A0A087XKX3_POEFO Loading...

Pyruvate dehydrogenase E1 component subunit beta

The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2), and thereby links the glycolytic pathway to the tricarboxylic cycle. The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO2.

AlphaFold DB , UniProt , Accession A0A087XKX3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 360 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	34.8	Very low	34.8	Very low	254 Å²	254	151.2 Å²	151.2	100%	1.251	81%	0.811	S	S	*	*				0	174.9	0	-102.4	174.7	168	0	0	109.5
2	A	34.6	Very low	34.9	Very low	95 Å²	95	144.2 Å²	144.2	79%	0.785	80%	0.801	S	S	*	*			trans	-73.9	143.9	-158	0	0	0	0	0	117
3	A	36.6	Very low	34.9	Very low	89 Å²	89	149.2 Å²	149.2	74%	0.736	81%	0.81	S	S	*	*				58.3	113.6	122.7	0	0	0	0	0	123.3
4	S	37.7	Very low	35	Very low	98 Å²	98	156.5 Å²	156.5	69%	0.685	82%	0.819	S	S	*	*				85.4	128.4	99.1	-155.1	0	0	0	0	123.7
5	L	37.6	Very low	35	Very low	125 Å²	125	152.9 Å²	152.9	65%	0.654	82%	0.822	S	S	*	*			trans	85.9	119.5	136.2	-109.6	59.5	0	0	0	124.1
6	R	38.7	Very low	35.2	Very low	215 Å²	215	151.7 Å²	151.7	81%	0.811	82%	0.821	S	S	*	*			trans	68	157.7	141.7	-70.5	168	-165.6	-168.2	6.7	117.6
7	C	31.6	Very low	35.2	Very low	98 Å²	98	152.9 Å²	152.9	66%	0.662	83%	0.825	S	S	*	*			cis	-168.3	-175.3	-11.9	-110.4	0	0	0	0	108.7
8	F	31.2	Very low	35.3	Very low	175 Å²	175	151.2 Å²	151.2	77%	0.768	82%	0.821	S	S	*	*			cis	-152.9	-165.5	0.4	-141.1	-81.6	0	0	0	108.8
9	L	32.1	Very low	35.5	Very low	150 Å²	150	147.9 Å²	147.9	79%	0.785	82%	0.816	S	S	*	*			trans	80.2	73.9	148.5	-77.1	161.1	0	0	0	121.4
10	R	33.9	Very low	35.7	Very low	237 Å²	237	146.6 Å²	146.6	89%	0.894	81%	0.812	S	S	*	*			trans	16	125.2	133.3	-66.7	179.1	172.1	175	-3.6	120.1
11	S	34.5	Very low	36	Very low	127 Å²	127	150.9 Å²	150.9	89%	0.888	82%	0.816	S	S	*	*			trans	-90.5	159.3	152.8	-176.8	0	0	0	0	111.7
12	G	35.2	Very low	36.3	Very low	67 Å²	67	149.9 Å²	149.9	69%	0.691	80%	0.798	S	S	*	*			trans	-89.8	171.1	-176.1	0	0	0	0	0	115.4
13	K	35.4	Very low	36.5	Very low	210 Å²	210	148 Å²	148	91%	0.913	79%	0.788	S	S	*	*			trans	-136.1	142	169.6	-74.1	-171.7	174.7	-175.9	0	110.6
14	R	35.4	Very low	36.8	Very low	251 Å²	251	151.5 Å²	151.5	95%	0.947	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-68.1	138.9	171.3	-75.3	175.8	169	170.7	-6.8	110.1
15	A	35.6	Very low	37	Very low	103 Å²	103	155.2 Å²	155.2	85%	0.851	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-89.3	140.2	162.7	0	0	0	0	0	109.8
16	V	38.5	Very low	37.4	Very low	133 Å²	133	154.4 Å²	154.4	81%	0.806	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-100.6	125	169.9	175.7	0	0	0	0	107.5	V18	V16-V18 PolarHBondContact O-N 3.44Å
17	L	34.4	Very low	37.9	Very low	172 Å²	172	149.2 Å²	149.2	90%	0.901	80%	0.8	S	S	*	*			trans	-83.6	104.3	-176.9	-157.7	82.6	0	0	0	110.2	A19	L17-A19 PolarHBondContact O-N 2.82Å
18	V	37.1	Very low	39	Very low	123 Å²	123	149.5 Å²	149.5	75%	0.745	80%	0.804	S	S	*	*			trans	-77.1	106.1	173.3	178.7	0	0	0	0	109	V16 V20	V16-V18 PolarHBondContact O-N 3.44Å; V18-V20 PolarHBondContact O-N 3.06Å
19	A	39.4	Very low	40.2	Very low	88 Å²	88	145.6 Å²	145.6	73%	0.727	80%	0.796	S	S	*	*			trans	-73.7	95	176.8	0	0	0	0	0	110.7	L17 R21	L17-A19 PolarHBondContact O-N 2.82Å; A19-R21 PolarHBondContact O-N 2.91Å
20	V	40.5	Very low	41.5	Very low	121 Å²	121	142.9 Å²	142.9	73%	0.733	80%	0.795	S	S	*	*			trans	-65.7	101.4	173.1	179.9	0	0	0	0	109.2	V18 R22	V18-V20 PolarHBondContact O-N 3.06Å; V20-R22 PolarHBondContact O-N 3Å
21	R	41.5	Very low	43.1	Very low	238 Å²	238	133.8 Å²	133.8	90%	0.898	77%	0.77	S	S	*	*			trans	-62.1	103.2	165.5	-82.5	-174.5	169.5	-174.6	-3.5	108.3	A19 G23	A19-R21 PolarHBondContact O-N 2.91Å; R21-G23 PolarHBondContact O-N 3.39Å
22	R	39.9	Very low	45.7	Very low	233 Å²	233	130.9 Å²	130.9	88%	0.879	75%	0.747	S	S	*	*			trans	-63.6	102.3	164.1	-73.9	-177.4	173.8	179.2	-3	107.8	V20 I24	V20-R22 PolarHBondContact O-N 3Å; R22-I24 PolarHBondContact O-N 3.47Å; R22-I24 VanDerWaalsContact O-N 3.13Å
23	G	39.4	Very low	48.6	Very low	56 Å²	56	132.6 Å²	132.6	58%	0.577	74%	0.737	S	S	*	*			trans	-63.3	111.4	168.7	0	0	0	0	0	108.6	R21 H25	R21-G23 PolarHBondContact O-N 3.39Å; G23-H25 PolarHBondContact O-N 3.27Å; G23-H25 PolarHBondContact O-ND1 3.03Å
24	I	43.2	Very low	51.6	Low	162 Å²	162	123 Å²	123	83%	0.831	70%	0.696	S	S	*	*			trans	-60.6	107.3	170.4	-62.3	170.2	0	0	0	105.8	R22 S26	R22-I24 PolarHBondContact O-N 3.47Å; R22-I24 VanDerWaalsContact O-N 3.13Å; I24-S26 PolarHBondContact O-N 3.2Å; I24-S26 VanDerWaalsContact O-N 3.11Å
25	H	42.1	Very low	54.6	Low	176 Å²	176	112.4 Å²	112.4	82%	0.815	66%	0.659	S	S	*	*			trans	-71.5	105.1	167.4	-73.1	47.2	0	0	0	105.7	G23 S27	G23-H25 PolarHBondContact O-N 3.27Å; G23-H25 PolarHBondContact O-ND1 3.03Å; H25-S27 PolarHBondContact O-N 3.37Å
26	S	46.1	Very low	57.6	Low	107 Å²	107	107.9 Å²	107.9	75%	0.748	62%	0.621	S	S	*	*			trans	-61.7	105.7	157.9	49.8	0	0	0	0	106.6	I24 S28	I24-S26 PolarHBondContact O-N 3.2Å; I24-S26 VanDerWaalsContact O-N 3.11Å; S26-S28 PolarHBondContact O-N 2.86Å
27	S	48	Very low	60.5	Low	107 Å²	107	103.8 Å²	103.8	75%	0.748	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-51.3	132.5	153.7	48.8	0	0	0	0	107.2	H25	H25-S27 PolarHBondContact O-N 3.37Å
28	S	55.1	Low	63.5	Low	104 Å²	104	98.4 Å²	98.4	73%	0.727	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-50.1	148	166.7	-56	0	0	0	0	109.4	S26 A30	S26-S28 PolarHBondContact O-N 2.86Å; S28-A30 PolarHBondContact O-N 2.98Å
29	P	56.4	Low	66.5	Low	93 Å²	93	92.5 Å²	92.5	60%	0.604	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-47.8	138.6	166.8	-24.9	34.5	0	0	0	109.6	A31	P29-A31 PolarHBondContact O-N 2.97Å; P29-A31 VanDerWaalsContact O-N 3.14Å
30	A	58.7	Low	69.3	Low	93 Å²	93	88.4 Å²	88.4	77%	0.769	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-61.5	120.5	175.6	0	0	0	0	0	108.2	S28 V32	S28-A30 PolarHBondContact O-N 2.98Å; A30-V32 PolarHBondContact O-N 3.17Å
31	A	68.7	Low	72.1	Confident	45 Å²	45	84.3 Å²	84.3	37%	0.372	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-57	130.3	-174.4	0	0	0	0	0	110.2	P29 Q33 E212	P29-A31 PolarHBondContact O-N 2.97Å; P29-A31 VanDerWaalsContact O-N 3.14Å; A31-Q33 PolarHBondContact O-N 2.99Å; A31-E212 HydrophobicContact CB-CB 3.93Å; A31-E212 HydrophobicContact CB-CG 4.09Å
32	V	89.2	Confident	74.8	Confident	67 Å²	67	75.6 Å²	75.6	41%	0.406	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	117.9	-173.5	-177.9	0	0	0	0	108.5	A30 V34 M213 Q218	A30-V32 PolarHBondContact O-N 3.17Å; V32-V34 HydrophobicContact CG1-CG2 3.86Å; V32-V34 PolarHBondContact O-N 2.85Å; V32-M213 PolarHBondContact O-N 2.93Å; V32-Q218 VanDerWaalsContact CG2-OE1 3.23Å
33	Q	95.9	Very high	77.6	Confident	103 Å²	103	64.5 Å²	64.5	48%	0.481	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	114.6	174	-71.8	-77.4	-4.9	0	0	109.1	A31 F211 E212	A31-Q33 PolarHBondContact O-N 2.99Å; Q33-F211 WeakPolarHBondContact CA-O 3.46Å; Q33-F211 VanDerWaalsContact OE1-C 3.24Å; Q33-F211 PolarHBondContact OE1-O 3.01Å; Q33-E212 PolarHBondContact NE2-OE1 3Å
34	V	97.8	Very high	80.4	Confident	9 Å²	9	61.9 Å²	61.9	6%	0.055	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	131.9	-179.4	-174.5	0	0	0	0	108.7	V32 D38 A39 S181 F211 M213	V32-V34 HydrophobicContact CG1-CG2 3.86Å; V32-V34 PolarHBondContact O-N 2.85Å; V34-D38 HydrophobicContact CG1-CB 3.87Å; V34-A39 HydrophobicContact CG1-CB 4.09Å; V34-S181 PolarHBondContact O-OG 3.34Å; V34-F211 PolarHBondContact N-O 3.36Å; V34-F211 PolarHBondContact O-N 3.06Å; V34-M213 HydrophobicContact CB-CG 3.83Å; V34-M213 HydrophobicContact CG2-CB 4.31Å; V34-M213 HydrophobicContact CG2-CG 3.74Å
35	T	98.8	Very high	83.1	Confident	28 Å²	28	55.9 Å²	55.9	17%	0.172	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	155.1	175.4	77.3	0	0	0	0	111.5	R37 D38 A39 Y207 V209 P210	T35-R37 PolarHBondContact O-N 3.26Å; T35-D38 WeakPolarHBondContact CB-OD2 3.49Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.32Å; T35-D38 PolarHBondContact O-N 3.15Å; T35-D38 PolarHBondContact OG1-N 2.94Å; T35-D38 PolarHBondContact OG1-OD2 2.89Å; T35-A39 WeakPolarHBondContact O-CB 3.38Å; T35-A39 PolarHBondContact O-N 3.32Å; T35-Y207 PolarHBondContact OG1-O 3.33Å; T35-V209 VanDerWaalsContact CA-O 3.29Å; T35-V209 WeakPolarHBondContact CA-O 3.49Å; T35-P210 HydrophobicContact CG2-CB 4.37Å
36	V	98.9	Very high	85.8	Confident	7 Å²	7	48.5 Å²	48.5	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-56.5	-36.8	177.1	-176.8	0	0	0	0	111.2	A39 L40 S181 A184 M206 V209 F211	V36-A39 PolarHBondContact O-N 3.24Å; V36-L40 HydrophobicContact CG1-CD1 4.27Å; V36-L40 WeakPolarHBondContact O-CD1 3.28Å; V36-L40 VanDerWaalsContact O-CG 3.24Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.32Å; V36-S181 PolarHBondContact N-OG 3.43Å; V36-A184 HydrophobicContact CG1-CB 3.76Å; V36-M206 WeakPolarHBondContact CB-O 3.39Å; V36-M206 HydrophobicContact CG2-CB 4.3Å; V36-M206 VanDerWaalsContact CG2-O 3.29Å; V36-M206 WeakPolarHBondContact CG2-O 3.39Å; V36-V209 PolarHBondContact N-O 3.32Å; V36-F211 HydrophobicContact CG2-CD2 3.92Å; V36-F211 HydrophobicContact CG2-CE2 3.73Å
37	R	98.8	Very high	88.3	Confident	48 Å²	48	43.5 Å²	43.5	18%	0.181	27%	0.268	C	S	.	.	H	α-helix	trans	-58.2	-50.2	171.8	175	-171.9	-71.5	101.2	-0.2	112.4	T35 A39 L40 N41 Y68 K69 V70 Y207	T35-R37 PolarHBondContact O-N 3.26Å; R37-A39 VanDerWaalsContact C-N 3.3Å; R37-A39 PolarHBondContact O-N 2.93Å; R37-L40 PolarHBondContact O-N 2.68Å; R37-N41 WeakPolarHBondContact O-CB 3.4Å; R37-N41 PolarHBondContact O-N 2.72Å; R37-Y68 PolarHBondContact NE-O 3.1Å; R37-Y68 PolarHBondContact NH2-O 3.37Å; R37-Y68 VanDerWaalsContact NH2-O 3.14Å; R37-K69 WeakPolarHBondContact CD-O 3.29Å; R37-V70 HydrophobicContact CG-CG2 4.3Å; R37-Y207 WeakPolarHBondContact CB-O 3.22Å; R37-Y207 PolarHBondContact N-O 3.11Å; R37-Y207 VanDerWaalsContact N-O 3.15Å; R37-Y207 PolarHBondContact NH1-O 2.97Å; R37-Y207 VanDerWaalsContact NH1-O 3.08Å
38	D	98.8	Very high	90.7	Very high	58 Å²	58	38.5 Å²	38.5	31%	0.31	23%	0.233	S	C	.	.	H	α-helix	trans	-70.7	-30.7	-176.1	-53.6	-47.2	0	0	0	111.2	V34 T35 N41 Q42	V34-D38 HydrophobicContact CG1-CB 3.87Å; T35-D38 WeakPolarHBondContact CB-OD2 3.49Å; T35-D38 WeakPolarHBondContact CG2-OD2 3.32Å; T35-D38 PolarHBondContact O-N 3.15Å; T35-D38 PolarHBondContact OG1-N 2.94Å; T35-D38 PolarHBondContact OG1-OD2 2.89Å; D38-N41 WeakPolarHBondContact O-CB 3.29Å; D38-N41 PolarHBondContact O-N 2.86Å; D38-Q42 WeakPolarHBondContact O-CB 3.4Å; D38-Q42 WeakPolarHBondContact O-CG 3.39Å; D38-Q42 PolarHBondContact O-N 2.86Å
39	A	98.8	Very high	92.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-66.8	-40.3	174	0	0	0	0	0	112.6	V34 T35 V36 R37 A43 S181 R185	V34-A39 HydrophobicContact CG1-CB 4.09Å; T35-A39 WeakPolarHBondContact O-CB 3.38Å; T35-A39 PolarHBondContact O-N 3.32Å; V36-A39 PolarHBondContact O-N 3.24Å; R37-A39 VanDerWaalsContact C-N 3.3Å; R37-A39 PolarHBondContact O-N 2.93Å; A39-A43 WeakPolarHBondContact O-CB 3.44Å; A39-A43 PolarHBondContact O-N 2.75Å; A39-S181 WeakPolarHBondContact CB-O 3.24Å; A39-R185 HydrophobicContact CB-CB 4.15Å
40	L	98.9	Very high	94.8	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-66.9	-41.1	171.2	-66.9	165.7	0	0	0	111.8	V36 R37 A43 M44 V70 A184 L188 F200 E202 Y207	V36-L40 HydrophobicContact CG1-CD1 4.27Å; V36-L40 WeakPolarHBondContact O-CD1 3.28Å; V36-L40 VanDerWaalsContact O-CG 3.24Å; V36-L40 WeakPolarHBondContact O-CG 3.47Å; V36-L40 PolarHBondContact O-N 3.32Å; R37-L40 PolarHBondContact O-N 2.68Å; L40-A43 PolarHBondContact O-N 2.97Å; L40-M44 PolarHBondContact O-N 3.46Å; L40-V70 HydrophobicContact CB-CG1 3.56Å; L40-V70 HydrophobicContact CD1-CG1 4Å; L40-V70 HydrophobicContact CG-CG1 4.43Å; L40-A184 HydrophobicContact CD2-CB 3.81Å; L40-A184 HydrophobicContact CG-CB 3.99Å; L40-L188 HydrophobicContact CB-CD2 4.41Å; L40-L188 HydrophobicContact CD2-CB 4.41Å; L40-L188 HydrophobicContact CD2-CD2 3.75Å; L40-F200 HydrophobicContact CD2-CE1 3.59Å; L40-F200 HydrophobicContact CD2-CZ 4.04Å; L40-E202 HydrophobicContact CD1-CG 4.26Å; L40-Y207 HydrophobicContact CD1-CD1 4.01Å; L40-Y207 HydrophobicContact CD1-CE1 3.66Å
41	N	98.9	Very high	96.7	Very high	35 Å²	35	38 Å²	38	19%	0.187	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-48	175.6	-172.5	-98.3	0	0	0	111.3	R37 D38 A43 M44 D45 V70 R72	R37-N41 WeakPolarHBondContact O-CB 3.4Å; R37-N41 PolarHBondContact O-N 2.72Å; D38-N41 WeakPolarHBondContact O-CB 3.29Å; D38-N41 PolarHBondContact O-N 2.86Å; N41-A43 PolarHBondContact O-N 3.11Å; N41-M44 PolarHBondContact O-N 3.44Å; N41-D45 WeakPolarHBondContact O-CB 3.29Å; N41-D45 PolarHBondContact O-N 3.12Å; N41-V70 WeakPolarHBondContact CB-O 3.47Å; N41-V70 PolarHBondContact ND2-O 2.94Å; N41-R72 PolarHBondContact ND2-N 2.67Å; N41-R72 PolarHBondContact ND2-O 2.85Å
42	Q	98.8	Very high	98.2	Very high	56 Å²	56	43.4 Å²	43.4	26%	0.262	21%	0.207	S	C	.	.	H	α-helix	trans	-59.2	-44.7	175	-72.5	161.6	22.9	0	0	112.1	D38 M44 D45 E46	D38-Q42 WeakPolarHBondContact O-CB 3.4Å; D38-Q42 WeakPolarHBondContact O-CG 3.39Å; D38-Q42 PolarHBondContact O-N 2.86Å; Q42-M44 PolarHBondContact O-N 2.6Å; Q42-D45 PolarHBondContact O-N 3.08Å; Q42-E46 WeakPolarHBondContact O-CB 3.27Å; Q42-E46 WeakPolarHBondContact O-CG 3.36Å; Q42-E46 PolarHBondContact O-N 3.28Å
43	A	98.8	Very high	98.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-58.9	-47.3	176.5	0	0	0	0	0	112.7	A39 L40 N41 E47 R185 L188 K189	A39-A43 WeakPolarHBondContact O-CB 3.44Å; A39-A43 PolarHBondContact O-N 2.75Å; L40-A43 PolarHBondContact O-N 2.97Å; N41-A43 PolarHBondContact O-N 3.11Å; A43-E47 PolarHBondContact O-N 3.15Å; A43-R185 HydrophobicContact CB-CG 4.15Å; A43-L188 HydrophobicContact CB-CB 3.94Å; A43-L188 HydrophobicContact CB-CD2 4.01Å; A43-L188 HydrophobicContact CB-CG 4.12Å; A43-K189 HydrophobicContact CB-CD 4.22Å; A43-K189 HydrophobicContact CB-CG 3.67Å
44	M	98.9	Very high	98.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-44.6	176.4	-68.1	-169.6	-69.1	0	0	111.4	L40 N41 Q42 E46 E47 L48 L56 V70 L74 I108 L188	L40-M44 PolarHBondContact O-N 3.46Å; N41-M44 PolarHBondContact O-N 3.44Å; Q42-M44 PolarHBondContact O-N 2.6Å; M44-E46 VanDerWaalsContact C-N 3.31Å; M44-E46 PolarHBondContact O-N 2.85Å; M44-E47 PolarHBondContact O-N 3.26Å; M44-L48 HydrophobicContact CB-CD1 4.42Å; M44-L48 VanDerWaalsContact O-CB 3.27Å; M44-L48 WeakPolarHBondContact O-CB 3.32Å; M44-L48 WeakPolarHBondContact O-CD1 3.14Å; M44-L48 WeakPolarHBondContact O-CG 3.36Å; M44-L48 PolarHBondContact O-N 3.16Å; M44-L56 HydrophobicContact SD-CD2 4.19Å; M44-V70 HydrophobicContact CE-CG1 3.85Å; M44-L74 HydrophobicContact CB-CD1 3.91Å; M44-L74 HydrophobicContact CE-CD1 4.02Å; M44-I108 HydrophobicContact CG-CD1 4.12Å; M44-I108 HydrophobicContact SD-CD1 4.43Å; M44-I108 HydrophobicContact SD-CG2 4.37Å; M44-L188 HydrophobicContact CG-CD2 3.74Å
45	D	98.9	Very high	98.8	Very high	37 Å²	37	40.9 Å²	40.9	20%	0.198	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-43.2	-179	-167.6	30.8	0	0	0	112.1	N41 Q42 L48 E49 L74 K77 Y78	N41-D45 WeakPolarHBondContact O-CB 3.29Å; N41-D45 PolarHBondContact O-N 3.12Å; Q42-D45 PolarHBondContact O-N 3.08Å; D45-L48 PolarHBondContact O-N 3.29Å; D45-E49 WeakPolarHBondContact O-CB 3.33Å; D45-E49 PolarHBondContact O-N 3.31Å; D45-L74 HydrophobicContact CB-CD2 3.76Å; D45-K77 VanDerWaalsContact OD1-CD 3.26Å; D45-K77 WeakPolarHBondContact OD1-CD 3.37Å; D45-K77 WeakPolarHBondContact OD1-CE 3.42Å; D45-K77 IonicContact OD1-NZ 2.71Å; D45-K77 PolarHBondContact OD1-NZ 3.04Å; D45-K77 IonicContact OD2-NZ 3.94Å; D45-K77 PolarHBondContact OD2-NZ 3.08Å; D45-Y78 PolarHBondContact O-OH 3.16Å; D45-Y78 WeakPolarHBondContact OD1-CE2 3.4Å; D45-Y78 VanDerWaalsContact OD1-CZ 3.28Å; D45-Y78 PolarHBondContact OD1-OH 3.3Å
46	E	98.9	Very high	98.8	Very high	21 Å²	21	39.6 Å²	39.6	10%	0.098	18%	0.177	C	C	.	.	H	α-helix	trans	-69.5	-39.8	-178.9	-71.5	169.6	166.5	0	0	113.2	Q42 M44 R50 R185 K189 K220	Q42-E46 WeakPolarHBondContact O-CB 3.27Å; Q42-E46 WeakPolarHBondContact O-CG 3.36Å; Q42-E46 PolarHBondContact O-N 3.28Å; M44-E46 VanDerWaalsContact C-N 3.31Å; M44-E46 PolarHBondContact O-N 2.85Å; E46-R50 WeakPolarHBondContact O-CB 3.44Å; E46-R50 PolarHBondContact O-N 2.88Å; E46-R185 IonicContact OE1-CZ 2.72Å; E46-R185 IonicContact OE1-NE 3.45Å; E46-R185 IonicContact OE1-NH2 2.73Å; E46-R185 PolarHBondContact OE1-NH2 3.33Å; E46-R185 IonicContact OE2-CZ 3.75Å; E46-R185 IonicContact OE2-NE 3.72Å; E46-R185 PolarHBondContact OE2-NE 2.9Å; E46-R185 IonicContact OE2-NH2 2.91Å; E46-R185 PolarHBondContact OE2-NH2 2.88Å; E46-K189 VanDerWaalsContact OE2-CE 3.3Å; E46-K189 WeakPolarHBondContact OE2-CE 3.48Å; E46-K189 IonicContact OE2-NZ 2.66Å; E46-K189 PolarHBondContact OE2-NZ 3.29Å; E46-K220 HydrophobicContact CG-CD 4.13Å; E46-K220 HydrophobicContact CG-CG 4.09Å
47	E	98.9	Very high	98.8	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-77.1	-28.3	176.9	-57.5	-51.1	124.7	0	0	112.4	A43 M44 R50 D51 K189 I192 R193	A43-E47 PolarHBondContact O-N 3.15Å; M44-E47 PolarHBondContact O-N 3.26Å; E47-R50 PolarHBondContact O-N 3.12Å; E47-R50 WeakPolarHBondContact OE2-CD 3.45Å; E47-R50 IonicContact OE2-CZ 3.37Å; E47-R50 IonicContact OE2-NE 2.92Å; E47-R50 IonicContact OE2-NH1 3.62Å; E47-R50 PolarHBondContact OE2-NH1 3.38Å; E47-D51 PolarHBondContact O-N 2.98Å; E47-K189 HydrophobicContact CG-CB 4.45Å; E47-K189 HydrophobicContact CG-CG 4.24Å; E47-K189 IonicContact OE1-NZ 3.81Å; E47-K189 PolarHBondContact OE1-NZ 3.22Å; E47-I192 HydrophobicContact CB-CB 4.32Å; E47-I192 HydrophobicContact CB-CD1 4.04Å; E47-I192 HydrophobicContact CB-CG2 3.72Å; E47-I192 HydrophobicContact CG-CB 4.16Å; E47-I192 HydrophobicContact CG-CD1 4Å; E47-I192 HydrophobicContact CG-CG2 4.07Å; E47-R193 VanDerWaalsContact CD-NE 3.32Å; E47-R193 IonicContact OE1-CZ 3.68Å; E47-R193 IonicContact OE1-NE 3.45Å; E47-R193 PolarHBondContact OE1-NE 2.86Å; E47-R193 IonicContact OE1-NH2 2.84Å; E47-R193 PolarHBondContact OE1-NH2 3.47Å; E47-R193 WeakPolarHBondContact OE2-CG 3.37Å; E47-R193 IonicContact OE2-CZ 3.88Å; E47-R193 IonicContact OE2-NE 2.75Å; E47-R193 PolarHBondContact OE2-NE 3.17Å; E47-R193 IonicContact OE2-NH2 2.7Å
