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Cleavage and polyadenylation specificity factor subunit 5

Component of the cleavage factor Im (CFIm) complex that functions as an activator of the pre-mRNA 3'-end cleavage and polyadenylation processing required for the maturation of pre-mRNA into functional mRNAs. CFIm contributes to the recruitment of multiprotein complexes on specific sequences on the pre-mRNA 3'-end, so called cleavage and polyadenylation signals (pA signals). Most pre-mRNAs contain multiple pA signals, resulting in alternative cleavage and polyadenylation (APA) producing mRNAs with variable 3'-end formation. The CFIm complex acts as a key regulator of cleavage and polyadenylation site choice during APA through its binding to 5'-UGUA-3' elements localized in the 3'-untranslated region (UTR) for a huge number of pre-mRNAs.

AlphaFold DB (A0A6P4WX06), UniProt , Accession A0A061IC83, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Nudt21, Length 227 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.4	Very low	47.9	Very low	243 Å²	243	153.1 Å²	153.1	100%	1.197	85%	0.848	S	S	*	*				0	104	0	-70.2	179.8	-171.7	0	0	107.5
2	S	39.1	Very low	49.4	Very low	118 Å²	118	146.2 Å²	146.2	83%	0.825	84%	0.837	S	S	*	*			trans	-87.7	118	-176.9	45.1	0	0	0	0	110
3	V	45.2	Very low	50.2	Low	140 Å²	140	153.5 Å²	153.5	85%	0.848	84%	0.843	S	S	*	*			trans	-86.7	114.2	177.5	-166	0	0	0	0	108.1
4	V	46.2	Very low	50.7	Low	124 Å²	124	151.2 Å²	151.2	75%	0.752	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-82.4	130.8	174.2	-177.2	0	0	0	0	108.2
5	P	48.9	Very low	51.4	Low	106 Å²	106	156.7 Å²	156.7	69%	0.688	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-76.3	148.6	176.2	30.1	-31.5	0	0	0	111.1
6	P	47.3	Very low	51.4	Low	128 Å²	128	151.8 Å²	151.8	83%	0.831	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-70.7	139.1	179.5	27.4	-30.8	0	0	0	111.6
7	N	45.9	Very low	51.3	Low	160 Å²	160	150.4 Å²	150.4	86%	0.856	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-57.9	133.3	-178.7	-153.1	2.8	0	0	0	111.3	S9	N7-S9 PolarHBondContact O-N 3.39Å
8	R	49.8	Very low	51.4	Low	235 Å²	235	149.1 Å²	149.1	89%	0.887	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-59.6	130.4	174.8	-81	179.2	178.1	174.4	-0.8	109.5	Q10	R8-Q10 PolarHBondContact O-N 3.29Å
9	S	48.7	Very low	51.2	Low	103 Å²	103	151.4 Å²	151.4	72%	0.72	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-56.9	118.9	171.9	42.4	0	0	0	0	110.6	N7 T11	N7-S9 PolarHBondContact O-N 3.39Å; S9-T11 PolarHBondContact O-N 3.23Å
10	Q	56.2	Low	51.5	Low	195 Å²	195	154 Å²	154	91%	0.911	83%	0.834	S	S	*	*			trans	-72.9	105.6	160.6	-73.4	-175.7	2.6	0	0	107.5	R8	R8-Q10 PolarHBondContact O-N 3.29Å
11	T	57.6	Low	51.6	Low	132 Å²	132	149.6 Å²	149.6	81%	0.81	83%	0.825	S	S	*	*			trans	-97.3	121.9	167.1	47.4	0	0	0	0	109.1	S9	S9-T11 PolarHBondContact O-N 3.23Å
12	G	65	Low	52.4	Low	70 Å²	70	145.2 Å²	145.2	72%	0.722	81%	0.807	S	S	*	*	S	Bend	trans	136.3	163.3	176.6	0	0	0	0	0	114.1
13	W	60.4	Low	53.6	Low	241 Å²	241	149.5 Å²	149.5	91%	0.913	81%	0.811	S	S	*	*	S	Bend	trans	-65.3	140.9	170.6	-73.6	83.6	0	0	0	110.5	R15	W13-R15 PolarHBondContact O-N 3.25Å
14	P	56.9	Low	54.8	Low	122 Å²	122	152.7 Å²	152.7	79%	0.792	81%	0.809	S	S	*	*			trans	-61.8	125.3	-174.2	23	-30.9	0	0	0	110.5
15	R	61.3	Low	56	Low	233 Å²	233	154.9 Å²	154.9	88%	0.879	82%	0.815	S	S	*	*			trans	-104.4	125.6	173.9	-66.9	-171	-177.1	-169.1	1	109.2	W13	W13-R15 PolarHBondContact O-N 3.25Å
16	G	50.6	Low	57.1	Low	79 Å²	79	158.8 Å²	158.8	81%	0.814	82%	0.823	S	S	*	*			trans	-58.7	152.6	174	0	0	0	0	0	112.5
17	V	50	Low	58.5	Low	128 Å²	128	161.1 Å²	161.1	78%	0.776	82%	0.823	S	S	*	*			trans	-84.2	134.7	-170.3	177.9	0	0	0	0	112
18	N	53.5	Low	60.2	Low	126 Å²	126	159.7 Å²	159.7	67%	0.674	82%	0.82	S	S	*	*			trans	53.7	139.2	156.1	-68.9	-14.6	0	0	0	121.3
19	Q	48.3	Very low	62	Low	193 Å²	193	155.1 Å²	155.1	90%	0.902	81%	0.807	S	S	*	*				-152.1	134.6	123.7	-109.9	170.1	29.5	0	0	112.2
20	F	56.7	Low	63.9	Low	203 Å²	203	153.6 Å²	153.6	89%	0.89	80%	0.795	S	S	*	*			trans	-72.2	126.3	168.2	-81	-102.6	0	0	0	109.1
21	G	53.8	Low	65.5	Low	62 Å²	62	149.5 Å²	149.5	64%	0.639	78%	0.778	S	S	*	*			trans	-162.6	145.4	173.9	0	0	0	0	0	109.4	K23	G21-K23 PolarHBondContact O-N 3.17Å
22	N	58.9	Low	66.9	Low	151 Å²	151	149.5 Å²	149.5	81%	0.807	78%	0.779	S	S	*	*			trans	-45.7	123.5	-176.9	-76.8	-23.8	0	0	0	111.6	Y24	N22-Y24 PolarHBondContact O-N 3.21Å
23	K	64.4	Low	68.1	Low	209 Å²	209	152.8 Å²	152.8	91%	0.909	78%	0.779	S	S	*	*			trans	-75.7	106.2	-178.6	-65.9	-179.2	-178.3	178.2	0	108.7	G21	G21-K23 PolarHBondContact O-N 3.17Å
24	Y	69.3	Low	69.5	Low	206 Å²	206	144.5 Å²	144.5	81%	0.808	75%	0.75	S	S	*	*	P	Polyproline II helix	trans	-62.5	142	164.6	-61.6	-81.3	0	0	0	109.3	N22 Q26	N22-Y24 PolarHBondContact O-N 3.21Å; Y24-Q26 PolarHBondContact O-N 3.07Å
25	I	71.7	Confident	71.5	Confident	171 Å²	171	140.5 Å²	140.5	88%	0.877	72%	0.719	S	S	*	*	P	Polyproline II helix	trans	-59.9	116.2	169.4	-64.5	177.5	0	0	0	106.7	Q27	I25-Q27 PolarHBondContact O-N 2.77Å
26	Q	72.5	Confident	73.2	Confident	187 Å²	187	132.2 Å²	132.2	87%	0.874	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-66.5	124.7	178.3	-77.9	-177.1	-22	0	0	109	Y24	Y24-Q26 PolarHBondContact O-N 3.07Å
27	Q	77.2	Confident	75.5	Confident	177 Å²	177	128.6 Å²	128.6	83%	0.827	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-60.4	149.7	171.3	-165.4	171	7.3	0	0	109.6	I25 K29	I25-Q27 PolarHBondContact O-N 2.77Å; Q27-K29 PolarHBondContact O-N 3.3Å
28	T	81.6	Confident	77.8	Confident	130 Å²	130	125.7 Å²	125.7	80%	0.798	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-54.9	139.5	173.1	42.6	0	0	0	0	109.9
29	K	86.3	Confident	79.9	Confident	139 Å²	139	119.8 Å²	119.8	60%	0.604	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-58.8	145	-179.4	-60.7	-179.2	-161.5	159.4	0	109.9	Q27 E34	Q27-K29 PolarHBondContact O-N 3.3Å; K29-E34 WeakPolarHBondContact CD-OE2 3.44Å; K29-E34 IonicContact NZ-OE2 2.77Å; K29-E34 PolarHBondContact NZ-OE2 3.45Å
30	P	88.8	Confident	82.3	Confident	71 Å²	71	112.5 Å²	112.5	46%	0.461	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-52	139.5	173.4	-26.6	31.3	0	0	0	112.8	T32 L33 E34	P30-T32 PolarHBondContact O-N 2.95Å; P30-T32 VanDerWaalsContact O-N 3.13Å; P30-L33 HydrophobicContact CB-CD1 4.48Å; P30-L33 HydrophobicContact CB-CG 4.46Å; P30-L33 HydrophobicContact CG-CD1 4.13Å; P30-L33 PolarHBondContact O-N 3.38Å; P30-E34 PolarHBondContact O-N 3.28Å; P30-E34 VanDerWaalsContact O-N 3.17Å
31	L	89.8	Confident	84.3	Confident	109 Å²	109	104.2 Å²	104.2	57%	0.571	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.3	175.6	-65.1	179.6	0	0	0	113.2	L33	L31-L33 VanDerWaalsContact C-N 3.3Å
32	T	88.6	Confident	86.5	Confident	133 Å²	133	103 Å²	103	82%	0.816	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-23.6	173.8	52.5	0	0	0	0	113.3	P30	P30-T32 PolarHBondContact O-N 2.95Å; P30-T32 VanDerWaalsContact O-N 3.13Å
33	L	88.5	Confident	88.3	Confident	138 Å²	138	101.8 Å²	101.8	72%	0.723	51%	0.514	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-38.4	178.2	-70.2	176.2	0	0	0	112.1	P30 L31	P30-L33 HydrophobicContact CB-CD1 4.48Å; P30-L33 HydrophobicContact CB-CG 4.46Å; P30-L33 HydrophobicContact CG-CD1 4.13Å; P30-L33 PolarHBondContact O-N 3.38Å; L31-L33 VanDerWaalsContact C-N 3.3Å
34	E	91.5	Very high	89.9	Confident	68 Å²	68	93.8 Å²	93.8	32%	0.318	48%	0.481	S	S	.	.			trans	-144.3	106.1	-179.8	-168.9	171.7	-178.6	0	0	109.3	K29 P30 N223	K29-E34 WeakPolarHBondContact CD-OE2 3.44Å; K29-E34 IonicContact NZ-OE2 2.77Å; K29-E34 PolarHBondContact NZ-OE2 3.45Å; P30-E34 PolarHBondContact O-N 3.28Å; P30-E34 VanDerWaalsContact O-N 3.17Å; E34-N223 HydrophobicContact CG-CB 4.32Å; E34-N223 PolarHBondContact OE1-ND2 3.29Å
35	R	97.3	Very high	91.2	Very high	37 Å²	37	84.4 Å²	84.4	14%	0.14	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	105.3	177.8	-172.9	59.8	172	153.6	0.2	109.8	I37 D142 D143 F222 N223	R35-I37 HydrophobicContact CG-CD1 4.21Å; R35-I37 HydrophobicContact CG-CG1 4.49Å; R35-D142 IonicContact NH2-OD2 3.39Å; R35-D142 PolarHBondContact NH2-OD2 2.81Å; R35-D143 IonicContact CZ-OD2 3.34Å; R35-D143 IonicContact NE-OD1 2.73Å; R35-D143 PolarHBondContact NE-OD1 3Å; R35-D143 IonicContact NE-OD2 2.75Å; R35-D143 PolarHBondContact NE-OD2 3.44Å; R35-D143 IonicContact NH2-OD2 3.11Å; R35-D143 PolarHBondContact NH2-OD2 2.89Å; R35-F222 HydrophobicContact CB-CD1 3.87Å; R35-F222 HydrophobicContact CB-CE1 4.16Å; R35-F222 HydrophobicContact CG-CD1 3.69Å; R35-F222 HydrophobicContact CG-CE1 3.68Å; R35-N223 PolarHBondContact O-N 3.28Å
36	T	97.9	Very high	92.3	Very high	60 Å²	60	79.9 Å²	79.9	37%	0.368	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	131	178	-55.8	0	0	0	0	110.9	N223 I225	T36-N223 VanDerWaalsContact CA-O 3.31Å; T36-N223 WeakPolarHBondContact CA-O 3.44Å; T36-I225 HydrophobicContact CG2-CD1 3.83Å; T36-I225 HydrophobicContact CG2-CG1 3.38Å
37	I	98.4	Very high	93.3	Very high	2 Å²	2	75.4 Å²	75.4	1%	0.01	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.9	178.8	-59.4	-64.3	0	0	0	109.1	R35 L39 L176 Q178 F222 N223 F224 I225	R35-I37 HydrophobicContact CG-CD1 4.21Å; R35-I37 HydrophobicContact CG-CG1 4.49Å; I37-L39 HydrophobicContact CG2-CD2 4.13Å; I37-L176 HydrophobicContact CD1-CD2 3.98Å; I37-L176 HydrophobicContact CG1-CD1 4.34Å; I37-L176 HydrophobicContact CG1-CD2 4.37Å; I37-L176 HydrophobicContact CG2-CD2 4.14Å; I37-Q178 HydrophobicContact CD1-CG 4.01Å; I37-Q178 HydrophobicContact CG2-CG 4.43Å; I37-F222 HydrophobicContact CD1-CD1 4.24Å; I37-F222 HydrophobicContact CD1-CE1 4.36Å; I37-F222 HydrophobicContact CG1-CB 4.29Å; I37-F222 HydrophobicContact CG1-CD1 3.51Å; I37-F222 HydrophobicContact CG1-CE1 4.08Å; I37-F222 HydrophobicContact CG1-CG 4.13Å; I37-N223 PolarHBondContact N-O 3.49Å; I37-F224 HydrophobicContact CB-CD1 3.96Å; I37-F224 HydrophobicContact CB-CE1 4.1Å; I37-F224 HydrophobicContact CG2-CD1 4.21Å; I37-F224 HydrophobicContact CG2-CE1 4.17Å; I37-F224 WeakPolarHBondContact O-CA 3.48Å; I37-I225 PolarHBondContact O-N 2.92Å
38	N	98.6	Very high	94.1	Very high	68 Å²	68	68.2 Å²	68.2	36%	0.364	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	125.7	175.1	-72	-49.2	0	0	0	110.3	Y40 I225 N227	N38-Y40 HydrophobicContact CB-CE2 4.06Å; N38-I225 WeakPolarHBondContact OD1-CB 3.48Å; N38-N227 WeakPolarHBondContact CB-ND2 3.42Å; N38-N227 PolarHBondContact OD1-ND2 3.1Å
39	L	98.8	Very high	94.6	Very high	2 Å²	2	67.1 Å²	67.1	1%	0.01	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	146.4	168.4	-54.9	-172.7	0	0	0	108.7	I37 I85 H87 P92 F224 I225 Y226 N227	I37-L39 HydrophobicContact CG2-CD2 4.13Å; L39-I85 HydrophobicContact CD1-CG2 3.77Å; L39-I85 HydrophobicContact CD2-CB 3.67Å; L39-I85 HydrophobicContact CD2-CG2 3.57Å; L39-I85 HydrophobicContact CG-CG2 4.33Å; L39-H87 HydrophobicContact CB-CB 4.36Å; L39-H87 HydrophobicContact CD1-CB 4.46Å; L39-P92 HydrophobicContact CD1-CB 4.09Å; L39-P92 HydrophobicContact CD1-CG 4.24Å; L39-F224 HydrophobicContact CD1-CB 3.83Å; L39-F224 HydrophobicContact CD1-CD1 3.65Å; L39-F224 HydrophobicContact CD1-CD2 4.3Å; L39-F224 HydrophobicContact CD1-CE1 4.28Å; L39-F224 HydrophobicContact CD1-CG 3.67Å; L39-F224 HydrophobicContact CD2-CD1 3.82Å; L39-F224 HydrophobicContact CD2-CE1 4.08Å; L39-F224 HydrophobicContact CG-CB 4.17Å; L39-F224 HydrophobicContact CG-CD1 3.7Å; L39-F224 HydrophobicContact CG-CE1 4.41Å; L39-F224 HydrophobicContact CG-CG 4.13Å; L39-I225 PolarHBondContact N-O 2.75Å; L39-I225 VanDerWaalsContact O-O 3.14Å; L39-Y226 HydrophobicContact CD1-CD1 4.28Å; L39-Y226 HydrophobicContact CD1-CE1 3.97Å; L39-N227 WeakPolarHBondContact O-CB 3.34Å; L39-N227 PolarHBondContact O-N 3.39Å; L39-N227 PolarHBondContact O-ND2 3.1Å
40	Y	98.8	Very high	95	Very high	39 Å²	39	61.3 Å²	61.3	15%	0.153	34%	0.343	C	S	.	.			trans	-122.9	158.5	176.3	-55.9	-83.7	0	0	0	110.8	N38 Y45 H87 L179 E181 N227	N38-Y40 HydrophobicContact CB-CE2 4.06Å; Y40-Y45 WeakPolarHBondContact CB-OH 3.31Å; Y40-Y45 WeakPolarHBondContact CD2-OH 3.41Å; Y40-H87 PolarHBondContact O-CD2 3.11Å; Y40-H87 PolarHBondContact O-N 3.13Å; Y40-L179 WeakPolarHBondContact CE2-O 3.21Å; Y40-E181 HydrophobicContact CD1-CB 4.02Å; Y40-E181 HydrophobicContact CD1-CG 3.67Å; Y40-E181 HydrophobicContact CE1-CB 3.76Å; Y40-E181 HydrophobicContact CE1-CG 3.7Å; Y40-E181 HydrophobicContact CE2-CB 4.4Å; Y40-E181 HydrophobicContact CG-CB 4.44Å; Y40-E181 HydrophobicContact CG-CG 4.36Å; Y40-N227 HydrophobicContact CD1-CB 3.64Å; Y40-N227 HydrophobicContact CE1-CB 3.79Å
41	P	98.7	Very high	95.3	Very high	30 Å²	30	63.4 Å²	63.4	20%	0.195	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-57.6	142	-179.1	-25.9	35.9	0	0	0	112.1	T43 N44 Y45 H87 N227	P41-T43 PolarHBondContact O-N 2.94Å; P41-T43 VanDerWaalsContact O-N 3.12Å; P41-N44 VanDerWaalsContact O-CB 3.31Å; P41-N44 WeakPolarHBondContact O-CB 3.19Å; P41-N44 PolarHBondContact O-N 3.16Å; P41-Y45 WeakPolarHBondContact O-CD2 3.39Å; P41-H87 CarbonylContact C-O 3.44Å; P41-H87 VanDerWaalsContact CA-O 3.26Å; P41-H87 WeakPolarHBondContact CA-O 3.45Å; P41-N227 WeakPolarHBondContact CD-O 3.5Å
42	L	98.3	Very high	95.5	Very high	37 Å²	37	60.1 Å²	60.1	19%	0.194	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-52.4	-35.8	174.9	174.2	60.6	0	0	0	112.1	N44 Y45 F47 V86 H87 A195	L42-N44 PolarHBondContact O-N 3.17Å; L42-Y45 PolarHBondContact O-N 3.13Å; L42-Y45 VanDerWaalsContact O-N 3.08Å; L42-F47 HydrophobicContact CD1-CE2 4.12Å; L42-F47 HydrophobicContact CD1-CZ 3.83Å; L42-V86 HydrophobicContact CB-CG2 4.16Å; L42-V86 HydrophobicContact CD1-CG2 4Å; L42-H87 PolarHBondContact N-O 3.12Å; L42-A195 HydrophobicContact CD1-CB 4.05Å; L42-A195 HydrophobicContact CD2-CB 3.98Å
43	T	97.9	Very high	95.7	Very high	125 Å²	125	56.1 Å²	56.1	77%	0.767	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-65	-15.1	178.3	50.5	0	0	0	0	114.5	P41 Y45	P41-T43 PolarHBondContact O-N 2.94Å; P41-T43 VanDerWaalsContact O-N 3.12Å; T43-Y45 PolarHBondContact O-N 2.94Å
44	N	97.9	Very high	95.8	Very high	41 Å²	41	58.2 Å²	58.2	22%	0.219	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-74.7	-15.1	173.2	-76.5	16.6	0	0	0	113.1	P41 L42 E181 K182	P41-N44 VanDerWaalsContact O-CB 3.31Å; P41-N44 WeakPolarHBondContact O-CB 3.19Å; P41-N44 PolarHBondContact O-N 3.16Å; L42-N44 PolarHBondContact O-N 3.17Å; N44-E181 WeakPolarHBondContact CB-O 3.13Å; N44-E181 PolarHBondContact ND2-O 2.96Å; N44-K182 HydrophobicContact CB-CG 4.21Å
45	Y	97.1	Very high	95.7	Very high	8 Å²	8	59.7 Å²	59.7	3%	0.031	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	133.4	-176.4	-57.2	-75.3	0	0	0	110.4	Y40 P41 L42 T43 V86 L179 Q180 A183 F185	Y40-Y45 WeakPolarHBondContact CB-OH 3.31Å; Y40-Y45 WeakPolarHBondContact CD2-OH 3.41Å; P41-Y45 WeakPolarHBondContact O-CD2 3.39Å; L42-Y45 PolarHBondContact O-N 3.13Å; L42-Y45 VanDerWaalsContact O-N 3.08Å; T43-Y45 PolarHBondContact O-N 2.94Å; Y45-V86 HydrophobicContact CD2-CB 4.36Å; Y45-V86 HydrophobicContact CD2-CG1 3.55Å; Y45-V86 HydrophobicContact CE2-CB 4.09Å; Y45-V86 HydrophobicContact CE2-CG1 3.34Å; Y45-V86 HydrophobicContact CG-CG1 4.45Å; Y45-L179 HydrophobicContact CD1-CD1 4.41Å; Y45-L179 HydrophobicContact CE1-CB 4Å; Y45-L179 HydrophobicContact CE1-CD1 3.79Å; Y45-L179 HydrophobicContact CE1-CG 4.36Å; Y45-L179 HydrophobicContact CE2-CD1 4.27Å; Y45-L179 VanDerWaalsContact OH-CB 3.29Å; Y45-L179 WeakPolarHBondContact OH-CB 3.47Å; Y45-Q180 WeakPolarHBondContact CE1-O 3.45Å; Y45-Q180 PolarHBondContact OH-O 2.92Å; Y45-A183 WeakPolarHBondContact CA-O 3.49Å; Y45-A183 HydrophobicContact CD1-CB 3.92Å; Y45-A183 HydrophobicContact CE1-CB 4.13Å; Y45-F185 AromaticContact CD1-CE2 3.75Å; Y45-F185 HydrophobicContact CD1-CE2 3.75Å; Y45-F185 HydrophobicContact CD1-CZ 4.08Å; Y45-F185 HydrophobicContact CG-CE2 4.04Å
46	T	94.5	Very high	95.3	Very high	77 Å²	77	65.2 Å²	65.2	47%	0.472	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	143.3	178.8	45.8	0	0	0	0	109.7	A183 L184 F185	T46-A183 PolarHBondContact N-O 2.81Å; T46-A183 PolarHBondContact OG1-O 3.24Å; T46-L184 WeakPolarHBondContact OG1-CA 3.29Å; T46-L184 WeakPolarHBondContact OG1-CD1 3.44Å; T46-F185 PolarHBondContact O-N 3.49Å
47	F	93.6	Very high	95	Very high	92 Å²	92	63.8 Å²	63.8	40%	0.404	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	99.7	-175.4	-52.1	-71.4	0	0	0	109.3	L42 F185 L193	L42-F47 HydrophobicContact CD1-CE2 4.12Å; L42-F47 HydrophobicContact CD1-CZ 3.83Å; F47-F185 CarbonylContact C-O 3.57Å; F47-F185 HydrophobicContact CD1-CB 4.25Å; F47-F185 AromaticContact CD1-CD2 3.87Å; F47-F185 HydrophobicContact CD1-CD2 3.87Å; F47-F185 AromaticContact CE1-CD2 3.61Å; F47-F185 HydrophobicContact CE1-CD2 3.61Å; F47-F185 HydrophobicContact CE1-CE2 4.21Å; F47-L193 HydrophobicContact CD1-CB 4.47Å; F47-L193 HydrophobicContact CD1-CD2 3.67Å; F47-L193 HydrophobicContact CD1-CG 4.37Å; F47-L193 HydrophobicContact CE1-CD2 3.55Å; F47-L193 HydrophobicContact CE1-CG 4.14Å
48	G	92.6	Very high	94.7	Very high	26 Å²	26	69.3 Å²	69.3	27%	0.268	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	169.5	167.7	0	0	0	0	0	111.5	F185 V187	G48-F185 PolarHBondContact N-O 2.75Å; G48-V187 PolarHBondContact O-N 2.95Å
