; L116-K119 PolarHBondContact O-N 3.37Å; L116-V120 WeakPolarHBondContact O-CG2 3.2Å; L116-V120 PolarHBondContact O-N 3.12Å; L116-V120 VanDerWaalsContact O-N 3.14Å
117	S	33	Very low	36.6	Very low	69 Å²	69	127.1 Å²	127.1	48%	0.483	61%	0.605	S	S	.	*	H	α-helix	trans	-63.6	-36	175.8	83.1	0	0	0	0	112.2	R113 E114 V120 R121	R113-S117 WeakPolarHBondContact O-CB 3.36Å; R113-S117 PolarHBondContact O-N 3.42Å; E114-S117 PolarHBondContact O-N 3.33Å; E114-S117 PolarHBondContact O-OG 2.75Å; S117-V120 PolarHBondContact O-N 3.05Å; S117-R121 PolarHBondContact O-N 3.3Å
118	E	35.5	Very low	37.1	Very low	121 Å²	121	125.4 Å²	125.4	57%	0.565	61%	0.609	S	S	*	*	H	α-helix	trans	-72.3	-42	-179.1	-164.1	167.7	-155.8	0	0	111.5	E114 L116 V120 R121 L122	E114-E118 WeakPolarHBondContact O-CB 3.47Å; E114-E118 PolarHBondContact O-N 2.72Å; L116-E118 VanDerWaalsContact C-N 3.28Å; L116-E118 PolarHBondContact O-N 3.46Å; E118-V120 VanDerWaalsContact C-N 3.31Å; E118-V120 PolarHBondContact O-N 3.5Å; E118-R121 WeakPolarHBondContact O-CB 3.2Å; E118-R121 PolarHBondContact O-N 2.89Å; E118-L122 HydrophobicContact CG-CD1 4.35Å; E118-L122 WeakPolarHBondContact O-CB 3.42Å; E118-L122 VanDerWaalsContact O-CG 3.24Å; E118-L122 WeakPolarHBondContact O-CG 3.35Å; E118-L122 PolarHBondContact O-N 3.16Å
119	K	42.7	Very low	37.4	Very low	149 Å²	149	133.3 Å²	133.3	65%	0.648	64%	0.64	S	S	*	*	H	α-helix	trans	-59.1	-39.7	170.5	-95.5	-176	175.8	177.9	0	112.8	K115 L116 L122 Q123	K115-K119 PolarHBondContact O-N 3.43Å; K115-K119 VanDerWaalsContact O-N 3.12Å; L116-K119 PolarHBondContact O-N 3.37Å; K119-L122 PolarHBondContact O-N 3.11Å; K119-Q123 WeakPolarHBondContact O-CG 3.35Å; K119-Q123 PolarHBondContact O-N 3.03Å
120	V	36.3	Very low	37.6	Very low	67 Å²	67	135.2 Å²	135.2	41%	0.406	66%	0.656	S	S	.	*	H	α-helix	trans	-71.6	-37	177.2	174.5	0	0	0	0	111.4	L116 S117 E118 L122 Q123 K124	L116-V120 WeakPolarHBondContact O-CG2 3.2Å; L116-V120 PolarHBondContact O-N 3.12Å; L116-V120 VanDerWaalsContact O-N 3.14Å; S117-V120 PolarHBondContact O-N 3.05Å; E118-V120 VanDerWaalsContact C-N 3.31Å; E118-V120 PolarHBondContact O-N 3.5Å; V120-L122 VanDerWaalsContact C-N 3.35Å; V120-Q123 PolarHBondContact O-N 3.41Å; V120-K124 HydrophobicContact CG1-CD 4.1Å; V120-K124 HydrophobicContact CG1-CG 4.4Å; V120-K124 WeakPolarHBondContact O-CB 3.31Å; V120-K124 WeakPolarHBondContact O-CG 3.45Å; V120-K124 PolarHBondContact O-N 2.77Å
121	R	37	Very low	37.7	Very low	190 Å²	190	138.1 Å²	138.1	72%	0.717	69%	0.685	S	S	*	*	H	α-helix	trans	-60.2	-43.7	171.2	-107.7	177.5	84.9	133.6	-1.5	111.8	S117 E118 Q123 K124 L125	S117-R121 PolarHBondContact O-N 3.3Å; E118-R121 WeakPolarHBondContact O-CB 3.2Å; E118-R121 PolarHBondContact O-N 2.89Å; R121-Q123 VanDerWaalsContact C-N 3.34Å; R121-Q123 PolarHBondContact O-N 3.03Å; R121-K124 PolarHBondContact O-N 2.95Å; R121-L125 PolarHBondContact O-N 3.02Å