48	L	98.9	Very high	98.8	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-35.8	170.1	-75.2	164	0	0	0	112.6	M44 D45 V54 L74 Y78 R82 I83	M44-L48 HydrophobicContact CB-CD1 4.42Å; M44-L48 VanDerWaalsContact O-CB 3.27Å; M44-L48 WeakPolarHBondContact O-CB 3.32Å; M44-L48 WeakPolarHBondContact O-CD1 3.14Å; M44-L48 WeakPolarHBondContact O-CG 3.36Å; M44-L48 PolarHBondContact O-N 3.16Å; D45-L48 PolarHBondContact O-N 3.29Å; L48-V54 HydrophobicContact CD2-CB 4.37Å; L48-V54 HydrophobicContact CD2-CG1 3.89Å; L48-V54 WeakPolarHBondContact CD2-O 3.39Å; L48-V54 HydrophobicContact CG-CG1 4.21Å; L48-L74 HydrophobicContact CD1-CD1 4.07Å; L48-L74 HydrophobicContact CD1-CD2 4.3Å; L48-Y78 HydrophobicContact CB-CD2 4.16Å; L48-Y78 HydrophobicContact CB-CE1 4.28Å; L48-Y78 HydrophobicContact CB-CE2 3.59Å; L48-Y78 HydrophobicContact CD1-CD2 3.93Å; L48-Y78 HydrophobicContact CD1-CE2 3.79Å; L48-Y78 HydrophobicContact CG-CE2 4.3Å; L48-R82 PolarHBondContact O-NH1 2.74Å; L48-R82 VanDerWaalsContact O-NH1 3.17Å; L48-R82 PolarHBondContact O-NH2 3.5Å; L48-I83 HydrophobicContact CD1-CD1 3.66Å; L48-I83 HydrophobicContact CD2-CD1 4.26Å
49	E	98.8	Very high	98.8	Very high	108 Å²	108	34.9 Å²	34.9	51%	0.505	16%	0.155	S	C	.	.	H	α-helix	trans	-70.4	-37.9	172.4	-168.6	-177.6	139.4	0	0	111.6	D45 K77 Y78 K220	D45-E49 WeakPolarHBondContact O-CB 3.33Å; D45-E49 PolarHBondContact O-N 3.31Å; E49-K77 IonicContact OE2-NZ 2.87Å; E49-Y78 PolarHBondContact N-OH 2.84Å; E49-K220 IonicContact OE1-NZ 3.06Å; E49-K220 PolarHBondContact OE1-NZ 3.11Å; E49-K220 IonicContact OE2-NZ 3.86Å; E49-K220 PolarHBondContact OE2-NZ 2.92Å
50	R	98.8	Very high	98.8	Very high	148 Å²	148	38.4 Å²	38.4	56%	0.558	17%	0.172	S	C	*	.	H	α-helix	trans	-78.7	-33.9	-173.6	179.5	176.6	165.4	-77.1	-16.5	114.6	E46 E47	E46-R50 WeakPolarHBondContact O-CB 3.44Å; E46-R50 PolarHBondContact O-N 2.88Å; E47-R50 PolarHBondContact O-N 3.12Å; E47-R50 WeakPolarHBondContact OE2-CD 3.45Å; E47-R50 IonicContact OE2-CZ 3.37Å; E47-R50 IonicContact OE2-NE 2.92Å; E47-R50 IonicContact OE2-NH1 3.62Å; E47-R50 PolarHBondContact OE2-NH1 3.38Å
51	D	98.8	Very high	98.8	Very high	23 Å²	23	38.3 Å²	38.3	12%	0.123	17%	0.171	C	C	.	.			trans	-139.2	113.8	-175.8	-172.7	-17.7	0	0	0	111.1	E47 R53 V54 R82 R106	E47-D51 PolarHBondContact O-N 2.98Å; D51-R53 PolarHBondContact O-N 3.1Å; D51-R53 WeakPolarHBondContact OD1-CB 3.39Å; D51-R53 VanDerWaalsContact OD1-CG 3.3Å; D51-R53 WeakPolarHBondContact OD1-CG 3.4Å; D51-R53 IonicContact OD1-CZ 3.33Å; D51-R53 PolarHBondContact OD1-N 3.13Å; D51-R53 IonicContact OD1-NE 2.65Å; D51-R53 PolarHBondContact OD1-NE 3.33Å; D51-R53 IonicContact OD1-NH2 2.69Å; D51-R53 IonicContact OD2-CZ 3.04Å; D51-R53 IonicContact OD2-NE 3.37Å; D51-R53 PolarHBondContact OD2-NE 2.98Å; D51-R53 IonicContact OD2-NH2 2.62Å; D51-R53 PolarHBondContact OD2-NH2 2.99Å; D51-V54 HydrophobicContact CB-CG2 3.9Å; D51-V54 WeakPolarHBondContact O-CB 3.27Å; D51-V54 PolarHBondContact O-N 3.05Å; D51-R82 PolarHBondContact O-NH2 2.88Å; D51-R106 WeakPolarHBondContact OD2-CD 3.47Å
52	E	98.7	Very high	98.8	Very high	160 Å²	160	36.8 Å²	36.8	75%	0.748	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.6	-177.8	66.7	171.3	161.2	0	0	114.1	R82	E52-R82 PolarHBondContact O-NE 3.4Å
53	R	98.8	Very high	98.7	Very high	106 Å²	106	40.6 Å²	40.6	40%	0.4	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-18	178	-55.2	174.9	-61.7	162.8	-0.3	112.9	D51 L105 R106	D51-R53 PolarHBondContact O-N 3.1Å; D51-R53 WeakPolarHBondContact OD1-CB 3.39Å; D51-R53 VanDerWaalsContact OD1-CG 3.3Å; D51-R53 WeakPolarHBondContact OD1-CG 3.4Å; D51-R53 IonicContact OD1-CZ 3.33Å; D51-R53 PolarHBondContact OD1-N 3.13Å; D51-R53 IonicContact OD1-NE 2.65Å; D51-R53 PolarHBondContact OD1-NE 3.33Å; D51-R53 IonicContact OD1-NH2 2.69Å; D51-R53 IonicContact OD2-CZ 3.04Å; D51-R53 IonicContact OD2-NE 3.37Å; D51-R53 PolarHBondContact OD2-NE 2.98Å; D51-R53 IonicContact OD2-NH2 2.62Å; D51-R53 PolarHBondContact OD2-NH2 2.99Å; R53-L105 HydrophobicContact CB-CD2 4.18Å; R53-L105 HydrophobicContact CG-CD2 4.46Å; R53-R106 HydrophobicContact CB-CG 4.24Å; R53-R106 PolarHBondContact O-N 3.1Å
54	V	98.9	Very high	98.7	Very high	1 Å²	1	47 Å²	47	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	134.8	174.5	178.4	0	0	0	0	108.9	L48 D51 R82 R106 I108 I192	L48-V54 HydrophobicContact CD2-CB 4.37Å; L48-V54 HydrophobicContact CD2-CG1 3.89Å; L48-V54 WeakPolarHBondContact CD2-O 3.39Å; L48-V54 HydrophobicContact CG-CG1 4.21Å; D51-V54 HydrophobicContact CB-CG2 3.9Å; D51-V54 WeakPolarHBondContact O-CB 3.27Å; D51-V54 PolarHBondContact O-N 3.05Å; V54-R82 PolarHBondContact O-NE 3.13Å; V54-R82 PolarHBondContact O-NH2 2.96Å; V54-R106 WeakPolarHBondContact CA-O 3.35Å; V54-R106 HydrophobicContact CB-CB 4.48Å; V54-R106 HydrophobicContact CG2-CB 3.81Å; V54-I108 HydrophobicContact CG1-CD1 3.79Å; V54-I108 HydrophobicContact CG1-CG1 4.16Å; V54-I192 HydrophobicContact CG1-CG2 3.97Å; V54-I192 HydrophobicContact CG2-CG2 3.7Å
55	F	98.9	Very high	98.7	Very high	19 Å²	19	49.7 Å²	49.7	8%	0.083	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	151.9	173.4	73.2	-82.5	0	0	0	110.6	L57 R82 I84 A100 L105 P107 I108	F55-L57 HydrophobicContact CD2-CB 4.49Å; F55-L57 HydrophobicContact CD2-CD2 4.34Å; F55-L57 HydrophobicContact CE2-CB 4.26Å; F55-L57 HydrophobicContact CE2-CD1 4.33Å; F55-L57 HydrophobicContact CE2-CD2 3.77Å; F55-L57 HydrophobicContact CE2-CG 4.34Å; F55-L57 HydrophobicContact CZ-CD2 4.36Å; F55-R82 CarbonylContact C-O 3.48Å; F55-R82 VanDerWaalsContact CA-O 3.32Å; F55-R82 WeakPolarHBondContact CA-O 3.3Å; F55-R82 WeakPolarHBondContact CB-O 3.49Å; F55-I84 HydrophobicContact CD2-CD1 3.76Å; F55-I84 HydrophobicContact CE2-CD1 3.96Å; F55-A100 HydrophobicContact CE1-CB 4.05Å; F55-A100 HydrophobicContact CZ-CB 3.84Å; F55-L105 HydrophobicContact CD1-CB 4.32Å; F55-L105 HydrophobicContact CD1-CD1 4.36Å; F55-L105 HydrophobicContact CE1-CB 3.87Å; F55-L105 HydrophobicContact CE1-CD1 3.84Å; F55-P107 HydrophobicContact CD1-CB 4.26Å; F55-P107 HydrophobicContact CE1-CB 3.66Å; F55-P107 HydrophobicContact CE1-CG 4.08Å; F55-P107 HydrophobicContact CE2-CB 4.31Å; F55-P107 HydrophobicContact CZ-CB 3.71Å; F55-P107 HydrophobicContact CZ-CG 4.29Å; F55-P107 CarbonylContact O-C 3.55Å; F55-P107 WeakPolarHBondContact O-CA 3.31Å; F55-I108 PolarHBondContact O-N 3.35Å
56	L	98.9	Very high	98.7	Very high	0 Å²	0	48 Å²	48	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.9	176.9	175.9	59.6	0	0	0	109.4	M44 V61 L74 R82 I83 I84 I108 E110	M44-L56 HydrophobicContact SD-CD2 4.19Å; L56-V61 HydrophobicContact CD1-CG1 4.37Å; L56-V61 HydrophobicContact CD2-CB 4.03Å; L56-V61 HydrophobicContact CG-CB 4.04Å; L56-V61 HydrophobicContact CG-CG1 4.32Å; L56-V61 HydrophobicContact CG-CG2 4.17Å; L56-L74 HydrophobicContact CD2-CD1 4.4Å; L56-R82 PolarHBondContact N-O 2.88Å; L56-I83 HydrophobicContact CB-CD1 3.85Å; L56-I83 HydrophobicContact CB-CG2 4.4Å; L56-I83 HydrophobicContact CD2-CD1 4.46Å; L56-I83 HydrophobicContact CD2-CG2 4.2Å; L56-I83 HydrophobicContact CG-CG2 4.46Å; L56-I83 CarbonylContact O-C 3.59Å; L56-I83 WeakPolarHBondContact O-CA 3.47Å; L56-I84 PolarHBondContact O-N 3.11Å; L56-I108 WeakPolarHBondContact CA-O 3.34Å; L56-I108 HydrophobicContact CD1-CB 4.07Å; L56-I108 HydrophobicContact CD1-CG2 3.84Å; L56-I108 WeakPolarHBondContact CD1-O 3.37Å; L56-E110 HydrophobicContact CD1-CB 4.12Å
57	L	98.9	Very high	98.5	Very high	5 Å²	5	48 Å²	48	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	145.5	169.7	79.4	163.5	0	0	0	111.1	F55 I84 T86 F93 I96 A97 P107 I108 C109 E110	F55-L57 HydrophobicContact CD2-CB 4.49Å; F55-L57 HydrophobicContact CD2-CD2 4.34Å; F55-L57 HydrophobicContact CE2-CB 4.26Å; F55-L57 HydrophobicContact CE2-CD1 4.33Å; F55-L57 HydrophobicContact CE2-CD2 3.77Å; F55-L57 HydrophobicContact CE2-CG 4.34Å; F55-L57 HydrophobicContact CZ-CD2 4.36Å; L57-I84 WeakPolarHBondContact CA-O 3.27Å; L57-I84 HydrophobicContact CB-CB 4.03Å; L57-T86 HydrophobicContact CB-CG2 4.13Å; L57-T86 HydrophobicContact CD1-CG2 4.33Å; L57-T86 HydrophobicContact CG-CG2 4.49Å; L57-F93 HydrophobicContact CD1-CB 4.23Å; L57-I96 HydrophobicContact CD1-CG2 4.5Å; L57-A97 HydrophobicContact CD1-CB 4.26Å; L57-A97 HydrophobicContact CD2-CB 3.81Å; L57-P107 HydrophobicContact CD2-CB 3.96Å; L57-I108 PolarHBondContact N-O 3.39Å; L57-C109 HydrophobicContact CD2-CB 4.3Å; L57-E110 PolarHBondContact O-N 3.01Å
58	G	98.9	Very high	98.5	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.3	-177.3	176.9	0	0	0	0	0	111.8	V61 I84 D85 T86	G58-V61 WeakPolarHBondContact O-CG2 3.23Å; G58-I84 PolarHBondContact N-O 3.04Å; G58-D85 WeakPolarHBondContact O-CA 3.37Å; G58-T86 WeakPolarHBondContact CA-OG1 3.36Å; G58-T86 PolarHBondContact O-N 2.86Å; G58-T86 PolarHBondContact O-OG1 2.7Å
59	E	98.8	Very high	98.5	Very high	10 Å²	10	53.4 Å²	53.4	5%	0.047	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.1	131.8	177.6	-69.1	157.6	-149.5	0	0	110.9	V61 T86 I88 F93 M112	E59-V61 PolarHBondContact O-N 2.77Å; E59-T86 PolarHBondContact N-OG1 2.72Å; E59-I88 HydrophobicContact CG-CG1 4.14Å; E59-I88 WeakPolarHBondContact OE1-CA 3.31Å; E59-F93 HydrophobicContact CG-CE1 4.14Å; E59-F93 WeakPolarHBondContact OE1-CE1 3.31Å; E59-M112 HydrophobicContact CB-CE 3.93Å
60	E	98.3	Very high	98.5	Very high	73 Å²	73	48.3 Å²	48.3	34%	0.341	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	5.4	176.8	-57.8	-169.2	157.6	0	0	116.8	A62 Y64 G66 A67 D85 M112	E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 2.86Å; E60-Y64 HydrophobicContact CB-CD1 3.86Å; E60-Y64 HydrophobicContact CB-CG 4.29Å; E60-Y64 HydrophobicContact CG-CD1 4.15Å; E60-Y64 WeakPolarHBondContact OE2-CD1 3.25Å; E60-Y64 WeakPolarHBondContact OE2-CE1 3.3Å; E60-G66 WeakPolarHBondContact O-CA 3.48Å; E60-G66 PolarHBondContact O-N 3.26Å; E60-A67 HydrophobicContact CB-CB 4.48Å; E60-A67 WeakPolarHBondContact OE2-CA 3.34Å; E60-A67 WeakPolarHBondContact OE2-CB 3.49Å; E60-D85 VanDerWaalsContact CA-OD1 3.24Å; E60-D85 WeakPolarHBondContact CA-OD1 3.42Å; E60-D85 PolarHBondContact N-OD1 2.75Å; E60-M112 HydrophobicContact CG-CE 4.13Å
61	V	98.6	Very high	98.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-64.2	-22.5	-173.6	-57.8	0	0	0	0	114.7	L56 G58 E59 S71 I83 I84 D85 E110	L56-V61 HydrophobicContact CD1-CG1 4.37Å; L56-V61 HydrophobicContact CD2-CB 4.03Å; L56-V61 HydrophobicContact CG-CB 4.04Å; L56-V61 HydrophobicContact CG-CG1 4.32Å; L56-V61 HydrophobicContact CG-CG2 4.17Å; G58-V61 WeakPolarHBondContact O-CG2 3.23Å; E59-V61 PolarHBondContact O-N 2.77Å; V61-S71 WeakPolarHBondContact O-CB 3.38Å; V61-S71 PolarHBondContact O-OG 2.64Å; V61-I83 HydrophobicContact CG2-CG2 4.22Å; V61-I84 WeakPolarHBondContact CG2-O 3.43Å; V61-D85 PolarHBondContact N-OD1 3.3Å; V61-E110 HydrophobicContact CG1-CB 3.87Å; V61-E110 HydrophobicContact CG1-CG 4.19Å; V61-E110 WeakPolarHBondContact CG1-OE2 3.5Å
62	A	98.7	Very high	98.5	Very high	3 Å²	3	45.9 Å²	45.9	3%	0.025	20%	0.203	C	C	.	.	S	Bend	trans	-105.7	-83.5	-170.4	0	0	0	0	0	113.3	E60 Y64 D65 W75 I83 D85	E60-A62 VanDerWaalsContact C-N 3.25Å; E60-A62 PolarHBondContact O-N 2.86Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 PolarHBondContact O-N 2.82Å; A62-D65 PolarHBondContact O-N 2.76Å; A62-W75 HydrophobicContact CB-CB 3.84Å; A62-W75 HydrophobicContact CB-CG 3.8Å; A62-I83 HydrophobicContact CB-CB 4.37Å; A62-I83 HydrophobicContact CB-CG2 3.82Å; A62-D85 HydrophobicContact CB-CB 4.31Å; A62-D85 WeakPolarHBondContact CB-OD2 3.28Å; A62-D85 PolarHBondContact N-OD1 2.81Å
63	Q	97.6	Very high	98.5	Very high	135 Å²	135	39.8 Å²	39.8	63%	0.631	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-21.7	-171	-63.9	-169.2	8.8	0	0	113.5	D65 W75 D85	Q63-D65 VanDerWaalsContact C-N 3.31Å; Q63-W75 HydrophobicContact CG-CD2 4.17Å; Q63-W75 HydrophobicContact CG-CE3 4.33Å; Q63-W75 HydrophobicContact CG-CH2 4.1Å; Q63-W75 HydrophobicContact CG-CZ2 3.9Å; Q63-W75 HydrophobicContact CG-CZ3 4.3Å; Q63-D85 PolarHBondContact N-OD2 3.27Å
64	Y	98.3	Very high	98.5	Very high	135 Å²	135	34.9 Å²	34.9	53%	0.529	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	9	176.4	-166.6	-111	0	0	0	113.2	E60 A62 G66 K69	E60-Y64 HydrophobicContact CB-CD1 3.86Å; E60-Y64 HydrophobicContact CB-CG 4.29Å; E60-Y64 HydrophobicContact CG-CD1 4.15Å; E60-Y64 WeakPolarHBondContact OE2-CD1 3.25Å; E60-Y64 WeakPolarHBondContact OE2-CE1 3.3Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 PolarHBondContact O-N 2.82Å; Y64-G66 PolarHBondContact O-N 2.92Å; Y64-K69 VanDerWaalsContact O-CE 3.24Å; Y64-K69 WeakPolarHBondContact O-CE 3.34Å; Y64-K69 PolarHBondContact O-NZ 3.49Å
65	D	98.4	Very high	98.5	Very high	57 Å²	57	38.7 Å²	38.7	31%	0.305	18%	0.179	S	C	.	.	S	Bend	trans	59.4	17.7	-174.9	-85.1	-35.8	0	0	0	114.2	A62 Q63 K69 S71 R72 G73	A62-D65 PolarHBondContact O-N 2.76Å; Q63-D65 VanDerWaalsContact C-N 3.31Å; D65-K69 HydrophobicContact CB-CD 3.76Å; D65-K69 CarbonylContact O-C 3.6Å; D65-K69 VanDerWaalsContact O-CA 3.29Å; D65-K69 WeakPolarHBondContact O-CA 3.41Å; D65-S71 CarbonylContact O-C 3.59Å; D65-S71 PolarHBondContact O-OG 2.95Å; D65-R72 HydrophobicContact CB-CB 4.03Å; D65-R72 HydrophobicContact CB-CG 4Å; D65-R72 WeakPolarHBondContact O-CA 3.4Å; D65-R72 PolarHBondContact O-N 2.89Å; D65-R72 VanDerWaalsContact O-N 3.08Å; D65-R72 WeakPolarHBondContact OD1-CA 3.42Å; D65-G73 PolarHBondContact OD1-N 2.65Å
66	G	98.1	Very high	98.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	21%	0.213	C	C	.	.			trans	85	138.6	-174.3	0	0	0	0	0	113	E60 Y64 Y68 K69 S71	E60-G66 WeakPolarHBondContact O-CA 3.48Å; E60-G66 PolarHBondContact O-N 3.26Å; Y64-G66 PolarHBondContact O-N 2.92Å; G66-Y68 PolarHBondContact O-N 3.27Å; G66-K69 VanDerWaalsContact O-CA 3.3Å; G66-K69 WeakPolarHBondContact O-CA 3.29Å; G66-K69 WeakPolarHBondContact O-CD 3.48Å; G66-K69 PolarHBondContact O-N 2.99Å; G66-K69 PolarHBondContact O-NZ 3.25Å; G66-S71 WeakPolarHBondContact CA-OG 3.46Å; G66-S71 PolarHBondContact N-OG 3.18Å
67	A	96.7	Very high	98.5	Very high	22 Å²	22	51.5 Å²	51.5	18%	0.182	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-60.8	-179.1	0	0	0	0	0	112.4	E60 K69 M112	E60-A67 HydrophobicContact CB-CB 4.48Å; E60-A67 WeakPolarHBondContact OE2-CA 3.34Å; E60-A67 WeakPolarHBondContact OE2-CB 3.49Å; A67-K69 VanDerWaalsContact C-N 3.25Å; A67-K69 PolarHBondContact O-N 3.2Å; A67-K69 PolarHBondContact O-NZ 2.92Å; A67-M112 HydrophobicContact CB-CE 4.26Å; A67-M112 HydrophobicContact CB-CG 3.85Å; A67-M112 HydrophobicContact CB-SD 4.27Å
68	Y	97.9	Very high	98.5	Very high	65 Å²	65	53.4 Å²	53.4	26%	0.255	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	10.9	176.2	-62.3	-79.8	0	0	0	114.6	R37 G66 V70 M112 P148 E204 Y207	R37-Y68 PolarHBondContact NE-O 3.1Å; R37-Y68 PolarHBondContact NH2-O 3.37Å; R37-Y68 VanDerWaalsContact NH2-O 3.14Å; G66-Y68 PolarHBondContact O-N 3.27Å; Y68-V70 VanDerWaalsContact C-N 3.33Å; Y68-V70 PolarHBondContact O-N 2.97Å; Y68-M112 HydrophobicContact CE2-CG 4.24Å; Y68-M112 VanDerWaalsContact CE2-O 3.31Å; Y68-M112 WeakPolarHBondContact CE2-O 3.5Å; Y68-P148 HydrophobicContact CD2-CG 3.99Å; Y68-P148 HydrophobicContact CE2-CG 3.78Å; Y68-E204 HydrophobicContact CD1-CG 3.57Å; Y68-E204 HydrophobicContact CE1-CG 3.38Å; Y68-E204 HydrophobicContact CG-CG 4.46Å; Y68-Y207 HydrophobicContact CD1-CD2 4.37Å; Y68-Y207 HydrophobicContact CD1-CE2 4.26Å; Y68-Y207 HydrophobicContact CD2-CE2 4.27Å; Y68-Y207 HydrophobicContact CG-CD2 4.17Å; Y68-Y207 AromaticContact CG-CE2 3.75Å; Y68-Y207 HydrophobicContact CG-CE2 3.75Å
69	K	98.6	Very high	98.5	Very high	51 Å²	51	54.6 Å²	54.6	22%	0.222	26%	0.255	C	S	.	.	S	Bend	trans	63.7	27.7	179.5	-53.5	-72.1	166.5	-91.1	0	115.4	R37 Y64 D65 G66 A67 R72	R37-K69 WeakPolarHBondContact CD-O 3.29Å; Y64-K69 VanDerWaalsContact O-CE 3.24Å; Y64-K69 WeakPolarHBondContact O-CE 3.34Å; Y64-K69 PolarHBondContact O-NZ 3.49Å; D65-K69 HydrophobicContact CB-CD 3.76Å; D65-K69 CarbonylContact O-C 3.6Å; D65-K69 VanDerWaalsContact O-CA 3.29Å; D65-K69 WeakPolarHBondContact O-CA 3.41Å; G66-K69 VanDerWaalsContact O-CA 3.3Å; G66-K69 WeakPolarHBondContact O-CA 3.29Å; G66-K69 WeakPolarHBondContact O-CD 3.48Å; G66-K69 PolarHBondContact O-N 2.99Å; G66-K69 PolarHBondContact O-NZ 3.25Å; A67-K69 VanDerWaalsContact C-N 3.25Å; A67-K69 PolarHBondContact O-N 3.2Å; A67-K69 PolarHBondContact O-NZ 2.92Å; K69-R72 WeakPolarHBondContact O-CB 3.47Å
70	V	98.8	Very high	98.5	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	28%	0.281	C	S	.	.	S	Bend	trans	-77.7	-35.1	179.1	-173.3	0	0	0	0	111.9	R37 L40 N41 M44 Y68 R72 Y207	R37-V70 HydrophobicContact CG-CG2 4.3Å; L40-V70 HydrophobicContact CB-CG1 3.56Å; L40-V70 HydrophobicContact CD1-CG1 4Å; L40-V70 HydrophobicContact CG-CG1 4.43Å; N41-V70 WeakPolarHBondContact CB-O 3.47Å; N41-V70 PolarHBondContact ND2-O 2.94Å; M44-V70 HydrophobicContact CE-CG1 3.85Å; Y68-V70 VanDerWaalsContact C-N 3.33Å; Y68-V70 PolarHBondContact O-N 2.97Å; V70-R72 VanDerWaalsContact C-N 3.32Å; V70-R72 PolarHBondContact O-N 2.97Å; V70-Y207 HydrophobicContact CG2-CD1 4.16Å; V70-Y207 HydrophobicContact CG2-CD2 4.45Å; V70-Y207 HydrophobicContact CG2-CE1 3.86Å; V70-Y207 HydrophobicContact CG2-CE2 4.17Å; V70-Y207 HydrophobicContact CG2-CG 4.46Å
71	S	98.8	Very high	98.5	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.007	30%	0.301	C	S	.	.	S	Bend	trans	-90	11.1	177.2	60.5	0	0	0	0	114.4	V61 D65 G66 G73 L74	V61-S71 WeakPolarHBondContact O-CB 3.38Å; V61-S71 PolarHBondContact O-OG 2.64Å; D65-S71 CarbonylContact O-C 3.59Å; D65-S71 PolarHBondContact O-OG 2.95Å; G66-S71 WeakPolarHBondContact CA-OG 3.46Å; G66-S71 PolarHBondContact N-OG 3.18Å; S71-G73 PolarHBondContact O-N 2.9Å; S71-L74 VanDerWaalsContact O-CB 3.3Å; S71-L74 WeakPolarHBondContact O-CB 3.49Å; S71-L74 VanDerWaalsContact O-CG 3.28Å; S71-L74 WeakPolarHBondContact O-CG 3.35Å; S71-L74 PolarHBondContact O-N 3.33Å; S71-L74 VanDerWaalsContact O-N 3.09Å
72	R	98.8	Very high	98.5	Very high	120 Å²	120	66 Å²	66	45%	0.453	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.3	131.3	-175.9	-178.1	-169.8	-69.2	153.6	-3	112.1	N41 D65 K69 V70 L74	N41-R72 PolarHBondContact ND2-N 2.67Å; N41-R72 PolarHBondContact ND2-O 2.85Å; D65-R72 HydrophobicContact CB-CB 4.03Å; D65-R72 HydrophobicContact CB-CG 4Å; D65-R72 WeakPolarHBondContact O-CA 3.4Å; D65-R72 PolarHBondContact O-N 2.89Å; D65-R72 VanDerWaalsContact O-N 3.08Å; D65-R72 WeakPolarHBondContact OD1-CA 3.42Å; K69-R72 WeakPolarHBondContact O-CB 3.47Å; V70-R72 VanDerWaalsContact C-N 3.32Å; V70-R72 PolarHBondContact O-N 2.97Å; R72-L74 PolarHBondContact O-N 2.91Å
73	G	98.7	Very high	98.5	Very high	32 Å²	32	65.9 Å²	65.9	33%	0.33	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-16	177	0	0	0	0	0	115.3	D65 S71 W75 K76 K77	D65-G73 PolarHBondContact OD1-N 2.65Å; S71-G73 PolarHBondContact O-N 2.9Å; G73-W75 PolarHBondContact O-N 2.97Å; G73-K76 PolarHBondContact O-N 2.95Å; G73-K77 PolarHBondContact O-N 2.94Å