49	T	93.3	Very high	94.3	Very high	107 Å²	107	68.8 Å²	68.8	66%	0.656	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.4	147.6	174.6	59.9	0	0	0	0	110.9	V187	T49-V187 CarbonylContact C-O 3.59Å; T49-V187 VanDerWaalsContact CA-O 3.29Å; T49-V187 WeakPolarHBondContact CA-O 3.36Å
50	K	94.6	Very high	93.9	Very high	17 Å²	17	73.5 Å²	73.5	7%	0.074	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	177.5	171.5	67.7	177.7	177	-164.3	0	111.4	E127 I128 G130 Q132 A186 V187 P188 K189	K50-E127 PolarHBondContact NZ-O 3.16Å; K50-I128 WeakPolarHBondContact CE-O 3.39Å; K50-I128 PolarHBondContact NZ-O 2.92Å; K50-G130 PolarHBondContact NZ-O 3.02Å; K50-Q132 HydrophobicContact CB-CG 4.48Å; K50-Q132 HydrophobicContact CD-CG 4.39Å; K50-A186 HydrophobicContact CB-CB 4.32Å; K50-A186 HydrophobicContact CD-CB 4.02Å; K50-A186 WeakPolarHBondContact CD-O 3.43Å; K50-A186 WeakPolarHBondContact CE-O 3.44Å; K50-A186 HydrophobicContact CG-CB 4.31Å; K50-A186 PolarHBondContact NZ-O 3.37Å; K50-V187 PolarHBondContact N-O 2.82Å; K50-P188 HydrophobicContact CG-CG 4.5Å; K50-K189 WeakPolarHBondContact O-CG 3.48Å; K50-K189 PolarHBondContact O-N 2.73Å
51	E	94.9	Very high	93.7	Very high	115 Å²	115	75.2 Å²	75.2	54%	0.537	42%	0.419	S	S	.	.	S	Bend	trans	-54.7	147.2	179.2	-68.6	-50.7	113.3	0	0	112.8	P188 K189	E51-P188 WeakPolarHBondContact O-CB 3.38Å; E51-K189 IonicContact OE1-NZ 3.12Å; E51-K189 PolarHBondContact OE1-NZ 3.39Å
52	P	94.3	Very high	93.6	Very high	40 Å²	40	75.3 Å²	75.3	26%	0.26	42%	0.422	S	S	.	.			trans	-62.7	144.7	-174.1	26.4	-34.4	0	0	0	111.6	Y54 N190	P52-Y54 HydrophobicContact CB-CE2 4.1Å; P52-Y54 HydrophobicContact CG-CE2 3.85Å; P52-N190 WeakPolarHBondContact CA-OD1 3.38Å; P52-N190 HydrophobicContact CB-CB 4.05Å; P52-N190 WeakPolarHBondContact CB-OD1 3.25Å
53	L	92.5	Very high	93.5	Very high	50 Å²	50	77.7 Å²	77.7	26%	0.262	43%	0.429	S	S	.	.			trans	-110	110	177.1	-175.9	65	0	0	0	108.6	I128 P188 N190 Y191	L53-I128 HydrophobicContact CD2-CG1 3.86Å; L53-P188 HydrophobicContact CB-CB 3.76Å; L53-P188 HydrophobicContact CB-CG 3.72Å; L53-P188 HydrophobicContact CD2-CG 4.39Å; L53-N190 PolarHBondContact N-OD1 2.99Å; L53-N190 PolarHBondContact O-ND2 2.69Å; L53-Y191 WeakPolarHBondContact O-CE2 3.46Å
54	Y	90.6	Very high	93.5	Very high	182 Å²	182	72.6 Å²	72.6	71%	0.714	40%	0.396	S	S	*	.			trans	-88.4	143.3	-178.8	-64	-74.9	0	0	0	111.5	P52	P52-Y54 HydrophobicContact CB-CE2 4.1Å; P52-Y54 HydrophobicContact CG-CE2 3.85Å
55	E	88.6	Confident	93.5	Very high	99 Å²	99	75.2 Å²	75.2	46%	0.463	41%	0.407	S	S	.	.			trans	-66	145.2	172.7	-68.1	-71.4	132.1	0	0	110.9	D57 K105 Y191	E55-D57 PolarHBondContact O-N 3.26Å; E55-K105 IonicContact OE1-NZ 2.67Å; E55-K105 PolarHBondContact OE1-NZ 2.95Å; E55-K105 IonicContact OE2-NZ 3.29Å; E55-K105 PolarHBondContact OE2-NZ 2.8Å; E55-Y191 PolarHBondContact OE1-OH 3.09Å
56	K	90	Very high	93.5	Very high	153 Å²	153	76.6 Å²	76.6	67%	0.665	41%	0.412	S	S	*	.	S	Bend	trans	-60.9	-35.6	174.8	-65.8	-177.3	-174.6	174.3	0	112.3	E110	K56-E110 IonicContact NZ-OE2 3.63Å; K56-E110 PolarHBondContact NZ-OE2 2.85Å
57	D	92.1	Very high	93.7	Very high	29 Å²	29	73 Å²	73	16%	0.155	39%	0.39	C	S	.	.			trans	-105.1	120.8	-173.3	-55.7	-52.6	0	0	0	110.5	E55 S59 A62 R63 R66	E55-D57 PolarHBondContact O-N 3.26Å; D57-S59 VanDerWaalsContact C-N 3.25Å; D57-S59 PolarHBondContact O-N 3.33Å; D57-A62 HydrophobicContact CB-CB 4.5Å; D57-R63 HydrophobicContact CB-CB 3.79Å; D57-R63 VanDerWaalsContact CG-CA 3.42Å; D57-R63 WeakPolarHBondContact OD2-CA 3.28Å; D57-R63 WeakPolarHBondContact OD2-CB 3.47Å; D57-R63 WeakPolarHBondContact OD2-CG 3.41Å; D57-R66 IonicContact OD1-CZ 3.76Å; D57-R66 IonicContact OD1-NE 3.83Å; D57-R66 PolarHBondContact OD1-NE 3.26Å; D57-R66 IonicContact OD1-NH2 2.81Å; D57-R66 IonicContact OD2-CZ 2.73Å; D57-R66 IonicContact OD2-NE 3.24Å; D57-R66 PolarHBondContact OD2-NE 2.95Å; D57-R66 IonicContact OD2-NH2 3.43Å; D57-R66 PolarHBondContact OD2-NH2 3.1Å
58	S	90.4	Very high	93.9	Very high	118 Å²	118	73.4 Å²	73.4	83%	0.825	39%	0.389	S	S	*	.	S	Bend	trans	-73.1	-15.9	179.8	59.8	0	0	0	0	114
59	S	91.5	Very high	94.1	Very high	57 Å²	57	76.4 Å²	76.4	40%	0.399	40%	0.396	S	S	.	.	S	Bend	trans	-155.1	163.9	-178.5	67.6	0	0	0	0	111.9	D57 A61 A62 R63	D57-S59 VanDerWaalsContact C-N 3.25Å; D57-S59 PolarHBondContact O-N 3.33Å; S59-A61 PolarHBondContact O-N 2.85Å; S59-A62 PolarHBondContact O-N 3.16Å; S59-A62 WeakPolarHBondContact OG-CB 3.46Å; S59-A62 PolarHBondContact OG-N 3.26Å; S59-A62 VanDerWaalsContact OG-N 3.12Å; S59-R63 PolarHBondContact O-N 3.09Å
60	V	89.9	Confident	94.4	Very high	101 Å²	101	73.6 Å²	73.6	61%	0.612	38%	0.375	S	S	*	.	H	α-helix	trans	-59	-38	173.4	178	0	0	0	0	111.5	R63 F64	V60-R63 PolarHBondContact O-N 3.17Å; V60-F64 HydrophobicContact CG1-CD2 3.82Å; V60-F64 HydrophobicContact CG1-CE2 3.48Å; V60-F64 VanDerWaalsContact CG1-CE2 3.48Å; V60-F64 VanDerWaalsContact O-CD2 3.25Å; V60-F64 WeakPolarHBondContact O-CD2 3.43Å; V60-F64 PolarHBondContact O-N 3.28Å
61	A	94.5	Very high	94.5	Very high	75 Å²	75	74.8 Å²	74.8	62%	0.62	38%	0.38	S	S	*	.	H	α-helix	trans	-64.3	-47.3	176.9	0	0	0	0	0	111.5	S59 R63 F64 Q65	S59-A61 PolarHBondContact O-N 2.85Å; A61-R63 VanDerWaalsContact C-N 3.3Å; A61-R63 PolarHBondContact O-N 2.9Å; A61-F64 PolarHBondContact O-N 3.03Å; A61-Q65 WeakPolarHBondContact O-CB 3.45Å; A61-Q65 PolarHBondContact O-N 3.12Å
62	A	96.7	Very high	94.7	Very high	33 Å²	33	75.7 Å²	75.7	27%	0.273	39%	0.389	S	S	.	.	H	α-helix	trans	-59.9	-40.9	176.7	0	0	0	0	0	111.7	D57 S59 F64 Q65 R66	D57-A62 HydrophobicContact CB-CB 4.5Å; S59-A62 PolarHBondContact O-N 3.16Å; S59-A62 WeakPolarHBondContact OG-CB 3.46Å; S59-A62 PolarHBondContact OG-N 3.26Å; S59-A62 VanDerWaalsContact OG-N 3.12Å; A62-F64 PolarHBondContact O-N 2.82Å; A62-Q65 PolarHBondContact O-N 3.14Å; A62-R66 PolarHBondContact O-N 3.34Å
63	R	96.3	Very high	94.8	Very high	87 Å²	87	81.8 Å²	81.8	33%	0.328	41%	0.411	S	S	.	.	H	α-helix	trans	-57.8	-49.5	176.7	179	179.4	174.2	-168.3	-0	112.6	D57 S59 V60 A61 Q65 M67	D57-R63 HydrophobicContact CB-CB 3.79Å; D57-R63 VanDerWaalsContact CG-CA 3.42Å; D57-R63 WeakPolarHBondContact OD2-CA 3.28Å; D57-R63 WeakPolarHBondContact OD2-CB 3.47Å; D57-R63 WeakPolarHBondContact OD2-CG 3.41Å; S59-R63 PolarHBondContact O-N 3.09Å; V60-R63 PolarHBondContact O-N 3.17Å; A61-R63 VanDerWaalsContact C-N 3.3Å; A61-R63 PolarHBondContact O-N 2.9Å; R63-Q65 VanDerWaalsContact C-N 3.35Å; R63-M67 WeakPolarHBondContact O-CB 3.47Å; R63-M67 PolarHBondContact O-N 3.28Å
64	F	96.8	Very high	95	Very high	18 Å²	18	84.1 Å²	84.1	8%	0.079	42%	0.423	C	S	.	.	H	α-helix	trans	-73.3	-28.8	-179.9	-70	-57.9	0	0	0	112.8	V60 A61 A62 M67 R68 F153 E154 P155	V60-F64 HydrophobicContact CG1-CD2 3.82Å; V60-F64 HydrophobicContact CG1-CE2 3.48Å; V60-F64 VanDerWaalsContact CG1-CE2 3.48Å; V60-F64 VanDerWaalsContact O-CD2 3.25Å; V60-F64 WeakPolarHBondContact O-CD2 3.43Å; V60-F64 PolarHBondContact O-N 3.28Å; A61-F64 PolarHBondContact O-N 3.03Å; A62-F64 PolarHBondContact O-N 2.82Å; F64-M67 HydrophobicContact CD1-SD 4.33Å; F64-M67 PolarHBondContact O-N 3.33Å; F64-R68 WeakPolarHBondContact O-CG 3.26Å; F64-R68 PolarHBondContact O-N 3.4Å; F64-R68 VanDerWaalsContact O-N 3.12Å; F64-R68 PolarHBondContact O-NE 2.8Å; F64-F153 VanDerWaalsContact CD1-C 3.4Å; F64-F153 HydrophobicContact CD1-CB 4.42Å; F64-F153 WeakPolarHBondContact CD1-O 3.43Å; F64-E154 VanDerWaalsContact CE1-C 3.49Å; F64-P155 HydrophobicContact CE2-CG 4.05Å; F64-P155 HydrophobicContact CZ-CG 3.93Å
65	Q	97.9	Very high	95.4	Very high	95 Å²	95	76.8 Å²	76.8	44%	0.444	40%	0.403	S	S	.	.	H	α-helix	trans	-64.5	-51.8	172.7	-178	56.4	29.7	0	0	111.1	A61 A62 R63 M67 R68 E69	A61-Q65 WeakPolarHBondContact O-CB 3.45Å; A61-Q65 PolarHBondContact O-N 3.12Å; A62-Q65 PolarHBondContact O-N 3.14Å; R63-Q65 VanDerWaalsContact C-N 3.35Å; Q65-M67 VanDerWaalsContact C-N 3.26Å; Q65-M67 PolarHBondContact O-N 3.27Å; Q65-R68 WeakPolarHBondContact O-CB 3.47Å; Q65-R68 PolarHBondContact O-N 3.28Å; Q65-R68 VanDerWaalsContact O-N 3.08Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.23Å; Q65-E69 PolarHBondContact NE2-OE1 2.74Å; Q65-E69 WeakPolarHBondContact O-CG 3.26Å; Q65-E69 PolarHBondContact O-N 3.16Å; Q65-E69 VanDerWaalsContact O-N 3.1Å
66	R	97.9	Very high	95.8	Very high	38 Å²	38	75.3 Å²	75.3	14%	0.143	40%	0.397	C	S	.	.	H	α-helix	trans	-59.2	-38.6	175.1	-176.7	176.6	62.5	91.6	-3.2	112.1	D57 A62 R68 E69 E70 R77 E110	D57-R66 IonicContact OD1-CZ 3.76Å; D57-R66 IonicContact OD1-NE 3.83Å; D57-R66 PolarHBondContact OD1-NE 3.26Å; D57-R66 IonicContact OD1-NH2 2.81Å; D57-R66 IonicContact OD2-CZ 2.73Å; D57-R66 IonicContact OD2-NE 3.24Å; D57-R66 PolarHBondContact OD2-NE 2.95Å; D57-R66 IonicContact OD2-NH2 3.43Å; D57-R66 PolarHBondContact OD2-NH2 3.1Å; A62-R66 PolarHBondContact O-N 3.34Å; R66-R68 VanDerWaalsContact C-N 3.31Å; R66-R68 PolarHBondContact O-N 3.49Å; R66-E69 PolarHBondContact O-N 3.04Å; R66-E70 WeakPolarHBondContact CD-OE1 3.5Å; R66-E70 HydrophobicContact CG-CG 4.27Å; R66-E70 WeakPolarHBondContact CG-OE1 3.45Å; R66-E70 IonicContact CZ-OE1 3.46Å; R66-E70 IonicContact NE-OE1 2.79Å; R66-E70 IonicContact NH1-OE1 3.61Å; R66-E70 PolarHBondContact NH1-OE1 3.09Å; R66-E70 IonicContact NH1-OE2 2.75Å; R66-E70 PolarHBondContact NH1-OE2 3.1Å; R66-E70 WeakPolarHBondContact O-CB 3.36Å; R66-E70 WeakPolarHBondContact O-CG 3.45Å; R66-E70 PolarHBondContact O-N 3.34Å; R66-R77 VanDerWaalsContact NH1-NH2 3.12Å; R66-E110 IonicContact CZ-OE1 3.58Å; R66-E110 IonicContact CZ-OE2 3.94Å; R66-E110 VanDerWaalsContact NH1-CD 3.34Å; R66-E110 IonicContact NH1-OE1 3.63Å; R66-E110 PolarHBondContact NH1-OE1 3.4Å; R66-E110 VanDerWaalsContact NH1-OE1 3.12Å; R66-E110 IonicContact NH1-OE2 3.69Å; R66-E110 PolarHBondContact NH1-OE2 3.05Å; R66-E110 IonicContact NH2-OE1 2.9Å; R66-E110 PolarHBondContact NH2-OE1 2.98Å; R66-E110 IonicContact NH2-OE2 3.53Å
67	M	98.1	Very high	96.3	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-61.6	-37.9	176.7	-169.9	-178	-75.4	0	0	112.3	R63 F64 Q65 F71 R77 F153 K169	R63-M67 WeakPolarHBondContact O-CB 3.47Å; R63-M67 PolarHBondContact O-N 3.28Å; F64-M67 HydrophobicContact CD1-SD 4.33Å; F64-M67 PolarHBondContact O-N 3.33Å; Q65-M67 VanDerWaalsContact C-N 3.26Å; Q65-M67 PolarHBondContact O-N 3.27Å; M67-F71 WeakPolarHBondContact O-CB 3.46Å; M67-F71 PolarHBondContact O-N 3.48Å; M67-R77 VanDerWaalsContact CA-NH2 3.34Å; M67-F153 HydrophobicContact CB-CD1 4.12Å; M67-F153 HydrophobicContact CB-CE1 4.44Å; M67-F153 HydrophobicContact CG-CD1 3.78Å; M67-F153 HydrophobicContact CG-CE1 3.95Å; M67-F153 WeakPolarHBondContact O-CE1 3.49Å; M67-F153 HydrophobicContact SD-CD1 3.97Å; M67-K169 HydrophobicContact SD-CB 4.19Å
68	R	98.3	Very high	96.6	Very high	101 Å²	101	70.6 Å²	70.6	38%	0.381	37%	0.373	S	S	.	.	H	α-helix	trans	-64.2	-50.2	172.9	-70.2	172	-132.2	-85.7	-6	111.1	F64 Q65 R66 E70 F71 D72 F153	F64-R68 WeakPolarHBondContact O-CG 3.26Å; F64-R68 PolarHBondContact O-N 3.4Å; F64-R68 VanDerWaalsContact O-N 3.12Å; F64-R68 PolarHBondContact O-NE 2.8Å; Q65-R68 WeakPolarHBondContact O-CB 3.47Å; Q65-R68 PolarHBondContact O-N 3.28Å; Q65-R68 VanDerWaalsContact O-N 3.08Å; R66-R68 VanDerWaalsContact C-N 3.31Å; R66-R68 PolarHBondContact O-N 3.49Å; R68-E70 VanDerWaalsContact C-N 3.33Å; R68-E70 PolarHBondContact O-N 2.84Å; R68-F71 WeakPolarHBondContact O-CB 3.18Å; R68-F71 PolarHBondContact O-N 2.97Å; R68-F71 VanDerWaalsContact O-N 3.11Å; R68-D72 PolarHBondContact O-N 2.91Å; R68-D72 VanDerWaalsContact O-N 3.1Å; R68-F153 HydrophobicContact CB-CD1 4.48Å; R68-F153 HydrophobicContact CB-CE1 4.22Å; R68-F153 HydrophobicContact CB-CZ 4.26Å; R68-F153 HydrophobicContact CG-CB 4.24Å; R68-F153 HydrophobicContact CG-CD1 3.64Å; R68-F153 HydrophobicContact CG-CD2 3.68Å; R68-F153 HydrophobicContact CG-CE1 3.77Å; R68-F153 HydrophobicContact CG-CE2 3.79Å; R68-F153 HydrophobicContact CG-CG 3.58Å; R68-F153 HydrophobicContact CG-CZ 3.82Å; R68-F153 VanDerWaalsContact NH1-CB 3.26Å
69	E	97.9	Very high	97	Very high	88 Å²	88	65.4 Å²	65.4	41%	0.411	34%	0.336	S	S	.	.	H	α-helix	trans	-61.5	-39.2	-177.5	-68.2	169.3	-166.8	0	0	113.1	Q65 R66 K73	Q65-E69 WeakPolarHBondContact CG-OE1 3.23Å; Q65-E69 PolarHBondContact NE2-OE1 2.74Å; Q65-E69 WeakPolarHBondContact O-CG 3.26Å; Q65-E69 PolarHBondContact O-N 3.16Å; Q65-E69 VanDerWaalsContact O-N 3.1Å; R66-E69 PolarHBondContact O-N 3.04Å; E69-K73 WeakPolarHBondContact O-CD 3.34Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å
70	E	97.9	Very high	97.3	Very high	48 Å²	48	62.8 Å²	62.8	22%	0.224	32%	0.317	C	S	.	.	H	α-helix	trans	-71.6	-38.9	174.2	-74.1	174.2	-171.1	0	0	111.5	R66 R68 D72 K73 I74 R77	R66-E70 WeakPolarHBondContact CD-OE1 3.5Å; R66-E70 HydrophobicContact CG-CG 4.27Å; R66-E70 WeakPolarHBondContact CG-OE1 3.45Å; R66-E70 IonicContact CZ-OE1 3.46Å; R66-E70 IonicContact NE-OE1 2.79Å; R66-E70 IonicContact NH1-OE1 3.61Å; R66-E70 PolarHBondContact NH1-OE1 3.09Å; R66-E70 IonicContact NH1-OE2 2.75Å; R66-E70 PolarHBondContact NH1-OE2 3.1Å; R66-E70 WeakPolarHBondContact O-CB 3.36Å; R66-E70 WeakPolarHBondContact O-CG 3.45Å; R66-E70 PolarHBondContact O-N 3.34Å; R68-E70 VanDerWaalsContact C-N 3.33Å; R68-E70 PolarHBondContact O-N 2.84Å; E70-D72 VanDerWaalsContact C-N 3.26Å; E70-D72 PolarHBondContact O-N 3.41Å; E70-K73 PolarHBondContact O-N 2.97Å; E70-I74 HydrophobicContact CB-CD1 4.47Å; E70-I74 HydrophobicContact CB-CG1 4.33Å; E70-I74 WeakPolarHBondContact O-CG1 3.4Å; E70-I74 PolarHBondContact O-N 2.84Å; E70-R77 IonicContact OE1-NH2 2.7Å; E70-R77 IonicContact OE2-CZ 3.98Å; E70-R77 VanDerWaalsContact OE2-CZ 3.23Å; E70-R77 IonicContact OE2-NE 2.87Å; E70-R77 PolarHBondContact OE2-NE 3.14Å; E70-R77 VanDerWaalsContact OE2-NE 3.09Å; E70-R77 IonicContact OE2-NH2 2.61Å; E70-R77 PolarHBondContact OE2-NH2 3.11Å
71	F	98.2	Very high	97.7	Very high	42 Å²	42	59.1 Å²	59.1	18%	0.184	29%	0.293	C	S	.	.	H	α-helix	trans	-60.1	-38.9	179.8	-173	-93.6	0	0	0	112.4	M67 R68 K73 G75 F153 K167 P168 K169	M67-F71 WeakPolarHBondContact O-CB 3.46Å; M67-F71 PolarHBondContact O-N 3.48Å; R68-F71 WeakPolarHBondContact O-CB 3.18Å; R68-F71 PolarHBondContact O-N 2.97Å; R68-F71 VanDerWaalsContact O-N 3.11Å; F71-K73 VanDerWaalsContact C-N 3.26Å; F71-K73 PolarHBondContact O-N 3.09Å; F71-G75 WeakPolarHBondContact CA-O 3.43Å; F71-G75 WeakPolarHBondContact CD2-O 3.32Å; F71-G75 VanDerWaalsContact O-CA 3.22Å; F71-G75 WeakPolarHBondContact O-CA 3.5Å; F71-G75 PolarHBondContact O-N 2.87Å; F71-F153 HydrophobicContact CB-CE1 3.87Å; F71-F153 HydrophobicContact CB-CZ 3.82Å; F71-F153 AromaticContact CD1-CZ 3.94Å; F71-F153 HydrophobicContact CD1-CZ 3.94Å; F71-F153 HydrophobicContact CG-CE1 4.21Å; F71-F153 AromaticContact CG-CZ 3.87Å; F71-F153 HydrophobicContact CG-CZ 3.87Å; F71-K167 HydrophobicContact CZ-CB 4.31Å; F71-P168 WeakPolarHBondContact CE2-O 3.35Å; F71-K169 HydrophobicContact CD1-CD 4.35Å; F71-K169 HydrophobicContact CD2-CD 3.88Å; F71-K169 HydrophobicContact CE1-CD 4.18Å; F71-K169 HydrophobicContact CE2-CD 3.71Å; F71-K169 HydrophobicContact CG-CD 4.21Å; F71-K169 HydrophobicContact CZ-CD 3.86Å
72	D	97.8	Very high	98	Very high	134 Å²	134	55.5 Å²	55.5	72%	0.717	26%	0.264	S	S	*	.	H	α-helix	trans	-68.2	-25.4	177.2	-66.2	-23.4	0	0	0	112.9	R68 E70	R68-D72 PolarHBondContact O-N 2.91Å; R68-D72 VanDerWaalsContact O-N 3.1Å; E70-D72 VanDerWaalsContact C-N 3.26Å; E70-D72 PolarHBondContact O-N 3.41Å
73	K	97.6	Very high	98.1	Very high	168 Å²	168	54 Å²	54	73%	0.73	25%	0.251	S	S	*	.	H	α-helix	trans	-95.5	-44.4	-175.8	-67.3	172.4	-174.4	170.8	0	113.5	E69 E70 F71	E69-K73 WeakPolarHBondContact O-CD 3.34Å; E69-K73 WeakPolarHBondContact O-CG 3.36Å; E70-K73 PolarHBondContact O-N 2.97Å; F71-K73 VanDerWaalsContact C-N 3.26Å; F71-K73 PolarHBondContact O-N 3.09Å
74	I	96.8	Very high	98.2	Very high	99 Å²	99	49.8 Å²	49.8	51%	0.508	24%	0.235	S	C	.	.	H	α-helix	trans	-126.3	0.2	-169.9	61.4	166.1	0	0	0	113.3	E70 P113	E70-I74 HydrophobicContact CB-CD1 4.47Å; E70-I74 HydrophobicContact CB-CG1 4.33Å; E70-I74 WeakPolarHBondContact O-CG1 3.4Å; E70-I74 PolarHBondContact O-N 2.84Å; I74-P113 HydrophobicContact CD1-CG 4.18Å; I74-P113 HydrophobicContact CG2-CG 4.25Å
75	G	98	Very high	98.3	Very high	28 Å²	28	49.3 Å²	49.3	29%	0.289	23%	0.233	S	C	.	.			trans	79.1	-148.5	179.3	0	0	0	0	0	113.5	F71 R77	F71-G75 WeakPolarHBondContact CA-O 3.43Å; F71-G75 WeakPolarHBondContact CD2-O 3.32Å; F71-G75 VanDerWaalsContact O-CA 3.22Å; F71-G75 WeakPolarHBondContact O-CA 3.5Å; F71-G75 PolarHBondContact O-N 2.87Å; G75-R77 PolarHBondContact O-N 3.15Å
76	M	98.4	Very high	98.3	Very high	69 Å²	69	44.8 Å²	44.8	34%	0.34	21%	0.212	S	C	.	.	S	Bend	trans	-59.2	126.1	-174.4	-178.4	179.4	68	0	0	112	R78 P168 H171	M76-R78 PolarHBondContact O-N 3.36Å; M76-P168 WeakPolarHBondContact CG-O 3.1Å; M76-P168 HydrophobicContact SD-CB 4.29Å; M76-P168 HydrophobicContact SD-CG 3.67Å; M76-H171 HydrophobicContact CE-CB 3.5Å; M76-H171 VanDerWaalsContact CE-CB 3.5Å; M76-H171 HydrophobicContact CG-CB 4.36Å; M76-H171 HydrophobicContact SD-CB 3.54Å; M76-H171 VanDerWaalsContact SD-CB 3.54Å