122	L	38.9	Very low	37.8	Very low	123 Å²	123	138.1 Å²	138.1	64%	0.644	69%	0.687	S	S	*	*	H	α-helix	trans	-70.4	-27.8	-179.6	-70.1	167.6	0	0	0	113.3	E118 K119 V120	E118-L122 HydrophobicContact CG-CD1 4.35Å; E118-L122 WeakPolarHBondContact O-CB 3.42Å; E118-L122 VanDerWaalsContact O-CG 3.24Å; E118-L122 WeakPolarHBondContact O-CG 3.35Å; E118-L122 PolarHBondContact O-N 3.16Å; K119-L122 PolarHBondContact O-N 3.11Å; V120-L122 VanDerWaalsContact C-N 3.35Å
123	Q	43.5	Very low	38	Very low	164 Å²	164	140.6 Å²	140.6	77%	0.766	70%	0.701	S	S	*	*	H	α-helix	trans	-85.6	-25	174.9	-75.1	-176.5	-5.7	0	0	113.8	K119 V120 R121	K119-Q123 WeakPolarHBondContact O-CG 3.35Å; K119-Q123 PolarHBondContact O-N 3.03Å; V120-Q123 PolarHBondContact O-N 3.41Å; R121-Q123 VanDerWaalsContact C-N 3.34Å; R121-Q123 PolarHBondContact O-N 3.03Å
124	K	38	Very low	38.1	Very low	167 Å²	167	138.9 Å²	138.9	73%	0.726	70%	0.704	S	S	*	*	H	α-helix	trans	-87.7	-12.7	178.6	-78.5	-172.6	178	-177.5	0	114.6	V120 R121 P126	V120-K124 HydrophobicContact CG1-CD 4.1Å; V120-K124 HydrophobicContact CG1-CG 4.4Å; V120-K124 WeakPolarHBondContact O-CB 3.31Å; V120-K124 WeakPolarHBondContact O-CG 3.45Å; V120-K124 PolarHBondContact O-N 2.77Å; R121-K124 PolarHBondContact O-N 2.95Å; K124-P126 WeakPolarHBondContact O-CD 3.37Å
125	L	30.7	Very low	38.1	Very low	115 Å²	115	138.9 Å²	138.9	60%	0.602	71%	0.707	S	S	*	*	S	Bend	trans	-71.3	112.4	165.2	-77.3	161.8	0	0	0	106.7	R121 R127	R121-L125 PolarHBondContact O-N 3.02Å; L125-R127 PolarHBondContact O-N 2.71Å
126	P	37.8	Very low	37.7	Very low	111 Å²	111	138.9 Å²	138.9	72%	0.721	71%	0.713	S	S	*	*			trans	-53.3	120.5	162.5	24	-30.1	0	0	0	104.8	K124 S128	K124-P126 WeakPolarHBondContact O-CD 3.37Å; P126-S128 PolarHBondContact O-N 3.48Å
127	R	40.6	Very low	37.7	Very low	239 Å²	239	141.7 Å²	141.7	90%	0.902	73%	0.727	S	S	*	*			trans	-54.6	98.7	161.7	-76.6	-175.1	167.9	174.9	-3.7	103.9	L125 K129	L125-R127 PolarHBondContact O-N 2.71Å; R127-K129 VanDerWaalsContact C-N 3.33Å; R127-K129 PolarHBondContact O-N 3.33Å
128	S	39.4	Very low	38.1	Very low	109 Å²	109	146.9 Å²	146.9	76%	0.762	74%	0.744	S	S	*	*			trans	-55	114	168	58.6	0	0	0	0	103.1	P126 S130	P126-S128 PolarHBondContact O-N 3.48Å; S128-S130 PolarHBondContact O-N 2.91Å
129	K	35.7	Very low	38.3	Very low	188 Å²	188	148.8 Å²	148.8	82%	0.817	76%	0.758	S	S	*	*			trans	-54.9	118.2	165.4	-75.3	-179	175.5	179.4	0	103.8	R127 C131	R127-K129 VanDerWaalsContact C-N 3.33Å; R127-K129 PolarHBondContact O-N 3.33Å; K129-C131 PolarHBondContact O-N 3.03Å
130	S	38.4	Very low	37.9	Very low	118 Å²	118	148.8 Å²	148.8	83%	0.825	77%	0.767	S	S	*	*			trans	-44.8	110.8	155	50.2	0	0	0	0	107	S128	S128-S130 PolarHBondContact O-N 2.91Å
131	C	38.8	Very low	38	Very low	195 Å²	195	156.3 Å²	156.3	100%	1.318	80%	0.8	S	S	*	*			trans	-99.7	0	154.1	-73.8	0	0	0	0	106.4	K129	K129-C131 PolarHBondContact O-N 3.03Å

Retrieved 131 of 131 residues in 29.7 ms (Link to these results)

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