74	L	98.9	Very high	98.6	Very high	3 Å²	3	62.2 Å²	62.2	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-64	-43.8	-175.8	-60.6	-179.9	0	0	0	111.6	M44 D45 L48 L56 S71 R72 K76 K77 Y78 I83	M44-L74 HydrophobicContact CB-CD1 3.91Å; M44-L74 HydrophobicContact CE-CD1 4.02Å; D45-L74 HydrophobicContact CB-CD2 3.76Å; L48-L74 HydrophobicContact CD1-CD1 4.07Å; L48-L74 HydrophobicContact CD1-CD2 4.3Å; L56-L74 HydrophobicContact CD2-CD1 4.4Å; S71-L74 VanDerWaalsContact O-CB 3.3Å; S71-L74 WeakPolarHBondContact O-CB 3.49Å; S71-L74 VanDerWaalsContact O-CG 3.28Å; S71-L74 WeakPolarHBondContact O-CG 3.35Å; S71-L74 PolarHBondContact O-N 3.33Å; S71-L74 VanDerWaalsContact O-N 3.09Å; R72-L74 PolarHBondContact O-N 2.91Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 3.45Å; L74-K77 PolarHBondContact O-N 3.35Å; L74-K77 VanDerWaalsContact O-N 3.07Å; L74-Y78 HydrophobicContact CB-CD2 4.49Å; L74-Y78 HydrophobicContact CD2-CE2 4.27Å; L74-Y78 WeakPolarHBondContact O-CD2 3.34Å; L74-Y78 PolarHBondContact O-N 3.24Å; L74-I83 HydrophobicContact CB-CD1 3.74Å; L74-I83 HydrophobicContact CB-CG1 4.03Å; L74-I83 HydrophobicContact CD1-CD1 4.48Å
75	W	98.8	Very high	98.6	Very high	80 Å²	80	58.8 Å²	58.8	30%	0.303	28%	0.281	S	S	.	.	H	α-helix	trans	-61.4	-41.8	176.3	170.7	76.6	0	0	0	111.7	A62 Q63 G73 K77 Y78 G79 D80 I83	A62-W75 HydrophobicContact CB-CB 3.84Å; A62-W75 HydrophobicContact CB-CG 3.8Å; Q63-W75 HydrophobicContact CG-CD2 4.17Å; Q63-W75 HydrophobicContact CG-CE3 4.33Å; Q63-W75 HydrophobicContact CG-CH2 4.1Å; Q63-W75 HydrophobicContact CG-CZ2 3.9Å; Q63-W75 HydrophobicContact CG-CZ3 4.3Å; G73-W75 PolarHBondContact O-N 2.97Å; W75-K77 PolarHBondContact O-N 2.95Å; W75-Y78 PolarHBondContact O-N 3.44Å; W75-G79 WeakPolarHBondContact O-CA 3.33Å; W75-G79 PolarHBondContact O-N 3.44Å; W75-D80 PolarHBondContact NE1-OD1 3.3Å; W75-I83 HydrophobicContact CB-CB 4Å; W75-I83 HydrophobicContact CB-CG1 4.46Å; W75-I83 HydrophobicContact CB-CG2 4.02Å
76	K	98.8	Very high	98.6	Very high	185 Å²	185	57.3 Å²	57.3	80%	0.804	27%	0.274	S	S	*	.	H	α-helix	trans	-64.5	-24.1	175.8	-172.8	175.3	178	179.9	0	113.2	G73 L74	G73-K76 PolarHBondContact O-N 2.95Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 3.45Å
77	K	98.8	Very high	98.6	Very high	103 Å²	103	61.9 Å²	61.9	45%	0.448	30%	0.304	S	S	.	.	H	α-helix	trans	-87.1	-37.3	176.5	-170.3	179.5	175.5	-166.1	0	113	D45 E49 G73 L74 W75	D45-K77 VanDerWaalsContact OD1-CD 3.26Å; D45-K77 WeakPolarHBondContact OD1-CD 3.37Å; D45-K77 WeakPolarHBondContact OD1-CE 3.42Å; D45-K77 IonicContact OD1-NZ 2.71Å; D45-K77 PolarHBondContact OD1-NZ 3.04Å; D45-K77 IonicContact OD2-NZ 3.94Å; D45-K77 PolarHBondContact OD2-NZ 3.08Å; E49-K77 IonicContact OE2-NZ 2.87Å; G73-K77 PolarHBondContact O-N 2.94Å; L74-K77 PolarHBondContact O-N 3.35Å; L74-K77 VanDerWaalsContact O-N 3.07Å; W75-K77 PolarHBondContact O-N 2.95Å
78	Y	98.9	Very high	98.7	Very high	45 Å²	45	67.1 Å²	67.1	18%	0.176	33%	0.328	C	S	.	.	H	α-helix	trans	-119.8	-13.3	-168.2	-61.1	-67.1	0	0	0	116.5	D45 L48 E49 L74 W75 I83	D45-Y78 PolarHBondContact O-OH 3.16Å; D45-Y78 WeakPolarHBondContact OD1-CE2 3.4Å; D45-Y78 VanDerWaalsContact OD1-CZ 3.28Å; D45-Y78 PolarHBondContact OD1-OH 3.3Å; L48-Y78 HydrophobicContact CB-CD2 4.16Å; L48-Y78 HydrophobicContact CB-CE1 4.28Å; L48-Y78 HydrophobicContact CB-CE2 3.59Å; L48-Y78 HydrophobicContact CD1-CD2 3.93Å; L48-Y78 HydrophobicContact CD1-CE2 3.79Å; L48-Y78 HydrophobicContact CG-CE2 4.3Å; E49-Y78 PolarHBondContact N-OH 2.84Å; L74-Y78 HydrophobicContact CB-CD2 4.49Å; L74-Y78 HydrophobicContact CD2-CE2 4.27Å; L74-Y78 WeakPolarHBondContact O-CD2 3.34Å; L74-Y78 PolarHBondContact O-N 3.24Å; W75-Y78 PolarHBondContact O-N 3.44Å; Y78-I83 HydrophobicContact CD2-CD1 4.48Å
79	G	98.7	Very high	98.8	Very high	26 Å²	26	67 Å²	67	27%	0.268	34%	0.336	S	S	.	.			trans	70.6	179.4	175.6	0	0	0	0	0	116.2	W75 K81 R82 I83	W75-G79 WeakPolarHBondContact O-CA 3.33Å; W75-G79 PolarHBondContact O-N 3.44Å; G79-K81 PolarHBondContact O-N 2.93Å; G79-R82 PolarHBondContact O-N 3.44Å; G79-I83 PolarHBondContact O-N 2.98Å
80	D	98.5	Very high	98.8	Very high	114 Å²	114	64.9 Å²	64.9	61%	0.61	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-19.8	-168.3	-46.6	-54.4	0	0	0	114.8	W75	W75-D80 PolarHBondContact NE1-OD1 3.3Å
81	K	98.6	Very high	98.8	Very high	174 Å²	174	68.6 Å²	68.6	76%	0.757	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-26.6	176.4	-175.5	-178.3	173.8	-164.3	0	112.5	G79	G79-K81 PolarHBondContact O-N 2.93Å
82	R	98.8	Very high	98.8	Very high	33 Å²	33	70.4 Å²	70.4	13%	0.125	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-25.8	-169	-62	-65.8	-62.1	-72.8	9.3	113.3	L48 D51 E52 V54 F55 L56 G79	L48-R82 PolarHBondContact O-NH1 2.74Å; L48-R82 VanDerWaalsContact O-NH1 3.17Å; L48-R82 PolarHBondContact O-NH2 3.5Å; D51-R82 PolarHBondContact O-NH2 2.88Å; E52-R82 PolarHBondContact O-NE 3.4Å; V54-R82 PolarHBondContact O-NE 3.13Å; V54-R82 PolarHBondContact O-NH2 2.96Å; F55-R82 CarbonylContact C-O 3.48Å; F55-R82 VanDerWaalsContact CA-O 3.32Å; F55-R82 WeakPolarHBondContact CA-O 3.3Å; F55-R82 WeakPolarHBondContact CB-O 3.49Å; L56-R82 PolarHBondContact N-O 2.88Å; G79-R82 PolarHBondContact O-N 3.44Å
83	I	98.9	Very high	98.8	Very high	1 Å²	1	65 Å²	65	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	112.6	179.1	-44.5	-69.1	0	0	0	107.3	L48 L56 V61 A62 L74 W75 Y78 G79	L48-I83 HydrophobicContact CD1-CD1 3.66Å; L48-I83 HydrophobicContact CD2-CD1 4.26Å; L56-I83 HydrophobicContact CB-CD1 3.85Å; L56-I83 HydrophobicContact CB-CG2 4.4Å; L56-I83 HydrophobicContact CD2-CD1 4.46Å; L56-I83 HydrophobicContact CD2-CG2 4.2Å; L56-I83 HydrophobicContact CG-CG2 4.46Å; L56-I83 CarbonylContact O-C 3.59Å; L56-I83 WeakPolarHBondContact O-CA 3.47Å; V61-I83 HydrophobicContact CG2-CG2 4.22Å; A62-I83 HydrophobicContact CB-CB 4.37Å; A62-I83 HydrophobicContact CB-CG2 3.82Å; L74-I83 HydrophobicContact CB-CD1 3.74Å; L74-I83 HydrophobicContact CB-CG1 4.03Å; L74-I83 HydrophobicContact CD1-CD1 4.48Å; W75-I83 HydrophobicContact CB-CB 4Å; W75-I83 HydrophobicContact CB-CG1 4.46Å; W75-I83 HydrophobicContact CB-CG2 4.02Å; Y78-I83 HydrophobicContact CD2-CD1 4.48Å; G79-I83 PolarHBondContact O-N 2.98Å
84	I	98.9	Very high	98.8	Very high	59 Å²	59	63.5 Å²	63.5	30%	0.303	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	108.3	-161	-50.4	179.2	0	0	0	110.3	F55 L56 L57 G58 V61 T86	F55-I84 HydrophobicContact CD2-CD1 3.76Å; F55-I84 HydrophobicContact CE2-CD1 3.96Å; L56-I84 PolarHBondContact O-N 3.11Å; L57-I84 WeakPolarHBondContact CA-O 3.27Å; L57-I84 HydrophobicContact CB-CB 4.03Å; G58-I84 PolarHBondContact N-O 3.04Å; V61-I84 WeakPolarHBondContact CG2-O 3.43Å; I84-T86 PolarHBondContact O-N 3.26Å
85	D	98.8	Very high	98.8	Very high	63 Å²	63	64.2 Å²	64.2	34%	0.337	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	127.9	166.4	-78.7	-36.8	0	0	0	109.8	G58 E60 V61 A62 Q63	G58-D85 WeakPolarHBondContact O-CA 3.37Å; E60-D85 VanDerWaalsContact CA-OD1 3.24Å; E60-D85 WeakPolarHBondContact CA-OD1 3.42Å; E60-D85 PolarHBondContact N-OD1 2.75Å; V61-D85 PolarHBondContact N-OD1 3.3Å; A62-D85 HydrophobicContact CB-CB 4.31Å; A62-D85 WeakPolarHBondContact CB-OD2 3.28Å; A62-D85 PolarHBondContact N-OD1 2.81Å; Q63-D85 PolarHBondContact N-OD2 3.27Å
86	T	98.8	Very high	98.8	Very high	25 Å²	25	65.9 Å²	65.9	15%	0.153	35%	0.35	C	S	.	.			trans	-106.4	155.8	177.1	63.3	0	0	0	0	112	L57 G58 E59 I84 F93	L57-T86 HydrophobicContact CB-CG2 4.13Å; L57-T86 HydrophobicContact CD1-CG2 4.33Å; L57-T86 HydrophobicContact CG-CG2 4.49Å; G58-T86 WeakPolarHBondContact CA-OG1 3.36Å; G58-T86 PolarHBondContact O-N 2.86Å; G58-T86 PolarHBondContact O-OG1 2.7Å; E59-T86 PolarHBondContact N-OG1 2.72Å; I84-T86 PolarHBondContact O-N 3.26Å; T86-F93 HydrophobicContact CG2-CB 3.81Å; T86-F93 HydrophobicContact CG2-CD1 4.31Å; T86-F93 HydrophobicContact CG2-CG 4.11Å; T86-F93 VanDerWaalsContact OG1-CD1 3.26Å; T86-F93 WeakPolarHBondContact OG1-CD1 3.42Å; T86-F93 WeakPolarHBondContact OG1-CE1 3.43Å
87	P	98.7	Very high	98.8	Very high	97 Å²	97	57 Å²	57	63%	0.63	31%	0.312	S	S	*	.			trans	-59.2	156.3	160.4	-19	32.2	0	0	0	111.1	S89	P87-S89 PolarHBondContact O-N 3.5Å
88	I	98.7	Very high	98.8	Very high	131 Å²	131	52.3 Å²	52.3	67%	0.672	29%	0.291	S	S	*	.	S	Bend	trans	-68.7	94.4	170.2	-53.7	171.1	0	0	0	107.6	E59	E59-I88 HydrophobicContact CG-CG1 4.14Å; E59-I88 WeakPolarHBondContact OE1-CA 3.31Å
89	S	98.7	Very high	98.8	Very high	62 Å²	62	52 Å²	52	43%	0.434	30%	0.302	S	S	.	.			trans	-169	56.8	-165.4	-73.4	0	0	0	0	110.1	P87 M91 G92 F93	P87-S89 PolarHBondContact O-N 3.5Å; S89-M91 PolarHBondContact O-N 2.85Å; S89-G92 WeakPolarHBondContact O-CA 3.16Å; S89-G92 PolarHBondContact O-N 3.46Å; S89-F93 WeakPolarHBondContact O-CD1 3.36Å; S89-F93 PolarHBondContact O-N 3.35Å
90	E	98.9	Very high	98.8	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.037	30%	0.296	C	S	.	.	H	α-helix	trans	-56.6	-43.8	-165.6	-55.1	96.1	113.3	0	0	113	G92 F93 A94 F111 F116 Q119 A120	E90-G92 VanDerWaalsContact C-N 3.26Å; E90-G92 PolarHBondContact O-N 2.78Å; E90-F93 VanDerWaalsContact CA-CE1 3.45Å; E90-F93 HydrophobicContact CB-CE1 4.19Å; E90-F93 HydrophobicContact CB-CZ 4.15Å; E90-F93 HydrophobicContact CG-CE1 4.03Å; E90-F93 HydrophobicContact CG-CZ 4.01Å; E90-A94 WeakPolarHBondContact O-CB 3.33Å; E90-A94 PolarHBondContact O-N 3.29Å; E90-F111 HydrophobicContact CB-CD1 4.22Å; E90-F111 HydrophobicContact CB-CE1 4.04Å; E90-F111 HydrophobicContact CG-CD1 4.36Å; E90-F116 HydrophobicContact CG-CB 4.29Å; E90-F116 WeakPolarHBondContact OE1-CB 3.33Å; E90-Q119 HydrophobicContact CB-CB 4.14Å; E90-Q119 PolarHBondContact OE1-NE2 3.29Å; E90-Q119 PolarHBondContact OE2-NE2 2.86Å; E90-A120 HydrophobicContact CB-CB 4.09Å
91	M	98.9	Very high	98.8	Very high	79 Å²	79	46.3 Å²	46.3	39%	0.389	27%	0.268	S	S	.	.	H	α-helix	trans	-57.4	-39.6	173.5	179.6	62.6	90.6	0	0	112.3	S89 G95 Q119 D122 Q123	S89-M91 PolarHBondContact O-N 2.85Å; M91-G95 PolarHBondContact O-N 2.89Å; M91-G95 VanDerWaalsContact O-N 3.15Å; M91-Q119 WeakPolarHBondContact CE-O 3.1Å; M91-D122 HydrophobicContact CE-CB 3.92Å; M91-D122 HydrophobicContact SD-CB 4.49Å; M91-Q123 HydrophobicContact SD-CG 3.63Å
92	G	98.8	Very high	98.9	Very high	38 Å²	38	40.6 Å²	40.6	39%	0.392	25%	0.245	S	C	.	.	H	α-helix	trans	-71.6	-53.5	-178.4	0	0	0	0	0	112.1	S89 E90 G95 I96	S89-G92 WeakPolarHBondContact O-CA 3.16Å; S89-G92 PolarHBondContact O-N 3.46Å; E90-G92 VanDerWaalsContact C-N 3.26Å; E90-G92 PolarHBondContact O-N 2.78Å; G92-G95 PolarHBondContact O-N 2.88Å; G92-I96 WeakPolarHBondContact O-CG1 3.45Å; G92-I96 PolarHBondContact O-N 3.28Å
93	F	98.9	Very high	98.9	Very high	7 Å²	7	43.1 Å²	43.1	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-71.9	-31.8	-178.2	69.5	-112.6	0	0	0	113	L57 E59 T86 S89 E90 I96 A97 E110 F111	L57-F93 HydrophobicContact CD1-CB 4.23Å; E59-F93 HydrophobicContact CG-CE1 4.14Å; E59-F93 WeakPolarHBondContact OE1-CE1 3.31Å; T86-F93 HydrophobicContact CG2-CB 3.81Å; T86-F93 HydrophobicContact CG2-CD1 4.31Å; T86-F93 HydrophobicContact CG2-CG 4.11Å; T86-F93 VanDerWaalsContact OG1-CD1 3.26Å; T86-F93 WeakPolarHBondContact OG1-CD1 3.42Å; T86-F93 WeakPolarHBondContact OG1-CE1 3.43Å; S89-F93 WeakPolarHBondContact O-CD1 3.36Å; S89-F93 PolarHBondContact O-N 3.35Å; E90-F93 VanDerWaalsContact CA-CE1 3.45Å; E90-F93 HydrophobicContact CB-CE1 4.19Å; E90-F93 HydrophobicContact CB-CZ 4.15Å; E90-F93 HydrophobicContact CG-CE1 4.03Å; E90-F93 HydrophobicContact CG-CZ 4.01Å; F93-I96 PolarHBondContact O-N 2.83Å; F93-A97 WeakPolarHBondContact O-CB 3.22Å; F93-A97 PolarHBondContact O-N 3.35Å; F93-E110 WeakPolarHBondContact CE2-O 3.32Å; F93-F111 AromaticContact CE2-CD1 3.92Å; F93-F111 HydrophobicContact CE2-CD1 3.92Å; F93-F111 AromaticContact CE2-CE1 3.9Å; F93-F111 HydrophobicContact CE2-CE1 3.9Å; F93-F111 HydrophobicContact CZ-CD1 4.02Å; F93-F111 HydrophobicContact CZ-CE1 4.29Å
94	A	98.9	Very high	98.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-41	170.3	0	0	0	0	0	111.8	E90 A97 V98 F111 A120 Q123 F145	E90-A94 WeakPolarHBondContact O-CB 3.33Å; E90-A94 PolarHBondContact O-N 3.29Å; A94-A97 PolarHBondContact O-N 3.42Å; A94-V98 WeakPolarHBondContact O-CG2 3.37Å; A94-V98 PolarHBondContact O-N 3.47Å; A94-F111 HydrophobicContact CB-CE1 4.19Å; A94-F111 HydrophobicContact CB-CZ 3.98Å; A94-A120 HydrophobicContact CB-CB 3.77Å; A94-Q123 HydrophobicContact CB-CB 4.09Å; A94-Q123 HydrophobicContact CB-CG 4.34Å; A94-F145 HydrophobicContact CB-CE1 4.25Å
95	G	98.9	Very high	98.8	Very high	19 Å²	19	45.4 Å²	45.4	20%	0.196	29%	0.294	C	S	.	.	H	α-helix	trans	-63.9	-41	174.4	0	0	0	0	0	112.9	M91 G92 V98 G99	M91-G95 PolarHBondContact O-N 2.89Å; M91-G95 VanDerWaalsContact O-N 3.15Å; G92-G95 PolarHBondContact O-N 2.88Å; G95-V98 PolarHBondContact O-N 3.49Å; G95-G99 PolarHBondContact O-N 2.88Å
96	I	98.9	Very high	98.9	Very high	114 Å²	114	43.4 Å²	43.4	59%	0.585	28%	0.281	S	S	*	.	H	α-helix	trans	-61.7	-43.7	173.3	-70.5	163.9	0	0	0	110.9	L57 G92 F93 G99 A100	L57-I96 HydrophobicContact CD1-CG2 4.5Å; G92-I96 WeakPolarHBondContact O-CG1 3.45Å; G92-I96 PolarHBondContact O-N 3.28Å; F93-I96 PolarHBondContact O-N 2.83Å; I96-G99 PolarHBondContact O-N 3.5Å; I96-A100 WeakPolarHBondContact O-CB 3.48Å; I96-A100 PolarHBondContact O-N 3.15Å
97	A	98.9	Very high	98.9	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-46.5	176.2	0	0	0	0	0	111.6	L57 F93 A94 G99 A100 A101 P107 C109 I143	L57-A97 HydrophobicContact CD1-CB 4.26Å; L57-A97 HydrophobicContact CD2-CB 3.81Å; F93-A97 WeakPolarHBondContact O-CB 3.22Å; F93-A97 PolarHBondContact O-N 3.35Å; A94-A97 PolarHBondContact O-N 3.42Å; A97-G99 PolarHBondContact O-N 2.9Å; A97-A100 PolarHBondContact O-N 2.87Å; A97-A101 WeakPolarHBondContact O-CB 3Å; A97-A101 PolarHBondContact O-N 3.39Å; A97-P107 HydrophobicContact CB-CB 4.05Å; A97-P107 HydrophobicContact CB-CG 4.2Å; A97-P107 WeakPolarHBondContact O-CG 3.43Å; A97-C109 HydrophobicContact CB-CB 4.11Å; A97-I143 HydrophobicContact CB-CD1 3.55Å
98	V	98.9	Very high	98.9	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	24%	0.244	C	C	.	.	H	α-helix	trans	-62	-42.9	177.3	172.5	0	0	0	0	111.5	A94 G95 A100 A101 M102 Q123 A128 V141 I143 F145	A94-V98 WeakPolarHBondContact O-CG2 3.37Å; A94-V98 PolarHBondContact O-N 3.47Å; G95-V98 PolarHBondContact O-N 3.49Å; V98-A100 PolarHBondContact O-N 3.1Å; V98-A101 PolarHBondContact O-N 3.26Å; V98-M102 HydrophobicContact CG1-CE 3.68Å; V98-M102 HydrophobicContact CG1-SD 4.44Å; V98-M102 WeakPolarHBondContact O-CG 3.4Å; V98-M102 PolarHBondContact O-N 2.73Å; V98-Q123 HydrophobicContact CG2-CB 4.44Å; V98-A128 HydrophobicContact CG1-CB 4.23Å; V98-A128 HydrophobicContact CG2-CB 3.84Å; V98-V141 HydrophobicContact CG1-CG1 4.13Å; V98-I143 HydrophobicContact CG2-CD1 3.86Å; V98-F145 HydrophobicContact CG2-CZ 3.77Å
99	G	98.9	Very high	98.9	Very high	39 Å²	39	31.4 Å²	31.4	40%	0.402	21%	0.212	S	C	.	.	H	α-helix	trans	-62.6	-40.4	174.3	0	0	0	0	0	113.2	G95 I96 A97 M102 A103	G95-G99 PolarHBondContact O-N 2.88Å; I96-G99 PolarHBondContact O-N 3.5Å; A97-G99 PolarHBondContact O-N 2.9Å; G99-M102 PolarHBondContact O-N 2.85Å; G99-A103 WeakPolarHBondContact O-CB 3.33Å; G99-A103 PolarHBondContact O-N 2.87Å
100	A	98.9	Very high	98.9	Very high	18 Å²	18	28.6 Å²	28.6	15%	0.149	19%	0.192	C	C	.	.	H	α-helix	trans	-65.4	-39.3	175.3	0	0	0	0	0	112.5	F55 I96 A97 V98 A103 G104 L105 P107	F55-A100 HydrophobicContact CE1-CB 4.05Å; F55-A100 HydrophobicContact CZ-CB 3.84Å; I96-A100 WeakPolarHBondContact O-CB 3.48Å; I96-A100 PolarHBondContact O-N 3.15Å; A97-A100 PolarHBondContact O-N 2.87Å; V98-A100 PolarHBondContact O-N 3.1Å; A100-A103 CarbonylContact O-C 3.43Å; A100-A103 PolarHBondContact O-N 2.99Å; A100-G104 PolarHBondContact O-N 3.2Å; A100-L105 HydrophobicContact CB-CB 4.44Å; A100-L105 HydrophobicContact CB-CD1 4.27Å; A100-L105 WeakPolarHBondContact O-CB 3.29Å; A100-L105 PolarHBondContact O-N 2.91Å; A100-P107 HydrophobicContact CB-CG 4.4Å
101	A	98.9	Very high	98.9	Very high	2 Å²	2	28.2 Å²	28.2	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-62.8	-45.3	173.6	0	0	0	0	0	111.6	A97 V98 A103 G104 P107 V141 P142 I143	A97-A101 WeakPolarHBondContact O-CB 3Å; A97-A101 PolarHBondContact O-N 3.39Å; V98-A101 PolarHBondContact O-N 3.26Å; A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 2.79Å; A101-G104 PolarHBondContact O-N 3.4Å; A101-P107 HydrophobicContact CB-CG 3.89Å; A101-V141 HydrophobicContact CB-CG1 3.86Å; A101-P142 HydrophobicContact CB-CG 4.33Å; A101-P142 WeakPolarHBondContact CB-O 3.49Å; A101-I143 HydrophobicContact CB-CB 4.08Å
102	M	98.9	Very high	98.9	Very high	54 Å²	54	26.3 Å²	26.3	27%	0.266	18%	0.182	S	C	.	.	H	α-helix	trans	-61.4	-35	175.4	-71.2	179.7	-176.6	0	0	112.7	V98 G99 G104 S127 T131 Q139 V141	V98-M102 HydrophobicContact CG1-CE 3.68Å; V98-M102 HydrophobicContact CG1-SD 4.44Å; V98-M102 WeakPolarHBondContact O-CG 3.4Å; V98-M102 PolarHBondContact O-N 2.73Å; G99-M102 PolarHBondContact O-N 2.85Å; M102-G104 PolarHBondContact O-N 2.78Å; M102-S127 WeakPolarHBondContact CE-O 3.12Å; M102-T131 HydrophobicContact CE-CG2 3.74Å; M102-Q139 VanDerWaalsContact CA-NE2 3.34Å; M102-Q139 HydrophobicContact CB-CG 4.48Å; M102-Q139 HydrophobicContact CG-CG 4.03Å; M102-Q139 PolarHBondContact O-NE2 2.7Å; M102-Q139 HydrophobicContact SD-CG 4.35Å; M102-V141 HydrophobicContact CE-CG2 3.77Å; M102-V141 HydrophobicContact CG-CG2 4.03Å
103	A	98.9	Very high	98.9	Very high	86 Å²	86	25 Å²	25	71%	0.711	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	3.6	174.4	0	0	0	0	0	114.4	G99 A100 A101	G99-A103 WeakPolarHBondContact O-CB 3.33Å; G99-A103 PolarHBondContact O-N 2.87Å; A100-A103 CarbonylContact O-C 3.43Å; A100-A103 PolarHBondContact O-N 2.99Å; A101-A103 VanDerWaalsContact C-N 3.26Å; A101-A103 PolarHBondContact O-N 2.79Å
104	G	98.5	Very high	98.9	Very high	36 Å²	36	24.6 Å²	24.6	37%	0.371	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.8	7.9	172.8	0	0	0	0	0	116.2	A100 A101 M102	A100-G104 PolarHBondContact O-N 3.2Å; A101-G104 PolarHBondContact O-N 3.4Å; M102-G104 PolarHBondContact O-N 2.78Å
105	L	98.9	Very high	98.9	Very high	73 Å²	73	25 Å²	25	38%	0.382	17%	0.166	S	C	.	.			trans	-82.3	176.3	167.2	-59.1	-178.4	0	0	0	111.2	R53 F55 A100 P107 P142	R53-L105 HydrophobicContact CB-CD2 4.18Å; R53-L105 HydrophobicContact CG-CD2 4.46Å; F55-L105 HydrophobicContact CD1-CB 4.32Å; F55-L105 HydrophobicContact CD1-CD1 4.36Å; F55-L105 HydrophobicContact CE1-CB 3.87Å; F55-L105 HydrophobicContact CE1-CD1 3.84Å; A100-L105 HydrophobicContact CB-CB 4.44Å; A100-L105 HydrophobicContact CB-CD1 4.27Å; A100-L105 WeakPolarHBondContact O-CB 3.29Å; A100-L105 PolarHBondContact O-N 2.91Å; L105-P107 VanDerWaalsContact C-CD 3.49Å; L105-P142 WeakPolarHBondContact O-CG 3.36Å