77	R	98.6	Very high	98.4	Very high	12 Å²	12	43.6 Å²	43.6	5%	0.045	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	134.2	172.6	-179.4	174.8	-70.9	178	9.3	109.9	R66 M67 E70 G75 E110 K169 E170 H171	R66-R77 VanDerWaalsContact NH1-NH2 3.12Å; M67-R77 VanDerWaalsContact CA-NH2 3.34Å; E70-R77 IonicContact OE1-NH2 2.7Å; E70-R77 IonicContact OE2-CZ 3.98Å; E70-R77 VanDerWaalsContact OE2-CZ 3.23Å; E70-R77 IonicContact OE2-NE 2.87Å; E70-R77 PolarHBondContact OE2-NE 3.14Å; E70-R77 VanDerWaalsContact OE2-NE 3.09Å; E70-R77 IonicContact OE2-NH2 2.61Å; E70-R77 PolarHBondContact OE2-NH2 3.11Å; G75-R77 PolarHBondContact O-N 3.15Å; R77-E110 HydrophobicContact CG-CG 4.46Å; R77-E110 IonicContact CZ-OE1 2.66Å; R77-E110 IonicContact NE-OE1 2.81Å; R77-E110 PolarHBondContact NE-OE1 3.17Å; R77-E110 IonicContact NH1-OE1 3.71Å; R77-E110 PolarHBondContact NH1-OE1 3.17Å; R77-E110 IonicContact NH2-OE1 3.44Å; R77-K169 PolarHBondContact N-O 3.34Å; R77-E170 HydrophobicContact CB-CB 4.34Å; R77-E170 HydrophobicContact CB-CG 4.22Å; R77-E170 HydrophobicContact CG-CG 4.27Å; R77-E170 CarbonylContact O-C 3.5Å; R77-E170 VanDerWaalsContact O-CA 3.3Å; R77-E170 WeakPolarHBondContact O-CA 3.33Å; R77-H171 PolarHBondContact O-N 2.7Å
78	R	98.7	Very high	98.4	Very high	71 Å²	71	47.4 Å²	47.4	27%	0.268	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	123.9	174.6	-59.3	-172.5	-59.7	149.6	5.5	109.8	M76 L111 N112 E115 H171	M76-R78 PolarHBondContact O-N 3.36Å; R78-L111 HydrophobicContact CB-CB 4.25Å; R78-L111 HydrophobicContact CB-CD1 4.02Å; R78-L111 HydrophobicContact CB-CG 4.44Å; R78-L111 PolarHBondContact O-N 2.72Å; R78-N112 PolarHBondContact NH2-O 2.97Å; R78-E115 PolarHBondContact NH1-O 3.37Å; R78-E115 VanDerWaalsContact NH1-O 3.07Å; R78-E115 PolarHBondContact NH2-O 2.86Å; R78-H171 WeakPolarHBondContact CA-O 3.38Å
79	T	98.8	Very high	98.3	Very high	9 Å²	9	50.1 Å²	50.1	6%	0.055	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.4	-178.6	-54.4	0	0	0	0	109.3	G109 E170 H171 K172 K173	T79-G109 WeakPolarHBondContact CA-O 3.29Å; T79-G109 WeakPolarHBondContact CG2-O 3.2Å; T79-E170 PolarHBondContact OG1-OE1 2.87Å; T79-H171 PolarHBondContact N-O 2.73Å; T79-K172 HydrophobicContact CG2-CG 4.32Å; T79-K172 CarbonylContact O-C 3.6Å; T79-K172 VanDerWaalsContact O-CA 3.28Å; T79-K172 WeakPolarHBondContact O-CA 3.14Å; T79-K173 PolarHBondContact O-N 3Å
80	V	98.9	Very high	98.3	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	137.7	175.2	-65	0	0	0	0	110.2	G108 G109 L111 E117 L121 L124 K173 F175	V80-G108 CarbonylContact O-C 3.53Å; V80-G108 WeakPolarHBondContact O-CA 3.28Å; V80-G109 PolarHBondContact N-O 2.86Å; V80-G109 PolarHBondContact O-N 3.13Å; V80-L111 HydrophobicContact CG1-CD1 3.82Å; V80-L111 HydrophobicContact CG1-CD2 4.11Å; V80-L111 HydrophobicContact CG1-CG 4.03Å; V80-L111 HydrophobicContact CG2-CD2 3.64Å; V80-L111 HydrophobicContact CG2-CG 4.16Å; V80-E117 HydrophobicContact CG1-CB 4.15Å; V80-L121 HydrophobicContact CB-CB 4.2Å; V80-L121 HydrophobicContact CB-CD1 4.33Å; V80-L121 HydrophobicContact CG2-CB 3.76Å; V80-L121 HydrophobicContact CG2-CD1 3.99Å; V80-L121 HydrophobicContact CG2-CG 4.42Å; V80-L124 HydrophobicContact CG2-CD1 3.65Å; V80-K173 CarbonylContact C-O 3.53Å; V80-K173 WeakPolarHBondContact CA-O 3.31Å; V80-K173 HydrophobicContact CG1-CB 4.46Å; V80-F175 HydrophobicContact CB-CE2 4.33Å; V80-F175 HydrophobicContact CG1-CE2 3.97Å
81	E	98.8	Very high	98.4	Very high	24 Å²	24	55.1 Å²	55.1	11%	0.112	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	179.3	-70	-177.2	166.4	0	0	110.7	L106 K172 K173 L174 F175	E81-L106 HydrophobicContact CB-CB 3.94Å; E81-L106 HydrophobicContact CB-CD1 4.1Å; E81-L106 HydrophobicContact CG-CB 4.25Å; E81-K172 VanDerWaalsContact CD-NZ 3.27Å; E81-K172 HydrophobicContact CG-CD 4.47Å; E81-K172 WeakPolarHBondContact OE1-CE 3.4Å; E81-K172 IonicContact OE1-NZ 3.29Å; E81-K172 PolarHBondContact OE1-NZ 2.86Å; E81-K172 WeakPolarHBondContact OE2-CD 3.39Å; E81-K172 IonicContact OE2-NZ 3.36Å; E81-K172 PolarHBondContact OE2-NZ 2.85Å; E81-K173 PolarHBondContact N-O 2.92Å; E81-L174 HydrophobicContact CB-CD1 4.43Å; E81-L174 HydrophobicContact CB-CG 4.31Å; E81-L174 WeakPolarHBondContact O-CA 3.43Å; E81-F175 PolarHBondContact O-N 3.06Å
82	G	98.8	Very high	98.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	130.1	178.9	0	0	0	0	0	111.8	P107	G82-P107 PolarHBondContact N-O 2.88Å; G82-P107 WeakPolarHBondContact O-CD 3.33Å
83	V	98.9	Very high	98.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	108.4	171.7	178.7	0	0	0	0	108.3	I85 V94 L106 I145 L174 F175 V177 L215 L219	V83-I85 HydrophobicContact CG1-CD1 4.4Å; V83-I85 HydrophobicContact CG1-CG1 4.04Å; V83-V94 HydrophobicContact CG1-CG1 4.06Å; V83-V94 HydrophobicContact CG1-CG2 4.3Å; V83-L106 HydrophobicContact CG2-CD1 3.88Å; V83-L106 HydrophobicContact CG2-CD2 3.97Å; V83-I145 HydrophobicContact CB-CD1 3.9Å; V83-I145 HydrophobicContact CG1-CD1 4.41Å; V83-I145 HydrophobicContact CG2-CD1 3.51Å; V83-L174 HydrophobicContact CG2-CD2 4.48Å; V83-F175 PolarHBondContact N-O 2.87Å; V83-V177 PolarHBondContact O-N 2.86Å; V83-L215 HydrophobicContact CG1-CD1 4.49Å; V83-L215 HydrophobicContact CG2-CD1 4.31Å; V83-L215 HydrophobicContact CG2-CD2 3.84Å; V83-L219 HydrophobicContact CG1-CD1 4.34Å; V83-L219 HydrophobicContact CG1-CD2 4.46Å
84	L	98.8	Very high	98.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	136.9	173.4	-45.9	94.8	0	0	0	109.2	V94 L95 P107 M125 L129 W139 V177 L179 F185	L84-V94 WeakPolarHBondContact O-CA 3.16Å; L84-L95 HydrophobicContact CB-CB 4.26Å; L84-L95 HydrophobicContact CB-CD1 4.04Å; L84-L95 HydrophobicContact CB-CG 4.26Å; L84-L95 PolarHBondContact O-N 2.88Å; L84-P107 HydrophobicContact CD1-CG 3.37Å; L84-M125 HydrophobicContact CD1-CE 3.65Å; L84-M125 HydrophobicContact CD2-CE 3.57Å; L84-M125 HydrophobicContact CG-CE 3.84Å; L84-L129 HydrophobicContact CD1-CD1 4.45Å; L84-W139 HydrophobicContact CD2-CZ3 3.82Å; L84-V177 HydrophobicContact CD2-CG1 4.48Å; L84-V177 HydrophobicContact CG-CB 4.25Å; L84-L179 HydrophobicContact CB-CD1 4.14Å; L84-L179 HydrophobicContact CB-CG 4.36Å; L84-L179 HydrophobicContact CD2-CD1 4.38Å; L84-L179 HydrophobicContact CD2-CD2 3.53Å; L84-L179 HydrophobicContact CD2-CG 4.16Å; L84-F185 HydrophobicContact CD2-CE1 4.37Å; L84-F185 HydrophobicContact CD2-CZ 4.39Å
85	I	98.8	Very high	98.6	Very high	7 Å²	7	35.5 Å²	35.5	4%	0.036	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	131.5	-174.4	-48.8	170.6	0	0	0	108.6	L39 V83 P92 H93 L176 L219 F224	L39-I85 HydrophobicContact CD1-CG2 3.77Å; L39-I85 HydrophobicContact CD2-CB 3.67Å; L39-I85 HydrophobicContact CD2-CG2 3.57Å; L39-I85 HydrophobicContact CG-CG2 4.33Å; V83-I85 HydrophobicContact CG1-CD1 4.4Å; V83-I85 HydrophobicContact CG1-CG1 4.04Å; I85-P92 HydrophobicContact CG2-CB 3.93Å; I85-H93 WeakPolarHBondContact CA-O 3.28Å; I85-L176 HydrophobicContact CD1-CD1 3.78Å; I85-L176 HydrophobicContact CD1-CG 4.33Å; I85-L219 HydrophobicContact CD1-CD1 3.77Å; I85-L219 HydrophobicContact CD1-CD2 3.6Å; I85-L219 HydrophobicContact CD1-CG 4.27Å; I85-L219 HydrophobicContact CG1-CD1 4.39Å; I85-F224 HydrophobicContact CD1-CE1 3.84Å; I85-F224 HydrophobicContact CD1-CZ 3.75Å
86	V	98.8	Very high	98.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	176.1	170	-57.4	0	0	0	0	108.2	L42 Y45 P92 H93 L95 L179 A195	L42-V86 HydrophobicContact CB-CG2 4.16Å; L42-V86 HydrophobicContact CD1-CG2 4Å; Y45-V86 HydrophobicContact CD2-CB 4.36Å; Y45-V86 HydrophobicContact CD2-CG1 3.55Å; Y45-V86 HydrophobicContact CE2-CB 4.09Å; Y45-V86 HydrophobicContact CE2-CG1 3.34Å; Y45-V86 HydrophobicContact CG-CG1 4.45Å; V86-P92 WeakPolarHBondContact O-CA 3.39Å; V86-H93 HydrophobicContact CG2-CB 3.99Å; V86-H93 PolarHBondContact N-O 3.02Å; V86-H93 PolarHBondContact O-N 2.94Å; V86-L95 HydrophobicContact CG1-CD1 4.17Å; V86-L95 HydrophobicContact CG1-CD2 4.23Å; V86-L95 HydrophobicContact CG1-CG 4.28Å; V86-L95 HydrophobicContact CG2-CD2 3.94Å; V86-L179 HydrophobicContact CG1-CD1 3.81Å; V86-A195 HydrophobicContact CG2-CB 4.35Å
87	H	98.8	Very high	98.6	Very high	13 Å²	13	31.2 Å²	31.2	6%	0.06	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.6	167.9	78.7	92.3	0	0	0	112.7	L39 Y40 P41 L42 L91 Y226 N227	L39-H87 HydrophobicContact CB-CB 4.36Å; L39-H87 HydrophobicContact CD1-CB 4.46Å; Y40-H87 PolarHBondContact O-CD2 3.11Å; Y40-H87 PolarHBondContact O-N 3.13Å; P41-H87 CarbonylContact C-O 3.44Å; P41-H87 VanDerWaalsContact CA-O 3.26Å; P41-H87 WeakPolarHBondContact CA-O 3.45Å; L42-H87 PolarHBondContact N-O 3.12Å; H87-L91 VanDerWaalsContact CA-O 3.26Å; H87-L91 WeakPolarHBondContact CA-O 3.25Å; H87-L91 WeakPolarHBondContact CB-O 3.46Å; H87-Y226 HydrophobicContact CB-CD1 3.59Å; H87-Y226 HydrophobicContact CB-CE1 4.01Å; H87-Y226 AromaticContact CG-CD1 3.66Å; H87-N227 PolarHBondContact CE1-O 3.12Å; H87-N227 PolarHBondContact NE2-O 3.36Å
88	E	98.1	Very high	98.5	Very high	81 Å²	81	32.4 Å²	32.4	38%	0.379	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	131.6	165.9	-168.5	179.2	-176.6	0	0	106.4	R90 L91	E88-R90 PolarHBondContact O-N 2.85Å; E88-R90 VanDerWaalsContact O-N 3.16Å; E88-L91 PolarHBondContact N-O 3.2Å; E88-L91 VanDerWaalsContact N-O 3.16Å; E88-L91 WeakPolarHBondContact O-CB 3.31Å; E88-L91 PolarHBondContact O-N 2.87Å
89	H	97.9	Very high	98.1	Very high	159 Å²	159	31.2 Å²	31.2	74%	0.736	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.2	-174.4	-52.7	115.2	0	0	0	114.3	L91	H89-L91 PolarHBondContact O-N 3.08Å
90	R	97.9	Very high	97.7	Very high	157 Å²	157	33.8 Å²	33.8	59%	0.592	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	26.7	-175.7	-50.6	-176	71.1	90.6	-1	114	E88 Y226	E88-R90 PolarHBondContact O-N 2.85Å; E88-R90 VanDerWaalsContact O-N 3.16Å; R90-Y226 VanDerWaalsContact C-CE1 3.47Å; R90-Y226 HydrophobicContact CB-CD1 4.07Å; R90-Y226 HydrophobicContact CB-CD2 4.42Å; R90-Y226 HydrophobicContact CB-CE1 4.48Å; R90-Y226 HydrophobicContact CB-CG 4.03Å; R90-Y226 HydrophobicContact CG-CG 4.38Å; R90-Y226 PolarHBondContact NH1-O 2.79Å; R90-Y226 WeakPolarHBondContact O-CE1 3.45Å
91	L	98.4	Very high	97.2	Very high	84 Å²	84	39.3 Å²	39.3	44%	0.44	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.9	170.9	-61.3	173.3	0	0	0	108.8	H87 E88 H89 H93 F199	H87-L91 VanDerWaalsContact CA-O 3.26Å; H87-L91 WeakPolarHBondContact CA-O 3.25Å; H87-L91 WeakPolarHBondContact CB-O 3.46Å; E88-L91 PolarHBondContact N-O 3.2Å; E88-L91 VanDerWaalsContact N-O 3.16Å; E88-L91 WeakPolarHBondContact O-CB 3.31Å; E88-L91 PolarHBondContact O-N 2.87Å; H89-L91 PolarHBondContact O-N 3.08Å; L91-H93 PolarHBondContact O-CE1 3.12Å; L91-H93 PolarHBondContact O-N 3.16Å; L91-H93 PolarHBondContact O-ND1 2.95Å; L91-F199 HydrophobicContact CD1-CE1 4.34Å
92	P	98.8	Very high	96.7	Very high	14 Å²	14	43.5 Å²	43.5	9%	0.091	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	135.1	176.2	-17.6	30.1	0	0	0	111	L39 I85 V86 L198 F224 Y226	L39-P92 HydrophobicContact CD1-CB 4.09Å; L39-P92 HydrophobicContact CD1-CG 4.24Å; I85-P92 HydrophobicContact CG2-CB 3.93Å; V86-P92 WeakPolarHBondContact O-CA 3.39Å; P92-L198 HydrophobicContact CB-CD1 3.88Å; P92-L198 HydrophobicContact CB-CG 4.09Å; P92-L198 HydrophobicContact CG-CD1 4.04Å; P92-L198 PolarHBondContact O-N 3.3Å; P92-F224 HydrophobicContact CG-CD2 4Å; P92-F224 HydrophobicContact CG-CE2 4.28Å; P92-Y226 WeakPolarHBondContact CD-OH 3.37Å; P92-Y226 HydrophobicContact CG-CE1 3.89Å; P92-Y226 WeakPolarHBondContact CG-OH 3.46Å
93	H	98.9	Very high	96.4	Very high	16 Å²	16	48.3 Å²	48.3	7%	0.074	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	134.2	173.6	-66.4	65.7	0	0	0	109.3	I85 V86 L91 A195 A196 P197	I85-H93 WeakPolarHBondContact CA-O 3.28Å; V86-H93 HydrophobicContact CG2-CB 3.99Å; V86-H93 PolarHBondContact N-O 3.02Å; V86-H93 PolarHBondContact O-N 2.94Å; L91-H93 PolarHBondContact O-CE1 3.12Å; L91-H93 PolarHBondContact O-N 3.16Å; L91-H93 PolarHBondContact O-ND1 2.95Å; H93-A195 HydrophobicContact CB-CB 3.9Å; H93-A196 CarbonylContact C-O 3.53Å; H93-A196 VanDerWaalsContact CA-O 3.28Å; H93-A196 WeakPolarHBondContact CA-O 3.5Å; H93-P197 VanDerWaalsContact CD2-N 3.33Å; H93-P197 WeakPolarHBondContact NE2-CB 3.45Å
94	V	98.8	Very high	96.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	132.5	174	177.4	0	0	0	0	109	V83 L84 L96 L106 A196 L198 L201 L215 L219	V83-V94 HydrophobicContact CG1-CG1 4.06Å; V83-V94 HydrophobicContact CG1-CG2 4.3Å; L84-V94 WeakPolarHBondContact O-CA 3.16Å; V94-L96 HydrophobicContact CG1-CD2 3.89Å; V94-L96 HydrophobicContact CG1-CG 4.33Å; V94-L106 HydrophobicContact CG1-CD2 4.14Å; V94-A196 PolarHBondContact N-O 2.86Å; V94-A196 PolarHBondContact O-N 3.24Å; V94-L198 HydrophobicContact CG2-CD2 3.89Å; V94-L201 HydrophobicContact CB-CD1 4.08Å; V94-L201 HydrophobicContact CG2-CD1 4.06Å; V94-L215 HydrophobicContact CG1-CD1 3.95Å; V94-L215 HydrophobicContact CG2-CD1 4.26Å; V94-L219 HydrophobicContact CG2-CD1 3.98Å
95	L	98.6	Very high	96.3	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122.9	173.9	-58	-174.8	0	0	0	110.6	L84 V86 L179 F185 L193 V194 A195	L84-L95 HydrophobicContact CB-CB 4.26Å; L84-L95 HydrophobicContact CB-CD1 4.04Å; L84-L95 HydrophobicContact CB-CG 4.26Å; L84-L95 PolarHBondContact O-N 2.88Å; V86-L95 HydrophobicContact CG1-CD1 4.17Å; V86-L95 HydrophobicContact CG1-CD2 4.23Å; V86-L95 HydrophobicContact CG1-CG 4.28Å; V86-L95 HydrophobicContact CG2-CD2 3.94Å; L95-L179 HydrophobicContact CD1-CD1 4.34Å; L95-F185 HydrophobicContact CD1-CE2 4.06Å; L95-F185 HydrophobicContact CD1-CZ 4.38Å; L95-L193 HydrophobicContact CB-CD1 4.01Å; L95-V194 CarbonylContact C-O 3.59Å; L95-V194 WeakPolarHBondContact CA-O 3.47Å; L95-A195 HydrophobicContact CD2-CB 3.86Å
96	L	98.6	Very high	96.3	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	144.3	-179.1	-60.4	178.5	0	0	0	111.5	V94 F104 L106 L193 V194 A196 L201 Y208 I212	V94-L96 HydrophobicContact CG1-CD2 3.89Å; V94-L96 HydrophobicContact CG1-CG 4.33Å; L96-F104 HydrophobicContact CB-CD1 4.38Å; L96-F104 HydrophobicContact CD1-CB 4.36Å; L96-F104 HydrophobicContact CD1-CD1 4.37Å; L96-L106 HydrophobicContact CD2-CD2 3.66Å; L96-L106 HydrophobicContact CD2-CG 4.33Å; L96-L193 WeakPolarHBondContact O-CA 3.41Å; L96-L193 WeakPolarHBondContact O-CD1 3.5Å; L96-V194 HydrophobicContact CB-CG2 3.95Å; L96-V194 PolarHBondContact N-O 2.58Å; L96-V194 PolarHBondContact O-N 3.23Å; L96-A196 HydrophobicContact CD1-CB 3.83Å; L96-A196 HydrophobicContact CG-CB 4.45Å; L96-L201 HydrophobicContact CD1-CD2 4.06Å; L96-Y208 HydrophobicContact CD1-CD1 3.91Å; L96-Y208 HydrophobicContact CD1-CE1 3.73Å; L96-I212 HydrophobicContact CD1-CG2 3.93Å; L96-I212 HydrophobicContact CD2-CD1 4.13Å; L96-I212 HydrophobicContact CD2-CG1 4.48Å; L96-I212 HydrophobicContact CD2-CG2 4.1Å
97	L	97.9	Very high	96.2	Very high	6 Å²	6	52.2 Å²	52.2	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.4	169.9	-63.5	165	0	0	0	108.9	F104 K105 P107 I128 L129 Y191 L193	L97-F104 CarbonylContact O-C 3.56Å; L97-F104 WeakPolarHBondContact O-CA 3.35Å; L97-K105 HydrophobicContact CB-CB 4.36Å; L97-K105 PolarHBondContact N-O 2.94Å; L97-K105 PolarHBondContact O-N 3.05Å; L97-P107 HydrophobicContact CD1-CB 4.02Å; L97-I128 HydrophobicContact CD1-CG2 3.69Å; L97-I128 HydrophobicContact CD2-CG2 4.37Å; L97-L129 HydrophobicContact CD2-CD2 4.23Å; L97-Y191 HydrophobicContact CB-CD1 3.76Å; L97-Y191 HydrophobicContact CB-CE1 4.16Å; L97-Y191 HydrophobicContact CD2-CG 4.49Å; L97-L193 HydrophobicContact CD2-CD1 4.1Å
98	Q	96.4	Very high	96.2	Very high	37 Å²	37	52.4 Å²	52.4	17%	0.173	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	129.3	174	-174.5	-178.9	21	0	0	109.8	G100 T101 F103 F104 Y191 K192 V194	Q98-G100 WeakPolarHBondContact CG-O 3.46Å; Q98-G100 PolarHBondContact NE2-O 3.29Å; Q98-T101 PolarHBondContact NE2-O 2.91Å; Q98-T101 VanDerWaalsContact NE2-O 3.11Å; Q98-F103 WeakPolarHBondContact CA-O 3.46Å; Q98-F104 HydrophobicContact CB-CD1 3.92Å; Q98-F104 HydrophobicContact CB-CE1 3.78Å; Q98-F104 HydrophobicContact CG-CD1 4.07Å; Q98-F104 HydrophobicContact CG-CE1 3.59Å; Q98-F104 HydrophobicContact CG-CZ 4.08Å; Q98-Y191 WeakPolarHBondContact O-CA 3.42Å; Q98-K192 HydrophobicContact CB-CB 4.32Å; Q98-K192 PolarHBondContact N-O 3.41Å; Q98-K192 PolarHBondContact O-N 2.87Å; Q98-V194 HydrophobicContact CB-CG1 4.31Å; Q98-V194 HydrophobicContact CB-CG2 4.45Å
99	L	91.7	Very high	96.2	Very high	46 Å²	46	49.4 Å²	49.4	24%	0.241	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	115	174.4	-152.5	66.8	0	0	0	108.4	F103 N190 Y191	L99-F103 HydrophobicContact CB-CD1 3.84Å; L99-F103 HydrophobicContact CD2-CD1 4.28Å; L99-F103 HydrophobicContact CD2-CE1 4.45Å; L99-F103 PolarHBondContact N-O 2.85Å; L99-F103 WeakPolarHBondContact O-CB 3.46Å; L99-N190 WeakPolarHBondContact CD1-O 3.45Å; L99-Y191 HydrophobicContact CB-CD1 4.1Å; L99-Y191 HydrophobicContact CB-CE1 3.82Å; L99-Y191 HydrophobicContact CD1-CD1 3.38Å; L99-Y191 HydrophobicContact CD1-CD2 3.99Å; L99-Y191 HydrophobicContact CD1-CE1 3.26Å; L99-Y191 HydrophobicContact CD1-CE2 3.89Å; L99-Y191 HydrophobicContact CD1-CG 3.76Å; L99-Y191 HydrophobicContact CD2-CE1 3.96Å; L99-Y191 HydrophobicContact CG-CD1 4.25Å; L99-Y191 HydrophobicContact CG-CE1 3.85Å
100	G	89.6	Confident	96.2	Very high	64 Å²	64	43.7 Å²	43.7	66%	0.66	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	-143.2	-170	0	0	0	0	0	112.1	Q98	Q98-G100 WeakPolarHBondContact CG-O 3.46Å; Q98-G100 PolarHBondContact NE2-O 3.29Å