106	R	98.9	Very high	98.9	Very high	20 Å²	20	26.4 Å²	26.4	8%	0.075	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	66.8	-179.5	-55.1	-169.1	78	84	-3.3	112.3	D51 R53 V54 P142 I192 R193 D194 D195	D51-R106 WeakPolarHBondContact OD2-CD 3.47Å; R53-R106 HydrophobicContact CB-CG 4.24Å; R53-R106 PolarHBondContact O-N 3.1Å; V54-R106 WeakPolarHBondContact CA-O 3.35Å; V54-R106 HydrophobicContact CB-CB 4.48Å; V54-R106 HydrophobicContact CG2-CB 3.81Å; R106-P142 HydrophobicContact CG-CB 4.48Å; R106-I192 PolarHBondContact NE-O 2.87Å; R106-I192 PolarHBondContact NH2-O 3.23Å; R106-R193 VanDerWaalsContact NH2-C 3.29Å; R106-R193 PolarHBondContact NH2-O 2.72Å; R106-D194 VanDerWaalsContact NH2-C 3.31Å; R106-D194 PolarHBondContact NH2-O 3.07Å; R106-D195 IonicContact CZ-OD1 3.23Å; R106-D195 IonicContact NH1-OD1 2.71Å; R106-D195 PolarHBondContact NH1-OD1 3.37Å; R106-D195 IonicContact NH2-OD1 2.72Å; R106-D195 PolarHBondContact NH2-OD1 3.48Å
107	P	98.9	Very high	98.9	Very high	1 Å²	1	21 Å²	21	1%	0.006	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.4	-175.6	16.3	-22.8	0	0	0	114.1	F55 L57 A97 A100 A101 L105 I143 V144	F55-P107 HydrophobicContact CD1-CB 4.26Å; F55-P107 HydrophobicContact CE1-CB 3.66Å; F55-P107 HydrophobicContact CE1-CG 4.08Å; F55-P107 HydrophobicContact CE2-CB 4.31Å; F55-P107 HydrophobicContact CZ-CB 3.71Å; F55-P107 HydrophobicContact CZ-CG 4.29Å; F55-P107 CarbonylContact O-C 3.55Å; F55-P107 WeakPolarHBondContact O-CA 3.31Å; L57-P107 HydrophobicContact CD2-CB 3.96Å; A97-P107 HydrophobicContact CB-CB 4.05Å; A97-P107 HydrophobicContact CB-CG 4.2Å; A97-P107 WeakPolarHBondContact O-CG 3.43Å; A100-P107 HydrophobicContact CB-CG 4.4Å; A101-P107 HydrophobicContact CB-CG 3.89Å; L105-P107 VanDerWaalsContact C-CD 3.49Å; P107-I143 HydrophobicContact CG-CB 4.46Å; P107-I143 HydrophobicContact CG-CD1 4.14Å; P107-I143 HydrophobicContact CG-CG1 4.11Å; P107-V144 PolarHBondContact O-N 3.49Å
108	I	99	Very high	98.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	106.6	161.9	-52.1	173.7	0	0	0	105.7	M44 V54 F55 L56 L57 R146 I192	M44-I108 HydrophobicContact CG-CD1 4.12Å; M44-I108 HydrophobicContact SD-CD1 4.43Å; M44-I108 HydrophobicContact SD-CG2 4.37Å; V54-I108 HydrophobicContact CG1-CD1 3.79Å; V54-I108 HydrophobicContact CG1-CG1 4.16Å; F55-I108 PolarHBondContact O-N 3.35Å; L56-I108 WeakPolarHBondContact CA-O 3.34Å; L56-I108 HydrophobicContact CD1-CB 4.07Å; L56-I108 HydrophobicContact CD1-CG2 3.84Å; L56-I108 WeakPolarHBondContact CD1-O 3.37Å; L57-I108 PolarHBondContact N-O 3.39Å; I108-R146 HydrophobicContact CG2-CG 3.72Å; I108-I192 HydrophobicContact CD1-CD1 3.57Å; I108-I192 HydrophobicContact CD1-CG1 3.9Å; I108-I192 HydrophobicContact CG1-CD1 4.33Å; I108-I192 HydrophobicContact CG1-CG1 4.09Å
109	C	98.9	Very high	98.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.3	179	-173.8	0	0	0	0	108.7	L57 A97 I143 V144 F145 R146	L57-C109 HydrophobicContact CD2-CB 4.3Å; A97-C109 HydrophobicContact CB-CB 4.11Å; C109-I143 HydrophobicContact CB-CD1 4.48Å; C109-V144 PolarHBondContact N-O 2.7Å; C109-F145 HydrophobicContact CB-CD1 3.75Å; C109-F145 HydrophobicContact CB-CE1 4.13Å; C109-F145 WeakPolarHBondContact O-CA 3.45Å; C109-R146 PolarHBondContact O-N 2.66Å
110	E	98.9	Very high	98.9	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.014	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	124.7	175	179.9	157	-156	0	0	110.9	L56 L57 V61 F93 R146	L56-E110 HydrophobicContact CD1-CB 4.12Å; L57-E110 PolarHBondContact O-N 3.01Å; V61-E110 HydrophobicContact CG1-CB 3.87Å; V61-E110 HydrophobicContact CG1-CG 4.19Å; V61-E110 WeakPolarHBondContact CG1-OE2 3.5Å; F93-E110 WeakPolarHBondContact CE2-O 3.32Å; E110-R146 WeakPolarHBondContact CA-O 3.26Å; E110-R146 IonicContact OE1-CZ 3.51Å; E110-R146 IonicContact OE1-NH1 2.77Å; E110-R146 PolarHBondContact OE1-NH1 3.29Å; E110-R146 IonicContact OE1-NH2 3.25Å; E110-R146 PolarHBondContact OE1-NH2 2.88Å; E110-R146 IonicContact OE2-CZ 3.54Å; E110-R146 IonicContact OE2-NH1 3.22Å; E110-R146 PolarHBondContact OE2-NH1 3.05Å; E110-R146 IonicContact OE2-NH2 3.03Å
111	F	98.9	Very high	98.9	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.168	C	C	.	.			trans	-96.3	128.1	160.8	-61.5	-63.2	0	0	0	108.1	E90 F93 A94 T113 F114 S117 A120 V124 F145 R146	E90-F111 HydrophobicContact CB-CD1 4.22Å; E90-F111 HydrophobicContact CB-CE1 4.04Å; E90-F111 HydrophobicContact CG-CD1 4.36Å; F93-F111 AromaticContact CE2-CD1 3.92Å; F93-F111 HydrophobicContact CE2-CD1 3.92Å; F93-F111 AromaticContact CE2-CE1 3.9Å; F93-F111 HydrophobicContact CE2-CE1 3.9Å; F93-F111 HydrophobicContact CZ-CD1 4.02Å; F93-F111 HydrophobicContact CZ-CE1 4.29Å; A94-F111 HydrophobicContact CB-CE1 4.19Å; A94-F111 HydrophobicContact CB-CZ 3.98Å; F111-T113 PolarHBondContact O-N 2.82Å; F111-T113 VanDerWaalsContact O-N 3.12Å; F111-F114 HydrophobicContact CD2-CE1 4.3Å; F111-S117 VanDerWaalsContact CD2-CB 3.44Å; F111-A120 HydrophobicContact CE1-CB 3.55Å; F111-A120 HydrophobicContact CZ-CB 3.57Å; F111-V124 HydrophobicContact CE2-CG2 4.45Å; F111-V124 HydrophobicContact CZ-CG2 4.49Å; F111-F145 HydrophobicContact CE2-CB 4.2Å; F111-F145 AromaticContact CE2-CD1 3.71Å; F111-F145 HydrophobicContact CE2-CD1 3.71Å; F111-F145 HydrophobicContact CE2-CG 4.31Å; F111-F145 AromaticContact CZ-CD1 4Å; F111-F145 HydrophobicContact CZ-CD1 4Å; F111-F145 HydrophobicContact CZ-CE1 4.42Å; F111-R146 PolarHBondContact N-O 3.47Å
112	M	98.6	Very high	98.9	Very high	40 Å²	40	33 Å²	33	20%	0.197	19%	0.185	C	C	.	.	S	Bend	trans	-54.6	-36.8	-178	-174	-172.8	-63.5	0	0	111.8	E59 E60 A67 Y68 F116 P148	E59-M112 HydrophobicContact CB-CE 3.93Å; E60-M112 HydrophobicContact CG-CE 4.13Å; A67-M112 HydrophobicContact CB-CE 4.26Å; A67-M112 HydrophobicContact CB-CG 3.85Å; A67-M112 HydrophobicContact CB-SD 4.27Å; Y68-M112 HydrophobicContact CE2-CG 4.24Å; Y68-M112 VanDerWaalsContact CE2-O 3.31Å; Y68-M112 WeakPolarHBondContact CE2-O 3.5Å; M112-F116 HydrophobicContact CB-CD2 4.01Å; M112-F116 HydrophobicContact CB-CE2 4.04Å; M112-F116 HydrophobicContact CG-CE2 4.36Å; M112-F116 HydrophobicContact SD-CE2 4.28Å; M112-P148 VanDerWaalsContact O-CD 3.22Å; M112-P148 WeakPolarHBondContact O-CD 3.35Å; M112-P148 WeakPolarHBondContact O-CG 3.43Å
113	T	98.8	Very high	98.9	Very high	9 Å²	9	32.3 Å²	32.3	6%	0.055	18%	0.181	C	C	.	.	S	Bend	trans	-140.8	155.5	157.2	74.1	0	0	0	0	110.2	F111 N115 F116 P148	F111-T113 PolarHBondContact O-N 2.82Å; F111-T113 VanDerWaalsContact O-N 3.12Å; T113-N115 WeakPolarHBondContact CB-ND2 3.38Å; T113-N115 PolarHBondContact O-N 2.84Å; T113-N115 VanDerWaalsContact O-N 3.16Å; T113-N115 WeakPolarHBondContact OG1-CB 3.32Å; T113-N115 PolarHBondContact OG1-N 3.2Å; T113-N115 PolarHBondContact OG1-ND2 2.94Å; T113-F116 HydrophobicContact CG2-CE2 4.26Å; T113-F116 HydrophobicContact CG2-CZ 4.48Å; T113-F116 WeakPolarHBondContact O-CB 3.33Å; T113-F116 PolarHBondContact O-N 3.46Å; T113-P148 HydrophobicContact CG2-CG 4.27Å
114	F	98.9	Very high	98.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.6	174.5	-92.9	-82.5	0	0	0	114	F111 F116 S117 G147 P148 N149 F163 Y167 V199 F200 L201	F111-F114 HydrophobicContact CD2-CE1 4.3Å; F114-F116 PolarHBondContact O-N 3.44Å; F114-S117 WeakPolarHBondContact CD1-OG 3.47Å; F114-S117 WeakPolarHBondContact O-CB 3.19Å; F114-S117 PolarHBondContact O-N 3.47Å; F114-S117 PolarHBondContact O-OG 3.33Å; F114-G147 WeakPolarHBondContact CD2-O 3.26Å; F114-G147 VanDerWaalsContact CE2-O 3.28Å; F114-G147 WeakPolarHBondContact CE2-O 3.15Å; F114-P148 PolarHBondContact N-O 3.44Å; F114-N149 HydrophobicContact CB-CB 4.04Å; F114-N149 HydrophobicContact CD2-CB 3.88Å; F114-N149 HydrophobicContact CG-CB 4.19Å; F114-F163 HydrophobicContact CB-CD2 3.8Å; F114-F163 HydrophobicContact CB-CE2 4.36Å; F114-F163 HydrophobicContact CB-CG 4.49Å; F114-F163 WeakPolarHBondContact O-CE2 3.09Å; F114-Y167 AromaticContact CD1-CE2 3.84Å; F114-Y167 HydrophobicContact CD1-CE2 3.84Å; F114-Y167 HydrophobicContact CE1-CE2 4.03Å; F114-V199 HydrophobicContact CE1-CG1 3.55Å; F114-V199 HydrophobicContact CZ-CG1 3.68Å; F114-F200 WeakPolarHBondContact CE2-O 3.37Å; F114-L201 HydrophobicContact CD1-CD2 3.77Å; F114-L201 HydrophobicContact CD2-CD2 3.79Å; F114-L201 HydrophobicContact CE1-CD2 3.75Å; F114-L201 HydrophobicContact CE2-CD2 3.74Å; F114-L201 HydrophobicContact CG-CD2 3.8Å; F114-L201 HydrophobicContact CZ-CD2 3.73Å
115	N	98.9	Very high	98.9	Very high	7 Å²	7	27.4 Å²	27.4	4%	0.037	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-38.2	169.1	-47.9	-88.5	0	0	0	111.4	T113 S117 M118 Q158 H159 S160 Q161 F163	T113-N115 WeakPolarHBondContact CB-ND2 3.38Å; T113-N115 PolarHBondContact O-N 2.84Å; T113-N115 VanDerWaalsContact O-N 3.16Å; T113-N115 WeakPolarHBondContact OG1-CB 3.32Å; T113-N115 PolarHBondContact OG1-N 3.2Å; T113-N115 PolarHBondContact OG1-ND2 2.94Å; N115-S117 VanDerWaalsContact C-N 3.35Å; N115-M118 WeakPolarHBondContact O-CB 3.38Å; N115-M118 VanDerWaalsContact O-CE 3.25Å; N115-M118 WeakPolarHBondContact O-CE 3.38Å; N115-M118 WeakPolarHBondContact O-CG 3.45Å; N115-M118 PolarHBondContact O-N 3.17Å; N115-Q158 VanDerWaalsContact CB-O 3.24Å; N115-Q158 WeakPolarHBondContact CB-O 3.48Å; N115-Q158 PolarHBondContact OD1-O 3.14Å; N115-H159 VanDerWaalsContact CG-C 3.46Å; N115-H159 VanDerWaalsContact CG-CA 3.48Å; N115-H159 WeakPolarHBondContact ND2-CA 3.31Å; N115-H159 PolarHBondContact ND2-O 2.95Å; N115-S160 PolarHBondContact OD1-N 3.04Å; N115-Q161 WeakPolarHBondContact OD1-CB 3.33Å; N115-Q161 PolarHBondContact OD1-N 3.09Å; N115-F163 HydrophobicContact CB-CE2 4.44Å
116	F	98.8	Very high	98.9	Very high	50 Å²	50	27.1 Å²	27.1	22%	0.219	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-75.7	-25.4	-178.9	-53.9	-20.5	0	0	0	112.2	E90 M112 T113 F114 M118 Q119 H159	E90-F116 HydrophobicContact CG-CB 4.29Å; E90-F116 WeakPolarHBondContact OE1-CB 3.33Å; M112-F116 HydrophobicContact CB-CD2 4.01Å; M112-F116 HydrophobicContact CB-CE2 4.04Å; M112-F116 HydrophobicContact CG-CE2 4.36Å; M112-F116 HydrophobicContact SD-CE2 4.28Å; T113-F116 HydrophobicContact CG2-CE2 4.26Å; T113-F116 HydrophobicContact CG2-CZ 4.48Å; T113-F116 WeakPolarHBondContact O-CB 3.33Å; T113-F116 PolarHBondContact O-N 3.46Å; F114-F116 PolarHBondContact O-N 3.44Å; F116-M118 PolarHBondContact O-N 2.76Å; F116-Q119 WeakPolarHBondContact O-CB 3.28Å; F116-Q119 PolarHBondContact O-N 3.34Å; F116-H159 AromaticContact CE1-CD2 3.62Å; F116-H159 AromaticContact CE1-NE2 3.65Å; F116-H159 AromaticContact CZ-CD2 3.6Å; F116-H159 AromaticContact CZ-NE2 3.64Å
117	S	98.9	Very high	98.9	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-58.7	-18.3	173.1	80.2	0	0	0	0	113.8	F111 F114 N115 Q119 A120 I121 Y167	F111-S117 VanDerWaalsContact CD2-CB 3.44Å; F114-S117 WeakPolarHBondContact CD1-OG 3.47Å; F114-S117 WeakPolarHBondContact O-CB 3.19Å; F114-S117 PolarHBondContact O-N 3.47Å; F114-S117 PolarHBondContact O-OG 3.33Å; N115-S117 VanDerWaalsContact C-N 3.35Å; S117-Q119 PolarHBondContact O-N 2.92Å; S117-A120 CarbonylContact O-C 3.54Å; S117-A120 WeakPolarHBondContact O-CA 3.48Å; S117-A120 PolarHBondContact O-N 3.32Å; S117-I121 PolarHBondContact O-N 2.83Å; S117-Y167 PolarHBondContact OG-OH 3.16Å
118	M	98.8	Very high	98.9	Very high	80 Å²	80	27.8 Å²	27.8	39%	0.394	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-58.3	-32.4	169.8	-69.1	-166.5	-72	0	0	112.8	N115 F116 A120 I121 F163 W166	N115-M118 WeakPolarHBondContact O-CB 3.38Å; N115-M118 VanDerWaalsContact O-CE 3.25Å; N115-M118 WeakPolarHBondContact O-CE 3.38Å; N115-M118 WeakPolarHBondContact O-CG 3.45Å; N115-M118 PolarHBondContact O-N 3.17Å; F116-M118 PolarHBondContact O-N 2.76Å; M118-A120 PolarHBondContact O-N 3.46Å; M118-I121 WeakPolarHBondContact O-CG2 3.45Å; M118-F163 HydrophobicContact CE-CZ 4.05Å; M118-F163 HydrophobicContact CG-CD1 4.48Å; M118-F163 HydrophobicContact CG-CE1 3.4Å; M118-F163 HydrophobicContact CG-CZ 3.66Å; M118-F163 HydrophobicContact SD-CE1 3.68Å; M118-F163 HydrophobicContact SD-CZ 3.76Å; M118-W166 HydrophobicContact SD-CZ3 4.48Å
119	Q	98.9	Very high	98.9	Very high	119 Å²	119	28 Å²	28	56%	0.556	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-65.8	-28.9	173.2	-62.7	-149.6	66.5	0	0	112.1	E90 M91 F116 S117	E90-Q119 HydrophobicContact CB-CB 4.14Å; E90-Q119 PolarHBondContact OE1-NE2 3.29Å; E90-Q119 PolarHBondContact OE2-NE2 2.86Å; M91-Q119 WeakPolarHBondContact CE-O 3.1Å; F116-Q119 WeakPolarHBondContact O-CB 3.28Å; F116-Q119 PolarHBondContact O-N 3.34Å; S117-Q119 PolarHBondContact O-N 2.92Å
120	A	98.9	Very high	98.9	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-0.8	-171.5	0	0	0	0	0	114.5	E90 A94 F111 S117 M118 D122 Q123 V124	E90-A120 HydrophobicContact CB-CB 4.09Å; A94-A120 HydrophobicContact CB-CB 3.77Å; F111-A120 HydrophobicContact CE1-CB 3.55Å; F111-A120 HydrophobicContact CZ-CB 3.57Å; S117-A120 CarbonylContact O-C 3.54Å; S117-A120 WeakPolarHBondContact O-CA 3.48Å; S117-A120 PolarHBondContact O-N 3.32Å; M118-A120 PolarHBondContact O-N 3.46Å; A120-D122 PolarHBondContact O-N 3.26Å; A120-D122 VanDerWaalsContact O-N 3.08Å; A120-Q123 WeakPolarHBondContact O-CB 3.33Å; A120-Q123 PolarHBondContact O-N 3.35Å; A120-V124 PolarHBondContact O-N 2.79Å
121	I	98.9	Very high	98.9	Very high	45 Å²	45	32.8 Å²	32.8	23%	0.231	17%	0.166	C	C	.	.	H	α-helix	trans	-60	-27.9	-167.7	-166.3	162.9	0	0	0	113.4	S117 M118 Q123 V124 I125 W166 Y167	S117-I121 PolarHBondContact O-N 2.83Å; M118-I121 WeakPolarHBondContact O-CG2 3.45Å; I121-Q123 VanDerWaalsContact C-N 3.34Å; I121-Q123 PolarHBondContact O-N 3.08Å; I121-V124 PolarHBondContact O-N 2.98Å; I121-I125 HydrophobicContact CG1-CG1 3.86Å; I121-I125 WeakPolarHBondContact O-CB 3.33Å; I121-I125 WeakPolarHBondContact O-CG1 3.29Å; I121-I125 PolarHBondContact O-N 2.83Å; I121-W166 HydrophobicContact CD1-CE3 3.82Å; I121-W166 HydrophobicContact CD1-CZ3 4.21Å; I121-Y167 HydrophobicContact CD1-CE1 4.02Å; I121-Y167 HydrophobicContact CG1-CE1 3.92Å
122	D	98.9	Very high	98.9	Very high	70 Å²	70	38 Å²	38	37%	0.374	19%	0.186	S	C	.	.	H	α-helix	trans	-59	-41.7	172.6	-171.6	65.5	0	0	0	112.5	M91 A120 I125 N126 S127	M91-D122 HydrophobicContact CE-CB 3.92Å; M91-D122 HydrophobicContact SD-CB 4.49Å; A120-D122 PolarHBondContact O-N 3.26Å; A120-D122 VanDerWaalsContact O-N 3.08Å; D122-I125 PolarHBondContact O-N 2.84Å; D122-N126 WeakPolarHBondContact O-CA 3.28Å; D122-N126 WeakPolarHBondContact O-CB 3.37Å; D122-N126 PolarHBondContact O-N 3.04Å; D122-N126 PolarHBondContact OD1-ND2 3.37Å; D122-S127 PolarHBondContact O-N 3.38Å
123	Q	98.9	Very high	98.9	Very high	39 Å²	39	45.9 Å²	45.9	18%	0.182	22%	0.215	C	C	.	.	I	π-helix	trans	-67.4	-38.7	176.1	-59.3	-65.6	-12	0	0	111.6	M91 A94 V98 A120 I121 S127 A128	M91-Q123 HydrophobicContact SD-CG 3.63Å; A94-Q123 HydrophobicContact CB-CB 4.09Å; A94-Q123 HydrophobicContact CB-CG 4.34Å; V98-Q123 HydrophobicContact CG2-CB 4.44Å; A120-Q123 WeakPolarHBondContact O-CB 3.33Å; A120-Q123 PolarHBondContact O-N 3.35Å; I121-Q123 VanDerWaalsContact C-N 3.34Å; I121-Q123 PolarHBondContact O-N 3.08Å; Q123-S127 WeakPolarHBondContact O-CB 3.32Å; Q123-S127 VanDerWaalsContact OE1-CB 3.24Å; Q123-S127 PolarHBondContact OE1-OG 3.19Å; Q123-A128 VanDerWaalsContact O-CB 3.31Å; Q123-A128 WeakPolarHBondContact O-CB 3.37Å; Q123-A128 PolarHBondContact O-N 3.17Å
124	V	98.9	Very high	98.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	24%	0.242	C	C	.	.	I	π-helix	trans	-66.2	-40.5	178.4	-171.9	0	0	0	0	111.2	F111 A120 I121 A128 A129 F145 Y167 L173 V199	F111-V124 HydrophobicContact CE2-CG2 4.45Å; F111-V124 HydrophobicContact CZ-CG2 4.49Å; A120-V124 PolarHBondContact O-N 2.79Å; I121-V124 PolarHBondContact O-N 2.98Å; V124-A128 WeakPolarHBondContact O-CB 3.36Å; V124-A129 WeakPolarHBondContact O-CB 3.41Å; V124-A129 PolarHBondContact O-N 3.03Å; V124-A129 VanDerWaalsContact O-N 3.11Å; V124-F145 HydrophobicContact CB-CE2 4.2Å; V124-F145 HydrophobicContact CB-CZ 4.33Å; V124-F145 HydrophobicContact CG1-CD2 3.86Å; V124-F145 HydrophobicContact CG1-CE2 3.82Å; V124-F145 HydrophobicContact CG1-CG 4.49Å; V124-F145 HydrophobicContact CG1-CZ 4.43Å; V124-F145 HydrophobicContact CG2-CD1 4.09Å; V124-F145 HydrophobicContact CG2-CD2 4.26Å; V124-F145 HydrophobicContact CG2-CE1 3.9Å; V124-F145 HydrophobicContact CG2-CE2 4.06Å; V124-F145 HydrophobicContact CG2-CG 4.25Å; V124-F145 HydrophobicContact CG2-CZ 3.87Å; V124-Y167 HydrophobicContact CB-CE1 4.09Å; V124-Y167 HydrophobicContact CG1-CD1 4.1Å; V124-Y167 HydrophobicContact CG1-CE1 3.63Å; V124-Y167 HydrophobicContact CG2-CE1 4.48Å; V124-L173 HydrophobicContact CG1-CD1 4.36Å; V124-L173 HydrophobicContact CG1-CD2 4.16Å; V124-V199 HydrophobicContact CG1-CG2 3.98Å
125	I	98.9	Very high	98.9	Very high	20 Å²	20	53.1 Å²	53.1	10%	0.103	25%	0.253	C	S	.	.	I	π-helix	trans	-96	-49.2	-171.8	-58	-48.1	0	0	0	113.5	I121 D122 A129 K130 Y167 C170 L173	I121-I125 HydrophobicContact CG1-CG1 3.86Å; I121-I125 WeakPolarHBondContact O-CB 3.33Å; I121-I125 WeakPolarHBondContact O-CG1 3.29Å; I121-I125 PolarHBondContact O-N 2.83Å; D122-I125 PolarHBondContact O-N 2.84Å; I125-A129 WeakPolarHBondContact O-CB 3.38Å; I125-K130 WeakPolarHBondContact O-CG 3.46Å; I125-K130 PolarHBondContact O-N 3.22Å; I125-Y167 HydrophobicContact CD1-CD1 4.02Å; I125-Y167 HydrophobicContact CD1-CE1 4.19Å; I125-C170 HydrophobicContact CD1-CB 3.75Å; I125-C170 WeakPolarHBondContact CD1-SG 3.46Å; I125-L173 HydrophobicContact CD1-CD1 3.6Å; I125-L173 HydrophobicContact CD1-CG 4.28Å
126	N	98.9	Very high	98.9	Very high	67 Å²	67	57.5 Å²	57.5	36%	0.358	29%	0.291	S	S	.	.	I	π-helix	trans	-88.5	-47.7	-173.6	-70.4	-32.5	0	0	0	111.7	D122 K130	D122-N126 WeakPolarHBondContact O-CA 3.28Å; D122-N126 WeakPolarHBondContact O-CB 3.37Å; D122-N126 PolarHBondContact O-N 3.04Å; D122-N126 PolarHBondContact OD1-ND2 3.37Å; N126-K130 PolarHBondContact OD1-NZ 3.45Å
127	S	98.9	Very high	98.8	Very high	33 Å²	33	56.5 Å²	56.5	23%	0.231	30%	0.295	C	S	.	.	I	π-helix	trans	-75	-44.5	178.8	-52	0	0	0	0	112.8	M102 D122 Q123 T131	M102-S127 WeakPolarHBondContact CE-O 3.12Å; D122-S127 PolarHBondContact O-N 3.38Å; Q123-S127 WeakPolarHBondContact O-CB 3.32Å; Q123-S127 VanDerWaalsContact OE1-CB 3.24Å; Q123-S127 PolarHBondContact OE1-OG 3.19Å; S127-T131 WeakPolarHBondContact O-CB 3.25Å; S127-T131 PolarHBondContact O-OG1 3.3Å
128	A	98.9	Very high	98.8	Very high	1 Å²	1	63.6 Å²	63.6	1%	0.008	33%	0.332	C	S	.	.	I	π-helix	trans	-88.3	-72.8	-176.7	0	0	0	0	0	112.6	V98 Q123 V124 K130 T131 V141 I143 F145 P197	V98-A128 HydrophobicContact CG1-CB 4.23Å; V98-A128 HydrophobicContact CG2-CB 3.84Å; Q123-A128 VanDerWaalsContact O-CB 3.31Å; Q123-A128 WeakPolarHBondContact O-CB 3.37Å; Q123-A128 PolarHBondContact O-N 3.17Å; V124-A128 WeakPolarHBondContact O-CB 3.36Å; A128-K130 VanDerWaalsContact C-N 3.34Å; A128-K130 PolarHBondContact O-N 3.05Å; A128-T131 PolarHBondContact O-N 3.36Å; A128-V141 HydrophobicContact CB-CG1 4.03Å; A128-I143 HydrophobicContact CB-CG2 4.41Å; A128-F145 HydrophobicContact CB-CE2 4.28Å; A128-F145 HydrophobicContact CB-CZ 4.46Å; A128-P197 HydrophobicContact CB-CB 4.06Å; A128-P197 HydrophobicContact CB-CG 3.64Å
129	A	98.9	Very high	98.8	Very high	4 Å²	4	62.9 Å²	62.9	3%	0.033	33%	0.327	C	S	.	.	I	π-helix	trans	-54.2	-45	-166.7	0	0	0	0	0	114.1	V124 I125 G172 L173	V124-A129 WeakPolarHBondContact O-CB 3.41Å; V124-A129 PolarHBondContact O-N 3.03Å; V124-A129 VanDerWaalsContact O-N 3.11Å; I125-A129 WeakPolarHBondContact O-CB 3.38Å; A129-G172 WeakPolarHBondContact O-CA 3.29Å; A129-L173 HydrophobicContact CB-CD2 3.55Å; A129-L173 HydrophobicContact CB-CG 3.77Å
130	K	98.9	Very high	98.8	Very high	82 Å²	82	59.6 Å²	59.6	36%	0.357	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-19.5	-173.3	-67.8	171.1	-169.2	172.5	0	114	I125 N126 A128 Y132 Y133 M134	I125-K130 WeakPolarHBondContact O-CG 3.46Å; I125-K130 PolarHBondContact O-N 3.22Å; N126-K130 PolarHBondContact OD1-NZ 3.45Å; A128-K130 VanDerWaalsContact C-N 3.34Å; A128-K130 PolarHBondContact O-N 3.05Å; K130-Y132 PolarHBondContact O-N 3.39Å; K130-Y133 PolarHBondContact O-N 3.49Å; K130-Y133 VanDerWaalsContact O-N 3.17Å; K130-M134 HydrophobicContact CB-CE 3.74Å; K130-M134 HydrophobicContact CB-CG 4.3Å; K130-M134 HydrophobicContact CB-SD 4.08Å; K130-M134 WeakPolarHBondContact O-CG 3.27Å; K130-M134 PolarHBondContact O-N 3.34Å
131	T	98.9	Very high	98.8	Very high	23 Å²	23	59.7 Å²	59.7	14%	0.141	32%	0.317	C	S	.	.	H	α-helix	trans	-67.5	-37.2	-165.8	-70.5	0	0	0	0	113.9	M102 S127 A128 Y133 M134 S135 Q139 V141	M102-T131 HydrophobicContact CE-CG2 3.74Å; S127-T131 WeakPolarHBondContact O-CB 3.25Å; S127-T131 PolarHBondContact O-OG1 3.3Å; A128-T131 PolarHBondContact O-N 3.36Å; T131-Y133 VanDerWaalsContact C-N 3.27Å; T131-Y133 PolarHBondContact O-N 3.04Å; T131-M134 PolarHBondContact O-N 3.45Å; T131-S135 VanDerWaalsContact O-CB 3.24Å; T131-S135 WeakPolarHBondContact O-CB 3.39Å; T131-S135 PolarHBondContact O-N 2.92Å; T131-S135 PolarHBondContact O-OG 2.84Å; T131-Q139 HydrophobicContact CG2-CB 3.9Å; T131-Q139 HydrophobicContact CG2-CG 3.67Å; T131-V141 HydrophobicContact CG2-CG2 4.42Å
132	Y	98.9	Very high	98.8	Very high	109 Å²	109	58.1 Å²	58.1	43%	0.427	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-36.4	176.2	-170.3	-110.2	0	0	0	112.1	K130 S135 G137 Q139 P140	K130-Y132 PolarHBondContact O-N 3.39Å; Y132-S135 PolarHBondContact O-OG 3.03Å; Y132-G137 WeakPolarHBondContact CE2-O 3.31Å; Y132-G137 WeakPolarHBondContact O-CA 3Å; Y132-G137 PolarHBondContact O-N 3.49Å; Y132-Q139 WeakPolarHBondContact CA-O 3.34Å; Y132-P140 HydrophobicContact CD2-CB 4.17Å; Y132-P140 HydrophobicContact CE2-CB 4.37Å
133	Y	98.8	Very high	98.8	Very high	206 Å²	206	54.9 Å²	54.9	81%	0.808	29%	0.293	S	S	*	.	H	α-helix	trans	-72.9	-48.3	174.7	-175.5	-91.6	0	0	0	112.1	K130 T131 S135 A136	K130-Y133 PolarHBondContact O-N 3.49Å; K130-Y133 VanDerWaalsContact O-N 3.17Å; T131-Y133 VanDerWaalsContact C-N 3.27Å; T131-Y133 PolarHBondContact O-N 3.04Å; Y133-S135 VanDerWaalsContact C-N 3.26Å; Y133-S135 PolarHBondContact O-N 3.07Å; Y133-A136 PolarHBondContact O-N 3.23Å
134	M	98.8	Very high	98.8	Very high	125 Å²	125	53.2 Å²	53.2	62%	0.616	29%	0.285	S	S	*	.	H	α-helix	trans	-64.8	-29	-179.1	-66.2	-172.9	-55.5	0	0	113.1	K130 T131 A136	K130-M134 HydrophobicContact CB-CE 3.74Å; K130-M134 HydrophobicContact CB-CG 4.3Å; K130-M134 HydrophobicContact CB-SD 4.08Å; K130-M134 WeakPolarHBondContact O-CG 3.27Å; K130-M134 PolarHBondContact O-N 3.34Å; T131-M134 PolarHBondContact O-N 3.45Å; M134-A136 VanDerWaalsContact C-N 3.29Å
135	S	98.6	Very high	98.8	Very high	35 Å²	35	53.2 Å²	53.2	25%	0.245	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	9.5	174.7	65.8	0	0	0	0	114	T131 Y132 Y133 G137 L138 Q139	T131-S135 VanDerWaalsContact O-CB 3.24Å; T131-S135 WeakPolarHBondContact O-CB 3.39Å; T131-S135 PolarHBondContact O-N 2.92Å; T131-S135 PolarHBondContact O-OG 2.84Å; Y132-S135 PolarHBondContact O-OG 3.03Å; Y133-S135 VanDerWaalsContact C-N 3.26Å; Y133-S135 PolarHBondContact O-N 3.07Å; S135-G137 PolarHBondContact O-N 3.31Å; S135-L138 VanDerWaalsContact O-CB 3.27Å; S135-L138 WeakPolarHBondContact O-CB 3.41Å; S135-L138 PolarHBondContact O-N 2.97Å; S135-L138 VanDerWaalsContact O-N 3.1Å; S135-Q139 PolarHBondContact OG-N 2.86Å
136	A	98.4	Very high	98.8	Very high	99 Å²	99	52.3 Å²	52.3	82%	0.818	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	37.1	-177.9	0	0	0	0	0	114.1	Y133 M134	Y133-A136 PolarHBondContact O-N 3.23Å; M134-A136 VanDerWaalsContact C-N 3.29Å
137	G	98.1	Very high	98.8	Very high	30 Å²	30	49.1 Å²	49.1	31%	0.309	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.1	5.4	180	0	0	0	0	0	115.4	Y132 S135	Y132-G137 WeakPolarHBondContact CE2-O 3.31Å; Y132-G137 WeakPolarHBondContact O-CA 3Å; Y132-G137 PolarHBondContact O-N 3.49Å; S135-G137 PolarHBondContact O-N 3.31Å
138	L	98.6	Very high	98.8	Very high	149 Å²	149	47.9 Å²	47.9	78%	0.78	25%	0.254	S	S	*	.	S	Bend	trans	-80.8	-38.3	-178.1	-178	61.6	0	0	0	113.7	S135 P140	S135-L138 VanDerWaalsContact O-CB 3.27Å; S135-L138 WeakPolarHBondContact O-CB 3.41Å; S135-L138 PolarHBondContact O-N 2.97Å; S135-L138 VanDerWaalsContact O-N 3.1Å; L138-P140 WeakPolarHBondContact O-CD 3.34Å
139	Q	98.8	Very high	98.8	Very high	64 Å²	64	48 Å²	48	30%	0.299	26%	0.255	S	S	.	.			trans	-114.7	94.4	-172.9	-176.7	62.5	75.5	0	0	111.4	M102 T131 Y132 S135	M102-Q139 VanDerWaalsContact CA-NE2 3.34Å; M102-Q139 HydrophobicContact CB-CG 4.48Å; M102-Q139 HydrophobicContact CG-CG 4.03Å; M102-Q139 PolarHBondContact O-NE2 2.7Å; M102-Q139 HydrophobicContact SD-CG 4.35Å; T131-Q139 HydrophobicContact CG2-CB 3.9Å; T131-Q139 HydrophobicContact CG2-CG 3.67Å; Y132-Q139 WeakPolarHBondContact CA-O 3.34Å; S135-Q139 PolarHBondContact OG-N 2.86Å
140	P	98.6	Very high	98.8	Very high	51 Å²	51	48.4 Å²	48.4	33%	0.331	26%	0.259	S	S	.	.			trans	-70.7	164.2	169	31.8	-35.5	0	0	0	111	Y132 L138	Y132-P140 HydrophobicContact CD2-CB 4.17Å; Y132-P140 HydrophobicContact CE2-CB 4.37Å; L138-P140 WeakPolarHBondContact O-CD 3.34Å
141	V	98.9	Very high	98.7	Very high	2 Å²	2	45 Å²	45	1%	0.012	25%	0.246	C	C	.	.			trans	-139	78.7	178.6	-167.6	0	0	0	0	109	V98 A101 M102 A128 T131 I143 D195 N196 P197	V98-V141 HydrophobicContact CG1-CG1 4.13Å; A101-V141 HydrophobicContact CB-CG1 3.86Å; M102-V141 HydrophobicContact CE-CG2 3.77Å; M102-V141 HydrophobicContact CG-CG2 4.03Å; A128-V141 HydrophobicContact CB-CG1 4.03Å; T131-V141 HydrophobicContact CG2-CG2 4.42Å; V141-I143 HydrophobicContact CG1-CG2 3.83Å; V141-I143 PolarHBondContact O-N 3.5Å; V141-D195 CarbonylContact C-O 3.6Å; V141-D195 PolarHBondContact N-O 2.65Å; V141-N196 CarbonylContact O-C 3.3Å; V141-P197 HydrophobicContact CB-CG 3.98Å; V141-P197 HydrophobicContact CG1-CG 4.26Å; V141-P197 WeakPolarHBondContact O-CD 3.15Å
142	P	98.9	Very high	98.6	Very high	11 Å²	11	44.9 Å²	44.9	7%	0.071	25%	0.247	C	C	.	.			trans	-71.3	88	177.6	29.4	-36.7	0	0	0	111.3	A101 L105 R106	A101-P142 HydrophobicContact CB-CG 4.33Å; A101-P142 WeakPolarHBondContact CB-O 3.49Å; L105-P142 WeakPolarHBondContact O-CG 3.36Å; R106-P142 HydrophobicContact CG-CB 4.48Å
143	I	98.9	Very high	98.5	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.015	25%	0.251	C	S	.	.			trans	-138.5	139.2	-177.8	-173.2	164.3	0	0	0	111.9	A97 V98 A101 P107 C109 A128 V141 F145 P197 V198	A97-I143 HydrophobicContact CB-CD1 3.55Å; V98-I143 HydrophobicContact CG2-CD1 3.86Å; A101-I143 HydrophobicContact CB-CB 4.08Å; P107-I143 HydrophobicContact CG-CB 4.46Å; P107-I143 HydrophobicContact CG-CD1 4.14Å; P107-I143 HydrophobicContact CG-CG1 4.11Å; C109-I143 HydrophobicContact CB-CD1 4.48Å; A128-I143 HydrophobicContact CB-CG2 4.41Å; V141-I143 HydrophobicContact CG1-CG2 3.83Å; V141-I143 PolarHBondContact O-N 3.5Å; I143-F145 HydrophobicContact CD1-CD1 4.45Å; I143-F145 HydrophobicContact CD1-CE1 3.72Å; I143-F145 HydrophobicContact CD1-CE2 4.04Å; I143-F145 HydrophobicContact CD1-CZ 3.5Å; I143-F145 VanDerWaalsContact CD1-CZ 3.5Å; I143-F145 HydrophobicContact CG1-CD2 4.49Å; I143-F145 HydrophobicContact CG1-CE1 4.37Å; I143-F145 HydrophobicContact CG1-CE2 4.15Å; I143-F145 HydrophobicContact CG1-CZ 4.09Å; I143-F145 HydrophobicContact CG2-CD2 4.38Å; I143-F145 HydrophobicContact CG2-CE2 3.71Å; I143-F145 HydrophobicContact CG2-CZ 4.19Å; I143-P197 HydrophobicContact CG2-CB 3.74Å; I143-P197 HydrophobicContact CG2-CG 3.98Å; I143-P197 WeakPolarHBondContact O-CA 3.38Å; I143-V198 PolarHBondContact O-N 2.71Å
144	V	99	Very high	98.4	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.7	168.2	-178.4	0	0	0	0	109.2	P107 C109 R146 L188 A191 I192 V198 F200	P107-V144 PolarHBondContact O-N 3.49Å; C109-V144 PolarHBondContact N-O 2.7Å; V144-R146 HydrophobicContact CG1-CB 4.28Å; V144-L188 HydrophobicContact CG1-CD1 4.06Å; V144-A191 HydrophobicContact CG1-CB 4.36Å; V144-A191 VanDerWaalsContact CG2-C 3.47Å; V144-A191 HydrophobicContact CG2-CB 3.85Å; V144-A191 WeakPolarHBondContact CG2-O 3.16Å; V144-I192 HydrophobicContact CG2-CB 4.49Å; V144-I192 HydrophobicContact CG2-CG1 3.98Å; V144-V198 WeakPolarHBondContact CA-O 3.4Å; V144-F200 HydrophobicContact CG1-CB 4.11Å
145	F	99	Very high	98.3	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.8	166	-61.4	-80.3	0	0	0	108.3	A94 V98 C109 F111 V124 A128 I143 P197 V198 F200	A94-F145 HydrophobicContact CB-CE1 4.25Å; V98-F145 HydrophobicContact CG2-CZ 3.77Å; C109-F145 HydrophobicContact CB-CD1 3.75Å; C109-F145 HydrophobicContact CB-CE1 4.13Å; C109-F145 WeakPolarHBondContact O-CA 3.45Å; F111-F145 HydrophobicContact CE2-CB 4.2Å; F111-F145 AromaticContact CE2-CD1 3.71Å; F111-F145 HydrophobicContact CE2-CD1 3.71Å; F111-F145 HydrophobicContact CE2-CG 4.31Å; F111-F145 AromaticContact CZ-CD1 4Å; F111-F145 HydrophobicContact CZ-CD1 4Å; F111-F145 HydrophobicContact CZ-CE1 4.42Å; V124-F145 HydrophobicContact CB-CE2 4.2Å; V124-F145 HydrophobicContact CB-CZ 4.33Å; V124-F145 HydrophobicContact CG1-CD2 3.86Å; V124-F145 HydrophobicContact CG1-CE2 3.82Å; V124-F145 HydrophobicContact CG1-CG 4.49Å; V124-F145 HydrophobicContact CG1-CZ 4.43Å; V124-F145 HydrophobicContact CG2-CD1 4.09Å; V124-F145 HydrophobicContact CG2-CD2 4.26Å; V124-F145 HydrophobicContact CG2-CE1 3.9Å; V124-F145 HydrophobicContact CG2-CE2 4.06Å; V124-F145 HydrophobicContact CG2-CG 4.25Å; V124-F145 HydrophobicContact CG2-CZ 3.87Å; A128-F145 HydrophobicContact CB-CE2 4.28Å; A128-F145 HydrophobicContact CB-CZ 4.46Å; I143-F145 HydrophobicContact CD1-CD1 4.45Å; I143-F145 HydrophobicContact CD1-CE1 3.72Å; I143-F145 HydrophobicContact CD1-CE2 4.04Å; I143-F145 HydrophobicContact CD1-CZ 3.5Å; I143-F145 VanDerWaalsContact CD1-CZ 3.5Å; I143-F145 HydrophobicContact CG1-CD2 4.49Å; I143-F145 HydrophobicContact CG1-CE1 4.37Å; I143-F145 HydrophobicContact CG1-CE2 4.15Å; I143-F145 HydrophobicContact CG1-CZ 4.09Å; I143-F145 HydrophobicContact CG2-CD2 4.38Å; I143-F145 HydrophobicContact CG2-CE2 3.71Å; I143-F145 HydrophobicContact CG2-CZ 4.19Å; F145-P197 HydrophobicContact CE2-CB 4.49Å; F145-V198 PolarHBondContact N-O 3.23Å; F145-F200 PolarHBondContact O-N 2.77Å
146	R	98.9	Very high	98.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	166	-176.7	64.6	158.7	-74.5	-75.5	-21.8	113.6	I108 C109 E110 F111 V144 F200 E202	I108-R146 HydrophobicContact CG2-CG 3.72Å; C109-R146 PolarHBondContact O-N 2.66Å; E110-R146 WeakPolarHBondContact CA-O 3.26Å; E110-R146 IonicContact OE1-CZ 3.51Å; E110-R146 IonicContact OE1-NH1 2.77Å; E110-R146 PolarHBondContact OE1-NH1 3.29Å; E110-R146 IonicContact OE1-NH2 3.25Å; E110-R146 PolarHBondContact OE1-NH2 2.88Å; E110-R146 IonicContact OE2-CZ 3.54Å; E110-R146 IonicContact OE2-NH1 3.22Å; E110-R146 PolarHBondContact OE2-NH1 3.05Å; E110-R146 IonicContact OE2-NH2 3.03Å; F111-R146 PolarHBondContact N-O 3.47Å; V144-R146 HydrophobicContact CG1-CB 4.28Å; R146-F200 HydrophobicContact CB-CB 3.86Å; R146-F200 HydrophobicContact CB-CD1 4.14Å; R146-F200 HydrophobicContact CB-CG 4.36Å; R146-E202 IonicContact CZ-OE1 3.93Å; R146-E202 IonicContact CZ-OE2 2.74Å; R146-E202 IonicContact NE-OE1 3.72Å; R146-E202 PolarHBondContact NE-OE1 3.49Å; R146-E202 IonicContact NE-OE2 3.39Å; R146-E202 IonicContact NH2-OE1 2.69Å; R146-E202 PolarHBondContact NH2-OE1 2.69Å; R146-E202 IonicContact NH2-OE2 2.66Å; R146-E202 PolarHBondContact NH2-OE2 2.92Å
147	G	98.9	Very high	98.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	146.6	173.9	-178.7	0	0	0	0	0	112.2	F114 E202	F114-G147 WeakPolarHBondContact CD2-O 3.26Å; F114-G147 VanDerWaalsContact CE2-O 3.28Å; F114-G147 WeakPolarHBondContact CE2-O 3.15Å; G147-E202 VanDerWaalsContact O-CB 3.31Å; G147-E202 WeakPolarHBondContact O-CB 3.36Å; G147-E202 PolarHBondContact O-N 3.39Å; G147-E202 VanDerWaalsContact O-N 3.1Å
148	P	98.9	Very high	98.3	Very high	7 Å²	7	33.6 Å²	33.6	5%	0.045	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	140	179.1	28.9	-31.3	0	0	0	112.1	Y68 M112 T113 F114 E204 Y207	Y68-P148 HydrophobicContact CD2-CG 3.99Å; Y68-P148 HydrophobicContact CE2-CG 3.78Å; M112-P148 VanDerWaalsContact O-CD 3.22Å; M112-P148 WeakPolarHBondContact O-CD 3.35Å; M112-P148 WeakPolarHBondContact O-CG 3.43Å; T113-P148 HydrophobicContact CG2-CG 4.27Å; F114-P148 PolarHBondContact N-O 3.44Å; P148-E204 HydrophobicContact CB-CB 3.89Å; P148-Y207 HydrophobicContact CB-CE2 4.1Å; P148-Y207 VanDerWaalsContact CD-OH 3.32Å; P148-Y207 WeakPolarHBondContact CD-OH 3.03Å; P148-Y207 HydrophobicContact CG-CE2 4.4Å
149	N	98.9	Very high	98.3	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.027	19%	0.188	C	C	.	.			trans	-132.2	148.8	-175.9	161.9	84.8	0	0	0	111.5	F114 C162 F163 L201 E202 N203	F114-N149 HydrophobicContact CB-CB 4.04Å; F114-N149 HydrophobicContact CD2-CB 3.88Å; F114-N149 HydrophobicContact CG-CB 4.19Å; N149-C162 PolarHBondContact ND2-SG 2.8Å; N149-C162 VanDerWaalsContact ND2-SG 3.37Å; N149-C162 WeakPolarHBondContact OD1-CA 3.48Å; N149-F163 PolarHBondContact OD1-N 2.96Å; N149-L201 HydrophobicContact CB-CB 3.96Å; N149-L201 HydrophobicContact CB-CD2 3.96Å; N149-E202 WeakPolarHBondContact CB-O 3.49Å; N149-E202 PolarHBondContact N-O 2.93Å; N149-N203 PolarHBondContact O-ND2 3.21Å
150	G	98.4	Very high	98.3	Very high	12 Å²	12	27.7 Å²	27.7	12%	0.124	18%	0.178	C	C	.	.	S	Bend	trans	76.4	-163.7	-176.8	0	0	0	0	0	112.7	S160 Q161	G150-S160 CarbonylContact C-O 3.46Å; G150-S160 VanDerWaalsContact C-O 3.3Å; G150-Q161 WeakPolarHBondContact CA-O 3.4Å; G150-Q161 PolarHBondContact N-O 3.06Å
151	A	97.4	Very high	98.3	Very high	10 Å²	10	26.5 Å²	26.5	8%	0.083	17%	0.167	C	C	.	.			trans	-73.5	143.7	-175.1	0	0	0	0	0	114	S160 N203 M333 L344	A151-S160 PolarHBondContact N-O 3.04Å; A151-N203 PolarHBondContact O-ND2 3.18Å; A151-M333 HydrophobicContact CB-CE 3.94Å; A151-L344 HydrophobicContact CB-CD1 3.7Å; A151-L344 HydrophobicContact CB-CD2 3.87Å; A151-L344 HydrophobicContact CB-CG 4.36Å
152	S	97.3	Very high	98.3	Very high	21 Å²	21	27.4 Å²	27.4	15%	0.147	17%	0.174	C	C	.	.			trans	-105.1	-140.1	162.3	176.8	0	0	0	0	108.5	E204	S152-E204 WeakPolarHBondContact CB-OE2 3.38Å; S152-E204 PolarHBondContact OG-OE2 3.08Å
153	A	96.4	Very high	98.3	Very high	63 Å²	63	26.9 Å²	26.9	52%	0.521	17%	0.17	S	C	.	.	S	Bend	trans	-130.9	123.3	177.4	0	0	0	0	0	111.2	V155 L205	A153-V155 VanDerWaalsContact C-N 3.27Å; A153-V155 PolarHBondContact O-N 2.69Å; A153-L205 HydrophobicContact CB-CD2 4.37Å
154	G	95.7	Very high	98.3	Very high	30 Å²	30	26.8 Å²	26.8	31%	0.309	17%	0.17	S	C	.	.	S	Bend	trans	71.7	10.5	179.7	0	0	0	0	0	115.6	Y335 E340	G154-Y335 WeakPolarHBondContact O-CD2 3.39Å; G154-Y335 VanDerWaalsContact O-CE2 3.27Å; G154-Y335 WeakPolarHBondContact O-CE2 3.4Å; G154-E340 VanDerWaalsContact N-CD 3.27Å; G154-E340 PolarHBondContact N-OE1 2.83Å; G154-E340 PolarHBondContact N-OE2 3.43Å
155	V	98.1	Very high	98.3	Very high	45 Å²	45	27.8 Å²	27.8	27%	0.273	18%	0.179	S	C	.	.			trans	-89.8	-10	-174.6	-55.2	0	0	0	0	114.2	A153 H159 S160	A153-V155 VanDerWaalsContact C-N 3.27Å; A153-V155 PolarHBondContact O-N 2.69Å; V155-H159 HydrophobicContact CB-CB 3.7Å; V155-H159 HydrophobicContact CG2-CB 3.63Å; V155-H159 PolarHBondContact O-ND1 2.83Å; V155-S160 VanDerWaalsContact CG2-OG 3.29Å; V155-S160 WeakPolarHBondContact CG2-OG 3.46Å
156	A	98.4	Very high	98.3	Very high	27 Å²	27	33.8 Å²	33.8	22%	0.223	20%	0.201	C	C	.	.			trans	58.2	-171.6	174.7	0	0	0	0	0	115.6	Q158 H159 S160 M333	A156-Q158 PolarHBondContact O-N 3.36Å; A156-H159 PolarHBondContact O-N 3.1Å; A156-H159 VanDerWaalsContact O-N 3.15Å; A156-S160 PolarHBondContact O-N 3.23Å; A156-S160 PolarHBondContact O-OG 2.89Å; A156-S160 VanDerWaalsContact O-OG 3.12Å; A156-M333 CarbonylContact C-O 3.41Å; A156-M333 WeakPolarHBondContact CA-O 3.38Å
157	A	98.3	Very high	98.3	Very high	40 Å²	40	33.9 Å²	33.9	33%	0.331	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-52.9	-44.7	-160.2	0	0	0	0	0	115.9	H159 P332 M333	A157-H159 VanDerWaalsContact C-N 3.28Å; A157-H159 PolarHBondContact O-N 3.29Å; A157-P332 HydrophobicContact CB-CB 3.7Å; A157-M333 WeakPolarHBondContact CA-O 3.39Å; A157-M333 PolarHBondContact N-O 2.62Å
158	Q	98.5	Very high	98.3	Very high	162 Å²	162	34.6 Å²	34.6	76%	0.757	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-80.6	-3.5	-173.6	-67.6	179.2	-58.2	0	0	114.3	N115 A156	N115-Q158 VanDerWaalsContact CB-O 3.24Å; N115-Q158 WeakPolarHBondContact CB-O 3.48Å; N115-Q158 PolarHBondContact OD1-O 3.14Å; A156-Q158 PolarHBondContact O-N 3.36Å
159	H	98.7	Very high	98.3	Very high	78 Å²	78	41.6 Å²	41.6	36%	0.361	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-123	3.3	-177.6	-61.6	101.7	0	0	0	114	N115 F116 V155 A156 A157	N115-H159 VanDerWaalsContact CG-C 3.46Å; N115-H159 VanDerWaalsContact CG-CA 3.48Å; N115-H159 WeakPolarHBondContact ND2-CA 3.31Å; N115-H159 PolarHBondContact ND2-O 2.95Å; F116-H159 AromaticContact CE1-CD2 3.62Å; F116-H159 AromaticContact CE1-NE2 3.65Å; F116-H159 AromaticContact CZ-CD2 3.6Å; F116-H159 AromaticContact CZ-NE2 3.64Å; V155-H159 HydrophobicContact CB-CB 3.7Å; V155-H159 HydrophobicContact CG2-CB 3.63Å; V155-H159 PolarHBondContact O-ND1 2.83Å; A156-H159 PolarHBondContact O-N 3.1Å; A156-H159 VanDerWaalsContact O-N 3.15Å; A157-H159 VanDerWaalsContact C-N 3.28Å; A157-H159 PolarHBondContact O-N 3.29Å