101	T	87.4	Confident	96.2	Very high	116 Å²	116	37 Å²	37	71%	0.712	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-43.6	-173.3	49.2	0	0	0	0	113.7	Q98	Q98-T101 PolarHBondContact NE2-O 2.91Å; Q98-T101 VanDerWaalsContact NE2-O 3.11Å
102	T	89.1	Confident	96.2	Very high	112 Å²	112	37.1 Å²	37.1	69%	0.687	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-118.8	7	-167.5	55.9	0	0	0	0	114.6
103	F	92.9	Very high	96.1	Very high	102 Å²	102	41 Å²	41	45%	0.447	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.3	-176.5	-169.3	-103.8	0	0	0	111	Q98 L99 K105	Q98-F103 WeakPolarHBondContact CA-O 3.46Å; L99-F103 HydrophobicContact CB-CD1 3.84Å; L99-F103 HydrophobicContact CD2-CD1 4.28Å; L99-F103 HydrophobicContact CD2-CE1 4.45Å; L99-F103 PolarHBondContact N-O 2.85Å; L99-F103 WeakPolarHBondContact O-CB 3.46Å; F103-K105 HydrophobicContact CD1-CD 4.45Å; F103-K105 HydrophobicContact CD1-CG 4.43Å; F103-K105 HydrophobicContact CE1-CD 3.63Å; F103-K105 HydrophobicContact CE1-CG 3.83Å; F103-K105 HydrophobicContact CZ-CD 4.25Å; F103-K105 HydrophobicContact CZ-CG 4.28Å
104	F	97.3	Very high	95.9	Very high	37 Å²	37	44 Å²	44	16%	0.162	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.1	-177.6	-61.3	-86.9	0	0	0	110.8	L96 L97 Q98 V194 Y208 I212	L96-F104 HydrophobicContact CB-CD1 4.38Å; L96-F104 HydrophobicContact CD1-CB 4.36Å; L96-F104 HydrophobicContact CD1-CD1 4.37Å; L97-F104 CarbonylContact O-C 3.56Å; L97-F104 WeakPolarHBondContact O-CA 3.35Å; Q98-F104 HydrophobicContact CB-CD1 3.92Å; Q98-F104 HydrophobicContact CB-CE1 3.78Å; Q98-F104 HydrophobicContact CG-CD1 4.07Å; Q98-F104 HydrophobicContact CG-CE1 3.59Å; Q98-F104 HydrophobicContact CG-CZ 4.08Å; F104-V194 HydrophobicContact CD1-CG2 4.27Å; F104-V194 HydrophobicContact CE1-CG2 4.08Å; F104-Y208 HydrophobicContact CB-CD1 4.08Å; F104-Y208 HydrophobicContact CB-CE1 4.32Å; F104-Y208 HydrophobicContact CD1-CE1 4.01Å; F104-Y208 AromaticContact CD2-CD1 3.85Å; F104-Y208 HydrophobicContact CD2-CD1 3.85Å; F104-Y208 AromaticContact CD2-CE1 3.68Å; F104-Y208 HydrophobicContact CD2-CE1 3.68Å; F104-Y208 HydrophobicContact CE1-CE1 4.21Å; F104-Y208 HydrophobicContact CE2-CD1 4.45Å; F104-Y208 AromaticContact CE2-CE1 3.91Å; F104-Y208 HydrophobicContact CE2-CE1 3.91Å; F104-Y208 AromaticContact CG-CD1 3.93Å; F104-Y208 HydrophobicContact CG-CD1 3.93Å; F104-Y208 AromaticContact CG-CE1 3.73Å; F104-Y208 HydrophobicContact CG-CE1 3.73Å; F104-Y208 HydrophobicContact CZ-CE1 4.17Å; F104-I212 HydrophobicContact CB-CD1 4.24Å
105	K	97.1	Very high	95.9	Very high	45 Å²	45	45.9 Å²	45.9	20%	0.196	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.5	178.9	-78.4	175.2	158.2	168.4	0	111.4	E55 L97 F103	E55-K105 IonicContact OE1-NZ 2.67Å; E55-K105 PolarHBondContact OE1-NZ 2.95Å; E55-K105 IonicContact OE2-NZ 3.29Å; E55-K105 PolarHBondContact OE2-NZ 2.8Å; L97-K105 HydrophobicContact CB-CB 4.36Å; L97-K105 PolarHBondContact N-O 2.94Å; L97-K105 PolarHBondContact O-N 3.05Å; F103-K105 HydrophobicContact CD1-CD 4.45Å; F103-K105 HydrophobicContact CD1-CG 4.43Å; F103-K105 HydrophobicContact CE1-CD 3.63Å; F103-K105 HydrophobicContact CE1-CG 3.83Å; F103-K105 HydrophobicContact CZ-CD 4.25Å; F103-K105 HydrophobicContact CZ-CG 4.28Å
106	L	98.5	Very high	95.9	Very high	7 Å²	7	50 Å²	50	4%	0.037	31%	0.311	C	S	.	.			trans	-79.9	145.3	160.5	-69.6	169.9	0	0	0	109.4	E81 V83 V94 L96 G108 L174 I212 L215	E81-L106 HydrophobicContact CB-CB 3.94Å; E81-L106 HydrophobicContact CB-CD1 4.1Å; E81-L106 HydrophobicContact CG-CB 4.25Å; V83-L106 HydrophobicContact CG2-CD1 3.88Å; V83-L106 HydrophobicContact CG2-CD2 3.97Å; V94-L106 HydrophobicContact CG1-CD2 4.14Å; L96-L106 HydrophobicContact CD2-CD2 3.66Å; L96-L106 HydrophobicContact CD2-CG 4.33Å; L106-G108 PolarHBondContact O-N 3.46Å; L106-L174 HydrophobicContact CD1-CD2 4.07Å; L106-L174 HydrophobicContact CD1-CG 4.32Å; L106-I212 HydrophobicContact CG-CG1 4.32Å; L106-L215 HydrophobicContact CD1-CD1 4.49Å; L106-L215 HydrophobicContact CD2-CD1 4.27Å
107	P	98	Very high	95.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-64.8	131.7	169.6	27.7	-32.5	0	0	0	109.8	G82 L84 L97 M125 I128 L129	G82-P107 PolarHBondContact N-O 2.88Å; G82-P107 WeakPolarHBondContact O-CD 3.33Å; L84-P107 HydrophobicContact CD1-CG 3.37Å; L97-P107 HydrophobicContact CD1-CB 4.02Å; P107-M125 HydrophobicContact CB-SD 3.65Å; P107-M125 HydrophobicContact CG-CE 4.21Å; P107-M125 HydrophobicContact CG-SD 3.7Å; P107-I128 HydrophobicContact CB-CD1 4.35Å; P107-I128 HydrophobicContact CB-CG2 4.39Å; P107-L129 HydrophobicContact CB-CD1 4.19Å; P107-L129 HydrophobicContact CG-CD1 4.26Å
108	G	98.1	Very high	95.9	Very high	17 Å²	17	53.8 Å²	53.8	18%	0.175	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-166.9	-171.4	0	0	0	0	0	111.3	V80 L106 I128	V80-G108 CarbonylContact O-C 3.53Å; V80-G108 WeakPolarHBondContact O-CA 3.28Å; L106-G108 PolarHBondContact O-N 3.46Å; G108-I128 VanDerWaalsContact N-CD1 3.33Å; G108-I128 VanDerWaalsContact O-CD1 3.31Å; G108-I128 WeakPolarHBondContact O-CD1 3.47Å
109	G	98.1	Very high	96	Very high	18 Å²	18	56.9 Å²	56.9	19%	0.186	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-163	-176.5	0	0	0	0	0	113.9	T79 V80	T79-G109 WeakPolarHBondContact CA-O 3.29Å; T79-G109 WeakPolarHBondContact CG2-O 3.2Å; V80-G109 PolarHBondContact N-O 2.86Å; V80-G109 PolarHBondContact O-N 3.13Å
110	E	98.3	Very high	96.3	Very high	38 Å²	38	54.7 Å²	54.7	18%	0.178	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	134.9	-174	-62.1	169.7	171.8	0	0	110.7	K56 R66 R77 R123	K56-E110 IonicContact NZ-OE2 3.63Å; K56-E110 PolarHBondContact NZ-OE2 2.85Å; R66-E110 IonicContact CZ-OE1 3.58Å; R66-E110 IonicContact CZ-OE2 3.94Å; R66-E110 VanDerWaalsContact NH1-CD 3.34Å; R66-E110 IonicContact NH1-OE1 3.63Å; R66-E110 PolarHBondContact NH1-OE1 3.4Å; R66-E110 VanDerWaalsContact NH1-OE1 3.12Å; R66-E110 IonicContact NH1-OE2 3.69Å; R66-E110 PolarHBondContact NH1-OE2 3.05Å; R66-E110 IonicContact NH2-OE1 2.9Å; R66-E110 PolarHBondContact NH2-OE1 2.98Å; R66-E110 IonicContact NH2-OE2 3.53Å; R77-E110 HydrophobicContact CG-CG 4.46Å; R77-E110 IonicContact CZ-OE1 2.66Å; R77-E110 IonicContact NE-OE1 2.81Å; R77-E110 PolarHBondContact NE-OE1 3.17Å; R77-E110 IonicContact NH1-OE1 3.71Å; R77-E110 PolarHBondContact NH1-OE1 3.17Å; R77-E110 IonicContact NH2-OE1 3.44Å; E110-R123 PolarHBondContact O-NH2 2.75Å
111	L	98.5	Very high	96.8	Very high	18 Å²	18	51.6 Å²	51.6	9%	0.094	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-79.6	147.3	172.4	-64.7	-179	0	0	0	111	R78 V80 E115 E117	R78-L111 HydrophobicContact CB-CB 4.25Å; R78-L111 HydrophobicContact CB-CD1 4.02Å; R78-L111 HydrophobicContact CB-CG 4.44Å; R78-L111 PolarHBondContact O-N 2.72Å; V80-L111 HydrophobicContact CG1-CD1 3.82Å; V80-L111 HydrophobicContact CG1-CD2 4.11Å; V80-L111 HydrophobicContact CG1-CG 4.03Å; V80-L111 HydrophobicContact CG2-CD2 3.64Å; V80-L111 HydrophobicContact CG2-CG 4.16Å; L111-E115 WeakPolarHBondContact CA-OE2 3.18Å; L111-E115 HydrophobicContact CB-CB 4.45Å; L111-E115 HydrophobicContact CD2-CG 4.47Å; L111-E117 HydrophobicContact CD1-CB 4.29Å; L111-E117 HydrophobicContact CD1-CG 3.89Å
112	N	97.6	Very high	97.3	Very high	86 Å²	86	48.8 Å²	48.8	46%	0.46	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-68.9	157	167.2	-62.8	-51.6	0	0	0	110.8	R78 G114 E115	R78-N112 PolarHBondContact NH2-O 2.97Å; N112-G114 PolarHBondContact O-N 3.36Å; N112-E115 HydrophobicContact CB-CB 3.99Å; N112-E115 PolarHBondContact N-OE2 3.11Å; N112-E115 PolarHBondContact ND2-OE1 2.91Å; N112-E115 VanDerWaalsContact O-CB 3.28Å; N112-E115 WeakPolarHBondContact O-CB 3.42Å; N112-E115 PolarHBondContact O-N 3.47Å; N112-E115 VanDerWaalsContact O-N 3.08Å
113	P	96.7	Very high	97.7	Very high	96 Å²	96	47.4 Å²	47.4	62%	0.623	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	127.1	173.1	-25.3	35.1	0	0	0	111.3	I74 E115	I74-P113 HydrophobicContact CD1-CG 4.18Å; I74-P113 HydrophobicContact CG2-CG 4.25Å; P113-E115 PolarHBondContact O-N 3.42Å
114	G	95.7	Very high	97.9	Very high	79 Å²	79	43.1 Å²	43.1	81%	0.814	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.8	-2	-178.8	0	0	0	0	0	115.8	N112	N112-G114 PolarHBondContact O-N 3.36Å
115	E	98.2	Very high	97.9	Very high	38 Å²	38	41.3 Å²	41.3	18%	0.178	24%	0.236	C	C	.	.			trans	-66.9	140.1	177.8	-169.4	174.2	-133.9	0	0	111.5	R78 L111 N112 P113 R123	R78-E115 PolarHBondContact NH1-O 3.37Å; R78-E115 VanDerWaalsContact NH1-O 3.07Å; R78-E115 PolarHBondContact NH2-O 2.86Å; L111-E115 WeakPolarHBondContact CA-OE2 3.18Å; L111-E115 HydrophobicContact CB-CB 4.45Å; L111-E115 HydrophobicContact CD2-CG 4.47Å; N112-E115 HydrophobicContact CB-CB 3.99Å; N112-E115 PolarHBondContact N-OE2 3.11Å; N112-E115 PolarHBondContact ND2-OE1 2.91Å; N112-E115 VanDerWaalsContact O-CB 3.28Å; N112-E115 WeakPolarHBondContact O-CB 3.42Å; N112-E115 PolarHBondContact O-N 3.47Å; N112-E115 VanDerWaalsContact O-N 3.08Å; P113-E115 PolarHBondContact O-N 3.42Å; E115-R123 IonicContact OE1-CZ 2.84Å; E115-R123 IonicContact OE1-NE 3.88Å; E115-R123 PolarHBondContact OE1-NE 2.83Å; E115-R123 IonicContact OE1-NH2 2.97Å; E115-R123 PolarHBondContact OE1-NH2 2.84Å; E115-R123 IonicContact OE2-CZ 2.75Å; E115-R123 IonicContact OE2-NE 3.1Å; E115-R123 IonicContact OE2-NH2 3.36Å; E115-R123 PolarHBondContact OE2-NH2 2.88Å
116	D	98.4	Very high	97.9	Very high	89 Å²	89	41.6 Å²	41.6	48%	0.476	24%	0.241	S	C	.	.			trans	-66.5	144.6	171.7	175.2	-100.2	0	0	0	110.8	V118 E119 G120	D116-V118 WeakPolarHBondContact OD1-CA 3.29Å; D116-V118 WeakPolarHBondContact OD1-CB 3.4Å; D116-V118 PolarHBondContact OD1-N 3.48Å; D116-E119 HydrophobicContact CB-CB 4.2Å; D116-E119 HydrophobicContact CB-CG 4.38Å; D116-E119 PolarHBondContact OD1-N 2.61Å; D116-G120 WeakPolarHBondContact O-CA 3.48Å; D116-G120 PolarHBondContact O-N 2.81Å
117	E	98.5	Very high	97.7	Very high	47 Å²	47	46 Å²	46	22%	0.22	26%	0.262	C	S	.	.	H	α-helix	trans	-70.5	-40	-173	-61.2	173.7	160.2	0	0	112.4	V80 L111 L121 K173 F175	V80-E117 HydrophobicContact CG1-CB 4.15Å; L111-E117 HydrophobicContact CD1-CB 4.29Å; L111-E117 HydrophobicContact CD1-CG 3.89Å; E117-L121 WeakPolarHBondContact O-CB 3.35Å; E117-L121 PolarHBondContact O-N 3.46Å; E117-K173 VanDerWaalsContact CD-CD 3.49Å; E117-K173 WeakPolarHBondContact OE1-CD 3.45Å; E117-K173 WeakPolarHBondContact OE1-CE 3.44Å; E117-K173 IonicContact OE1-NZ 2.91Å; E117-K173 PolarHBondContact OE1-NZ 3.07Å; E117-K173 WeakPolarHBondContact OE2-CD 3.21Å; E117-K173 WeakPolarHBondContact OE2-CE 3.14Å; E117-K173 IonicContact OE2-NZ 2.87Å; E117-K173 PolarHBondContact OE2-NZ 2.77Å; E117-F175 HydrophobicContact CB-CE2 4.41Å; E117-F175 HydrophobicContact CB-CZ 4.09Å
118	V	98.3	Very high	97.6	Very high	37 Å²	37	46.7 Å²	46.7	22%	0.224	27%	0.265	C	S	.	.	H	α-helix	trans	-74.1	-49	-179	172.6	0	0	0	0	109.5	D116 G120 L121 K122 I141 F175	D116-V118 WeakPolarHBondContact OD1-CA 3.29Å; D116-V118 WeakPolarHBondContact OD1-CB 3.4Å; D116-V118 PolarHBondContact OD1-N 3.48Å; V118-G120 VanDerWaalsContact C-N 3.33Å; V118-G120 PolarHBondContact O-N 3.14Å; V118-L121 PolarHBondContact O-N 3.43Å; V118-L121 VanDerWaalsContact O-N 3.16Å; V118-K122 WeakPolarHBondContact O-CG 3.44Å; V118-K122 PolarHBondContact O-N 2.72Å; V118-I141 HydrophobicContact CG1-CB 4.07Å; V118-I141 HydrophobicContact CG1-CG2 4.48Å; V118-F175 HydrophobicContact CG2-CE1 4.39Å
119	E	98.3	Very high	97.5	Very high	102 Å²	102	45.9 Å²	45.9	48%	0.477	26%	0.257	S	S	.	.	H	α-helix	trans	-64.8	-38	178.6	-64	-55.2	124.7	0	0	112.1	D116 K122 R123	D116-E119 HydrophobicContact CB-CB 4.2Å; D116-E119 HydrophobicContact CB-CG 4.38Å; D116-E119 PolarHBondContact OD1-N 2.61Å; E119-K122 PolarHBondContact O-N 3.45Å; E119-K122 IonicContact OE1-NZ 2.72Å; E119-K122 PolarHBondContact OE1-NZ 2.67Å; E119-R123 PolarHBondContact O-N 2.82Å
120	G	98.4	Very high	97.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-40.1	172.6	0	0	0	0	0	112.5	D116 V118 R123 L124	D116-G120 WeakPolarHBondContact O-CA 3.48Å; D116-G120 PolarHBondContact O-N 2.81Å; V118-G120 VanDerWaalsContact C-N 3.33Å; V118-G120 PolarHBondContact O-N 3.14Å; G120-R123 PolarHBondContact O-N 2.81Å; G120-L124 WeakPolarHBondContact O-CB 3.33Å; G120-L124 WeakPolarHBondContact O-CD1 3.4Å; G120-L124 VanDerWaalsContact O-CG 3.26Å; G120-L124 WeakPolarHBondContact O-CG 3.46Å; G120-L124 PolarHBondContact O-N 2.84Å
121	L	98.6	Very high	96.9	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.6	-43.3	173.6	-176.3	57.1	0	0	0	111.4	V80 E117 V118 R123 L124 M125 I141 F175 V177	V80-L121 HydrophobicContact CB-CB 4.2Å; V80-L121 HydrophobicContact CB-CD1 4.33Å; V80-L121 HydrophobicContact CG2-CB 3.76Å; V80-L121 HydrophobicContact CG2-CD1 3.99Å; V80-L121 HydrophobicContact CG2-CG 4.42Å; E117-L121 WeakPolarHBondContact O-CB 3.35Å; E117-L121 PolarHBondContact O-N 3.46Å; V118-L121 PolarHBondContact O-N 3.43Å; V118-L121 VanDerWaalsContact O-N 3.16Å; L121-R123 VanDerWaalsContact C-N 3.31Å; L121-R123 PolarHBondContact O-N 2.87Å; L121-L124 PolarHBondContact O-N 2.92Å; L121-M125 HydrophobicContact CD1-CG 3.83Å; L121-M125 HydrophobicContact CD1-SD 4.28Å; L121-M125 HydrophobicContact CG-CG 4.02Å; L121-M125 WeakPolarHBondContact O-CB 3.19Å; L121-M125 WeakPolarHBondContact O-CG 3.23Å; L121-M125 PolarHBondContact O-N 2.9Å; L121-I141 HydrophobicContact CB-CD1 4.14Å; L121-I141 HydrophobicContact CD2-CD1 3.83Å; L121-I141 HydrophobicContact CD2-CG2 4.2Å; L121-I141 HydrophobicContact CG-CD1 3.85Å; L121-F175 HydrophobicContact CD2-CB 3.73Å; L121-F175 HydrophobicContact CD2-CD2 3.74Å; L121-F175 HydrophobicContact CD2-CG 4.03Å; L121-V177 HydrophobicContact CD2-CG2 4.37Å
122	K	98.3	Very high	96.1	Very high	57 Å²	57	53.4 Å²	53.4	25%	0.248	29%	0.285	C	S	.	.	H	α-helix	trans	-57.7	-43.2	174.9	-66.9	-178.7	-179	163.5	0	112	V118 E119 T126 W139 I141	V118-K122 WeakPolarHBondContact O-CG 3.44Å; V118-K122 PolarHBondContact O-N 2.72Å; E119-K122 PolarHBondContact O-N 3.45Å; E119-K122 IonicContact OE1-NZ 2.72Å; E119-K122 PolarHBondContact OE1-NZ 2.67Å; K122-T126 WeakPolarHBondContact O-CB 3.32Å; K122-T126 PolarHBondContact O-N 2.9Å; K122-T126 PolarHBondContact O-OG1 3.29Å; K122-W139 WeakPolarHBondContact CE-O 3.41Å; K122-W139 HydrophobicContact CG-CB 4.04Å; K122-I141 HydrophobicContact CG-CD1 3.77Å
123	R	97.5	Very high	95.3	Very high	82 Å²	82	53.7 Å²	53.7	31%	0.309	29%	0.286	S	S	.	.	H	α-helix	trans	-59.1	-51.6	174.5	179.2	-176.9	58.1	68.1	0.3	111.1	E110 E115 E119 G120 L121 T126 E127	E110-R123 PolarHBondContact O-NH2 2.75Å; E115-R123 IonicContact OE1-CZ 2.84Å; E115-R123 IonicContact OE1-NE 3.88Å; E115-R123 PolarHBondContact OE1-NE 2.83Å; E115-R123 IonicContact OE1-NH2 2.97Å; E115-R123 PolarHBondContact OE1-NH2 2.84Å; E115-R123 IonicContact OE2-CZ 2.75Å; E115-R123 IonicContact OE2-NE 3.1Å; E115-R123 IonicContact OE2-NH2 3.36Å; E115-R123 PolarHBondContact OE2-NH2 2.88Å; E119-R123 PolarHBondContact O-N 2.82Å; G120-R123 PolarHBondContact O-N 2.81Å; L121-R123 VanDerWaalsContact C-N 3.31Å; L121-R123 PolarHBondContact O-N 2.87Å; R123-T126 PolarHBondContact O-N 3.06Å; R123-E127 IonicContact NH1-OE2 2.72Å; R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 PolarHBondContact O-N 2.91Å
124	L	98	Very high	94.3	Very high	12 Å²	12	52.3 Å²	52.3	6%	0.063	29%	0.289	C	S	.	.	H	α-helix	trans	-64	-41.2	-178.6	-70.9	161.1	0	0	0	112.2	V80 G120 L121 T126 E127 I128	V80-L124 HydrophobicContact CG2-CD1 3.65Å; G120-L124 WeakPolarHBondContact O-CB 3.33Å; G120-L124 WeakPolarHBondContact O-CD1 3.4Å; G120-L124 VanDerWaalsContact O-CG 3.26Å; G120-L124 WeakPolarHBondContact O-CG 3.46Å; G120-L124 PolarHBondContact O-N 2.84Å; L121-L124 PolarHBondContact O-N 2.92Å; L124-T126 VanDerWaalsContact C-N 3.32Å; L124-T126 PolarHBondContact O-N 2.87Å; L124-E127 PolarHBondContact O-N 2.8Å; L124-I128 WeakPolarHBondContact O-CB 3.32Å; L124-I128 WeakPolarHBondContact O-CD1 3.43Å; L124-I128 WeakPolarHBondContact O-CG1 3.31Å; L124-I128 PolarHBondContact O-N 2.77Å
125	M	97.3	Very high	93.6	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-62.1	-41	175.2	-69.6	-70.8	-67.9	0	0	111.5	L84 P107 L121 I128 L129 G130 W139 V177	L84-M125 HydrophobicContact CD1-CE 3.65Å; L84-M125 HydrophobicContact CD2-CE 3.57Å; L84-M125 HydrophobicContact CG-CE 3.84Å; P107-M125 HydrophobicContact CB-SD 3.65Å; P107-M125 HydrophobicContact CG-CE 4.21Å; P107-M125 HydrophobicContact CG-SD 3.7Å; L121-M125 HydrophobicContact CD1-CG 3.83Å; L121-M125 HydrophobicContact CD1-SD 4.28Å; L121-M125 HydrophobicContact CG-CG 4.02Å; L121-M125 WeakPolarHBondContact O-CB 3.19Å; L121-M125 WeakPolarHBondContact O-CG 3.23Å; L121-M125 PolarHBondContact O-N 2.9Å; M125-I128 PolarHBondContact O-N 2.84Å; M125-L129 HydrophobicContact CE-CD1 4.44Å; M125-L129 PolarHBondContact O-N 2.97Å; M125-G130 PolarHBondContact O-N 3.31Å; M125-W139 HydrophobicContact CB-CD2 4.01Å; M125-W139 HydrophobicContact CB-CG 4.37Å; M125-W139 HydrophobicContact CB-CH2 4.48Å; M125-W139 HydrophobicContact CB-CZ2 3.91Å; M125-W139 HydrophobicContact CE-CD2 4.45Å; M125-W139 HydrophobicContact CE-CE3 3.93Å; M125-W139 HydrophobicContact CE-CH2 3.94Å; M125-W139 HydrophobicContact CE-CZ2 4.47Å; M125-W139 HydrophobicContact CE-CZ3 3.65Å; M125-V177 HydrophobicContact CE-CG1 4.23Å; M125-V177 HydrophobicContact CE-CG2 4.27Å