160	S	98.7	Very high	98.3	Very high	11 Å²	11	42.5 Å²	42.5	8%	0.077	25%	0.246	C	C	.	.			trans	-115.2	5.6	-170.9	-68.4	0	0	0	0	115.4	N115 G150 A151 V155 A156	N115-S160 PolarHBondContact OD1-N 3.04Å; G150-S160 CarbonylContact C-O 3.46Å; G150-S160 VanDerWaalsContact C-O 3.3Å; A151-S160 PolarHBondContact N-O 3.04Å; V155-S160 VanDerWaalsContact CG2-OG 3.29Å; V155-S160 WeakPolarHBondContact CG2-OG 3.46Å; A156-S160 PolarHBondContact O-N 3.23Å; A156-S160 PolarHBondContact O-OG 2.89Å; A156-S160 VanDerWaalsContact O-OG 3.12Å
161	Q	98.9	Very high	98.3	Very high	25 Å²	25	46.2 Å²	46.2	12%	0.117	27%	0.268	C	S	.	.			trans	-75.7	138.6	-173.1	-177.8	173	-24.4	0	0	112	N115 G150 F163 W297	N115-Q161 WeakPolarHBondContact OD1-CB 3.33Å; N115-Q161 PolarHBondContact OD1-N 3.09Å; G150-Q161 WeakPolarHBondContact CA-O 3.4Å; G150-Q161 PolarHBondContact N-O 3.06Å; Q161-F163 HydrophobicContact CB-CD2 4.45Å; Q161-F163 HydrophobicContact CB-CE2 3.59Å; Q161-F163 HydrophobicContact CB-CZ 3.79Å; Q161-F163 HydrophobicContact CG-CD2 4.22Å; Q161-F163 HydrophobicContact CG-CE1 4.08Å; Q161-F163 HydrophobicContact CG-CE2 3.6Å; Q161-F163 HydrophobicContact CG-CZ 3.52Å; Q161-F163 WeakPolarHBondContact O-CD2 3.5Å; Q161-F163 WeakPolarHBondContact O-CE2 3.44Å; Q161-W297 HydrophobicContact CB-CH2 4.3Å; Q161-W297 VanDerWaalsContact CD-CZ3 3.45Å; Q161-W297 HydrophobicContact CG-CE3 4.48Å; Q161-W297 HydrophobicContact CG-CH2 3.73Å; Q161-W297 HydrophobicContact CG-CZ3 3.71Å
162	C	98.9	Very high	98.4	Very high	21 Å²	21	47.6 Å²	47.6	14%	0.142	28%	0.283	C	S	.	.			trans	-97.3	125.6	172.7	-173.5	0	0	0	0	110.2	N149	N149-C162 PolarHBondContact ND2-SG 2.8Å; N149-C162 VanDerWaalsContact ND2-SG 3.37Å; N149-C162 WeakPolarHBondContact OD1-CA 3.48Å
163	F	98.9	Very high	98.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	28%	0.278	C	S	.	.			trans	-104	9	-176	-66	-90.5	0	0	0	113.7	F114 N115 M118 N149 Q161 A165 W166 Y167	F114-F163 HydrophobicContact CB-CD2 3.8Å; F114-F163 HydrophobicContact CB-CE2 4.36Å; F114-F163 HydrophobicContact CB-CG 4.49Å; F114-F163 WeakPolarHBondContact O-CE2 3.09Å; N115-F163 HydrophobicContact CB-CE2 4.44Å; M118-F163 HydrophobicContact CE-CZ 4.05Å; M118-F163 HydrophobicContact CG-CD1 4.48Å; M118-F163 HydrophobicContact CG-CE1 3.4Å; M118-F163 HydrophobicContact CG-CZ 3.66Å; M118-F163 HydrophobicContact SD-CE1 3.68Å; M118-F163 HydrophobicContact SD-CZ 3.76Å; N149-F163 PolarHBondContact OD1-N 2.96Å; Q161-F163 HydrophobicContact CB-CD2 4.45Å; Q161-F163 HydrophobicContact CB-CE2 3.59Å; Q161-F163 HydrophobicContact CB-CZ 3.79Å; Q161-F163 HydrophobicContact CG-CD2 4.22Å; Q161-F163 HydrophobicContact CG-CE1 4.08Å; Q161-F163 HydrophobicContact CG-CE2 3.6Å; Q161-F163 HydrophobicContact CG-CZ 3.52Å; Q161-F163 WeakPolarHBondContact O-CD2 3.5Å; Q161-F163 WeakPolarHBondContact O-CE2 3.44Å; F163-A165 PolarHBondContact O-N 3.2Å; F163-W166 HydrophobicContact CD1-CB 4.5Å; F163-W166 HydrophobicContact CD1-CD2 4.21Å; F163-W166 HydrophobicContact CD1-CE3 4.03Å; F163-W166 HydrophobicContact CD1-CG 4.43Å; F163-W166 HydrophobicContact CE1-CE3 4.18Å; F163-W166 HydrophobicContact CE1-CZ3 4.39Å; F163-W166 PolarHBondContact O-N 3.26Å; F163-Y167 HydrophobicContact CB-CD2 3.7Å; F163-Y167 HydrophobicContact CB-CE2 3.74Å; F163-Y167 HydrophobicContact CD1-CE2 4.5Å; F163-Y167 HydrophobicContact CG-CE2 4.34Å; F163-Y167 WeakPolarHBondContact O-CD2 3.48Å; F163-Y167 PolarHBondContact O-N 3.44Å
164	A	98.9	Very high	98.6	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.008	26%	0.264	C	S	.	.	H	α-helix	trans	-53	-51.6	-179.4	0	0	0	0	0	112.2	A168 L201 I302	A164-A168 WeakPolarHBondContact O-CB 3.35Å; A164-A168 PolarHBondContact O-N 3.03Å; A164-L201 VanDerWaalsContact CA-CD1 3.47Å; A164-L201 HydrophobicContact CB-CD1 3.91Å; A164-I302 HydrophobicContact CB-CD1 4.16Å; A164-I302 HydrophobicContact CB-CG1 3.88Å
165	A	98.9	Very high	98.8	Very high	25 Å²	25	45 Å²	45	21%	0.207	25%	0.249	C	C	.	.	H	α-helix	trans	-65.6	-39.9	178.9	0	0	0	0	0	113.2	F163 A168 H169 F300 I302	F163-A165 PolarHBondContact O-N 3.2Å; A165-A168 PolarHBondContact O-N 2.99Å; A165-H169 PolarHBondContact O-N 3.13Å; A165-H169 VanDerWaalsContact O-N 3.11Å; A165-F300 WeakPolarHBondContact CB-O 3.42Å; A165-I302 HydrophobicContact CB-CD1 3.97Å
166	W	98.9	Very high	98.8	Very high	127 Å²	127	42.9 Å²	42.9	48%	0.481	24%	0.236	S	C	.	.	H	α-helix	trans	-60.1	-54.7	179.4	-82.3	36.1	0	0	0	111.6	M118 I121 F163 H169	M118-W166 HydrophobicContact SD-CZ3 4.48Å; I121-W166 HydrophobicContact CD1-CE3 3.82Å; I121-W166 HydrophobicContact CD1-CZ3 4.21Å; F163-W166 HydrophobicContact CD1-CB 4.5Å; F163-W166 HydrophobicContact CD1-CD2 4.21Å; F163-W166 HydrophobicContact CD1-CE3 4.03Å; F163-W166 HydrophobicContact CD1-CG 4.43Å; F163-W166 HydrophobicContact CE1-CE3 4.18Å; F163-W166 HydrophobicContact CE1-CZ3 4.39Å; F163-W166 PolarHBondContact O-N 3.26Å; W166-H169 PolarHBondContact O-N 3.37Å
167	Y	98.9	Very high	98.8	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	23%	0.226	C	C	.	.	H	α-helix	trans	-71.3	-34.1	-179.5	-72.3	-64.5	0	0	0	112.4	F114 S117 I121 V124 I125 F163 H169 C170 L173 V199 L201	F114-Y167 AromaticContact CD1-CE2 3.84Å; F114-Y167 HydrophobicContact CD1-CE2 3.84Å; F114-Y167 HydrophobicContact CE1-CE2 4.03Å; S117-Y167 PolarHBondContact OG-OH 3.16Å; I121-Y167 HydrophobicContact CD1-CE1 4.02Å; I121-Y167 HydrophobicContact CG1-CE1 3.92Å; V124-Y167 HydrophobicContact CB-CE1 4.09Å; V124-Y167 HydrophobicContact CG1-CD1 4.1Å; V124-Y167 HydrophobicContact CG1-CE1 3.63Å; V124-Y167 HydrophobicContact CG2-CE1 4.48Å; I125-Y167 HydrophobicContact CD1-CD1 4.02Å; I125-Y167 HydrophobicContact CD1-CE1 4.19Å; F163-Y167 HydrophobicContact CB-CD2 3.7Å; F163-Y167 HydrophobicContact CB-CE2 3.74Å; F163-Y167 HydrophobicContact CD1-CE2 4.5Å; F163-Y167 HydrophobicContact CG-CE2 4.34Å; F163-Y167 WeakPolarHBondContact O-CD2 3.48Å; F163-Y167 PolarHBondContact O-N 3.44Å; Y167-H169 PolarHBondContact O-N 3.43Å; Y167-C170 PolarHBondContact O-N 3.17Å; Y167-L173 HydrophobicContact CD1-CD1 3.65Å; Y167-L173 HydrophobicContact CG-CD1 4.31Å; Y167-V199 HydrophobicContact CD1-CG2 4Å; Y167-V199 HydrophobicContact CD2-CG1 3.9Å; Y167-V199 HydrophobicContact CE2-CG1 4.38Å; Y167-V199 HydrophobicContact CG-CB 4.46Å; Y167-V199 HydrophobicContact CG-CG1 3.99Å; Y167-V199 HydrophobicContact CG-CG2 4.15Å; Y167-L201 HydrophobicContact CD2-CD2 4.47Å
168	A	98.6	Very high	98.8	Very high	16 Å²	16	40 Å²	40	13%	0.132	21%	0.212	C	C	.	.	H	α-helix	trans	-67.3	-21.2	178	0	0	0	0	0	113.5	A164 A165 C170 I272 R273 I302	A164-A168 WeakPolarHBondContact O-CB 3.35Å; A164-A168 PolarHBondContact O-N 3.03Å; A165-A168 PolarHBondContact O-N 2.99Å; A168-C170 VanDerWaalsContact C-N 3.3Å; A168-C170 PolarHBondContact O-N 2.91Å; A168-I272 HydrophobicContact CB-CB 4.36Å; A168-I272 HydrophobicContact CB-CG2 3.57Å; A168-R273 HydrophobicContact CB-CB 4.19Å; A168-R273 WeakPolarHBondContact O-CD 3.46Å; A168-R273 PolarHBondContact O-NH1 2.88Å; A168-I302 HydrophobicContact CB-CD1 4.27Å
169	H	98.9	Very high	98.9	Very high	154 Å²	154	33.5 Å²	33.5	71%	0.713	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-26.3	175.1	-166.8	70.1	0	0	0	113	A165 W166 Y167 P171	A165-H169 PolarHBondContact O-N 3.13Å; A165-H169 VanDerWaalsContact O-N 3.11Å; W166-H169 PolarHBondContact O-N 3.37Å; Y167-H169 PolarHBondContact O-N 3.43Å; H169-P171 WeakPolarHBondContact O-CD 3.43Å
170	C	98.9	Very high	98.9	Very high	24 Å²	24	30.2 Å²	30.2	16%	0.162	17%	0.166	C	C	.	.	S	Bend	trans	-87.2	119.9	-167.5	-61.3	0	0	0	0	114.2	I125 Y167 A168 L173 R273	I125-C170 HydrophobicContact CD1-CB 3.75Å; I125-C170 WeakPolarHBondContact CD1-SG 3.46Å; Y167-C170 PolarHBondContact O-N 3.17Å; A168-C170 VanDerWaalsContact C-N 3.3Å; A168-C170 PolarHBondContact O-N 2.91Å; C170-L173 HydrophobicContact CB-CD1 4.06Å; C170-L173 HydrophobicContact CB-CG 4.3Å; C170-L173 PolarHBondContact O-N 3.47Å; C170-R273 WeakPolarHBondContact O-CD 3.49Å; C170-R273 PolarHBondContact O-NE 3.31Å
171	P	98.8	Very high	98.9	Very high	89 Å²	89	29.7 Å²	29.7	58%	0.578	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	148.3	168.7	-21.9	34.8	0	0	0	112.4	H169 L173	H169-P171 WeakPolarHBondContact O-CD 3.43Å; P171-L173 VanDerWaalsContact C-N 3.3Å; P171-L173 PolarHBondContact O-N 3.27Å
172	G	98.6	Very high	98.9	Very high	39 Å²	39	30.7 Å²	30.7	40%	0.402	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-21.5	-175.5	0	0	0	0	0	114.8	A129	A129-G172 WeakPolarHBondContact O-CA 3.29Å
173	L	98.9	Very high	98.9	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.031	16%	0.16	C	C	.	.			trans	-82.9	151.9	169.8	-66.7	-173.1	0	0	0	112.8	V124 I125 A129 Y167 C170 P171 V175 P197 V199 R273	V124-L173 HydrophobicContact CG1-CD1 4.36Å; V124-L173 HydrophobicContact CG1-CD2 4.16Å; I125-L173 HydrophobicContact CD1-CD1 3.6Å; I125-L173 HydrophobicContact CD1-CG 4.28Å; A129-L173 HydrophobicContact CB-CD2 3.55Å; A129-L173 HydrophobicContact CB-CG 3.77Å; Y167-L173 HydrophobicContact CD1-CD1 3.65Å; Y167-L173 HydrophobicContact CG-CD1 4.31Å; C170-L173 HydrophobicContact CB-CD1 4.06Å; C170-L173 HydrophobicContact CB-CG 4.3Å; C170-L173 PolarHBondContact O-N 3.47Å; P171-L173 VanDerWaalsContact C-N 3.3Å; P171-L173 PolarHBondContact O-N 3.27Å; L173-V175 HydrophobicContact CB-CG2 4.14Å; L173-V175 HydrophobicContact CD1-CG2 4.38Å; L173-P197 HydrophobicContact CD2-CB 3.8Å; L173-V199 HydrophobicContact CD1-CG2 3.87Å; L173-V199 HydrophobicContact CD2-CG2 4.21Å; L173-R273 VanDerWaalsContact O-CD 3.29Å; L173-R273 WeakPolarHBondContact O-CD 3.37Å; L173-R273 PolarHBondContact O-NE 3.04Å
174	K	99	Very high	98.9	Very high	54 Å²	54	29.7 Å²	29.7	24%	0.235	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	144.5	149.8	-69.2	162.9	-177.3	170.8	0	108.4	D194 N196 P197 V198 V199 I226 R273	K174-D194 WeakPolarHBondContact CD-OD2 3.44Å; K174-D194 IonicContact NZ-OD1 3.04Å; K174-D194 PolarHBondContact NZ-OD1 2.87Å; K174-D194 IonicContact NZ-OD2 3.63Å; K174-D194 PolarHBondContact NZ-OD2 2.77Å; K174-N196 PolarHBondContact NZ-ND2 3.25Å; K174-P197 PolarHBondContact N-O 3.06Å; K174-V198 HydrophobicContact CB-CG1 4.21Å; K174-V198 HydrophobicContact CB-CG2 4.21Å; K174-V198 HydrophobicContact CD-CG2 4.47Å; K174-V198 WeakPolarHBondContact O-CA 3.29Å; K174-V199 PolarHBondContact O-N 3.25Å; K174-I226 HydrophobicContact CB-CG2 4.28Å; K174-I226 HydrophobicContact CD-CG2 4.39Å; K174-I226 HydrophobicContact CG-CG2 4.41Å; K174-R273 CarbonylContact C-O 3.59Å; K174-R273 WeakPolarHBondContact CA-O 3.35Å
175	V	99	Very high	98.9	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	122.9	-176.6	-173.5	0	0	0	0	109.5	L173 V199 L201 T271 I272 R273	L173-V175 HydrophobicContact CB-CG2 4.14Å; L173-V175 HydrophobicContact CD1-CG2 4.38Å; V175-V199 WeakPolarHBondContact CA-O 3.41Å; V175-V199 HydrophobicContact CG1-CB 4.37Å; V175-V199 HydrophobicContact CG2-CB 4.26Å; V175-L201 HydrophobicContact CG1-CD1 3.65Å; V175-L201 HydrophobicContact CG1-CG 4.26Å; V175-T271 WeakPolarHBondContact O-CG2 3.36Å; V175-I272 HydrophobicContact CB-CB 4.32Å; V175-I272 HydrophobicContact CG1-CB 4.11Å; V175-I272 HydrophobicContact CG1-CG1 4.35Å; V175-I272 PolarHBondContact O-N 2.91Å; V175-R273 HydrophobicContact CB-CB 3.9Å; V175-R273 HydrophobicContact CG2-CB 3.96Å; V175-R273 PolarHBondContact N-O 3.38Å; V175-R273 PolarHBondContact O-N 2.93Å
176	V	98.9	Very high	98.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	154.3	179.6	-61.6	0	0	0	0	110.8	L187 V198 V199 F200 L201 I226 R270 T271	V176-L187 HydrophobicContact CB-CD1 4.46Å; V176-L187 HydrophobicContact CG1-CD2 4.34Å; V176-V198 HydrophobicContact CG2-CG1 4.33Å; V176-V199 PolarHBondContact N-O 2.97Å; V176-F200 HydrophobicContact CG2-CB 4.3Å; V176-F200 HydrophobicContact CG2-CD2 3.19Å; V176-F200 HydrophobicContact CG2-CE2 3.62Å; V176-F200 HydrophobicContact CG2-CG 3.99Å; V176-L201 WeakPolarHBondContact O-CB 3.27Å; V176-L201 PolarHBondContact O-N 2.71Å; V176-I226 HydrophobicContact CG1-CG1 4.2Å; V176-I226 HydrophobicContact CG1-CG2 3.98Å; V176-R270 WeakPolarHBondContact CA-O 3.41Å; V176-T271 HydrophobicContact CG1-CG2 4.01Å
177	S	98.9	Very high	98.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.			trans	-147.2	87.3	-178.9	-166	0	0	0	0	110.3	L201 H243 S244 R270	S177-L201 WeakPolarHBondContact CA-O 3.36Å; S177-L201 PolarHBondContact OG-O 3.46Å; S177-H243 WeakPolarHBondContact CB-ND1 3.32Å; S177-H243 PolarHBondContact OG-ND1 2.91Å; S177-H243 VanDerWaalsContact OG-ND1 3.09Å; S177-S244 PolarHBondContact O-N 3.48Å; S177-R270 PolarHBondContact N-O 3.02Å
178	P	98.9	Very high	98.9	Very high	6 Å²	6	22.8 Å²	22.8	4%	0.039	13%	0.128	C	C	.	.			trans	-65.7	151.5	-176.4	28.8	-37.1	0	0	0	112.5	D183 A184 L187 F200 S244	P178-D183 HydrophobicContact CB-CB 3.5Å; P178-D183 VanDerWaalsContact CB-CB 3.5Å; P178-A184 HydrophobicContact CB-CB 4.18Å; P178-A184 HydrophobicContact CG-CB 4.45Å; P178-L187 HydrophobicContact CB-CD1 4.27Å; P178-F200 HydrophobicContact CG-CE1 3.84Å; P178-F200 HydrophobicContact CG-CZ 3.77Å; P178-S244 WeakPolarHBondContact O-CA 3.44Å; P178-S244 PolarHBondContact O-OG 3.01Å
179	W	98.9	Very high	98.9	Very high	27 Å²	27	22 Å²	22	10%	0.102	12%	0.122	C	C	.	.			trans	-103.2	-53.9	171	166.3	51.5	0	0	0	112.2	D183 M206 F211 E232 S244 V247 L251	W179-D183 WeakPolarHBondContact CA-OD2 3.46Å; W179-D183 WeakPolarHBondContact CB-OD2 3.06Å; W179-D183 PolarHBondContact N-OD2 3.2Å; W179-M206 WeakPolarHBondContact O-CE 3.38Å; W179-F211 HydrophobicContact CH2-CE1 4.05Å; W179-F211 AromaticContact CZ2-CE1 3.76Å; W179-F211 HydrophobicContact CZ2-CE1 3.76Å; W179-F211 HydrophobicContact CZ2-CZ 4.07Å; W179-E232 HydrophobicContact CE3-CG 4.38Å; W179-E232 HydrophobicContact CZ3-CG 4.03Å; W179-S244 WeakPolarHBondContact CB-O 3.27Å; W179-V247 HydrophobicContact CB-CB 4.15Å; W179-V247 HydrophobicContact CB-CG2 4.21Å; W179-V247 HydrophobicContact CD2-CB 3.71Å; W179-V247 HydrophobicContact CD2-CG1 3.64Å; W179-V247 HydrophobicContact CE3-CB 4.05Å; W179-V247 HydrophobicContact CE3-CG1 3.44Å; W179-V247 VanDerWaalsContact CE3-CG1 3.44Å; W179-V247 HydrophobicContact CG-CB 3.72Å; W179-V247 HydrophobicContact CG-CG1 4.16Å; W179-V247 HydrophobicContact CG-CG2 4.32Å; W179-V247 HydrophobicContact CH2-CG1 4.45Å; W179-V247 HydrophobicContact CZ3-CG1 3.89Å; W179-L251 HydrophobicContact CH2-CD1 3.27Å; W179-L251 HydrophobicContact CZ2-CD1 3.85Å; W179-L251 HydrophobicContact CZ3-CD1 3.87Å
180	N	98.9	Very high	98.9	Very high	9 Å²	9	15.4 Å²	15.4	5%	0.048	9%	0.094	C	C	.	.	S	Bend	trans	-112.5	179.7	-171.5	64.4	45.9	0	0	0	113.3	E182 D183 A184 F211 E232	N180-E182 VanDerWaalsContact C-N 3.35Å; N180-E182 PolarHBondContact O-N 3.42Å; N180-E182 WeakPolarHBondContact OD1-CB 3.35Å; N180-E182 PolarHBondContact OD1-N 3.16Å; N180-D183 PolarHBondContact N-OD2 3.05Å; N180-D183 VanDerWaalsContact N-OD2 3.09Å; N180-D183 WeakPolarHBondContact O-CB 3.49Å; N180-D183 PolarHBondContact O-N 3.31Å; N180-D183 VanDerWaalsContact OD1-CG 3.25Å; N180-D183 PolarHBondContact OD1-N 3.04Å; N180-D183 PolarHBondContact OD1-OD1 3.4Å; N180-A184 VanDerWaalsContact O-CB 3.26Å; N180-A184 WeakPolarHBondContact O-CB 3.34Å; N180-A184 PolarHBondContact O-N 3.48Å; N180-F211 HydrophobicContact CB-CD1 3.74Å; N180-F211 HydrophobicContact CB-CD2 3.92Å; N180-F211 HydrophobicContact CB-CE1 3.61Å; N180-F211 HydrophobicContact CB-CE2 3.8Å; N180-F211 HydrophobicContact CB-CG 3.89Å; N180-F211 HydrophobicContact CB-CZ 3.63Å; N180-E232 PolarHBondContact ND2-OE1 3.03Å
181	S	98.8	Very high	98.9	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-65.1	-33.2	-178.5	-58.3	0	0	0	0	113.7	V34 V36 A39 R185	V34-S181 PolarHBondContact O-OG 3.34Å; V36-S181 PolarHBondContact N-OG 3.43Å; A39-S181 WeakPolarHBondContact CB-O 3.24Å; S181-R185 PolarHBondContact O-N 2.99Å; S181-R185 VanDerWaalsContact O-N 3.08Å
182	E	98.8	Very high	98.9	Very high	46 Å²	46	10.3 Å²	10.3	22%	0.215	6%	0.06	C	C	.	.	H	α-helix	trans	-65.6	-50.6	175.2	-175	-162.7	112.7	0	0	109.8	N180 A184 G186 M213 F222 I224 K230 R270	N180-E182 VanDerWaalsContact C-N 3.35Å; N180-E182 PolarHBondContact O-N 3.42Å; N180-E182 WeakPolarHBondContact OD1-CB 3.35Å; N180-E182 PolarHBondContact OD1-N 3.16Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 2.98Å; E182-G186 PolarHBondContact O-N 2.66Å; E182-M213 HydrophobicContact CB-SD 4.24Å; E182-F222 HydrophobicContact CG-CE1 4.02Å; E182-F222 HydrophobicContact CG-CZ 3.71Å; E182-I224 HydrophobicContact CG-CD1 4.46Å; E182-I224 VanDerWaalsContact O-CD1 3.26Å; E182-I224 WeakPolarHBondContact O-CD1 3.49Å; E182-K230 IonicContact OE1-NZ 2.64Å; E182-K230 PolarHBondContact OE1-NZ 2.84Å; E182-K230 IonicContact OE2-NZ 2.92Å; E182-K230 PolarHBondContact OE2-NZ 3.44Å; E182-R270 IonicContact OE1-CZ 3.18Å; E182-R270 IonicContact OE1-NH1 2.7Å; E182-R270 IonicContact OE1-NH2 2.85Å; E182-R270 PolarHBondContact OE1-NH2 2.88Å
183	D	98.9	Very high	98.9	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-54.3	-52	174.4	-59.9	-24.8	0	0	0	111	P178 W179 N180 R185 G186 L187 N268 R270	P178-D183 HydrophobicContact CB-CB 3.5Å; P178-D183 VanDerWaalsContact CB-CB 3.5Å; W179-D183 WeakPolarHBondContact CA-OD2 3.46Å; W179-D183 WeakPolarHBondContact CB-OD2 3.06Å; W179-D183 PolarHBondContact N-OD2 3.2Å; N180-D183 PolarHBondContact N-OD2 3.05Å; N180-D183 VanDerWaalsContact N-OD2 3.09Å; N180-D183 WeakPolarHBondContact O-CB 3.49Å; N180-D183 PolarHBondContact O-N 3.31Å; N180-D183 VanDerWaalsContact OD1-CG 3.25Å; N180-D183 PolarHBondContact OD1-N 3.04Å; N180-D183 PolarHBondContact OD1-OD1 3.4Å; D183-R185 PolarHBondContact O-N 2.97Å; D183-G186 PolarHBondContact O-N 2.69Å; D183-L187 HydrophobicContact CB-CD1 4.11Å; D183-L187 WeakPolarHBondContact O-CB 3.39Å; D183-L187 VanDerWaalsContact O-CG 3.26Å; D183-L187 WeakPolarHBondContact O-CG 3.49Å; D183-L187 PolarHBondContact O-N 2.87Å; D183-N268 PolarHBondContact OD1-ND2 3.22Å; D183-N268 PolarHBondContact OD2-ND2 3.49Å; D183-R270 IonicContact OD1-CZ 3.99Å; D183-R270 IonicContact OD1-NE 2.72Å; D183-R270 PolarHBondContact OD1-NE 3.5Å; D183-R270 IonicContact OD1-NH2 3.27Å; D183-R270 PolarHBondContact OD1-NH2 3.4Å
184	A	98.9	Very high	98.9	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.8	-46.1	-171.9	0	0	0	0	0	111.9	V36 L40 P178 N180 E182 L188	V36-A184 HydrophobicContact CG1-CB 3.76Å; L40-A184 HydrophobicContact CD2-CB 3.81Å; L40-A184 HydrophobicContact CG-CB 3.99Å; P178-A184 HydrophobicContact CB-CB 4.18Å; P178-A184 HydrophobicContact CG-CB 4.45Å; N180-A184 VanDerWaalsContact O-CB 3.26Å; N180-A184 WeakPolarHBondContact O-CB 3.34Å; N180-A184 PolarHBondContact O-N 3.48Å; E182-A184 VanDerWaalsContact C-N 3.35Å; E182-A184 PolarHBondContact O-N 2.98Å; A184-L188 WeakPolarHBondContact O-CB 3.39Å; A184-L188 PolarHBondContact O-N 3.37Å
185	R	98.6	Very high	98.9	Very high	9 Å²	9	14.2 Å²	14.2	3%	0.034	7%	0.069	C	C	.	.	H	α-helix	trans	-70.2	-50	177.4	-173.7	165	175.5	-160.7	-20.3	111.6	A39 A43 E46 S181 D183 K189 M213 Q218 S219	A39-R185 HydrophobicContact CB-CB 4.15Å; A43-R185 HydrophobicContact CB-CG 4.15Å; E46-R185 IonicContact OE1-CZ 2.72Å; E46-R185 IonicContact OE1-NE 3.45Å; E46-R185 IonicContact OE1-NH2 2.73Å; E46-R185 PolarHBondContact OE1-NH2 3.33Å; E46-R185 IonicContact OE2-CZ 3.75Å; E46-R185 IonicContact OE2-NE 3.72Å; E46-R185 PolarHBondContact OE2-NE 2.9Å; E46-R185 IonicContact OE2-NH2 2.91Å; E46-R185 PolarHBondContact OE2-NH2 2.88Å; S181-R185 PolarHBondContact O-N 2.99Å; S181-R185 VanDerWaalsContact O-N 3.08Å; D183-R185 PolarHBondContact O-N 2.97Å; R185-K189 HydrophobicContact CG-CD 3.84Å; R185-K189 WeakPolarHBondContact O-CD 3.26Å; R185-K189 VanDerWaalsContact O-CG 3.25Å; R185-K189 WeakPolarHBondContact O-CG 3.45Å; R185-K189 PolarHBondContact O-N 3.41Å; R185-M213 HydrophobicContact CB-CE 4.41Å; R185-Q218 VanDerWaalsContact NH2-C 3.28Å; R185-Q218 PolarHBondContact NH2-O 3.21Å; R185-S219 PolarHBondContact NH2-O 2.65Å
186	G	98.8	Very high	98.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-67.7	-39.3	-174.2	0	0	0	0	0	113.8	E182 D183 A190 T223 I224	E182-G186 PolarHBondContact O-N 2.66Å; D183-G186 PolarHBondContact O-N 2.69Å; G186-A190 WeakPolarHBondContact O-CB 3.15Å; G186-A190 PolarHBondContact O-N 3.41Å; G186-T223 WeakPolarHBondContact O-CA 3.34Å; G186-I224 PolarHBondContact O-N 3.15Å
187	L	98.9	Very high	98.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-76.3	-35.7	177.9	-65.4	166.2	0	0	0	112	V176 P178 D183 A190 A191 F200 I224 R270	V176-L187 HydrophobicContact CB-CD1 4.46Å; V176-L187 HydrophobicContact CG1-CD2 4.34Å; P178-L187 HydrophobicContact CB-CD1 4.27Å; D183-L187 HydrophobicContact CB-CD1 4.11Å; D183-L187 WeakPolarHBondContact O-CB 3.39Å; D183-L187 VanDerWaalsContact O-CG 3.26Å; D183-L187 WeakPolarHBondContact O-CG 3.49Å; D183-L187 PolarHBondContact O-N 2.87Å; L187-A190 PolarHBondContact O-N 3.11Å; L187-A191 WeakPolarHBondContact O-CB 3.47Å; L187-A191 PolarHBondContact O-N 3.04Å; L187-F200 HydrophobicContact CB-CE2 3.72Å; L187-F200 HydrophobicContact CB-CZ 4.31Å; L187-I224 HydrophobicContact CD2-CB 3.84Å; L187-I224 HydrophobicContact CD2-CG2 3.55Å; L187-I224 HydrophobicContact CG-CB 4.07Å; L187-I224 HydrophobicContact CG-CD1 4.31Å; L187-I224 HydrophobicContact CG-CG2 4.09Å; L187-R270 HydrophobicContact CD1-CB 4.02Å; L187-R270 HydrophobicContact CD1-CG 4.44Å
188	L	98.9	Very high	98.9	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-69.4	-39.9	-179.4	-175.3	55.4	0	0	0	111	L40 A43 M44 V144 A184 A190 A191 I192 F200	L40-L188 HydrophobicContact CB-CD2 4.41Å; L40-L188 HydrophobicContact CD2-CB 4.41Å; L40-L188 HydrophobicContact CD2-CD2 3.75Å; A43-L188 HydrophobicContact CB-CB 3.94Å; A43-L188 HydrophobicContact CB-CD2 4.01Å; A43-L188 HydrophobicContact CB-CG 4.12Å; M44-L188 HydrophobicContact CG-CD2 3.74Å; V144-L188 HydrophobicContact CG1-CD1 4.06Å; A184-L188 WeakPolarHBondContact O-CB 3.39Å; A184-L188 PolarHBondContact O-N 3.37Å; L188-A190 VanDerWaalsContact C-N 3.33Å; L188-A190 PolarHBondContact O-N 3.49Å; L188-A191 PolarHBondContact O-N 3.2Å; L188-I192 HydrophobicContact CD1-CD1 4.14Å; L188-I192 HydrophobicContact CD1-CG1 4.27Å; L188-I192 HydrophobicContact CG-CD1 3.94Å; L188-I192 WeakPolarHBondContact O-CD1 3.43Å; L188-I192 VanDerWaalsContact O-CG1 3.29Å; L188-I192 WeakPolarHBondContact O-CG1 3.3Å; L188-I192 PolarHBondContact O-N 3.37Å; L188-F200 VanDerWaalsContact CA-CE2 3.49Å; L188-F200 HydrophobicContact CB-CD2 4.48Å; L188-F200 HydrophobicContact CB-CE1 4.23Å; L188-F200 HydrophobicContact CB-CE2 3.77Å; L188-F200 HydrophobicContact CB-CZ 3.62Å; L188-F200 HydrophobicContact CD1-CD1 4.25Å; L188-F200 HydrophobicContact CD1-CD2 4.08Å; L188-F200 HydrophobicContact CD1-CE1 4.34Å; L188-F200 HydrophobicContact CD1-CE2 4.21Å; L188-F200 HydrophobicContact CD1-CG 4.15Å; L188-F200 HydrophobicContact CD1-CZ 4.34Å; L188-F200 HydrophobicContact CG-CZ 4.45Å; L188-F200 VanDerWaalsContact N-CE2 3.35Å
189	K	98.9	Very high	98.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-62.2	-40.9	172.3	-66.1	168.7	67	67.3	0	111.5	A43 E46 E47 R185 R193 K220 F222 T223	A43-K189 HydrophobicContact CB-CD 4.22Å; A43-K189 HydrophobicContact CB-CG 3.67Å; E46-K189 VanDerWaalsContact OE2-CE 3.3Å; E46-K189 WeakPolarHBondContact OE2-CE 3.48Å; E46-K189 IonicContact OE2-NZ 2.66Å; E46-K189 PolarHBondContact OE2-NZ 3.29Å; E47-K189 HydrophobicContact CG-CB 4.45Å; E47-K189 HydrophobicContact CG-CG 4.24Å; E47-K189 IonicContact OE1-NZ 3.81Å; E47-K189 PolarHBondContact OE1-NZ 3.22Å; R185-K189 HydrophobicContact CG-CD 3.84Å; R185-K189 WeakPolarHBondContact O-CD 3.26Å; R185-K189 VanDerWaalsContact O-CG 3.25Å; R185-K189 WeakPolarHBondContact O-CG 3.45Å; R185-K189 PolarHBondContact O-N 3.41Å; K189-R193 WeakPolarHBondContact O-CB 3.22Å; K189-R193 WeakPolarHBondContact O-CD 3.19Å; K189-R193 WeakPolarHBondContact O-CG 3.25Å; K189-R193 PolarHBondContact O-N 3.23Å; K189-K220 WeakPolarHBondContact CE-O 3.35Å; K189-K220 PolarHBondContact NZ-O 3.33Å; K189-F222 VanDerWaalsContact CD-O 3.31Å; K189-F222 WeakPolarHBondContact CD-O 3.44Å; K189-F222 WeakPolarHBondContact CE-O 3.48Å; K189-T223 HydrophobicContact CB-CG2 3.96Å
190	A	98.9	Very high	98.9	Very high	15 Å²	15	15 Å²	15	12%	0.124	8%	0.075	C	C	.	.	H	α-helix	trans	-63.5	-41.7	173.4	0	0	0	0	0	112.3	G186 L187 L188 R193 D194 I224 I226	G186-A190 WeakPolarHBondContact O-CB 3.15Å; G186-A190 PolarHBondContact O-N 3.41Å; L187-A190 PolarHBondContact O-N 3.11Å; L188-A190 VanDerWaalsContact C-N 3.33Å; L188-A190 PolarHBondContact O-N 3.49Å; A190-R193 CarbonylContact O-C 3.59Å; A190-R193 PolarHBondContact O-N 2.98Å; A190-D194 PolarHBondContact O-N 3.14Å; A190-D194 VanDerWaalsContact O-N 3.14Å; A190-I224 VanDerWaalsContact CB-O 3.22Å; A190-I224 WeakPolarHBondContact CB-O 3.49Å; A190-I226 HydrophobicContact CB-CD1 4.35Å; A190-I226 HydrophobicContact CB-CG1 4.15Å
191	A	98.9	Very high	98.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.7	-45.9	178.9	0	0	0	0	0	112.7	V144 L187 L188 R193 D194 V198 F200	V144-A191 HydrophobicContact CG1-CB 4.36Å; V144-A191 VanDerWaalsContact CG2-C 3.47Å; V144-A191 HydrophobicContact CG2-CB 3.85Å; V144-A191 WeakPolarHBondContact CG2-O 3.16Å; L187-A191 WeakPolarHBondContact O-CB 3.47Å; L187-A191 PolarHBondContact O-N 3.04Å; L188-A191 PolarHBondContact O-N 3.2Å; A191-R193 PolarHBondContact O-N 2.87Å; A191-D194 WeakPolarHBondContact O-CB 3.26Å; A191-D194 PolarHBondContact O-N 3.32Å; A191-D194 VanDerWaalsContact O-N 3.1Å; A191-V198 HydrophobicContact CB-CB 3.94Å; A191-V198 HydrophobicContact CB-CG1 3.72Å; A191-V198 HydrophobicContact CB-CG2 4.19Å; A191-F200 HydrophobicContact CB-CD2 4.26Å
192	I	98.9	Very high	98.9	Very high	6 Å²	6	14.7 Å²	14.7	3%	0.031	7%	0.074	C	C	.	.	H	α-helix	trans	-65.1	-30	178.1	-62.2	161	0	0	0	111.2	E47 V54 R106 I108 V144 L188	E47-I192 HydrophobicContact CB-CB 4.32Å; E47-I192 HydrophobicContact CB-CD1 4.04Å; E47-I192 HydrophobicContact CB-CG2 3.72Å; E47-I192 HydrophobicContact CG-CB 4.16Å; E47-I192 HydrophobicContact CG-CD1 4Å; E47-I192 HydrophobicContact CG-CG2 4.07Å; V54-I192 HydrophobicContact CG1-CG2 3.97Å; V54-I192 HydrophobicContact CG2-CG2 3.7Å; R106-I192 PolarHBondContact NE-O 2.87Å; R106-I192 PolarHBondContact NH2-O 3.23Å; I108-I192 HydrophobicContact CD1-CD1 3.57Å; I108-I192 HydrophobicContact CD1-CG1 3.9Å; I108-I192 HydrophobicContact CG1-CD1 4.33Å; I108-I192 HydrophobicContact CG1-CG1 4.09Å; V144-I192 HydrophobicContact CG2-CB 4.49Å; V144-I192 HydrophobicContact CG2-CG1 3.98Å; L188-I192 HydrophobicContact CD1-CD1 4.14Å; L188-I192 HydrophobicContact CD1-CG1 4.27Å; L188-I192 HydrophobicContact CG-CD1 3.94Å; L188-I192 WeakPolarHBondContact O-CD1 3.43Å; L188-I192 VanDerWaalsContact O-CG1 3.29Å; L188-I192 WeakPolarHBondContact O-CG1 3.3Å; L188-I192 PolarHBondContact O-N 3.37Å
193	R	98.8	Very high	98.9	Very high	67 Å²	67	13.1 Å²	13.1	25%	0.253	7%	0.067	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-6.2	175.9	-67.9	171.5	-173.9	-170.4	4.8	114	E47 R106 K189 A190 A191 K220 T223	E47-R193 VanDerWaalsContact CD-NE 3.32Å; E47-R193 IonicContact OE1-CZ 3.68Å; E47-R193 IonicContact OE1-NE 3.45Å; E47-R193 PolarHBondContact OE1-NE 2.86Å; E47-R193 IonicContact OE1-NH2 2.84Å; E47-R193 PolarHBondContact OE1-NH2 3.47Å; E47-R193 WeakPolarHBondContact OE2-CG 3.37Å; E47-R193 IonicContact OE2-CZ 3.88Å; E47-R193 IonicContact OE2-NE 2.75Å; E47-R193 PolarHBondContact OE2-NE 3.17Å; E47-R193 IonicContact OE2-NH2 2.7Å; R106-R193 VanDerWaalsContact NH2-C 3.29Å; R106-R193 PolarHBondContact NH2-O 2.72Å; K189-R193 WeakPolarHBondContact O-CB 3.22Å; K189-R193 WeakPolarHBondContact O-CD 3.19Å; K189-R193 WeakPolarHBondContact O-CG 3.25Å; K189-R193 PolarHBondContact O-N 3.23Å; A190-R193 CarbonylContact O-C 3.59Å; A190-R193 PolarHBondContact O-N 2.98Å; A191-R193 PolarHBondContact O-N 2.87Å; R193-K220 PolarHBondContact NH2-O 2.75Å; R193-T223 VanDerWaalsContact NH1-CG2 3.33Å
194	D	98.8	Very high	98.9	Very high	27 Å²	27	15.1 Å²	15.1	14%	0.144	8%	0.076	C	C	.	.			trans	-86.2	140.8	179.4	-152.5	-65.7	0	0	0	111.9	R106 K174 A190 A191 N196 V198	R106-D194 VanDerWaalsContact NH2-C 3.31Å; R106-D194 PolarHBondContact NH2-O 3.07Å; K174-D194 WeakPolarHBondContact CD-OD2 3.44Å; K174-D194 IonicContact NZ-OD1 3.04Å; K174-D194 PolarHBondContact NZ-OD1 2.87Å; K174-D194 IonicContact NZ-OD2 3.63Å; K174-D194 PolarHBondContact NZ-OD2 2.77Å; A190-D194 PolarHBondContact O-N 3.14Å; A190-D194 VanDerWaalsContact O-N 3.14Å; A191-D194 WeakPolarHBondContact O-CB 3.26Å; A191-D194 PolarHBondContact O-N 3.32Å; A191-D194 VanDerWaalsContact O-N 3.1Å; D194-N196 VanDerWaalsContact C-N 3.27Å; D194-N196 PolarHBondContact O-N 3.33Å; D194-N196 WeakPolarHBondContact OD1-CB 3.49Å; D194-N196 PolarHBondContact OD1-N 2.95Å; D194-N196 PolarHBondContact OD1-ND2 3.41Å; D194-V198 HydrophobicContact CB-CG2 3.84Å
195	D	98.8	Very high	98.9	Very high	86 Å²	86	17.5 Å²	17.5	46%	0.46	9%	0.089	S	C	.	.	S	Bend	trans	-89.2	12	-179	-67.2	-38.5	0	0	0	114.3	R106 V141	R106-D195 IonicContact CZ-OD1 3.23Å; R106-D195 IonicContact NH1-OD1 2.71Å; R106-D195 PolarHBondContact NH1-OD1 3.37Å; R106-D195 IonicContact NH2-OD1 2.72Å; R106-D195 PolarHBondContact NH2-OD1 3.48Å; V141-D195 CarbonylContact C-O 3.6Å; V141-D195 PolarHBondContact N-O 2.65Å
196	N	98.8	Very high	98.9	Very high	45 Å²	45	17.8 Å²	17.8	24%	0.241	9%	0.09	C	C	.	.	S	Bend	trans	-125	162.3	-178.9	-52.5	-98.2	0	0	0	110.2	V141 K174 D194 V198	V141-N196 CarbonylContact O-C 3.3Å; K174-N196 PolarHBondContact NZ-ND2 3.25Å; D194-N196 VanDerWaalsContact C-N 3.27Å; D194-N196 PolarHBondContact O-N 3.33Å; D194-N196 WeakPolarHBondContact OD1-CB 3.49Å; D194-N196 PolarHBondContact OD1-N 2.95Å; D194-N196 PolarHBondContact OD1-ND2 3.41Å; N196-V198 WeakPolarHBondContact O-CG2 3.45Å; N196-V198 PolarHBondContact O-N 3.41Å
197	P	98.9	Very high	98.9	Very high	5 Å²	5	17.8 Å²	17.8	3%	0.032	9%	0.09	C	C	.	.			trans	-65.9	121.6	177.1	-22.7	35.4	0	0	0	112.5	A128 V141 I143 F145 L173 K174	A128-P197 HydrophobicContact CB-CB 4.06Å; A128-P197 HydrophobicContact CB-CG 3.64Å; V141-P197 HydrophobicContact CB-CG 3.98Å; V141-P197 HydrophobicContact CG1-CG 4.26Å; V141-P197 WeakPolarHBondContact O-CD 3.15Å; I143-P197 HydrophobicContact CG2-CB 3.74Å; I143-P197 HydrophobicContact CG2-CG 3.98Å; I143-P197 WeakPolarHBondContact O-CA 3.38Å; F145-P197 HydrophobicContact CE2-CB 4.49Å; L173-P197 HydrophobicContact CD2-CB 3.8Å; K174-P197 PolarHBondContact N-O 3.06Å
198	V	99	Very high	98.8	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.8	176.3	-167.8	0	0	0	0	110.2	I143 V144 F145 K174 V176 A191 D194 N196 I226	I143-V198 PolarHBondContact O-N 2.71Å; V144-V198 WeakPolarHBondContact CA-O 3.4Å; F145-V198 PolarHBondContact N-O 3.23Å; K174-V198 HydrophobicContact CB-CG1 4.21Å; K174-V198 HydrophobicContact CB-CG2 4.21Å; K174-V198 HydrophobicContact CD-CG2 4.47Å; K174-V198 WeakPolarHBondContact O-CA 3.29Å; V176-V198 HydrophobicContact CG2-CG1 4.33Å; A191-V198 HydrophobicContact CB-CB 3.94Å; A191-V198 HydrophobicContact CB-CG1 3.72Å; A191-V198 HydrophobicContact CB-CG2 4.19Å; D194-V198 HydrophobicContact CB-CG2 3.84Å; N196-V198 WeakPolarHBondContact O-CG2 3.45Å; N196-V198 PolarHBondContact O-N 3.41Å; V198-I226 HydrophobicContact CG1-CD1 4.23Å; V198-I226 HydrophobicContact CG2-CD1 4.39Å
199	V	99	Very high	98.8	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	125.6	171	-176.4	0	0	0	0	109.2	F114 V124 Y167 L173 K174 V175 V176 L201	F114-V199 HydrophobicContact CE1-CG1 3.55Å; F114-V199 HydrophobicContact CZ-CG1 3.68Å; V124-V199 HydrophobicContact CG1-CG2 3.98Å; Y167-V199 HydrophobicContact CD1-CG2 4Å; Y167-V199 HydrophobicContact CD2-CG1 3.9Å; Y167-V199 HydrophobicContact CE2-CG1 4.38Å; Y167-V199 HydrophobicContact CG-CB 4.46Å; Y167-V199 HydrophobicContact CG-CG1 3.99Å; Y167-V199 HydrophobicContact CG-CG2 4.15Å; L173-V199 HydrophobicContact CD1-CG2 3.87Å; L173-V199 HydrophobicContact CD2-CG2 4.21Å; K174-V199 PolarHBondContact O-N 3.25Å; V175-V199 WeakPolarHBondContact CA-O 3.41Å; V175-V199 HydrophobicContact CG1-CB 4.37Å; V175-V199 HydrophobicContact CG2-CB 4.26Å; V176-V199 PolarHBondContact N-O 2.97Å; V199-L201 HydrophobicContact CG1-CD2 3.71Å; V199-L201 HydrophobicContact CG1-CG 4.07Å
200	F	98.9	Very high	98.8	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	92.8	-168.1	-164.9	-86.5	0	0	0	110.3	L40 F114 V144 F145 R146 V176 P178 L187 L188 A191 E202	L40-F200 HydrophobicContact CD2-CE1 3.59Å; L40-F200 HydrophobicContact CD2-CZ 4.04Å; F114-F200 WeakPolarHBondContact CE2-O 3.37Å; V144-F200 HydrophobicContact CG1-CB 4.11Å; F145-F200 PolarHBondContact O-N 2.77Å; R146-F200 HydrophobicContact CB-CB 3.86Å; R146-F200 HydrophobicContact CB-CD1 4.14Å; R146-F200 HydrophobicContact CB-CG 4.36Å; V176-F200 HydrophobicContact CG2-CB 4.3Å; V176-F200 HydrophobicContact CG2-CD2 3.19Å; V176-F200 HydrophobicContact CG2-CE2 3.62Å; V176-F200 HydrophobicContact CG2-CG 3.99Å; P178-F200 HydrophobicContact CG-CE1 3.84Å; P178-F200 HydrophobicContact CG-CZ 3.77Å; L187-F200 HydrophobicContact CB-CE2 3.72Å; L187-F200 HydrophobicContact CB-CZ 4.31Å; L188-F200 VanDerWaalsContact CA-CE2 3.49Å; L188-F200 HydrophobicContact CB-CD2 4.48Å; L188-F200 HydrophobicContact CB-CE1 4.23Å; L188-F200 HydrophobicContact CB-CE2 3.77Å; L188-F200 HydrophobicContact CB-CZ 3.62Å; L188-F200 HydrophobicContact CD1-CD1 4.25Å; L188-F200 HydrophobicContact CD1-CD2 4.08Å; L188-F200 HydrophobicContact CD1-CE1 4.34Å; L188-F200 HydrophobicContact CD1-CE2 4.21Å; L188-F200 HydrophobicContact CD1-CG 4.15Å; L188-F200 HydrophobicContact CD1-CZ 4.34Å; L188-F200 HydrophobicContact CG-CZ 4.45Å; L188-F200 VanDerWaalsContact N-CE2 3.35Å; A191-F200 HydrophobicContact CB-CD2 4.26Å; F200-E202 HydrophobicContact CD1-CG 3.57Å; F200-E202 WeakPolarHBondContact CD1-OE1 3.37Å; F200-E202 HydrophobicContact CE1-CG 3.62Å; F200-E202 PolarHBondContact O-N 2.75Å
201	L	98.9	Very high	98.8	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	86.7	-168	-59.2	174.5	0	0	0	111.4	F114 N149 A164 Y167 V175 V176 S177 V199	F114-L201 HydrophobicContact CD1-CD2 3.77Å; F114-L201 HydrophobicContact CD2-CD2 3.79Å; F114-L201 HydrophobicContact CE1-CD2 3.75Å; F114-L201 HydrophobicContact CE2-CD2 3.74Å; F114-L201 HydrophobicContact CG-CD2 3.8Å; F114-L201 HydrophobicContact CZ-CD2 3.73Å; N149-L201 HydrophobicContact CB-CB 3.96Å; N149-L201 HydrophobicContact CB-CD2 3.96Å; A164-L201 VanDerWaalsContact CA-CD1 3.47Å; A164-L201 HydrophobicContact CB-CD1 3.91Å; Y167-L201 HydrophobicContact CD2-CD2 4.47Å; V175-L201 HydrophobicContact CG1-CD1 3.65Å; V175-L201 HydrophobicContact CG1-CG 4.26Å; V176-L201 WeakPolarHBondContact O-CB 3.27Å; V176-L201 PolarHBondContact O-N 2.71Å; S177-L201 WeakPolarHBondContact CA-O 3.36Å; S177-L201 PolarHBondContact OG-O 3.46Å; V199-L201 HydrophobicContact CG1-CD2 3.71Å; V199-L201 HydrophobicContact CG1-CG 4.07Å
202	E	98.9	Very high	98.7	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	177.8	177.9	-54.3	171.1	177.9	0	0	111.1	L40 R146 G147 N149 F200 Y207	L40-E202 HydrophobicContact CD1-CG 4.26Å; R146-E202 IonicContact CZ-OE1 3.93Å; R146-E202 IonicContact CZ-OE2 2.74Å; R146-E202 IonicContact NE-OE1 3.72Å; R146-E202 PolarHBondContact NE-OE1 3.49Å; R146-E202 IonicContact NE-OE2 3.39Å; R146-E202 IonicContact NH2-OE1 2.69Å; R146-E202 PolarHBondContact NH2-OE1 2.69Å; R146-E202 IonicContact NH2-OE2 2.66Å; R146-E202 PolarHBondContact NH2-OE2 2.92Å; G147-E202 VanDerWaalsContact O-CB 3.31Å; G147-E202 WeakPolarHBondContact O-CB 3.36Å; G147-E202 PolarHBondContact O-N 3.39Å; G147-E202 VanDerWaalsContact O-N 3.1Å; N149-E202 WeakPolarHBondContact CB-O 3.49Å; N149-E202 PolarHBondContact N-O 2.93Å; F200-E202 HydrophobicContact CD1-CG 3.57Å; F200-E202 WeakPolarHBondContact CD1-OE1 3.37Å; F200-E202 HydrophobicContact CE1-CG 3.62Å; F200-E202 PolarHBondContact O-N 2.75Å; E202-Y207 HydrophobicContact CB-CE1 3.99Å; E202-Y207 VanDerWaalsContact OE2-CE1 3.29Å; E202-Y207 WeakPolarHBondContact OE2-CE1 3.35Å; E202-Y207 PolarHBondContact OE2-OH 3.23Å
203	N	98.9	Very high	98.5	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.064	18%	0.183	C	C	.	.			trans	-137.7	131	169	-176.9	-106.4	0	0	0	111.2	N149 A151 L205 M206 S244 R245	N149-N203 PolarHBondContact O-ND2 3.21Å; A151-N203 PolarHBondContact O-ND2 3.18Å; N203-L205 PolarHBondContact O-N 3.24Å; N203-L205 PolarHBondContact OD1-N 2.93Å; N203-M206 HydrophobicContact CB-CG 4.13Å; N203-M206 WeakPolarHBondContact O-CB 3.42Å; N203-M206 PolarHBondContact O-N 3.45Å; N203-M206 VanDerWaalsContact O-N 3.09Å; N203-S244 WeakPolarHBondContact CB-OG 3.49Å; N203-R245 WeakPolarHBondContact OD1-CD 3.41Å