126	T	96.1	Very high	92.8	Very high	50 Å²	50	57.5 Å²	57.5	31%	0.307	30%	0.302	S	S	.	.	H	α-helix	trans	-67.8	-42.2	175.8	-55.6	0	0	0	0	111.4	K122 R123 L124 I128 G130 W139	K122-T126 WeakPolarHBondContact O-CB 3.32Å; K122-T126 PolarHBondContact O-N 2.9Å; K122-T126 PolarHBondContact O-OG1 3.29Å; R123-T126 PolarHBondContact O-N 3.06Å; L124-T126 VanDerWaalsContact C-N 3.32Å; L124-T126 PolarHBondContact O-N 2.87Å; T126-I128 VanDerWaalsContact C-N 3.32Å; T126-I128 PolarHBondContact O-N 2.92Å; T126-G130 WeakPolarHBondContact O-CA 3.35Å; T126-G130 PolarHBondContact O-N 3.44Å; T126-W139 PolarHBondContact OG1-NE1 3.38Å
127	E	94.9	Very high	92.2	Very high	101 Å²	101	54.9 Å²	54.9	47%	0.472	29%	0.286	S	S	.	.	H	α-helix	trans	-59.4	-43.2	175.5	-173.4	179.5	161.9	0	0	111.5	K50 R123 L124	K50-E127 PolarHBondContact NZ-O 3.16Å; R123-E127 IonicContact NH1-OE2 2.72Å; R123-E127 WeakPolarHBondContact O-CB 3.38Å; R123-E127 PolarHBondContact O-N 2.91Å; L124-E127 PolarHBondContact O-N 2.8Å
128	I	95.9	Very high	91.9	Very high	14 Å²	14	57.7 Å²	57.7	7%	0.072	30%	0.303	C	S	.	.	H	α-helix	trans	-83.1	-47.2	-175.4	-62	164.6	0	0	0	112.2	K50 L53 L97 P107 G108 L124 M125 T126 P188	K50-I128 WeakPolarHBondContact CE-O 3.39Å; K50-I128 PolarHBondContact NZ-O 2.92Å; L53-I128 HydrophobicContact CD2-CG1 3.86Å; L97-I128 HydrophobicContact CD1-CG2 3.69Å; L97-I128 HydrophobicContact CD2-CG2 4.37Å; P107-I128 HydrophobicContact CB-CD1 4.35Å; P107-I128 HydrophobicContact CB-CG2 4.39Å; G108-I128 VanDerWaalsContact N-CD1 3.33Å; G108-I128 VanDerWaalsContact O-CD1 3.31Å; G108-I128 WeakPolarHBondContact O-CD1 3.47Å; L124-I128 WeakPolarHBondContact O-CB 3.32Å; L124-I128 WeakPolarHBondContact O-CD1 3.43Å; L124-I128 WeakPolarHBondContact O-CG1 3.31Å; L124-I128 PolarHBondContact O-N 2.77Å; M125-I128 PolarHBondContact O-N 2.84Å; T126-I128 VanDerWaalsContact C-N 3.32Å; T126-I128 PolarHBondContact O-N 2.92Å; I128-P188 WeakPolarHBondContact O-CD 3.37Å
129	L	95.9	Very high	91.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-118.2	-8.4	-170.8	-63	179.3	0	0	0	114.7	L84 L97 P107 M125 W139 F185 A186 V187 L193	L84-L129 HydrophobicContact CD1-CD1 4.45Å; L97-L129 HydrophobicContact CD2-CD2 4.23Å; P107-L129 HydrophobicContact CB-CD1 4.19Å; P107-L129 HydrophobicContact CG-CD1 4.26Å; M125-L129 HydrophobicContact CE-CD1 4.44Å; M125-L129 PolarHBondContact O-N 2.97Å; L129-W139 HydrophobicContact CB-CH2 4.26Å; L129-W139 HydrophobicContact CB-CZ2 4.48Å; L129-F185 HydrophobicContact CB-CD1 4.06Å; L129-F185 HydrophobicContact CD1-CD1 4.34Å; L129-F185 WeakPolarHBondContact O-CA 3.28Å; L129-A186 PolarHBondContact O-N 2.97Å; L129-V187 HydrophobicContact CD2-CG2 4.26Å; L129-L193 HydrophobicContact CD2-CD2 4.1Å
130	G	93.4	Very high	91.8	Very high	6 Å²	6	53.2 Å²	53.2	6%	0.062	28%	0.282	C	S	.	.			trans	-67.2	147	-178.9	0	0	0	0	0	113.3	K50 M125 T126 A186	K50-G130 PolarHBondContact NZ-O 3.02Å; M125-G130 PolarHBondContact O-N 3.31Å; T126-G130 WeakPolarHBondContact O-CA 3.35Å; T126-G130 PolarHBondContact O-N 3.44Å; G130-A186 WeakPolarHBondContact O-CB 3.45Å
131	R	89.6	Confident	91.8	Very high	85 Å²	85	53.8 Å²	53.8	32%	0.321	29%	0.285	S	S	.	.			trans	-68.5	151.8	178.6	-58.2	165.1	64.3	151.6	3	111.1	D133 L184	R131-D133 WeakPolarHBondContact CB-OD1 3.45Å; R131-D133 IonicContact CZ-OD1 3.23Å; R131-D133 IonicContact CZ-OD2 3.54Å; R131-D133 IonicContact NE-OD1 3.86Å; R131-D133 PolarHBondContact NE-OD1 2.81Å; R131-D133 VanDerWaalsContact NE-OD1 3.1Å; R131-D133 IonicContact NE-OD2 2.61Å; R131-D133 PolarHBondContact NE-OD2 2.75Å; R131-D133 IonicContact NH2-OD1 3.09Å; R131-D133 IonicContact NH2-OD2 2.79Å; R131-D133 PolarHBondContact NH2-OD2 2.77Å; R131-L184 HydrophobicContact CG-CB 4.36Å; R131-L184 HydrophobicContact CG-CD2 4.14Å; R131-L184 HydrophobicContact CG-CG 4.23Å; R131-L184 WeakPolarHBondContact CG-O 3.11Å
132	Q	81.8	Confident	91.7	Very high	141 Å²	141	58.9 Å²	58.9	66%	0.659	31%	0.312	S	S	*	.	S	Bend	trans	-97	2	177.7	-66.8	-173.4	-46.7	0	0	113.5	K50 G134	K50-Q132 HydrophobicContact CB-CG 4.48Å; K50-Q132 HydrophobicContact CD-CG 4.39Å; Q132-G134 VanDerWaalsContact C-N 3.29Å; Q132-G134 PolarHBondContact O-N 2.89Å
133	D	81.6	Confident	91.7	Very high	91 Å²	91	56.9 Å²	56.9	49%	0.487	30%	0.304	S	S	.	.	S	Bend	trans	-89.4	11.5	-178.7	57.4	8.1	0	0	0	113.9	R131 V135	R131-D133 WeakPolarHBondContact CB-OD1 3.45Å; R131-D133 IonicContact CZ-OD1 3.23Å; R131-D133 IonicContact CZ-OD2 3.54Å; R131-D133 IonicContact NE-OD1 3.86Å; R131-D133 PolarHBondContact NE-OD1 2.81Å; R131-D133 VanDerWaalsContact NE-OD1 3.1Å; R131-D133 IonicContact NE-OD2 2.61Å; R131-D133 PolarHBondContact NE-OD2 2.75Å; R131-D133 IonicContact NH2-OD1 3.09Å; R131-D133 IonicContact NH2-OD2 2.79Å; R131-D133 PolarHBondContact NH2-OD2 2.77Å; D133-V135 VanDerWaalsContact C-N 3.28Å; D133-V135 PolarHBondContact O-N 2.88Å; D133-V135 PolarHBondContact OD1-N 2.94Å
134	G	75.4	Confident	91.7	Very high	67 Å²	67	55.7 Å²	55.7	69%	0.691	31%	0.307	S	S	*	.	S	Bend	trans	82.4	-2.8	177.9	0	0	0	0	0	114.8	Q132 L136	Q132-G134 VanDerWaalsContact C-N 3.29Å; Q132-G134 PolarHBondContact O-N 2.89Å; G134-L136 PolarHBondContact O-N 2.94Å
135	V	82.1	Confident	91.7	Very high	76 Å²	76	55.8 Å²	55.8	46%	0.461	31%	0.308	S	S	.	.			trans	-77.5	110.4	173.2	-177.1	0	0	0	0	109.1	D133 Q137	D133-V135 VanDerWaalsContact C-N 3.28Å; D133-V135 PolarHBondContact O-N 2.88Å; D133-V135 PolarHBondContact OD1-N 2.94Å; V135-Q137 PolarHBondContact O-N 3.29Å
136	L	81.1	Confident	91.7	Very high	151 Å²	151	56.3 Å²	56.3	79%	0.791	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-69.8	126.7	174.2	-66.1	174.4	0	0	0	109.8	G134	G134-L136 PolarHBondContact O-N 2.94Å
137	Q	86.1	Confident	91.9	Very high	33 Å²	33	56.2 Å²	56.2	15%	0.154	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-82.1	122.3	172.3	-172.3	66.8	51.5	0	0	108.5	V135 W139	V135-Q137 PolarHBondContact O-N 3.29Å; Q137-W139 HydrophobicContact CB-CZ2 4.06Å; Q137-W139 HydrophobicContact CG-CD2 4.09Å; Q137-W139 HydrophobicContact CG-CE3 4.24Å; Q137-W139 HydrophobicContact CG-CH2 3.97Å; Q137-W139 HydrophobicContact CG-CZ2 3.77Å; Q137-W139 HydrophobicContact CG-CZ3 4.19Å; Q137-W139 PolarHBondContact O-N 3.22Å
138	D	91.4	Very high	92	Very high	106 Å²	106	52.3 Å²	52.3	57%	0.567	29%	0.292	S	S	*	.	P	Polyproline II helix	trans	-79.5	116.8	173	-173.2	26.4	0	0	0	109.9
139	W	96.8	Very high	92.2	Very high	8 Å²	8	53.7 Å²	53.7	3%	0.03	30%	0.297	C	S	.	.			trans	-102.2	113.6	-178	-60.7	110.4	0	0	0	109.6	L84 K122 M125 T126 L129 Q137 I141 V177 L179 F185	L84-W139 HydrophobicContact CD2-CZ3 3.82Å; K122-W139 WeakPolarHBondContact CE-O 3.41Å; K122-W139 HydrophobicContact CG-CB 4.04Å; M125-W139 HydrophobicContact CB-CD2 4.01Å; M125-W139 HydrophobicContact CB-CG 4.37Å; M125-W139 HydrophobicContact CB-CH2 4.48Å; M125-W139 HydrophobicContact CB-CZ2 3.91Å; M125-W139 HydrophobicContact CE-CD2 4.45Å; M125-W139 HydrophobicContact CE-CE3 3.93Å; M125-W139 HydrophobicContact CE-CH2 3.94Å; M125-W139 HydrophobicContact CE-CZ2 4.47Å; M125-W139 HydrophobicContact CE-CZ3 3.65Å; T126-W139 PolarHBondContact OG1-NE1 3.38Å; L129-W139 HydrophobicContact CB-CH2 4.26Å; L129-W139 HydrophobicContact CB-CZ2 4.48Å; Q137-W139 HydrophobicContact CB-CZ2 4.06Å; Q137-W139 HydrophobicContact CG-CD2 4.09Å; Q137-W139 HydrophobicContact CG-CE3 4.24Å; Q137-W139 HydrophobicContact CG-CH2 3.97Å; Q137-W139 HydrophobicContact CG-CZ2 3.77Å; Q137-W139 HydrophobicContact CG-CZ3 4.19Å; Q137-W139 PolarHBondContact O-N 3.22Å; W139-I141 HydrophobicContact CB-CD1 4.28Å; W139-I141 HydrophobicContact CB-CG1 4.28Å; W139-V177 HydrophobicContact CE3-CG1 3.75Å; W139-V177 HydrophobicContact CZ3-CG1 4.44Å; W139-L179 HydrophobicContact CZ3-CD2 4.3Å; W139-F185 HydrophobicContact CH2-CD1 4.18Å; W139-F185 AromaticContact CH2-CE1 3.82Å; W139-F185 HydrophobicContact CH2-CE1 3.82Å; W139-F185 HydrophobicContact CZ3-CE1 4.05Å
140	V	98.1	Very high	92.3	Very high	38 Å²	38	53.8 Å²	53.8	23%	0.23	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.6	178.3	-179.5	0	0	0	0	109.4	Q178	V140-Q178 HydrophobicContact CB-CB 4.08Å; V140-Q178 HydrophobicContact CG1-CB 4.16Å; V140-Q178 PolarHBondContact O-N 3.29Å
141	I	98.3	Very high	92.6	Very high	12 Å²	12	53.9 Å²	53.9	6%	0.062	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	89.8	-171.9	-46.1	-176.2	0	0	0	109.5	V118 L121 K122 W139 F175 V177	V118-I141 HydrophobicContact CG1-CB 4.07Å; V118-I141 HydrophobicContact CG1-CG2 4.48Å; L121-I141 HydrophobicContact CB-CD1 4.14Å; L121-I141 HydrophobicContact CD2-CD1 3.83Å; L121-I141 HydrophobicContact CD2-CG2 4.2Å; L121-I141 HydrophobicContact CG-CD1 3.85Å; K122-I141 HydrophobicContact CG-CD1 3.77Å; W139-I141 HydrophobicContact CB-CD1 4.28Å; W139-I141 HydrophobicContact CB-CG1 4.28Å; I141-F175 HydrophobicContact CG2-CB 3.59Å; I141-F175 HydrophobicContact CG2-CD1 4.04Å; I141-F175 HydrophobicContact CG2-CG 3.98Å; I141-V177 HydrophobicContact CD1-CG2 4.24Å; I141-V177 HydrophobicContact CG1-CG1 4.25Å; I141-V177 HydrophobicContact CG1-CG2 4.18Å
142	D	96.7	Very high	93	Very high	107 Å²	107	53.2 Å²	53.2	57%	0.572	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	-13	-174.5	-60.7	-24.6	0	0	0	113.2	R35 Q178	R35-D142 IonicContact NH2-OD2 3.39Å; R35-D142 PolarHBondContact NH2-OD2 2.81Å; D142-Q178 PolarHBondContact OD2-NE2 2.95Å
143	D	98.1	Very high	93.8	Very high	15 Å²	15	48.2 Å²	48.2	8%	0.08	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	108.7	-161.9	-78.5	-86.2	0	0	0	111	R35 F175 L176 F222	R35-D143 IonicContact CZ-OD2 3.34Å; R35-D143 IonicContact NE-OD1 2.73Å; R35-D143 PolarHBondContact NE-OD1 3Å; R35-D143 IonicContact NE-OD2 2.75Å; R35-D143 PolarHBondContact NE-OD2 3.44Å; R35-D143 IonicContact NH2-OD2 3.11Å; R35-D143 PolarHBondContact NH2-OD2 2.89Å; D143-F175 CarbonylContact O-C 3.52Å; D143-F175 VanDerWaalsContact O-CA 3.25Å; D143-F175 WeakPolarHBondContact O-CA 3.43Å; D143-L176 HydrophobicContact CB-CB 4.03Å; D143-L176 PolarHBondContact O-N 2.77Å; D143-F222 HydrophobicContact CB-CE1 4.3Å; D143-F222 HydrophobicContact CB-CZ 4.25Å
144	C	97.9	Very high	94.5	Very high	56 Å²	56	48.9 Å²	48.9	38%	0.378	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.2	164.4	-176	0	0	0	0	109.3	F175 R221	C144-F175 HydrophobicContact CB-CD1 4.15Å; C144-F175 HydrophobicContact CB-CE1 4.06Å; C144-R221 PolarHBondContact O-NH2 3.31Å; C144-R221 VanDerWaalsContact O-NH2 3.09Å
145	I	96.9	Very high	95.6	Very high	14 Å²	14	49.9 Å²	49.9	7%	0.072	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	-17.5	-176.9	63.3	171.8	0	0	0	113.6	V83 L174 L176 L215 L219 F222	V83-I145 HydrophobicContact CB-CD1 3.9Å; V83-I145 HydrophobicContact CG1-CD1 4.41Å; V83-I145 HydrophobicContact CG2-CD1 3.51Å; I145-L174 HydrophobicContact CD1-CB 4.01Å; I145-L174 HydrophobicContact CD1-CD2 4.43Å; I145-L174 HydrophobicContact CG1-CB 3.55Å; I145-L174 WeakPolarHBondContact CG1-O 3.08Å; I145-L174 PolarHBondContact N-O 2.84Å; I145-L176 HydrophobicContact CG2-CB 3.79Å; I145-L215 HydrophobicContact CD1-CD2 4.22Å; I145-L219 HydrophobicContact CD1-CD2 4.47Å; I145-F222 HydrophobicContact CG2-CE2 3.79Å; I145-F222 HydrophobicContact CG2-CZ 3.7Å
146	G	98.3	Very high	96.3	Very high	12 Å²	12	48.9 Å²	48.9	12%	0.124	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	161.5	-179.3	0	0	0	0	0	114.2	L174	G146-L174 PolarHBondContact O-N 2.97Å
147	N	98.8	Very high	97.1	Very high	48 Å²	48	43.4 Å²	43.4	26%	0.257	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	139.3	177.4	-68.8	-98.3	0	0	0	109	W149 P159 H171 K172 K173	N147-W149 HydrophobicContact CB-CE3 4.35Å; N147-W149 HydrophobicContact CB-CH2 3.26Å; N147-W149 HydrophobicContact CB-CZ2 3.82Å; N147-W149 HydrophobicContact CB-CZ3 3.55Å; N147-P159 WeakPolarHBondContact O-CA 3.38Å; N147-H171 PolarHBondContact OD1-NE2 3.43Å; N147-K172 CarbonylContact C-O 3.56Å; N147-K172 WeakPolarHBondContact CA-O 3.11Å; N147-K173 WeakPolarHBondContact OD1-CE 3.08Å; N147-K173 VanDerWaalsContact OD1-CG 3.23Å; N147-K173 WeakPolarHBondContact OD1-CG 3.16Å
148	W	98.8	Very high	97.7	Very high	19 Å²	19	45.8 Å²	45.8	7%	0.072	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.9	176.7	-72.6	77.5	0	0	0	110.4	Q157 Y158 P159 K172 P210 I211	W148-Q157 HydrophobicContact CE3-CB 3.88Å; W148-Q157 WeakPolarHBondContact CZ3-O 3.47Å; W148-Y158 CarbonylContact C-O 3.57Å; W148-Y158 VanDerWaalsContact CA-O 3.31Å; W148-Y158 WeakPolarHBondContact CA-O 3.48Å; W148-P159 HydrophobicContact CD2-CB 4.34Å; W148-P159 HydrophobicContact CH2-CG 4.46Å; W148-P159 HydrophobicContact CZ2-CB 4.29Å; W148-K172 HydrophobicContact CB-CB 4.28Å; W148-K172 PolarHBondContact N-O 2.73Å; W148-K172 PolarHBondContact O-N 2.9Å; W148-P210 HydrophobicContact CH2-CB 3.89Å; W148-P210 WeakPolarHBondContact CH2-O 3.49Å; W148-P210 WeakPolarHBondContact CZ2-O 3.4Å; W148-P210 HydrophobicContact CZ3-CB 4.12Å; W148-P210 HydrophobicContact CZ3-CG 4.34Å; W148-I211 HydrophobicContact CB-CD1 4.3Å; W148-I211 HydrophobicContact CD2-CD1 4Å; W148-I211 HydrophobicContact CD2-CG1 3.69Å; W148-I211 HydrophobicContact CE3-CD1 4.36Å; W148-I211 HydrophobicContact CE3-CG1 3.95Å; W148-I211 HydrophobicContact CG-CD1 3.95Å; W148-I211 HydrophobicContact CG-CG1 4.12Å; W148-I211 HydrophobicContact CH2-CG1 4.26Å; W148-I211 HydrophobicContact CZ2-CB 4.38Å; W148-I211 HydrophobicContact CZ2-CG1 4.02Å; W148-I211 HydrophobicContact CZ3-CG1 4.22Å
149	W	98.9	Very high	98.1	Very high	43 Å²	43	44.4 Å²	44.4	16%	0.163	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	136.5	-179.5	-67.4	-89.6	0	0	0	111.2	N147 Q157 Y158 Y160 I161 P168 E170 H171	N147-W149 HydrophobicContact CB-CE3 4.35Å; N147-W149 HydrophobicContact CB-CH2 3.26Å; N147-W149 HydrophobicContact CB-CZ2 3.82Å; N147-W149 HydrophobicContact CB-CZ3 3.55Å; W149-Q157 CarbonylContact O-C 3.54Å; W149-Q157 WeakPolarHBondContact O-CA 3.38Å; W149-Y158 PolarHBondContact N-O 3.44Å; W149-Y158 PolarHBondContact O-N 2.8Å; W149-Y160 VanDerWaalsContact CE3-C 3.42Å; W149-I161 HydrophobicContact CD2-CG1 3.68Å; W149-I161 HydrophobicContact CE3-CG1 4.31Å; W149-I161 HydrophobicContact CG-CG1 3.77Å; W149-I161 HydrophobicContact CZ2-CD1 4.48Å; W149-I161 HydrophobicContact CZ2-CG1 4.25Å; W149-P168 HydrophobicContact CB-CB 4.49Å; W149-E170 WeakPolarHBondContact CA-O 3.1Å; W149-H171 AromaticContact CD1-CD2 3.98Å; W149-H171 AromaticContact CE2-CD2 3.69Å; W149-H171 AromaticContact CE2-NE2 3.89Å; W149-H171 AromaticContact CZ2-NE2 3.79Å; W149-H171 AromaticContact NE1-CD2 3.43Å; W149-H171 PolarHBondContact NE1-CD2 2.9Å; W149-H171 AromaticContact NE1-CG 3.58Å; W149-H171 AromaticContact NE1-NE2 3.9Å
150	R	98.8	Very high	98.2	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	114.3	170.9	-171.3	-172.3	-61.1	-64.1	-11.2	109.1	N152 E154 P155 Q157 P168 K169 E170	R150-N152 WeakPolarHBondContact CD-O 3.44Å; R150-N152 WeakPolarHBondContact CG-O 3.33Å; R150-E154 WeakPolarHBondContact CD-O 3.38Å; R150-E154 PolarHBondContact NH1-O 3.25Å; R150-P155 PolarHBondContact NH1-O 3.47Å; R150-Q157 HydrophobicContact CB-CG 4.14Å; R150-Q157 HydrophobicContact CG-CG 4.46Å; R150-P168 CarbonylContact O-C 3.55Å; R150-P168 WeakPolarHBondContact O-CA 3.28Å; R150-P168 WeakPolarHBondContact O-CB 3.49Å; R150-K169 PolarHBondContact O-N 2.93Å; R150-E170 HydrophobicContact CB-CB 3.74Å; R150-E170 IonicContact CZ-OE2 3.4Å; R150-E170 PolarHBondContact N-O 3.31Å; R150-E170 IonicContact NE-OE2 3.12Å; R150-E170 PolarHBondContact NE-OE2 2.61Å; R150-E170 IonicContact NH2-OE2 2.74Å; R150-E170 PolarHBondContact NH2-OE2 2.83Å
151	P	98.6	Very high	98.2	Very high	8 Å²	8	52.5 Å²	52.5	5%	0.052	27%	0.273	C	S	.	.			trans	-75.5	-34.6	-177	28.3	-34.2	0	0	0	113.2	Y158 P162 I165 K169	P151-Y158 HydrophobicContact CG-CD2 4.08Å; P151-Y158 HydrophobicContact CG-CE2 3.79Å; P151-P162 HydrophobicContact CB-CG 4.35Å; P151-P162 HydrophobicContact CG-CG 4.38Å; P151-I165 HydrophobicContact CB-CD1 3.89Å; P151-I165 HydrophobicContact CB-CG1 3.87Å; P151-I165 HydrophobicContact CB-CG2 4.05Å; P151-K169 PolarHBondContact O-NZ 3.47Å
152	N	98.5	Very high	98.2	Very high	71 Å²	71	53 Å²	53	38%	0.38	28%	0.277	S	S	.	.	S	Bend	trans	-126.6	171.3	-171.7	-61.4	-33.9	0	0	0	111.8	R150 E154	R150-N152 WeakPolarHBondContact CD-O 3.44Å; R150-N152 WeakPolarHBondContact CG-O 3.33Å; N152-E154 HydrophobicContact CB-CB 4.22Å; N152-E154 HydrophobicContact CB-CG 4.16Å; N152-E154 PolarHBondContact O-N 3.45Å
153	F	98.2	Very high	98.3	Very high	36 Å²	36	51.8 Å²	51.8	16%	0.158	28%	0.282	C	S	.	.	S	Bend	trans	-79.8	54.7	172.1	-58.8	-73	0	0	0	111.2	F64 M67 R68 F71 K169	F64-F153 VanDerWaalsContact CD1-C 3.4Å; F64-F153 HydrophobicContact CD1-CB 4.42Å; F64-F153 WeakPolarHBondContact CD1-O 3.43Å; M67-F153 HydrophobicContact CB-CD1 4.12Å; M67-F153 HydrophobicContact CB-CE1 4.44Å; M67-F153 HydrophobicContact CG-CD1 3.78Å; M67-F153 HydrophobicContact CG-CE1 3.95Å; M67-F153 WeakPolarHBondContact O-CE1 3.49Å; M67-F153 HydrophobicContact SD-CD1 3.97Å; R68-F153 HydrophobicContact CB-CD1 4.48Å; R68-F153 HydrophobicContact CB-CE1 4.22Å; R68-F153 HydrophobicContact CB-CZ 4.26Å; R68-F153 HydrophobicContact CG-CB 4.24Å; R68-F153 HydrophobicContact CG-CD1 3.64Å; R68-F153 HydrophobicContact CG-CD2 3.68Å; R68-F153 HydrophobicContact CG-CE1 3.77Å; R68-F153 HydrophobicContact CG-CE2 3.79Å; R68-F153 HydrophobicContact CG-CG 3.58Å; R68-F153 HydrophobicContact CG-CZ 3.82Å; R68-F153 VanDerWaalsContact NH1-CB 3.26Å; F71-F153 HydrophobicContact CB-CE1 3.87Å; F71-F153 HydrophobicContact CB-CZ 3.82Å; F71-F153 AromaticContact CD1-CZ 3.94Å; F71-F153 HydrophobicContact CD1-CZ 3.94Å; F71-F153 HydrophobicContact CG-CE1 4.21Å; F71-F153 AromaticContact CG-CZ 3.87Å; F71-F153 HydrophobicContact CG-CZ 3.87Å; F153-K169 HydrophobicContact CD1-CB 4.15Å; F153-K169 HydrophobicContact CD1-CD 4.35Å; F153-K169 HydrophobicContact CD1-CG 3.95Å; F153-K169 HydrophobicContact CD2-CD 4.34Å; F153-K169 HydrophobicContact CD2-CG 4.33Å; F153-K169 HydrophobicContact CE1-CB 4.02Å; F153-K169 HydrophobicContact CE1-CD 3.78Å; F153-K169 HydrophobicContact CE1-CG 3.84Å; F153-K169 HydrophobicContact CE2-CD 3.79Å; F153-K169 HydrophobicContact CE2-CG 4.25Å; F153-K169 HydrophobicContact CG-CG 4.2Å; F153-K169 HydrophobicContact CZ-CD 3.49Å; F153-K169 VanDerWaalsContact CZ-CD 3.49Å; F153-K169 HydrophobicContact CZ-CG 4.02Å
154	E	97.4	Very high	98.3	Very high	104 Å²	104	60 Å²	60	49%	0.486	32%	0.32	S	S	.	.	S	Bend	trans	-143.8	162	-171.8	-67.9	174.2	179.6	0	0	110.1	F64 R150 N152 P156	F64-E154 VanDerWaalsContact CE1-C 3.49Å; R150-E154 WeakPolarHBondContact CD-O 3.38Å; R150-E154 PolarHBondContact NH1-O 3.25Å; N152-E154 HydrophobicContact CB-CB 4.22Å; N152-E154 HydrophobicContact CB-CG 4.16Å; N152-E154 PolarHBondContact O-N 3.45Å; E154-P156 VanDerWaalsContact C-CD 3.4Å
155	P	97	Very high	98.3	Very high	88 Å²	88	59.6 Å²	59.6	57%	0.571	31%	0.313	S	S	*	.	S	Bend	trans	-58.2	-34.8	-176.3	-26.9	35.8	0	0	0	118.6	F64 R150	F64-P155 HydrophobicContact CE2-CG 4.05Å; F64-P155 HydrophobicContact CZ-CG 3.93Å; R150-P155 PolarHBondContact NH1-O 3.47Å
156	P	97.8	Very high	98.4	Very high	55 Å²	55	65 Å²	65	36%	0.357	35%	0.347	S	S	.	.			trans	-59.6	138.7	-174.6	-27.3	36.3	0	0	0	114.3	E154 Y158	E154-P156 VanDerWaalsContact C-CD 3.4Å; P156-Y158 HydrophobicContact CB-CE2 3.95Å
157	Q	98.4	Very high	98.4	Very high	36 Å²	36	71.4 Å²	71.4	17%	0.168	37%	0.371	C	S	.	.			trans	-134.7	148.2	175	-71.4	166.5	92.6	0	0	108.8	W148 W149 R150	W148-Q157 HydrophobicContact CE3-CB 3.88Å; W148-Q157 WeakPolarHBondContact CZ3-O 3.47Å; W149-Q157 CarbonylContact O-C 3.54Å; W149-Q157 WeakPolarHBondContact O-CA 3.38Å; R150-Q157 HydrophobicContact CB-CG 4.14Å; R150-Q157 HydrophobicContact CG-CG 4.46Å
158	Y	98.7	Very high	98.3	Very high	84 Å²	84	69.9 Å²	69.9	33%	0.329	36%	0.364	S	S	.	.	B	Isolated β-bridge	trans	-131	144.8	-175.4	-57.9	-86.7	0	0	0	111.1	W148 W149 P151 P156 Y160 P162	W148-Y158 CarbonylContact C-O 3.57Å; W148-Y158 VanDerWaalsContact CA-O 3.31Å; W148-Y158 WeakPolarHBondContact CA-O 3.48Å; W149-Y158 PolarHBondContact N-O 3.44Å; W149-Y158 PolarHBondContact O-N 2.8Å; P151-Y158 HydrophobicContact CG-CD2 4.08Å; P151-Y158 HydrophobicContact CG-CE2 3.79Å; P156-Y158 HydrophobicContact CB-CE2 3.95Å; Y158-Y160 WeakPolarHBondContact CB-O 3.46Å; Y158-Y160 PolarHBondContact O-N 3.27Å; Y158-P162 HydrophobicContact CD2-CG 3.71Å; Y158-P162 HydrophobicContact CE2-CG 4.29Å; Y158-P162 HydrophobicContact CG-CG 4.04Å
159	P	98.6	Very high	98.3	Very high	76 Å²	76	70.5 Å²	70.5	49%	0.494	37%	0.367	S	S	.	.	S	Bend	trans	-78.6	21.2	177.3	33.9	-35.3	0	0	0	113.1	N147 W148	N147-P159 WeakPolarHBondContact O-CA 3.38Å; W148-P159 HydrophobicContact CD2-CB 4.34Å; W148-P159 HydrophobicContact CH2-CG 4.46Å; W148-P159 HydrophobicContact CZ2-CB 4.29Å
160	Y	98.7	Very high	98.3	Very high	129 Å²	129	68.7 Å²	68.7	51%	0.506	36%	0.36	S	S	.	.	S	Bend	trans	-155.5	163.1	176.4	56.5	-90.5	0	0	0	108.5	W149 Y158 P162	W149-Y160 VanDerWaalsContact CE3-C 3.42Å; Y158-Y160 WeakPolarHBondContact CB-O 3.46Å; Y158-Y160 PolarHBondContact O-N 3.27Å; Y160-P162 HydrophobicContact CE2-CB 4.36Å; Y160-P162 HydrophobicContact CE2-CG 4.38Å; Y160-P162 VanDerWaalsContact O-CD 3.32Å; Y160-P162 WeakPolarHBondContact O-CD 3.3Å
161	I	98.7	Very high	98.3	Very high	88 Å²	88	69.9 Å²	69.9	45%	0.451	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-79.5	116.8	170.9	-59	173.9	0	0	0	107.7	W149 I165	W149-I161 HydrophobicContact CD2-CG1 3.68Å; W149-I161 HydrophobicContact CE3-CG1 4.31Å; W149-I161 HydrophobicContact CG-CG1 3.77Å; W149-I161 HydrophobicContact CZ2-CD1 4.48Å; W149-I161 HydrophobicContact CZ2-CG1 4.25Å; I161-I165 HydrophobicContact CG2-CB 4.28Å; I161-I165 HydrophobicContact CG2-CG2 4.42Å; I161-I165 VanDerWaalsContact CG2-O 3.29Å; I161-I165 WeakPolarHBondContact CG2-O 3.49Å
162	P	98.5	Very high	98.4	Very high	23 Å²	23	70.3 Å²	70.3	15%	0.149	37%	0.367	C	S	.	.	P	Polyproline II helix	trans	-62.3	155.4	-178.1	-22.1	34.1	0	0	0	112.9	P151 Y158 Y160 H164 I165	P151-P162 HydrophobicContact CB-CG 4.35Å; P151-P162 HydrophobicContact CG-CG 4.38Å; Y158-P162 HydrophobicContact CD2-CG 3.71Å; Y158-P162 HydrophobicContact CE2-CG 4.29Å; Y158-P162 HydrophobicContact CG-CG 4.04Å; Y160-P162 HydrophobicContact CE2-CB 4.36Å; Y160-P162 HydrophobicContact CE2-CG 4.38Å; Y160-P162 VanDerWaalsContact O-CD 3.32Å; Y160-P162 WeakPolarHBondContact O-CD 3.3Å; P162-H164 PolarHBondContact O-N 2.83Å; P162-I165 HydrophobicContact CB-CG1 3.87Å; P162-I165 HydrophobicContact CG-CG1 4.33Å; P162-I165 WeakPolarHBondContact O-CB 3.48Å; P162-I165 PolarHBondContact O-N 2.69Å; P162-I165 VanDerWaalsContact O-N 3.14Å
163	A	98.3	Very high	98.4	Very high	81 Å²	81	69 Å²	69	67%	0.669	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	140.3	179.9	0	0	0	0	0	111.8	I165	A163-I165 PolarHBondContact O-N 2.91Å
164	H	98.1	Very high	98.4	Very high	188 Å²	188	67.3 Å²	67.3	87%	0.87	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	1	-178.6	-44.8	-69.2	0	0	0	115.9	P162 T166	P162-H164 PolarHBondContact O-N 2.83Å; H164-T166 PolarHBondContact O-N 3.36Å
165	I	98.6	Very high	98.5	Very high	47 Å²	47	63 Å²	63	24%	0.241	33%	0.33	C	S	.	.			trans	-83.7	103.1	172.8	-58.4	-61.5	0	0	0	109.3	P151 I161 P162 A163 P168	P151-I165 HydrophobicContact CB-CD1 3.89Å; P151-I165 HydrophobicContact CB-CG1 3.87Å; P151-I165 HydrophobicContact CB-CG2 4.05Å; I161-I165 HydrophobicContact CG2-CB 4.28Å; I161-I165 HydrophobicContact CG2-CG2 4.42Å; I161-I165 VanDerWaalsContact CG2-O 3.29Å; I161-I165 WeakPolarHBondContact CG2-O 3.49Å; P162-I165 HydrophobicContact CB-CG1 3.87Å; P162-I165 HydrophobicContact CG-CG1 4.33Å; P162-I165 WeakPolarHBondContact O-CB 3.48Å; P162-I165 PolarHBondContact O-N 2.69Å; P162-I165 VanDerWaalsContact O-N 3.14Å; A163-I165 PolarHBondContact O-N 2.91Å; I165-P168 HydrophobicContact CG2-CB 4.28Å
166	T	98	Very high	98.6	Very high	126 Å²	126	58.9 Å²	58.9	77%	0.773	30%	0.303	S	S	*	.	S	Bend	trans	-93.3	-19	176.8	56.3	0	0	0	0	113.3	H164	H164-T166 PolarHBondContact O-N 3.36Å
167	K	98.3	Very high	98.6	Very high	148 Å²	148	56.3 Å²	56.3	64%	0.643	29%	0.287	S	S	*	.	S	Bend	trans	-135.7	74.2	-175.2	-65.4	-174.3	-179.7	-178	0	111.5	F71 K169	F71-K167 HydrophobicContact CZ-CB 4.31Å; K167-K169 PolarHBondContact O-NZ 3.1Å
168	P	98.6	Very high	98.6	Very high	15 Å²	15	56.5 Å²	56.5	10%	0.097	29%	0.288	C	S	.	.			trans	-61.4	150.9	172.3	25	-30.8	0	0	0	111.1	F71 M76 W149 R150 I165	F71-P168 WeakPolarHBondContact CE2-O 3.35Å; M76-P168 WeakPolarHBondContact CG-O 3.1Å; M76-P168 HydrophobicContact SD-CB 4.29Å; M76-P168 HydrophobicContact SD-CG 3.67Å; W149-P168 HydrophobicContact CB-CB 4.49Å; R150-P168 CarbonylContact O-C 3.55Å; R150-P168 WeakPolarHBondContact O-CA 3.28Å; R150-P168 WeakPolarHBondContact O-CB 3.49Å; I165-P168 HydrophobicContact CG2-CB 4.28Å
169	K	98.8	Very high	98.6	Very high	32 Å²	32	53.1 Å²	53.1	14%	0.139	28%	0.275	C	S	.	.	S	Bend	trans	-87.2	-29.1	-175.6	-52	-50.4	177.5	-74.3	0	112.9	M67 F71 R77 R150 P151 F153 K167	M67-K169 HydrophobicContact SD-CB 4.19Å; F71-K169 HydrophobicContact CD1-CD 4.35Å; F71-K169 HydrophobicContact CD2-CD 3.88Å; F71-K169 HydrophobicContact CE1-CD 4.18Å; F71-K169 HydrophobicContact CE2-CD 3.71Å; F71-K169 HydrophobicContact CG-CD 4.21Å; F71-K169 HydrophobicContact CZ-CD 3.86Å; R77-K169 PolarHBondContact N-O 3.34Å; R150-K169 PolarHBondContact O-N 2.93Å; P151-K169 PolarHBondContact O-NZ 3.47Å; F153-K169 HydrophobicContact CD1-CB 4.15Å; F153-K169 HydrophobicContact CD1-CD 4.35Å; F153-K169 HydrophobicContact CD1-CG 3.95Å; F153-K169 HydrophobicContact CD2-CD 4.34Å; F153-K169 HydrophobicContact CD2-CG 4.33Å; F153-K169 HydrophobicContact CE1-CB 4.02Å; F153-K169 HydrophobicContact CE1-CD 3.78Å; F153-K169 HydrophobicContact CE1-CG 3.84Å; F153-K169 HydrophobicContact CE2-CD 3.79Å; F153-K169 HydrophobicContact CE2-CG 4.25Å; F153-K169 HydrophobicContact CG-CG 4.2Å; F153-K169 HydrophobicContact CZ-CD 3.49Å; F153-K169 VanDerWaalsContact CZ-CD 3.49Å; F153-K169 HydrophobicContact CZ-CG 4.02Å; K167-K169 PolarHBondContact O-NZ 3.1Å
170	E	98.8	Very high	98.5	Very high	5 Å²	5	53.4 Å²	53.4	2%	0.023	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	137.2	177.7	-172	-177.6	-177	0	0	109.7	R77 T79 W149 R150	R77-E170 HydrophobicContact CB-CB 4.34Å; R77-E170 HydrophobicContact CB-CG 4.22Å; R77-E170 HydrophobicContact CG-CG 4.27Å; R77-E170 CarbonylContact O-C 3.5Å; R77-E170 VanDerWaalsContact O-CA 3.3Å; R77-E170 WeakPolarHBondContact O-CA 3.33Å; T79-E170 PolarHBondContact OG1-OE1 2.87Å; W149-E170 WeakPolarHBondContact CA-O 3.1Å; R150-E170 HydrophobicContact CB-CB 3.74Å; R150-E170 IonicContact CZ-OE2 3.4Å; R150-E170 PolarHBondContact N-O 3.31Å; R150-E170 IonicContact NE-OE2 3.12Å; R150-E170 PolarHBondContact NE-OE2 2.61Å; R150-E170 IonicContact NH2-OE2 2.74Å; R150-E170 PolarHBondContact NH2-OE2 2.83Å
171	H	98.8	Very high	98.4	Very high	28 Å²	28	52.4 Å²	52.4	13%	0.13	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	120.9	165.1	173.6	-157.8	0	0	0	108.5	M76 R77 R78 T79 N147 W149 K173	M76-H171 HydrophobicContact CE-CB 3.5Å; M76-H171 VanDerWaalsContact CE-CB 3.5Å; M76-H171 HydrophobicContact CG-CB 4.36Å; M76-H171 HydrophobicContact SD-CB 3.54Å; M76-H171 VanDerWaalsContact SD-CB 3.54Å; R77-H171 PolarHBondContact O-N 2.7Å; R78-H171 WeakPolarHBondContact CA-O 3.38Å; T79-H171 PolarHBondContact N-O 2.73Å; N147-H171 PolarHBondContact OD1-NE2 3.43Å; W149-H171 AromaticContact CD1-CD2 3.98Å; W149-H171 AromaticContact CE2-CD2 3.69Å; W149-H171 AromaticContact CE2-NE2 3.89Å; W149-H171 AromaticContact CZ2-NE2 3.79Å; W149-H171 AromaticContact NE1-CD2 3.43Å; W149-H171 PolarHBondContact NE1-CD2 2.9Å; W149-H171 AromaticContact NE1-CG 3.58Å; W149-H171 AromaticContact NE1-NE2 3.9Å; H171-K173 VanDerWaalsContact CE1-CE 3.44Å; H171-K173 WeakPolarHBondContact CE1-CE 3.37Å
172	K	98.8	Very high	98.3	Very high	17 Å²	17	54.9 Å²	54.9	7%	0.074	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.1	179.4	176.3	-177	-74	-153	0	110	T79 E81 N147 W148 L174 I211	T79-K172 HydrophobicContact CG2-CG 4.32Å; T79-K172 CarbonylContact O-C 3.6Å; T79-K172 VanDerWaalsContact O-CA 3.28Å; T79-K172 WeakPolarHBondContact O-CA 3.14Å; E81-K172 VanDerWaalsContact CD-NZ 3.27Å; E81-K172 HydrophobicContact CG-CD 4.47Å; E81-K172 WeakPolarHBondContact OE1-CE 3.4Å; E81-K172 IonicContact OE1-NZ 3.29Å; E81-K172 PolarHBondContact OE1-NZ 2.86Å; E81-K172 WeakPolarHBondContact OE2-CD 3.39Å; E81-K172 IonicContact OE2-NZ 3.36Å; E81-K172 PolarHBondContact OE2-NZ 2.85Å; N147-K172 CarbonylContact C-O 3.56Å; N147-K172 WeakPolarHBondContact CA-O 3.11Å; W148-K172 HydrophobicContact CB-CB 4.28Å; W148-K172 PolarHBondContact N-O 2.73Å; W148-K172 PolarHBondContact O-N 2.9Å; K172-L174 HydrophobicContact CD-CD1 4.03Å; K172-L174 HydrophobicContact CG-CD1 3.9Å; K172-I211 HydrophobicContact CD-CD1 3.62Å
173	K	98.8	Very high	98.1	Very high	44 Å²	44	54.2 Å²	54.2	19%	0.191	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	137	173.2	-81.8	-175.7	176.6	177.2	0	111.2	T79 V80 E81 E117 N147 H171 F175	T79-K173 PolarHBondContact O-N 3Å; V80-K173 CarbonylContact C-O 3.53Å; V80-K173 WeakPolarHBondContact CA-O 3.31Å; V80-K173 HydrophobicContact CG1-CB 4.46Å; E81-K173 PolarHBondContact N-O 2.92Å; E117-K173 VanDerWaalsContact CD-CD 3.49Å; E117-K173 WeakPolarHBondContact OE1-CD 3.45Å; E117-K173 WeakPolarHBondContact OE1-CE 3.44Å; E117-K173 IonicContact OE1-NZ 2.91Å; E117-K173 PolarHBondContact OE1-NZ 3.07Å; E117-K173 WeakPolarHBondContact OE2-CD 3.21Å; E117-K173 WeakPolarHBondContact OE2-CE 3.14Å; E117-K173 IonicContact OE2-NZ 2.87Å; E117-K173 PolarHBondContact OE2-NZ 2.77Å; N147-K173 WeakPolarHBondContact OD1-CE 3.08Å; N147-K173 VanDerWaalsContact OD1-CG 3.23Å; N147-K173 WeakPolarHBondContact OD1-CG 3.16Å; H171-K173 VanDerWaalsContact CE1-CE 3.44Å; H171-K173 WeakPolarHBondContact CE1-CE 3.37Å; K173-F175 HydrophobicContact CB-CD2 4.33Å; K173-F175 HydrophobicContact CB-CE2 3.58Å; K173-F175 HydrophobicContact CB-CZ 4.08Å; K173-F175 HydrophobicContact CD-CE2 4.3Å; K173-F175 HydrophobicContact CD-CZ 3.99Å
174	L	98.8	Very high	97.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.3	173.2	-82.8	65.8	0	0	0	109.6	E81 V83 L106 I145 G146 K172 I211 L215	E81-L174 HydrophobicContact CB-CD1 4.43Å; E81-L174 HydrophobicContact CB-CG 4.31Å; E81-L174 WeakPolarHBondContact O-CA 3.43Å; V83-L174 HydrophobicContact CG2-CD2 4.48Å; L106-L174 HydrophobicContact CD1-CD2 4.07Å; L106-L174 HydrophobicContact CD1-CG 4.32Å; I145-L174 HydrophobicContact CD1-CB 4.01Å; I145-L174 HydrophobicContact CD1-CD2 4.43Å; I145-L174 HydrophobicContact CG1-CB 3.55Å; I145-L174 WeakPolarHBondContact CG1-O 3.08Å; I145-L174 PolarHBondContact N-O 2.84Å; G146-L174 PolarHBondContact O-N 2.97Å; K172-L174 HydrophobicContact CD-CD1 4.03Å; K172-L174 HydrophobicContact CG-CD1 3.9Å; L174-I211 HydrophobicContact CD1-CG2 4.1Å; L174-I211 HydrophobicContact CD2-CG2 3.66Å; L174-I211 HydrophobicContact CG-CG2 4.48Å; L174-L215 HydrophobicContact CD2-CD2 3.84Å
175	F	98.9	Very high	97.8	Very high	13 Å²	13	44 Å²	44	6%	0.057	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.8	176.6	-62	-92.5	0	0	0	110.9	V80 E81 V83 E117 V118 L121 I141 D143 C144 K173	V80-F175 HydrophobicContact CB-CE2 4.33Å; V80-F175 HydrophobicContact CG1-CE2 3.97Å; E81-F175 PolarHBondContact O-N 3.06Å; V83-F175 PolarHBondContact N-O 2.87Å; E117-F175 HydrophobicContact CB-CE2 4.41Å; E117-F175 HydrophobicContact CB-CZ 4.09Å; V118-F175 HydrophobicContact CG2-CE1 4.39Å; L121-F175 HydrophobicContact CD2-CB 3.73Å; L121-F175 HydrophobicContact CD2-CD2 3.74Å; L121-F175 HydrophobicContact CD2-CG 4.03Å; I141-F175 HydrophobicContact CG2-CB 3.59Å; I141-F175 HydrophobicContact CG2-CD1 4.04Å; I141-F175 HydrophobicContact CG2-CG 3.98Å; D143-F175 CarbonylContact O-C 3.52Å; D143-F175 VanDerWaalsContact O-CA 3.25Å; D143-F175 WeakPolarHBondContact O-CA 3.43Å; C144-F175 HydrophobicContact CB-CD1 4.15Å; C144-F175 HydrophobicContact CB-CE1 4.06Å; K173-F175 HydrophobicContact CB-CD2 4.33Å; K173-F175 HydrophobicContact CB-CE2 3.58Å; K173-F175 HydrophobicContact CB-CZ 4.08Å; K173-F175 HydrophobicContact CD-CE2 4.3Å; K173-F175 HydrophobicContact CD-CZ 3.99Å
176	L	98.8	Very high	97.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	124.4	168.1	-176.2	154.2	0	0	0	108.5	I37 I85 D143 I145 Q178 L219 F222	I37-L176 HydrophobicContact CD1-CD2 3.98Å; I37-L176 HydrophobicContact CG1-CD1 4.34Å; I37-L176 HydrophobicContact CG1-CD2 4.37Å; I37-L176 HydrophobicContact CG2-CD2 4.14Å; I85-L176 HydrophobicContact CD1-CD1 3.78Å; I85-L176 HydrophobicContact CD1-CG 4.33Å; D143-L176 HydrophobicContact CB-CB 4.03Å; D143-L176 PolarHBondContact O-N 2.77Å; I145-L176 HydrophobicContact CG2-CB 3.79Å; L176-Q178 HydrophobicContact CD2-CG 3.61Å; L176-L219 HydrophobicContact CD1-CD2 4.01Å; L176-F222 HydrophobicContact CB-CZ 4.43Å; L176-F222 HydrophobicContact CD1-CD1 4.34Å; L176-F222 HydrophobicContact CD1-CD2 3.98Å; L176-F222 HydrophobicContact CD1-CE1 4.01Å; L176-F222 HydrophobicContact CD1-CE2 3.65Å; L176-F222 HydrophobicContact CD1-CG 4.31Å; L176-F222 HydrophobicContact CD1-CZ 3.64Å
177	V	98.7	Very high	97.6	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.9	178.8	-175.9	0	0	0	0	108	V83 L84 L121 M125 W139 I141 L179	V83-V177 PolarHBondContact O-N 2.86Å; L84-V177 HydrophobicContact CD2-CG1 4.48Å; L84-V177 HydrophobicContact CG-CB 4.25Å; L121-V177 HydrophobicContact CD2-CG2 4.37Å; M125-V177 HydrophobicContact CE-CG1 4.23Å; M125-V177 HydrophobicContact CE-CG2 4.27Å; W139-V177 HydrophobicContact CE3-CG1 3.75Å; W139-V177 HydrophobicContact CZ3-CG1 4.44Å; I141-V177 HydrophobicContact CD1-CG2 4.24Å; I141-V177 HydrophobicContact CG1-CG1 4.25Å; I141-V177 HydrophobicContact CG1-CG2 4.18Å; V177-L179 PolarHBondContact O-N 2.95Å
178	Q	98.6	Very high	97.5	Very high	39 Å²	39	29.6 Å²	29.6	18%	0.182	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	123.7	-179.9	-66.1	177.2	76.4	0	0	109.4	I37 V140 D142 L176	I37-Q178 HydrophobicContact CD1-CG 4.01Å; I37-Q178 HydrophobicContact CG2-CG 4.43Å; V140-Q178 HydrophobicContact CB-CB 4.08Å; V140-Q178 HydrophobicContact CG1-CB 4.16Å; V140-Q178 PolarHBondContact O-N 3.29Å; D142-Q178 PolarHBondContact OD2-NE2 2.95Å; L176-Q178 HydrophobicContact CD2-CG 3.61Å
179	L	97.9	Very high	97.3	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.068	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-85.1	146	178.2	-71.4	178.4	0	0	0	111.1	Y40 Y45 L84 V86 L95 W139 V177 F185	Y40-L179 WeakPolarHBondContact CE2-O 3.21Å; Y45-L179 HydrophobicContact CD1-CD1 4.41Å; Y45-L179 HydrophobicContact CE1-CB 4Å; Y45-L179 HydrophobicContact CE1-CD1 3.79Å; Y45-L179 HydrophobicContact CE1-CG 4.36Å; Y45-L179 HydrophobicContact CE2-CD1 4.27Å; Y45-L179 VanDerWaalsContact OH-CB 3.29Å; Y45-L179 WeakPolarHBondContact OH-CB 3.47Å; L84-L179 HydrophobicContact CB-CD1 4.14Å; L84-L179 HydrophobicContact CB-CG 4.36Å; L84-L179 HydrophobicContact CD2-CD1 4.38Å; L84-L179 HydrophobicContact CD2-CD2 3.53Å; L84-L179 HydrophobicContact CD2-CG 4.16Å; V86-L179 HydrophobicContact CG1-CD1 3.81Å; L95-L179 HydrophobicContact CD1-CD1 4.34Å; W139-L179 HydrophobicContact CZ3-CD2 4.3Å; V177-L179 PolarHBondContact O-N 2.95Å; L179-F185 HydrophobicContact CD1-CZ 4.19Å; L179-F185 HydrophobicContact CD2-CE1 4.16Å; L179-F185 HydrophobicContact CD2-CZ 3.7Å
180	Q	97.1	Very high	97.1	Very high	82 Å²	82	35.6 Å²	35.6	38%	0.383	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-67	164.5	165.3	-58.8	-59.6	-30.9	0	0	110.1	Y45 K182	Y45-Q180 WeakPolarHBondContact CE1-O 3.45Å; Y45-Q180 PolarHBondContact OH-O 2.92Å; Q180-K182 PolarHBondContact O-N 3.46Å; Q180-K182 VanDerWaalsContact O-N 3.17Å
181	E	97.1	Very high	97	Very high	108 Å²	108	36.3 Å²	36.3	51%	0.505	17%	0.171	S	C	.	.	S	Bend	trans	-54.6	-37.2	-179.6	-174.7	-173.2	158.7	0	0	112.4	Y40 N44	Y40-E181 HydrophobicContact CD1-CB 4.02Å; Y40-E181 HydrophobicContact CD1-CG 3.67Å; Y40-E181 HydrophobicContact CE1-CB 3.76Å; Y40-E181 HydrophobicContact CE1-CG 3.7Å; Y40-E181 HydrophobicContact CE2-CB 4.4Å; Y40-E181 HydrophobicContact CG-CB 4.44Å; Y40-E181 HydrophobicContact CG-CG 4.36Å; N44-E181 WeakPolarHBondContact CB-O 3.13Å; N44-E181 PolarHBondContact ND2-O 2.96Å
182	K	95.9	Very high	96.8	Very high	141 Å²	141	41.3 Å²	41.3	61%	0.613	19%	0.192	S	C	*	.	S	Bend	trans	-136.2	142	176.3	-62.1	179.8	-176.1	176.5	0	109.5	N44 Q180	N44-K182 HydrophobicContact CB-CG 4.21Å; Q180-K182 PolarHBondContact O-N 3.46Å; Q180-K182 VanDerWaalsContact O-N 3.17Å
183	A	94.5	Very high	96.8	Very high	9 Å²	9	41.5 Å²	41.5	7%	0.074	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	156.9	171.3	0	0	0	0	0	111.2	Y45 T46 F185	Y45-A183 WeakPolarHBondContact CA-O 3.49Å; Y45-A183 HydrophobicContact CD1-CB 3.92Å; Y45-A183 HydrophobicContact CE1-CB 4.13Å; T46-A183 PolarHBondContact N-O 2.81Å; T46-A183 PolarHBondContact OG1-O 3.24Å; A183-F185 HydrophobicContact CB-CE1 4.35Å; A183-F185 HydrophobicContact CB-CZ 4.19Å
184	L	94.3	Very high	96.7	Very high	52 Å²	52	40.8 Å²	40.8	27%	0.272	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.7	169.2	173.3	69.9	0	0	0	107.9	T46 R131	T46-L184 WeakPolarHBondContact OG1-CA 3.29Å; T46-L184 WeakPolarHBondContact OG1-CD1 3.44Å; R131-L184 HydrophobicContact CG-CB 4.36Å; R131-L184 HydrophobicContact CG-CD2 4.14Å; R131-L184 HydrophobicContact CG-CG 4.23Å; R131-L184 WeakPolarHBondContact CG-O 3.11Å
185	F	95.9	Very high	96.7	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.7	172.9	-57.4	-63.2	0	0	0	110	Y45 T46 F47 G48 L84 L95 L129 W139 L179 A183 V187 L193	Y45-F185 AromaticContact CD1-CE2 3.75Å; Y45-F185 HydrophobicContact CD1-CE2 3.75Å; Y45-F185 HydrophobicContact CD1-CZ 4.08Å; Y45-F185 HydrophobicContact CG-CE2 4.04Å; T46-F185 PolarHBondContact O-N 3.49Å; F47-F185 CarbonylContact C-O 3.57Å; F47-F185 HydrophobicContact CD1-CB 4.25Å; F47-F185 AromaticContact CD1-CD2 3.87Å; F47-F185 HydrophobicContact CD1-CD2 3.87Å; F47-F185 AromaticContact CE1-CD2 3.61Å; F47-F185 HydrophobicContact CE1-CD2 3.61Å; F47-F185 HydrophobicContact CE1-CE2 4.21Å; G48-F185 PolarHBondContact N-O 2.75Å; L84-F185 HydrophobicContact CD2-CE1 4.37Å; L84-F185 HydrophobicContact CD2-CZ 4.39Å; L95-F185 HydrophobicContact CD1-CE2 4.06Å; L95-F185 HydrophobicContact CD1-CZ 4.38Å; L129-F185 HydrophobicContact CB-CD1 4.06Å; L129-F185 HydrophobicContact CD1-CD1 4.34Å; L129-F185 WeakPolarHBondContact O-CA 3.28Å; W139-F185 HydrophobicContact CH2-CD1 4.18Å; W139-F185 AromaticContact CH2-CE1 3.82Å; W139-F185 HydrophobicContact CH2-CE1 3.82Å; W139-F185 HydrophobicContact CZ3-CE1 4.05Å; L179-F185 HydrophobicContact CD1-CZ 4.19Å; L179-F185 HydrophobicContact CD2-CE1 4.16Å; L179-F185 HydrophobicContact CD2-CZ 3.7Å; A183-F185 HydrophobicContact CB-CE1 4.35Å; A183-F185 HydrophobicContact CB-CZ 4.19Å; F185-V187 HydrophobicContact CB-CG2 4.42Å; F185-L193 HydrophobicContact CB-CD2 4.34Å; F185-L193 HydrophobicContact CD2-CD2 4.21Å; F185-L193 HydrophobicContact CG-CD2 4.37Å
186	A	95.9	Very high	96.6	Very high	10 Å²	10	41.7 Å²	41.7	8%	0.083	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	102.5	169.6	0	0	0	0	0	109.2	K50 L129 G130	K50-A186 HydrophobicContact CB-CB 4.32Å; K50-A186 HydrophobicContact CD-CB 4.02Å; K50-A186 WeakPolarHBondContact CD-O 3.43Å; K50-A186 WeakPolarHBondContact CE-O 3.44Å; K50-A186 HydrophobicContact CG-CB 4.31Å; K50-A186 PolarHBondContact NZ-O 3.37Å; L129-A186 PolarHBondContact O-N 2.97Å; G130-A186 WeakPolarHBondContact O-CB 3.45Å
187	V	96.3	Very high	96.6	Very high	9 Å²	9	42.2 Å²	42.2	6%	0.055	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	131.6	-174.4	-173	0	0	0	0	109.7	G48 T49 K50 L129 F185 K189 L193	G48-V187 PolarHBondContact O-N 2.95Å; T49-V187 CarbonylContact C-O 3.59Å; T49-V187 VanDerWaalsContact CA-O 3.29Å; T49-V187 WeakPolarHBondContact CA-O 3.36Å; K50-V187 PolarHBondContact N-O 2.82Å; L129-V187 HydrophobicContact CD2-CG2 4.26Å; F185-V187 HydrophobicContact CB-CG2 4.42Å; V187-K189 PolarHBondContact O-N 3.4Å; V187-L193 HydrophobicContact CG1-CB 4.17Å; V187-L193 HydrophobicContact CG2-CB 3.77Å; V187-L193 HydrophobicContact CG2-CD2 3.9Å
188	P	96.4	Very high	96.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	134.9	175.8	-19.6	30.8	0	0	0	111	K50 E51 L53 I128 N190 Y191	K50-P188 HydrophobicContact CG-CG 4.5Å; E51-P188 WeakPolarHBondContact O-CB 3.38Å; L53-P188 HydrophobicContact CB-CB 3.76Å; L53-P188 HydrophobicContact CB-CG 3.72Å; L53-P188 HydrophobicContact CD2-CG 4.39Å; I128-P188 WeakPolarHBondContact O-CD 3.37Å; P188-N190 WeakPolarHBondContact CB-OD1 3.26Å; P188-N190 PolarHBondContact O-N 3.12Å; P188-Y191 HydrophobicContact CB-CD2 4.14Å; P188-Y191 HydrophobicContact CG-CD2 4.33Å; P188-Y191 PolarHBondContact O-N 2.74Å; P188-Y191 VanDerWaalsContact O-O 3.09Å
189	K	95.3	Very high	96.6	Very high	122 Å²	122	48.6 Å²	48.6	53%	0.53	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-24.6	-172.9	-79.6	161	-174.6	169.8	0	115.5	K50 E51 V187 Y191	K50-K189 WeakPolarHBondContact O-CG 3.48Å; K50-K189 PolarHBondContact O-N 2.73Å; E51-K189 IonicContact OE1-NZ 3.12Å; E51-K189 PolarHBondContact OE1-NZ 3.39Å; V187-K189 PolarHBondContact O-N 3.4Å; K189-Y191 VanDerWaalsContact C-N 3.32Å
190	N	94	Very high	96.6	Very high	52 Å²	52	51.9 Å²	51.9	28%	0.278	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.3	177.2	63	-48.1	0	0	0	113.7	P52 L53 L99 P188	P52-N190 WeakPolarHBondContact CA-OD1 3.38Å; P52-N190 HydrophobicContact CB-CB 4.05Å; P52-N190 WeakPolarHBondContact CB-OD1 3.25Å; L53-N190 PolarHBondContact N-OD1 2.99Å; L53-N190 PolarHBondContact O-ND2 2.69Å; L99-N190 WeakPolarHBondContact CD1-O 3.45Å; P188-N190 WeakPolarHBondContact CB-OD1 3.26Å; P188-N190 PolarHBondContact O-N 3.12Å
191	Y	96.1	Very high	96.7	Very high	20 Å²	20	48 Å²	48	8%	0.078	23%	0.232	C	C	.	.			trans	-110.9	150.7	175.1	-76.3	-81.1	0	0	0	110.9	L53 E55 L97 Q98 L99 P188 K189	L53-Y191 WeakPolarHBondContact O-CE2 3.46Å; E55-Y191 PolarHBondContact OE1-OH 3.09Å; L97-Y191 HydrophobicContact CB-CD1 3.76Å; L97-Y191 HydrophobicContact CB-CE1 4.16Å; L97-Y191 HydrophobicContact CD2-CG 4.49Å; Q98-Y191 WeakPolarHBondContact O-CA 3.42Å; L99-Y191 HydrophobicContact CB-CD1 4.1Å; L99-Y191 HydrophobicContact CB-CE1 3.82Å; L99-Y191 HydrophobicContact CD1-CD1 3.38Å; L99-Y191 HydrophobicContact CD1-CD2 3.99Å; L99-Y191 HydrophobicContact CD1-CE1 3.26Å; L99-Y191 HydrophobicContact CD1-CE2 3.89Å; L99-Y191 HydrophobicContact CD1-CG 3.76Å; L99-Y191 HydrophobicContact CD2-CE1 3.96Å; L99-Y191 HydrophobicContact CG-CD1 4.25Å; L99-Y191 HydrophobicContact CG-CE1 3.85Å; P188-Y191 HydrophobicContact CB-CD2 4.14Å; P188-Y191 HydrophobicContact CG-CD2 4.33Å; P188-Y191 PolarHBondContact O-N 2.74Å; P188-Y191 VanDerWaalsContact O-O 3.09Å; K189-Y191 VanDerWaalsContact C-N 3.32Å
192	K	95.9	Very high	96.8	Very high	132 Å²	132	49.3 Å²	49.3	57%	0.574	23%	0.233	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	128.8	165.2	-175.8	-177.1	178.4	-172.1	0	108.9	Q98 V194	Q98-K192 HydrophobicContact CB-CB 4.32Å; Q98-K192 PolarHBondContact N-O 3.41Å; Q98-K192 PolarHBondContact O-N 2.87Å; K192-V194 HydrophobicContact CD-CG1 3.94Å; K192-V194 HydrophobicContact CG-CG1 3.94Å
193	L	96.9	Very high	96.8	Very high	22 Å²	22	48.9 Å²	48.9	12%	0.115	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.5	171.8	-169.4	55.7	0	0	0	108.5	F47 L95 L96 L97 L129 F185 V187	F47-L193 HydrophobicContact CD1-CB 4.47Å; F47-L193 HydrophobicContact CD1-CD2 3.67Å; F47-L193 HydrophobicContact CD1-CG 4.37Å; F47-L193 HydrophobicContact CE1-CD2 3.55Å; F47-L193 HydrophobicContact CE1-CG 4.14Å; L95-L193 HydrophobicContact CB-CD1 4.01Å; L96-L193 WeakPolarHBondContact O-CA 3.41Å; L96-L193 WeakPolarHBondContact O-CD1 3.5Å; L97-L193 HydrophobicContact CD2-CD1 4.1Å; L129-L193 HydrophobicContact CD2-CD2 4.1Å; F185-L193 HydrophobicContact CB-CD2 4.34Å; F185-L193 HydrophobicContact CD2-CD2 4.21Å; F185-L193 HydrophobicContact CG-CD2 4.37Å; V187-L193 HydrophobicContact CG1-CB 4.17Å; V187-L193 HydrophobicContact CG2-CB 3.77Å; V187-L193 HydrophobicContact CG2-CD2 3.9Å
194	V	97.4	Very high	97	Very high	29 Å²	29	51 Å²	51	18%	0.176	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	148	-179.6	-60.1	0	0	0	0	110.1	L95 L96 Q98 F104 K192	L95-V194 CarbonylContact C-O 3.59Å; L95-V194 WeakPolarHBondContact CA-O 3.47Å; L96-V194 HydrophobicContact CB-CG2 3.95Å; L96-V194 PolarHBondContact N-O 2.58Å; L96-V194 PolarHBondContact O-N 3.23Å; Q98-V194 HydrophobicContact CB-CG1 4.31Å; Q98-V194 HydrophobicContact CB-CG2 4.45Å; F104-V194 HydrophobicContact CD1-CG2 4.27Å; F104-V194 HydrophobicContact CE1-CG2 4.08Å; K192-V194 HydrophobicContact CD-CG1 3.94Å; K192-V194 HydrophobicContact CG-CG1 3.94Å
195	A	98.3	Very high	97.1	Very high	30 Å²	30	50.6 Å²	50.6	25%	0.248	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	108	172.9	0	0	0	0	0	108.2	L42 V86 H93 L95	L42-A195 HydrophobicContact CD1-CB 4.05Å; L42-A195 HydrophobicContact CD2-CB 3.98Å; V86-A195 HydrophobicContact CG2-CB 4.35Å; H93-A195 HydrophobicContact CB-CB 3.9Å; L95-A195 HydrophobicContact CD2-CB 3.86Å
196	A	98.4	Very high	97.2	Very high	2 Å²	2	56.6 Å²	56.6	2%	0.017	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	119.1	-177.7	0	0	0	0	0	110.4	H93 V94 L96 L201	H93-A196 CarbonylContact C-O 3.53Å; H93-A196 VanDerWaalsContact CA-O 3.28Å; H93-A196 WeakPolarHBondContact CA-O 3.5Å; V94-A196 PolarHBondContact N-O 2.86Å; V94-A196 PolarHBondContact O-N 3.24Å; L96-A196 HydrophobicContact CD1-CB 3.83Å; L96-A196 HydrophobicContact CG-CB 4.45Å; A196-L201 HydrophobicContact CB-CD1 4.44Å; A196-L201 HydrophobicContact CB-CD2 3.75Å; A196-L201 HydrophobicContact CB-CG 4.22Å
197	P	98.6	Very high	97.2	Very high	11 Å²	11	57.7 Å²	57.7	7%	0.071	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	148.7	177.5	24.8	-30	0	0	0	111.3	H93 F199 E200 L201	H93-P197 VanDerWaalsContact CD2-N 3.33Å; H93-P197 WeakPolarHBondContact NE2-CB 3.45Å; P197-F199 HydrophobicContact CB-CD1 3.75Å; P197-F199 HydrophobicContact CB-CE1 3.36Å; P197-F199 HydrophobicContact CB-CE2 4.28Å; P197-F199 HydrophobicContact CB-CG 4.37Å; P197-F199 HydrophobicContact CB-CZ 3.65Å; P197-F199 HydrophobicContact CG-CD1 4.27Å; P197-F199 HydrophobicContact CG-CD2 4.35Å; P197-F199 HydrophobicContact CG-CE1 3.67Å; P197-F199 HydrophobicContact CG-CE2 3.73Å; P197-F199 HydrophobicContact CG-CZ 3.35Å; P197-F199 PolarHBondContact O-N 3.47Å; P197-F199 VanDerWaalsContact O-N 3.1Å; P197-E200 WeakPolarHBondContact CD-OE2 3.38Å; P197-E200 HydrophobicContact CG-CB 3.98Å; P197-E200 WeakPolarHBondContact O-CB 3.19Å; P197-E200 PolarHBondContact O-N 3.19Å; P197-L201 PolarHBondContact O-N 2.71Å
198	L	98.7	Very high	97.3	Very high	33 Å²	33	58.3 Å²	58.3	17%	0.173	31%	0.305	C	S	.	.	H	α-helix	trans	-56.2	-33.3	-177.1	-63.9	-176.1	0	0	0	114	P92 V94 E200 L201 Y202 P216 L219	P92-L198 HydrophobicContact CB-CD1 3.88Å; P92-L198 HydrophobicContact CB-CG 4.09Å; P92-L198 HydrophobicContact CG-CD1 4.04Å; P92-L198 PolarHBondContact O-N 3.3Å; V94-L198 HydrophobicContact CG2-CD2 3.89Å; L198-E200 VanDerWaalsContact C-N 3.27Å; L198-E200 PolarHBondContact O-N 3.42Å; L198-L201 PolarHBondContact O-N 3.46Å; L198-Y202 WeakPolarHBondContact O-CB 3.22Å; L198-Y202 PolarHBondContact O-N 3.42Å; L198-P216 HydrophobicContact CB-CB 4.23Å; L198-P216 HydrophobicContact CB-CG 4.1Å; L198-P216 HydrophobicContact CD2-CG 4.23Å; L198-P216 VanDerWaalsContact O-CG 3.23Å; L198-P216 WeakPolarHBondContact O-CG 3.44Å; L198-L219 HydrophobicContact CD2-CD1 3.88Å
199	F	98.2	Very high	97.3	Very high	143 Å²	143	59.5 Å²	59.5	63%	0.627	32%	0.317	S	S	*	.	H	α-helix	trans	-69.4	-23.4	179.3	64.2	-105.3	0	0	0	113.3	L91 P197	L91-F199 HydrophobicContact CD1-CE1 4.34Å; P197-F199 HydrophobicContact CB-CD1 3.75Å; P197-F199 HydrophobicContact CB-CE1 3.36Å; P197-F199 HydrophobicContact CB-CE2 4.28Å; P197-F199 HydrophobicContact CB-CG 4.37Å; P197-F199 HydrophobicContact CB-CZ 3.65Å; P197-F199 HydrophobicContact CG-CD1 4.27Å; P197-F199 HydrophobicContact CG-CD2 4.35Å; P197-F199 HydrophobicContact CG-CE1 3.67Å; P197-F199 HydrophobicContact CG-CE2 3.73Å; P197-F199 HydrophobicContact CG-CZ 3.35Å; P197-F199 PolarHBondContact O-N 3.47Å; P197-F199 VanDerWaalsContact O-N 3.1Å
200	E	98.3	Very high	97.4	Very high	81 Å²	81	57 Å²	57	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-78.5	-30.7	175.8	-172.7	-177.6	165.7	0	0	111.4	P197 L198 N204 Y208	P197-E200 WeakPolarHBondContact CD-OE2 3.38Å; P197-E200 HydrophobicContact CG-CB 3.98Å; P197-E200 WeakPolarHBondContact O-CB 3.19Å; P197-E200 PolarHBondContact O-N 3.19Å; L198-E200 VanDerWaalsContact C-N 3.27Å; L198-E200 PolarHBondContact O-N 3.42Å; E200-N204 WeakPolarHBondContact O-CB 3.2Å; E200-N204 PolarHBondContact O-ND2 3.31Å; E200-N204 VanDerWaalsContact O-ND2 3.1Å; E200-Y208 VanDerWaalsContact CD-OH 3.23Å; E200-Y208 HydrophobicContact CG-CE2 3.99Å; E200-Y208 PolarHBondContact OE1-OH 3.23Å
201	L	98.5	Very high	97.6	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-80.1	-38	178.3	-54.8	-174.1	0	0	0	112	V94 L96 A196 P197 L198 D203 N204 Y208 I212 S213 P216	V94-L201 HydrophobicContact CB-CD1 4.08Å; V94-L201 HydrophobicContact CG2-CD1 4.06Å; L96-L201 HydrophobicContact CD1-CD2 4.06Å; A196-L201 HydrophobicContact CB-CD1 4.44Å; A196-L201 HydrophobicContact CB-CD2 3.75Å; A196-L201 HydrophobicContact CB-CG 4.22Å; P197-L201 PolarHBondContact O-N 2.71Å; L198-L201 PolarHBondContact O-N 3.46Å; L201-D203 PolarHBondContact O-N 2.99Å; L201-N204 PolarHBondContact O-N 3.36Å; L201-N204 VanDerWaalsContact O-N 3.11Å; L201-Y208 HydrophobicContact CD2-CD1 3.62Å; L201-Y208 HydrophobicContact CD2-CD2 3.81Å; L201-Y208 HydrophobicContact CD2-CE1 3.61Å; L201-Y208 HydrophobicContact CD2-CE2 3.82Å; L201-Y208 HydrophobicContact CD2-CG 3.72Å; L201-I212 HydrophobicContact CD1-CG2 4.1Å; L201-I212 HydrophobicContact CD2-CG2 3.88Å; L201-I212 HydrophobicContact CG-CG2 4.49Å; L201-S213 WeakPolarHBondContact O-CA 3.19Å; L201-S213 VanDerWaalsContact O-CB 3.28Å; L201-S213 WeakPolarHBondContact O-CB 3.35Å; L201-P216 HydrophobicContact CB-CG 4.01Å
202	Y	98.5	Very high	97.7	Very high	136 Å²	136	54.6 Å²	54.6	53%	0.533	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	125.1	-172.5	-179.4	-102.9	0	0	0	111.8	L198 N204 P216 Q217	L198-Y202 WeakPolarHBondContact O-CB 3.22Å; L198-Y202 PolarHBondContact O-N 3.42Å; Y202-N204 PolarHBondContact O-N 3.26Å; Y202-N204 VanDerWaalsContact O-N 3.09Å; Y202-P216 HydrophobicContact CD2-CB 4.06Å; Y202-P216 HydrophobicContact CD2-CG 4.47Å; Y202-Q217 HydrophobicContact CE2-CG 4.38Å
203	D	96.8	Very high	97.9	Very high	132 Å²	132	48.8 Å²	48.8	71%	0.706	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	21.4	178.9	-156.7	28	0	0	0	114.5	L201	L201-D203 PolarHBondContact O-N 2.99Å
204	N	97.9	Very high	98	Very high	54 Å²	54	48.9 Å²	48.9	29%	0.289	28%	0.28	S	S	.	.			trans	-109.6	50.5	-179.4	-167.9	3.2	0	0	0	112.2	E200 L201 Y202 P206 G207 Y208	E200-N204 WeakPolarHBondContact O-CB 3.2Å; E200-N204 PolarHBondContact O-ND2 3.31Å; E200-N204 VanDerWaalsContact O-ND2 3.1Å; L201-N204 PolarHBondContact O-N 3.36Å; L201-N204 VanDerWaalsContact O-N 3.11Å; Y202-N204 PolarHBondContact O-N 3.26Å; Y202-N204 VanDerWaalsContact O-N 3.09Å; N204-P206 VanDerWaalsContact C-N 3.3Å; N204-G207 PolarHBondContact O-N 3.37Å; N204-G207 PolarHBondContact OD1-N 2.91Å; N204-G207 VanDerWaalsContact OD1-N 3.16Å; N204-Y208 HydrophobicContact CB-CD2 4.14Å; N204-Y208 PolarHBondContact O-N 2.82Å
205	A	97.4	Very high	98	Very high	43 Å²	43	47.5 Å²	47.5	36%	0.355	27%	0.271	S	S	.	.	H	α-helix	trans	-58.6	-32.8	173.9	0	0	0	0	0	113.8	G207 G209	A205-G207 VanDerWaalsContact C-N 3.32Å; A205-G207 PolarHBondContact O-N 2.79Å; A205-G209 WeakPolarHBondContact O-CA 3.36Å; A205-G209 PolarHBondContact O-N 3.01Å
206	P	96.8	Very high	98	Very high	128 Å²	128	46.9 Å²	46.9	83%	0.831	27%	0.265	S	S	*	.	H	α-helix	trans	-61.2	-36.3	174.7	-26	36.6	0	0	0	113.8	N204	N204-P206 VanDerWaalsContact C-N 3.3Å
207	G	96.4	Very high	98.1	Very high	32 Å²	32	51.1 Å²	51.1	33%	0.33	28%	0.284	S	S	.	.	H	α-helix	trans	-87.1	-39.7	179.3	0	0	0	0	0	114	N204 A205	N204-G207 PolarHBondContact O-N 3.37Å; N204-G207 PolarHBondContact OD1-N 2.91Å; N204-G207 VanDerWaalsContact OD1-N 3.16Å; A205-G207 VanDerWaalsContact C-N 3.32Å; A205-G207 PolarHBondContact O-N 2.79Å
208	Y	97.8	Very high	98.1	Very high	23 Å²	23	53 Å²	53	9%	0.09	29%	0.294	C	S	.	.	H	α-helix	trans	-113.5	-5.5	-168.4	-72.4	-77.4	0	0	0	114.4	L96 F104 E200 L201 N204 I212	L96-Y208 HydrophobicContact CD1-CD1 3.91Å; L96-Y208 HydrophobicContact CD1-CE1 3.73Å; F104-Y208 HydrophobicContact CB-CD1 4.08Å; F104-Y208 HydrophobicContact CB-CE1 4.32Å; F104-Y208 HydrophobicContact CD1-CE1 4.01Å; F104-Y208 AromaticContact CD2-CD1 3.85Å; F104-Y208 HydrophobicContact CD2-CD1 3.85Å; F104-Y208 AromaticContact CD2-CE1 3.68Å; F104-Y208 HydrophobicContact CD2-CE1 3.68Å; F104-Y208 HydrophobicContact CE1-CE1 4.21Å; F104-Y208 HydrophobicContact CE2-CD1 4.45Å; F104-Y208 AromaticContact CE2-CE1 3.91Å; F104-Y208 HydrophobicContact CE2-CE1 3.91Å; F104-Y208 AromaticContact CG-CD1 3.93Å; F104-Y208 HydrophobicContact CG-CD1 3.93Å; F104-Y208 AromaticContact CG-CE1 3.73Å; F104-Y208 HydrophobicContact CG-CE1 3.73Å; F104-Y208 HydrophobicContact CZ-CE1 4.17Å; E200-Y208 VanDerWaalsContact CD-OH 3.23Å; E200-Y208 HydrophobicContact CG-CE2 3.99Å; E200-Y208 PolarHBondContact OE1-OH 3.23Å; L201-Y208 HydrophobicContact CD2-CD1 3.62Å; L201-Y208 HydrophobicContact CD2-CD2 3.81Å; L201-Y208 HydrophobicContact CD2-CE1 3.61Å; L201-Y208 HydrophobicContact CD2-CE2 3.82Å; L201-Y208 HydrophobicContact CD2-CG 3.72Å; N204-Y208 HydrophobicContact CB-CD2 4.14Å; N204-Y208 PolarHBondContact O-N 2.82Å; Y208-I212 HydrophobicContact CD1-CG2 3.94Å; Y208-I212 HydrophobicContact CG-CG2 4.19Å; Y208-I212 WeakPolarHBondContact O-CB 3.48Å
209	G	97.4	Very high	98.1	Very high	25 Å²	25	51.5 Å²	51.5	26%	0.258	29%	0.286	S	S	.	.	H	α-helix	trans	72.7	164.6	-171.4	0	0	0	0	0	112.8	A205 I211 S213	A205-G209 WeakPolarHBondContact O-CA 3.36Å; A205-G209 PolarHBondContact O-N 3.01Å; G209-I211 VanDerWaalsContact C-N 3.25Å; G209-I211 PolarHBondContact O-N 3.08Å; G209-I211 VanDerWaalsContact O-N 3.17Å; G209-S213 WeakPolarHBondContact O-CB 3.17Å; G209-S213 PolarHBondContact O-N 3.02Å; G209-S213 VanDerWaalsContact O-N 3.12Å; G209-S213 PolarHBondContact O-OG 3.11Å
210	P	97.6	Very high	98.1	Very high	70 Å²	70	49.3 Å²	49.3	46%	0.455	29%	0.289	S	S	.	.	H	α-helix	trans	-67.7	-22.2	-167	27.4	-36.8	0	0	0	114.3	W148 S214	W148-P210 HydrophobicContact CH2-CB 3.89Å; W148-P210 WeakPolarHBondContact CH2-O 3.49Å; W148-P210 WeakPolarHBondContact CZ2-O 3.4Å; W148-P210 HydrophobicContact CZ3-CB 4.12Å; W148-P210 HydrophobicContact CZ3-CG 4.34Å; P210-S214 WeakPolarHBondContact O-CB 3.47Å; P210-S214 PolarHBondContact O-OG 3.03Å
211	I	98.3	Very high	98	Very high	11 Å²	11	51.3 Å²	51.3	6%	0.056	29%	0.293	C	S	.	.	H	α-helix	trans	-79.2	-58.7	-178.8	-55.3	-171.8	0	0	0	109.9	W148 K172 L174 G209 S213 S214	W148-I211 HydrophobicContact CB-CD1 4.3Å; W148-I211 HydrophobicContact CD2-CD1 4Å; W148-I211 HydrophobicContact CD2-CG1 3.69Å; W148-I211 HydrophobicContact CE3-CD1 4.36Å; W148-I211 HydrophobicContact CE3-CG1 3.95Å; W148-I211 HydrophobicContact CG-CD1 3.95Å; W148-I211 HydrophobicContact CG-CG1 4.12Å; W148-I211 HydrophobicContact CH2-CG1 4.26Å; W148-I211 HydrophobicContact CZ2-CB 4.38Å; W148-I211 HydrophobicContact CZ2-CG1 4.02Å; W148-I211 HydrophobicContact CZ3-CG1 4.22Å; K172-I211 HydrophobicContact CD-CD1 3.62Å; L174-I211 HydrophobicContact CD1-CG2 4.1Å; L174-I211 HydrophobicContact CD2-CG2 3.66Å; L174-I211 HydrophobicContact CG-CG2 4.48Å; G209-I211 VanDerWaalsContact C-N 3.25Å; G209-I211 PolarHBondContact O-N 3.08Å; G209-I211 VanDerWaalsContact O-N 3.17Å; I211-S213 VanDerWaalsContact C-N 3.31Å; I211-S213 PolarHBondContact O-N 3.26Å; I211-S214 PolarHBondContact O-N 3.38Å; I211-S214 VanDerWaalsContact O-N 3.13Å; I211-S214 PolarHBondContact O-OG 3.32Å
212	I	98.7	Very high	98	Very high	10 Å²	10	52 Å²	52	5%	0.051	30%	0.296	C	S	.	.	H	α-helix	trans	-64.2	-39.1	-176.4	-62.9	171.5	0	0	0	110.2	L96 F104 L106 L201 Y208 S214 L215	L96-I212 HydrophobicContact CD1-CG2 3.93Å; L96-I212 HydrophobicContact CD2-CD1 4.13Å; L96-I212 HydrophobicContact CD2-CG1 4.48Å; L96-I212 HydrophobicContact CD2-CG2 4.1Å; F104-I212 HydrophobicContact CB-CD1 4.24Å; L106-I212 HydrophobicContact CG-CG1 4.32Å; L201-I212 HydrophobicContact CD1-CG2 4.1Å; L201-I212 HydrophobicContact CD2-CG2 3.88Å; L201-I212 HydrophobicContact CG-CG2 4.49Å; Y208-I212 HydrophobicContact CD1-CG2 3.94Å; Y208-I212 HydrophobicContact CG-CG2 4.19Å; Y208-I212 WeakPolarHBondContact O-CB 3.48Å; I212-S214 PolarHBondContact O-N 2.84Å; I212-S214 VanDerWaalsContact O-N 3.13Å; I212-L215 HydrophobicContact CG2-CD1 4.18Å; I212-L215 WeakPolarHBondContact O-CB 3.42Å; I212-L215 WeakPolarHBondContact O-CG 3.43Å; I212-L215 PolarHBondContact O-N 3.37Å; I212-L215 VanDerWaalsContact O-N 3.11Å
213	S	98.6	Very high	98	Very high	10 Å²	10	48.4 Å²	48.4	7%	0.07	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-15	179	71.9	0	0	0	0	114.4	L201 G209 I211	L201-S213 WeakPolarHBondContact O-CA 3.19Å; L201-S213 VanDerWaalsContact O-CB 3.28Å; L201-S213 WeakPolarHBondContact O-CB 3.35Å; G209-S213 WeakPolarHBondContact O-CB 3.17Å; G209-S213 PolarHBondContact O-N 3.02Å; G209-S213 VanDerWaalsContact O-N 3.12Å; G209-S213 PolarHBondContact O-OG 3.11Å; I211-S213 VanDerWaalsContact C-N 3.31Å; I211-S213 PolarHBondContact O-N 3.26Å
214	S	98.6	Very high	98.1	Very high	23 Å²	23	43.4 Å²	43.4	16%	0.161	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-6.8	177.6	75.1	0	0	0	0	113.7	P210 I211 I212 P216 Q217 L218	P210-S214 WeakPolarHBondContact O-CB 3.47Å; P210-S214 PolarHBondContact O-OG 3.03Å; I211-S214 PolarHBondContact O-N 3.38Å; I211-S214 VanDerWaalsContact O-N 3.13Å; I211-S214 PolarHBondContact O-OG 3.32Å; I212-S214 PolarHBondContact O-N 2.84Å; I212-S214 VanDerWaalsContact O-N 3.13Å; S214-P216 VanDerWaalsContact C-CD 3.41Å; S214-P216 VanDerWaalsContact C-N 3.34Å; S214-Q217 PolarHBondContact O-N 3.08Å; S214-Q217 VanDerWaalsContact O-N 3.14Å; S214-Q217 PolarHBondContact O-OE1 2.89Å; S214-Q217 VanDerWaalsContact O-OE1 3.12Å; S214-L218 PolarHBondContact O-N 3.28Å; S214-L218 VanDerWaalsContact O-N 3.15Å
215	L	98.8	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-56.8	-38.8	179.6	-67.2	178.3	0	0	0	113.3	V83 V94 L106 I145 L174 I212 Q217 L218 L219	V83-L215 HydrophobicContact CG1-CD1 4.49Å; V83-L215 HydrophobicContact CG2-CD1 4.31Å; V83-L215 HydrophobicContact CG2-CD2 3.84Å; V94-L215 HydrophobicContact CG1-CD1 3.95Å; V94-L215 HydrophobicContact CG2-CD1 4.26Å; L106-L215 HydrophobicContact CD1-CD1 4.49Å; L106-L215 HydrophobicContact CD2-CD1 4.27Å; I145-L215 HydrophobicContact CD1-CD2 4.22Å; L174-L215 HydrophobicContact CD2-CD2 3.84Å; I212-L215 HydrophobicContact CG2-CD1 4.18Å; I212-L215 WeakPolarHBondContact O-CB 3.42Å; I212-L215 WeakPolarHBondContact O-CG 3.43Å; I212-L215 PolarHBondContact O-N 3.37Å; I212-L215 VanDerWaalsContact O-N 3.11Å; L215-Q217 VanDerWaalsContact C-N 3.26Å; L215-Q217 PolarHBondContact O-N 3.12Å; L215-L218 HydrophobicContact CD2-CD1 4.33Å; L215-L218 PolarHBondContact O-N 2.81Å; L215-L218 VanDerWaalsContact O-N 3.14Å; L215-L219 HydrophobicContact CB-CD1 4.31Å; L215-L219 VanDerWaalsContact O-CB 3.28Å; L215-L219 WeakPolarHBondContact O-CB 3.37Å; L215-L219 WeakPolarHBondContact O-CG 3.34Å; L215-L219 PolarHBondContact O-N 2.9Å
216	P	98.8	Very high	98.2	Very high	18 Å²	18	44.4 Å²	44.4	12%	0.117	25%	0.253	C	S	.	.	H	α-helix	trans	-55.7	-40.7	176.2	-27.4	37.5	0	0	0	113	L198 L201 Y202 S214 S220	L198-P216 HydrophobicContact CB-CB 4.23Å; L198-P216 HydrophobicContact CB-CG 4.1Å; L198-P216 HydrophobicContact CD2-CG 4.23Å; L198-P216 VanDerWaalsContact O-CG 3.23Å; L198-P216 WeakPolarHBondContact O-CG 3.44Å; L201-P216 HydrophobicContact CB-CG 4.01Å; Y202-P216 HydrophobicContact CD2-CB 4.06Å; Y202-P216 HydrophobicContact CD2-CG 4.47Å; S214-P216 VanDerWaalsContact C-CD 3.41Å; S214-P216 VanDerWaalsContact C-N 3.34Å; P216-S220 PolarHBondContact O-N 3.44Å; P216-S220 VanDerWaalsContact O-N 3.17Å
217	Q	98.7	Very high	98.2	Very high	90 Å²	90	43.4 Å²	43.4	42%	0.421	24%	0.24	S	C	.	.	H	α-helix	trans	-67.1	-47	175.4	-65.2	88.2	-31.2	0	0	111.4	Y202 S214 L215 L219 S220	Y202-Q217 HydrophobicContact CE2-CG 4.38Å; S214-Q217 PolarHBondContact O-N 3.08Å; S214-Q217 VanDerWaalsContact O-N 3.14Å; S214-Q217 PolarHBondContact O-OE1 2.89Å; S214-Q217 VanDerWaalsContact O-OE1 3.12Å; L215-Q217 VanDerWaalsContact C-N 3.26Å; L215-Q217 PolarHBondContact O-N 3.12Å; Q217-L219 PolarHBondContact O-N 3.42Å; Q217-S220 WeakPolarHBondContact O-CB 3.45Å; Q217-S220 PolarHBondContact O-N 2.66Å; Q217-S220 PolarHBondContact O-OG 2.72Å
218	L	98.5	Very high	98.3	Very high	51 Å²	51	44 Å²	44	27%	0.267	24%	0.236	S	C	.	.	H	α-helix	trans	-64.5	-30.1	-179.2	-62.2	-178.7	0	0	0	112.9	S214 L215	S214-L218 PolarHBondContact O-N 3.28Å; S214-L218 VanDerWaalsContact O-N 3.15Å; L215-L218 HydrophobicContact CD2-CD1 4.33Å; L215-L218 PolarHBondContact O-N 2.81Å; L215-L218 VanDerWaalsContact O-N 3.14Å
219	L	98.6	Very high	98.3	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-87.7	-13.9	-179.3	-65	175.9	0	0	0	113.5	V83 I85 V94 I145 L176 L198 L215 Q217 R221 F222 F224	V83-L219 HydrophobicContact CG1-CD1 4.34Å; V83-L219 HydrophobicContact CG1-CD2 4.46Å; I85-L219 HydrophobicContact CD1-CD1 3.77Å; I85-L219 HydrophobicContact CD1-CD2 3.6Å; I85-L219 HydrophobicContact CD1-CG 4.27Å; I85-L219 HydrophobicContact CG1-CD1 4.39Å; V94-L219 HydrophobicContact CG2-CD1 3.98Å; I145-L219 HydrophobicContact CD1-CD2 4.47Å; L176-L219 HydrophobicContact CD1-CD2 4.01Å; L198-L219 HydrophobicContact CD2-CD1 3.88Å; L215-L219 HydrophobicContact CB-CD1 4.31Å; L215-L219 VanDerWaalsContact O-CB 3.28Å; L215-L219 WeakPolarHBondContact O-CB 3.37Å; L215-L219 WeakPolarHBondContact O-CG 3.34Å; L215-L219 PolarHBondContact O-N 2.9Å; Q217-L219 PolarHBondContact O-N 3.42Å; L219-R221 PolarHBondContact O-N 3.45Å; L219-R221 VanDerWaalsContact O-N 3.09Å; L219-F222 HydrophobicContact CD2-CD2 4.07Å; L219-F222 HydrophobicContact CD2-CE2 3.97Å; L219-F222 WeakPolarHBondContact O-CD2 3.43Å; L219-F222 PolarHBondContact O-N 2.98Å; L219-F222 VanDerWaalsContact O-N 3.16Å; L219-F224 HydrophobicContact CB-CE2 4.42Å; L219-F224 HydrophobicContact CB-CZ 4.2Å
220	S	98.4	Very high	98.4	Very high	98 Å²	98	46.2 Å²	46.2	69%	0.685	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.9	-176.3	68.2	0	0	0	0	114.9	P216 Q217	P216-S220 PolarHBondContact O-N 3.44Å; P216-S220 VanDerWaalsContact O-N 3.17Å; Q217-S220 WeakPolarHBondContact O-CB 3.45Å; Q217-S220 PolarHBondContact O-N 2.66Å; Q217-S220 PolarHBondContact O-OG 2.72Å
221	R	98	Very high	98.4	Very high	123 Å²	123	44.8 Å²	44.8	46%	0.464	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-14.4	-179.9	68.6	177	-179.1	86.1	-8.1	114.5	C144 L219	C144-R221 PolarHBondContact O-NH2 3.31Å; C144-R221 VanDerWaalsContact O-NH2 3.09Å; L219-R221 PolarHBondContact O-N 3.45Å; L219-R221 VanDerWaalsContact O-N 3.09Å
222	F	98.4	Very high	98.4	Very high	14 Å²	14	46.9 Å²	46.9	6%	0.061	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.5	-176.3	-66.2	-78.6	0	0	0	111.3	R35 I37 D143 I145 L176 L219 F224	R35-F222 HydrophobicContact CB-CD1 3.87Å; R35-F222 HydrophobicContact CB-CE1 4.16Å; R35-F222 HydrophobicContact CG-CD1 3.69Å; R35-F222 HydrophobicContact CG-CE1 3.68Å; I37-F222 HydrophobicContact CD1-CD1 4.24Å; I37-F222 HydrophobicContact CD1-CE1 4.36Å; I37-F222 HydrophobicContact CG1-CB 4.29Å; I37-F222 HydrophobicContact CG1-CD1 3.51Å; I37-F222 HydrophobicContact CG1-CE1 4.08Å; I37-F222 HydrophobicContact CG1-CG 4.13Å; D143-F222 HydrophobicContact CB-CE1 4.3Å; D143-F222 HydrophobicContact CB-CZ 4.25Å; I145-F222 HydrophobicContact CG2-CE2 3.79Å; I145-F222 HydrophobicContact CG2-CZ 3.7Å; L176-F222 HydrophobicContact CB-CZ 4.43Å; L176-F222 HydrophobicContact CD1-CD1 4.34Å; L176-F222 HydrophobicContact CD1-CD2 3.98Å; L176-F222 HydrophobicContact CD1-CE1 4.01Å; L176-F222 HydrophobicContact CD1-CE2 3.65Å; L176-F222 HydrophobicContact CD1-CG 4.31Å; L176-F222 HydrophobicContact CD1-CZ 3.64Å; L219-F222 HydrophobicContact CD2-CD2 4.07Å; L219-F222 HydrophobicContact CD2-CE2 3.97Å; L219-F222 WeakPolarHBondContact O-CD2 3.43Å; L219-F222 PolarHBondContact O-N 2.98Å; L219-F222 VanDerWaalsContact O-N 3.16Å; F222-F224 HydrophobicContact CB-CD1 4.28Å; F222-F224 HydrophobicContact CB-CE1 3.81Å; F222-F224 HydrophobicContact CB-CE2 4.31Å; F222-F224 HydrophobicContact CB-CZ 3.82Å; F222-F224 HydrophobicContact CD2-CZ 4.38Å; F222-F224 HydrophobicContact CG-CE1 4.44Å; F222-F224 HydrophobicContact CG-CZ 4.44Å; F222-F224 PolarHBondContact O-N 3.01Å
223	N	98.3	Very high	98.4	Very high	61 Å²	61	49.3 Å²	49.3	33%	0.326	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	95.8	170	-178.5	7.8	0	0	0	108.8	E34 R35 T36 I37	E34-N223 HydrophobicContact CG-CB 4.32Å; E34-N223 PolarHBondContact OE1-ND2 3.29Å; R35-N223 PolarHBondContact O-N 3.28Å; T36-N223 VanDerWaalsContact CA-O 3.31Å; T36-N223 WeakPolarHBondContact CA-O 3.44Å; I37-N223 PolarHBondContact N-O 3.49Å
224	F	98.6	Very high	98.4	Very high	27 Å²	27	52.1 Å²	52.1	12%	0.118	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	125.5	-178.8	-67.1	-54	0	0	0	112.4	I37 L39 I85 P92 L219 F222 Y226	I37-F224 HydrophobicContact CB-CD1 3.96Å; I37-F224 HydrophobicContact CB-CE1 4.1Å; I37-F224 HydrophobicContact CG2-CD1 4.21Å; I37-F224 HydrophobicContact CG2-CE1 4.17Å; I37-F224 WeakPolarHBondContact O-CA 3.48Å; L39-F224 HydrophobicContact CD1-CB 3.83Å; L39-F224 HydrophobicContact CD1-CD1 3.65Å; L39-F224 HydrophobicContact CD1-CD2 4.3Å; L39-F224 HydrophobicContact CD1-CE1 4.28Å; L39-F224 HydrophobicContact CD1-CG 3.67Å; L39-F224 HydrophobicContact CD2-CD1 3.82Å; L39-F224 HydrophobicContact CD2-CE1 4.08Å; L39-F224 HydrophobicContact CG-CB 4.17Å; L39-F224 HydrophobicContact CG-CD1 3.7Å; L39-F224 HydrophobicContact CG-CE1 4.41Å; L39-F224 HydrophobicContact CG-CG 4.13Å; I85-F224 HydrophobicContact CD1-CE1 3.84Å; I85-F224 HydrophobicContact CD1-CZ 3.75Å; P92-F224 HydrophobicContact CG-CD2 4Å; P92-F224 HydrophobicContact CG-CE2 4.28Å; L219-F224 HydrophobicContact CB-CE2 4.42Å; L219-F224 HydrophobicContact CB-CZ 4.2Å; F222-F224 HydrophobicContact CB-CD1 4.28Å; F222-F224 HydrophobicContact CB-CE1 3.81Å; F222-F224 HydrophobicContact CB-CE2 4.31Å; F222-F224 HydrophobicContact CB-CZ 3.82Å; F222-F224 HydrophobicContact CD2-CZ 4.38Å; F222-F224 HydrophobicContact CG-CE1 4.44Å; F222-F224 HydrophobicContact CG-CZ 4.44Å; F222-F224 PolarHBondContact O-N 3.01Å; F224-Y226 HydrophobicContact CB-CE2 4.13Å
225	I	98.6	Very high	98.4	Very high	65 Å²	65	54.4 Å²	54.4	33%	0.333	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	114.5	169.1	-51.4	-55.8	0	0	0	108.2	T36 I37 N38 L39 N227	T36-I225 HydrophobicContact CG2-CD1 3.83Å; T36-I225 HydrophobicContact CG2-CG1 3.38Å; I37-I225 PolarHBondContact O-N 2.92Å; N38-I225 WeakPolarHBondContact OD1-CB 3.48Å; L39-I225 PolarHBondContact N-O 2.75Å; L39-I225 VanDerWaalsContact O-O 3.14Å; I225-N227 PolarHBondContact O-N 3.46Å; I225-N227 PolarHBondContact O-ND2 2.85Å
226	Y	98.4	Very high	98.3	Very high	53 Å²	53	58.9 Å²	58.9	21%	0.208	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	93.8	175.8	-53.5	-88.8	0	0	0	108.9	L39 H87 R90 P92 F224	L39-Y226 HydrophobicContact CD1-CD1 4.28Å; L39-Y226 HydrophobicContact CD1-CE1 3.97Å; H87-Y226 HydrophobicContact CB-CD1 3.59Å; H87-Y226 HydrophobicContact CB-CE1 4.01Å; H87-Y226 AromaticContact CG-CD1 3.66Å; R90-Y226 VanDerWaalsContact C-CE1 3.47Å; R90-Y226 HydrophobicContact CB-CD1 4.07Å; R90-Y226 HydrophobicContact CB-CD2 4.42Å; R90-Y226 HydrophobicContact CB-CE1 4.48Å; R90-Y226 HydrophobicContact CB-CG 4.03Å; R90-Y226 HydrophobicContact CG-CG 4.38Å; R90-Y226 PolarHBondContact NH1-O 2.79Å; R90-Y226 WeakPolarHBondContact O-CE1 3.45Å; P92-Y226 WeakPolarHBondContact CD-OH 3.37Å; P92-Y226 HydrophobicContact CG-CE1 3.89Å; P92-Y226 WeakPolarHBondContact CG-OH 3.46Å; F224-Y226 HydrophobicContact CB-CE2 4.13Å
227	N	96.5	Very high	98.3	Very high	106 Å²	106	62.6 Å²	62.6	57%	0.567	31%	0.314	S	S	*	.			trans	-75	0	177.9	-60	-80	0	0	0	112.1	N38 L39 Y40 P41 H87 I225	N38-N227 WeakPolarHBondContact CB-ND2 3.42Å; N38-N227 PolarHBondContact OD1-ND2 3.1Å; L39-N227 WeakPolarHBondContact O-CB 3.34Å; L39-N227 PolarHBondContact O-N 3.39Å; L39-N227 PolarHBondContact O-ND2 3.1Å; Y40-N227 HydrophobicContact CD1-CB 3.64Å; Y40-N227 HydrophobicContact CE1-CB 3.79Å; P41-N227 WeakPolarHBondContact CD-O 3.5Å; H87-N227 PolarHBondContact CE1-O 3.12Å; H87-N227 PolarHBondContact NE2-O 3.36Å; I225-N227 PolarHBondContact O-N 3.46Å; I225-N227 PolarHBondContact O-ND2 2.85Å

Retrieved 227 of 227 residues in 41.8 ms (Link to these results)

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