204	E	98.8	Very high	98.4	Very high	42 Å²	42	33 Å²	33	20%	0.196	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-60.6	-46.3	-171.7	-177.9	-77.7	137.2	0	0	112.2	Y68 P148 S152 M206 Y207	Y68-E204 HydrophobicContact CD1-CG 3.57Å; Y68-E204 HydrophobicContact CE1-CG 3.38Å; Y68-E204 HydrophobicContact CG-CG 4.46Å; P148-E204 HydrophobicContact CB-CB 3.89Å; S152-E204 WeakPolarHBondContact CB-OE2 3.38Å; S152-E204 PolarHBondContact OG-OE2 3.08Å; E204-M206 PolarHBondContact O-N 3.3Å; E204-M206 VanDerWaalsContact O-N 3.11Å; E204-Y207 HydrophobicContact CB-CD2 4.27Å; E204-Y207 HydrophobicContact CB-CE2 4.2Å; E204-Y207 HydrophobicContact CG-CD2 4.19Å; E204-Y207 HydrophobicContact CG-CE2 4.33Å; E204-Y207 VanDerWaalsContact O-CB 3.26Å; E204-Y207 WeakPolarHBondContact O-CB 3.44Å; E204-Y207 WeakPolarHBondContact O-CD2 3.39Å; E204-Y207 PolarHBondContact O-N 2.94Å
205	L	98.5	Very high	98.1	Very high	51 Å²	51	37 Å²	37	27%	0.267	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-66.7	-14.5	-179.9	-62.6	172.8	0	0	0	113.4	A153 N203 R245	A153-L205 HydrophobicContact CB-CD2 4.37Å; N203-L205 PolarHBondContact O-N 3.24Å; N203-L205 PolarHBondContact OD1-N 2.93Å; L205-R245 VanDerWaalsContact CD1-CZ 3.49Å; L205-R245 VanDerWaalsContact CD1-NH1 3.34Å
206	M	98.8	Very high	97.9	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.069	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-84.6	-23.8	171.9	-63.6	-51.5	-56.6	0	0	112.8	V36 W179 N203 E204 G208 V209 F211 R245	V36-M206 WeakPolarHBondContact CB-O 3.39Å; V36-M206 HydrophobicContact CG2-CB 4.3Å; V36-M206 VanDerWaalsContact CG2-O 3.29Å; V36-M206 WeakPolarHBondContact CG2-O 3.39Å; W179-M206 WeakPolarHBondContact O-CE 3.38Å; N203-M206 HydrophobicContact CB-CG 4.13Å; N203-M206 WeakPolarHBondContact O-CB 3.42Å; N203-M206 PolarHBondContact O-N 3.45Å; N203-M206 VanDerWaalsContact O-N 3.09Å; E204-M206 PolarHBondContact O-N 3.3Å; E204-M206 VanDerWaalsContact O-N 3.11Å; M206-G208 PolarHBondContact O-N 3Å; M206-G208 VanDerWaalsContact O-N 3.1Å; M206-V209 HydrophobicContact CE-CB 4.06Å; M206-V209 HydrophobicContact CE-CG1 4.2Å; M206-V209 HydrophobicContact CE-CG2 3.98Å; M206-V209 WeakPolarHBondContact O-CB 3.38Å; M206-V209 PolarHBondContact O-N 3.27Å; M206-V209 HydrophobicContact SD-CG2 4.37Å; M206-F211 HydrophobicContact CE-CE2 3.76Å; M206-F211 HydrophobicContact CE-CZ 3.66Å; M206-R245 HydrophobicContact CG-CB 3.99Å; M206-R245 HydrophobicContact CG-CG 4.42Å; M206-R245 HydrophobicContact SD-CB 3.88Å; M206-R245 HydrophobicContact SD-CG 3.77Å
207	Y	98.8	Very high	97.7	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-35.1	-175.4	-70.4	-34.2	0	0	0	114.1	T35 R37 L40 Y68 V70 P148 E202 E204	T35-Y207 PolarHBondContact OG1-O 3.33Å; R37-Y207 WeakPolarHBondContact CB-O 3.22Å; R37-Y207 PolarHBondContact N-O 3.11Å; R37-Y207 VanDerWaalsContact N-O 3.15Å; R37-Y207 PolarHBondContact NH1-O 2.97Å; R37-Y207 VanDerWaalsContact NH1-O 3.08Å; L40-Y207 HydrophobicContact CD1-CD1 4.01Å; L40-Y207 HydrophobicContact CD1-CE1 3.66Å; Y68-Y207 HydrophobicContact CD1-CD2 4.37Å; Y68-Y207 HydrophobicContact CD1-CE2 4.26Å; Y68-Y207 HydrophobicContact CD2-CE2 4.27Å; Y68-Y207 HydrophobicContact CG-CD2 4.17Å; Y68-Y207 AromaticContact CG-CE2 3.75Å; Y68-Y207 HydrophobicContact CG-CE2 3.75Å; V70-Y207 HydrophobicContact CG2-CD1 4.16Å; V70-Y207 HydrophobicContact CG2-CD2 4.45Å; V70-Y207 HydrophobicContact CG2-CE1 3.86Å; V70-Y207 HydrophobicContact CG2-CE2 4.17Å; V70-Y207 HydrophobicContact CG2-CG 4.46Å; P148-Y207 HydrophobicContact CB-CE2 4.1Å; P148-Y207 VanDerWaalsContact CD-OH 3.32Å; P148-Y207 WeakPolarHBondContact CD-OH 3.03Å; P148-Y207 HydrophobicContact CG-CE2 4.4Å; E202-Y207 HydrophobicContact CB-CE1 3.99Å; E202-Y207 VanDerWaalsContact OE2-CE1 3.29Å; E202-Y207 WeakPolarHBondContact OE2-CE1 3.35Å; E202-Y207 PolarHBondContact OE2-OH 3.23Å; E204-Y207 HydrophobicContact CB-CD2 4.27Å; E204-Y207 HydrophobicContact CB-CE2 4.2Å; E204-Y207 HydrophobicContact CG-CD2 4.19Å; E204-Y207 HydrophobicContact CG-CE2 4.33Å; E204-Y207 VanDerWaalsContact O-CB 3.26Å; E204-Y207 WeakPolarHBondContact O-CB 3.44Å; E204-Y207 WeakPolarHBondContact O-CD2 3.39Å; E204-Y207 PolarHBondContact O-N 2.94Å
208	G	98.5	Very high	97.4	Very high	48 Å²	48	40.3 Å²	40.3	50%	0.495	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-6.2	178.8	0	0	0	0	0	115.4	M206 P210	M206-G208 PolarHBondContact O-N 3Å; M206-G208 VanDerWaalsContact O-N 3.1Å; G208-P210 WeakPolarHBondContact O-CD 3.31Å
209	V	98.6	Very high	97.2	Very high	50 Å²	50	42.6 Å²	42.6	30%	0.303	24%	0.238	S	C	.	.			trans	-85.3	121.9	-172.6	-176	0	0	0	0	110	T35 V36 M206 F211	T35-V209 VanDerWaalsContact CA-O 3.29Å; T35-V209 WeakPolarHBondContact CA-O 3.49Å; V36-V209 PolarHBondContact N-O 3.32Å; M206-V209 HydrophobicContact CE-CB 4.06Å; M206-V209 HydrophobicContact CE-CG1 4.2Å; M206-V209 HydrophobicContact CE-CG2 3.98Å; M206-V209 WeakPolarHBondContact O-CB 3.38Å; M206-V209 PolarHBondContact O-N 3.27Å; M206-V209 HydrophobicContact SD-CG2 4.37Å; V209-F211 HydrophobicContact CB-CE2 3.96Å; V209-F211 HydrophobicContact CG1-CD2 4.13Å; V209-F211 HydrophobicContact CG1-CE2 3.51Å; V209-F211 HydrophobicContact CG1-CZ 3.84Å
210	P	98.3	Very high	97.1	Very high	74 Å²	74	47.2 Å²	47.2	48%	0.481	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	144	172.5	33.9	-34.3	0	0	0	111.2	T35 G208	T35-P210 HydrophobicContact CG2-CB 4.37Å; G208-P210 WeakPolarHBondContact O-CD 3.31Å
211	F	98.4	Very high	96.9	Very high	41 Å²	41	52.9 Å²	52.9	18%	0.18	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	151.3	170.4	-69.1	-92.1	0	0	0	110.2	Q33 V34 V36 W179 N180 M206 V209	Q33-F211 WeakPolarHBondContact CA-O 3.46Å; Q33-F211 VanDerWaalsContact OE1-C 3.24Å; Q33-F211 PolarHBondContact OE1-O 3.01Å; V34-F211 PolarHBondContact N-O 3.36Å; V34-F211 PolarHBondContact O-N 3.06Å; V36-F211 HydrophobicContact CG2-CD2 3.92Å; V36-F211 HydrophobicContact CG2-CE2 3.73Å; W179-F211 HydrophobicContact CH2-CE1 4.05Å; W179-F211 AromaticContact CZ2-CE1 3.76Å; W179-F211 HydrophobicContact CZ2-CE1 3.76Å; W179-F211 HydrophobicContact CZ2-CZ 4.07Å; N180-F211 HydrophobicContact CB-CD1 3.74Å; N180-F211 HydrophobicContact CB-CD2 3.92Å; N180-F211 HydrophobicContact CB-CE1 3.61Å; N180-F211 HydrophobicContact CB-CE2 3.8Å; N180-F211 HydrophobicContact CB-CG 3.89Å; N180-F211 HydrophobicContact CB-CZ 3.63Å; M206-F211 HydrophobicContact CE-CE2 3.76Å; M206-F211 HydrophobicContact CE-CZ 3.66Å; V209-F211 HydrophobicContact CB-CE2 3.96Å; V209-F211 HydrophobicContact CG1-CD2 4.13Å; V209-F211 HydrophobicContact CG1-CE2 3.51Å; V209-F211 HydrophobicContact CG1-CZ 3.84Å
212	E	97.1	Very high	96.9	Very high	134 Å²	134	54.1 Å²	54.1	63%	0.626	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	128.9	170.8	-65.6	-171.4	170.3	0	0	110.5	A31 Q33	A31-E212 HydrophobicContact CB-CB 3.93Å; A31-E212 HydrophobicContact CB-CG 4.09Å; Q33-E212 PolarHBondContact NE2-OE1 3Å
213	M	95.8	Very high	96.9	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	138.3	173.7	-65.9	-76.8	-79	0	0	109.9	V32 V34 E182 R185 S217 Q218	V32-M213 PolarHBondContact O-N 2.93Å; V34-M213 HydrophobicContact CB-CG 3.83Å; V34-M213 HydrophobicContact CG2-CB 4.31Å; V34-M213 HydrophobicContact CG2-CG 3.74Å; E182-M213 HydrophobicContact CB-SD 4.24Å; R185-M213 HydrophobicContact CB-CE 4.41Å; M213-S217 VanDerWaalsContact CE-O 3.22Å; M213-S217 WeakPolarHBondContact CE-O 3.49Å; M213-S217 WeakPolarHBondContact CE-OG 3.46Å; M213-S217 PolarHBondContact SD-OG 3.02Å; M213-Q218 HydrophobicContact CB-CG 3.89Å; M213-Q218 PolarHBondContact O-NE2 2.89Å
214	S	94.9	Very high	96.8	Very high	56 Å²	56	56.5 Å²	56.5	39%	0.392	31%	0.309	S	S	.	.			trans	-78.5	166.9	173.6	68	0	0	0	0	110.8	E216 S217 Q218	S214-E216 PolarHBondContact O-N 2.93Å; S214-E216 PolarHBondContact OG-N 3.09Å; S214-S217 PolarHBondContact N-OG 3.02Å; S214-S217 PolarHBondContact O-N 2.8Å; S214-S217 PolarHBondContact O-OG 2.86Å; S214-S217 PolarHBondContact OG-N 2.97Å; S214-S217 PolarHBondContact OG-OG 2.8Å; S214-Q218 WeakPolarHBondContact O-CB 3.47Å; S214-Q218 VanDerWaalsContact O-CG 3.25Å; S214-Q218 WeakPolarHBondContact O-CG 3.49Å; S214-Q218 PolarHBondContact O-N 2.89Å; S214-Q218 PolarHBondContact O-NE2 2.85Å
215	D	93.5	Very high	96.8	Very high	113 Å²	113	58.5 Å²	58.5	60%	0.604	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-28.1	172.9	-63.5	-24.8	0	0	0	111.6
216	E	94.1	Very high	96.9	Very high	145 Å²	145	57.8 Å²	57.8	68%	0.678	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-50.7	174.2	-177.1	179.5	-176.9	0	0	111.8	S214 Q218 S219 F222	S214-E216 PolarHBondContact O-N 2.93Å; S214-E216 PolarHBondContact OG-N 3.09Å; E216-Q218 PolarHBondContact O-N 3.5Å; E216-S219 VanDerWaalsContact O-CB 3.27Å; E216-S219 WeakPolarHBondContact O-CB 3.25Å; E216-S219 PolarHBondContact O-N 3.37Å; E216-F222 HydrophobicContact CG-CD2 4.25Å; E216-F222 HydrophobicContact CG-CE2 4.5Å
217	S	94	Very high	96.8	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.007	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.4	179.3	69.8	0	0	0	0	113.4	M213 S214	M213-S217 VanDerWaalsContact CE-O 3.22Å; M213-S217 WeakPolarHBondContact CE-O 3.49Å; M213-S217 WeakPolarHBondContact CE-OG 3.46Å; M213-S217 PolarHBondContact SD-OG 3.02Å; S214-S217 PolarHBondContact N-OG 3.02Å; S214-S217 PolarHBondContact O-N 2.8Å; S214-S217 PolarHBondContact O-OG 2.86Å; S214-S217 PolarHBondContact OG-N 2.97Å; S214-S217 PolarHBondContact OG-OG 2.8Å
218	Q	93.1	Very high	96.8	Very high	59 Å²	59	61.7 Å²	61.7	28%	0.276	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-5.9	169.4	-75	175.4	90.5	0	0	114.8	V32 R185 M213 S214 E216	V32-Q218 VanDerWaalsContact CG2-OE1 3.23Å; R185-Q218 VanDerWaalsContact NH2-C 3.28Å; R185-Q218 PolarHBondContact NH2-O 3.21Å; M213-Q218 HydrophobicContact CB-CG 3.89Å; M213-Q218 PolarHBondContact O-NE2 2.89Å; S214-Q218 WeakPolarHBondContact O-CB 3.47Å; S214-Q218 VanDerWaalsContact O-CG 3.25Å; S214-Q218 WeakPolarHBondContact O-CG 3.49Å; S214-Q218 PolarHBondContact O-N 2.89Å; S214-Q218 PolarHBondContact O-NE2 2.85Å; E216-Q218 PolarHBondContact O-N 3.5Å
219	S	95.7	Very high	96.9	Very high	47 Å²	47	60.2 Å²	60.2	33%	0.329	33%	0.325	S	S	.	.	S	Bend	trans	-73.4	142.3	-179.3	-178.7	0	0	0	0	113.7	R185 E216 D221 F222	R185-S219 PolarHBondContact NH2-O 2.65Å; E216-S219 VanDerWaalsContact O-CB 3.27Å; E216-S219 WeakPolarHBondContact O-CB 3.25Å; E216-S219 PolarHBondContact O-N 3.37Å; S219-D221 PolarHBondContact O-N 3.44Å; S219-D221 VanDerWaalsContact O-N 3.17Å; S219-D221 PolarHBondContact OG-N 3.22Å; S219-F222 VanDerWaalsContact O-CB 3.26Å; S219-F222 WeakPolarHBondContact O-CB 3.46Å; S219-F222 PolarHBondContact O-N 2.86Å; S219-F222 VanDerWaalsContact O-N 3.07Å
220	K	95.6	Very high	96.9	Very high	98 Å²	98	60.3 Å²	60.3	43%	0.426	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21	170.4	-67.2	-150.7	176.7	-167.6	0	113.1	E46 E49 K189 R193	E46-K220 HydrophobicContact CG-CD 4.13Å; E46-K220 HydrophobicContact CG-CG 4.09Å; E49-K220 IonicContact OE1-NZ 3.06Å; E49-K220 PolarHBondContact OE1-NZ 3.11Å; E49-K220 IonicContact OE2-NZ 3.86Å; E49-K220 PolarHBondContact OE2-NZ 2.92Å; K189-K220 WeakPolarHBondContact CE-O 3.35Å; K189-K220 PolarHBondContact NZ-O 3.33Å; R193-K220 PolarHBondContact NH2-O 2.75Å
221	D	95.8	Very high	96.9	Very high	118 Å²	118	59 Å²	59	63%	0.631	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-8	178.1	-68.3	-51.7	0	0	0	113.6	S219 T223	S219-D221 PolarHBondContact O-N 3.44Å; S219-D221 VanDerWaalsContact O-N 3.17Å; S219-D221 PolarHBondContact OG-N 3.22Å; D221-T223 PolarHBondContact O-N 3.44Å
222	F	98.2	Very high	96.9	Very high	27 Å²	27	59.1 Å²	59.1	12%	0.118	31%	0.313	C	S	.	.			trans	-59.9	126.6	-177.5	-176.5	-112	0	0	0	112.5	E182 K189 E216 S219 I224	E182-F222 HydrophobicContact CG-CE1 4.02Å; E182-F222 HydrophobicContact CG-CZ 3.71Å; K189-F222 VanDerWaalsContact CD-O 3.31Å; K189-F222 WeakPolarHBondContact CD-O 3.44Å; K189-F222 WeakPolarHBondContact CE-O 3.48Å; E216-F222 HydrophobicContact CG-CD2 4.25Å; E216-F222 HydrophobicContact CG-CE2 4.5Å; S219-F222 VanDerWaalsContact O-CB 3.26Å; S219-F222 WeakPolarHBondContact O-CB 3.46Å; S219-F222 PolarHBondContact O-N 2.86Å; S219-F222 VanDerWaalsContact O-N 3.07Å; F222-I224 HydrophobicContact CE1-CD1 4.13Å; F222-I224 HydrophobicContact CE1-CG1 4.1Å; F222-I224 HydrophobicContact CZ-CD1 4.1Å; F222-I224 HydrophobicContact CZ-CG1 3.83Å
223	T	98.6	Very high	97	Very high	59 Å²	59	55.6 Å²	55.6	36%	0.362	29%	0.294	S	S	.	.			trans	-145.2	140.8	174.4	51.8	0	0	0	0	110	G186 K189 R193 D221	G186-T223 WeakPolarHBondContact O-CA 3.34Å; K189-T223 HydrophobicContact CB-CG2 3.96Å; R193-T223 VanDerWaalsContact NH1-CG2 3.33Å; D221-T223 PolarHBondContact O-N 3.44Å
224	I	98.6	Very high	97.1	Very high	6 Å²	6	61.4 Å²	61.4	3%	0.031	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-97.2	130.4	171.6	-67.8	161.5	0	0	0	108.2	E182 G186 L187 A190 F222 I226	E182-I224 HydrophobicContact CG-CD1 4.46Å; E182-I224 VanDerWaalsContact O-CD1 3.26Å; E182-I224 WeakPolarHBondContact O-CD1 3.49Å; G186-I224 PolarHBondContact O-N 3.15Å; L187-I224 HydrophobicContact CD2-CB 3.84Å; L187-I224 HydrophobicContact CD2-CG2 3.55Å; L187-I224 HydrophobicContact CG-CB 4.07Å; L187-I224 HydrophobicContact CG-CD1 4.31Å; L187-I224 HydrophobicContact CG-CG2 4.09Å; A190-I224 VanDerWaalsContact CB-O 3.22Å; A190-I224 WeakPolarHBondContact CB-O 3.49Å; F222-I224 HydrophobicContact CE1-CD1 4.13Å; F222-I224 HydrophobicContact CE1-CG1 4.1Å; F222-I224 HydrophobicContact CZ-CD1 4.1Å; F222-I224 HydrophobicContact CZ-CG1 3.83Å; I224-I226 PolarHBondContact O-N 2.98Å
225	P	98.6	Very high	97.3	Very high	84 Å²	84	59 Å²	59	55%	0.545	31%	0.306	S	S	.	.	P	Polyproline II helix	trans	-64.1	122.2	177.5	24	-32	0	0	0	111.3	G227 K228	P225-G227 PolarHBondContact O-N 2.93Å; P225-K228 HydrophobicContact CG-CB 4.21Å; P225-K228 HydrophobicContact CG-CG 4.4Å; P225-K228 PolarHBondContact O-N 2.78Å
226	I	98.9	Very high	97.6	Very high	36 Å²	36	56.4 Å²	56.4	19%	0.185	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	131	170.3	-60.1	176.8	0	0	0	108.1	K174 V176 A190 V198 I224 T271	K174-I226 HydrophobicContact CB-CG2 4.28Å; K174-I226 HydrophobicContact CD-CG2 4.39Å; K174-I226 HydrophobicContact CG-CG2 4.41Å; V176-I226 HydrophobicContact CG1-CG1 4.2Å; V176-I226 HydrophobicContact CG1-CG2 3.98Å; A190-I226 HydrophobicContact CB-CD1 4.35Å; A190-I226 HydrophobicContact CB-CG1 4.15Å; V198-I226 HydrophobicContact CG1-CD1 4.23Å; V198-I226 HydrophobicContact CG2-CD1 4.39Å; I224-I226 PolarHBondContact O-N 2.98Å; I226-T271 HydrophobicContact CG2-CG2 3.7Å
227	G	98.6	Very high	97.8	Very high	13 Å²	13	53.4 Å²	53.4	13%	0.134	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.1	12.2	-174.5	0	0	0	0	0	114.9	P225 T271 P274 D276	P225-G227 PolarHBondContact O-N 2.93Å; G227-T271 PolarHBondContact N-OG1 2.7Å; G227-P274 WeakPolarHBondContact CA-O 3.34Å; G227-D276 WeakPolarHBondContact O-CB 3.29Å
228	K	98.8	Very high	98	Very high	84 Å²	84	53.4 Å²	53.4	37%	0.365	28%	0.282	S	S	.	.			trans	-128	133.1	170.9	-68.5	-66.6	164.9	-166.2	0	113.8	P225 D276 E278	P225-K228 HydrophobicContact CG-CB 4.21Å; P225-K228 HydrophobicContact CG-CG 4.4Å; P225-K228 PolarHBondContact O-N 2.78Å; K228-D276 WeakPolarHBondContact CA-OD2 3.42Å; K228-D276 VanDerWaalsContact CD-OD2 3.3Å; K228-D276 WeakPolarHBondContact CD-OD2 3.38Å; K228-D276 IonicContact NZ-OD1 3.98Å; K228-D276 PolarHBondContact NZ-OD1 2.88Å; K228-D276 IonicContact NZ-OD2 2.68Å; K228-E278 IonicContact NZ-OE2 3.82Å; K228-E278 PolarHBondContact NZ-OE2 3.08Å
229	A	98.8	Very high	98.3	Very high	17 Å²	17	50.6 Å²	50.6	14%	0.14	27%	0.268	C	S	.	.			trans	-85.3	173.8	177.3	0	0	0	0	0	111.4	I267 N268 L269 D276 C279	A229-I267 HydrophobicContact CB-CG2 3.87Å; A229-N268 CarbonylContact C-O 3.57Å; A229-N268 WeakPolarHBondContact CA-O 3.43Å; A229-N268 WeakPolarHBondContact CB-O 3.42Å; A229-L269 WeakPolarHBondContact CA-O 3.44Å; A229-D276 HydrophobicContact CB-CB 3.89Å; A229-D276 PolarHBondContact N-OD2 2.7Å; A229-C279 HydrophobicContact CB-CB 4.22Å
230	K	98.9	Very high	98.4	Very high	51 Å²	51	48.3 Å²	48.3	22%	0.222	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	130.7	173.9	-179.9	172.2	173.7	-165.7	0	110	E182 E232 I267 N268 R270	E182-K230 IonicContact OE1-NZ 2.64Å; E182-K230 PolarHBondContact OE1-NZ 2.84Å; E182-K230 IonicContact OE2-NZ 2.92Å; E182-K230 PolarHBondContact OE2-NZ 3.44Å; K230-E232 WeakPolarHBondContact CD-OE1 3.37Å; K230-E232 WeakPolarHBondContact CD-OE2 3.2Å; K230-E232 WeakPolarHBondContact CE-OE2 3.5Å; K230-E232 HydrophobicContact CG-CG 4.5Å; K230-E232 IonicContact NZ-OE2 2.69Å; K230-E232 PolarHBondContact NZ-OE2 2.99Å; K230-E232 PolarHBondContact O-N 2.72Å; K230-I267 WeakPolarHBondContact O-CA 3.44Å; K230-N268 PolarHBondContact N-O 2.82Å; K230-N268 PolarHBondContact O-N 2.97Å; K230-R270 VanDerWaalsContact CD-CZ 3.5Å
231	V	98.9	Very high	98.6	Very high	47 Å²	47	43.7 Å²	43.7	29%	0.285	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	100.6	166.5	-174.8	0	0	0	0	107.6	R233 E265 V266 I267	V231-R233 VanDerWaalsContact C-N 3.32Å; V231-R233 VanDerWaalsContact CG1-O 3.23Å; V231-R233 WeakPolarHBondContact CG1-O 3.16Å; V231-E265 HydrophobicContact CG1-CG 3.8Å; V231-V266 CarbonylContact C-O 3.58Å; V231-V266 WeakPolarHBondContact CA-O 3.38Å; V231-I267 HydrophobicContact CG2-CG1 4.37Å
232	E	98.8	Very high	98.8	Very high	44 Å²	44	38.1 Å²	38.1	21%	0.206	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	-24.2	-179.2	-57.1	-69.4	-173.2	0	0	111.7	W179 N180 K230 V247 L251 V266 N268	W179-E232 HydrophobicContact CE3-CG 4.38Å; W179-E232 HydrophobicContact CZ3-CG 4.03Å; N180-E232 PolarHBondContact ND2-OE1 3.03Å; K230-E232 WeakPolarHBondContact CD-OE1 3.37Å; K230-E232 WeakPolarHBondContact CD-OE2 3.2Å; K230-E232 WeakPolarHBondContact CE-OE2 3.5Å; K230-E232 HydrophobicContact CG-CG 4.5Å; K230-E232 IonicContact NZ-OE2 2.69Å; K230-E232 PolarHBondContact NZ-OE2 2.99Å; K230-E232 PolarHBondContact O-N 2.72Å; E232-V247 HydrophobicContact CG-CG1 4.06Å; E232-L251 HydrophobicContact CB-CD1 4.31Å; E232-L251 HydrophobicContact CB-CD2 4.17Å; E232-V266 PolarHBondContact N-O 2.71Å; E232-N268 HydrophobicContact CG-CB 3.58Å; E232-N268 WeakPolarHBondContact OE1-CB 3.42Å; E232-N268 PolarHBondContact OE1-ND2 3.37Å
233	R	98.8	Very high	98.8	Very high	59 Å²	59	37.1 Å²	37.1	22%	0.223	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	124.4	175.1	-172.3	-169.1	-175.7	-68.6	-6.5	109.4	V231 L251 D263 C264 E265 V266	V231-R233 VanDerWaalsContact C-N 3.32Å; V231-R233 VanDerWaalsContact CG1-O 3.23Å; V231-R233 WeakPolarHBondContact CG1-O 3.16Å; R233-L251 HydrophobicContact CB-CD2 3.65Å; R233-D263 IonicContact CZ-OD1 3.46Å; R233-D263 IonicContact NH1-OD1 3.36Å; R233-D263 PolarHBondContact NH1-OD1 2.89Å; R233-D263 IonicContact NH1-OD2 2.71Å; R233-D263 IonicContact NH2-OD1 3.83Å; R233-D263 PolarHBondContact NH2-OD1 3.24Å; R233-C264 PolarHBondContact NH1-O 3.38Å; R233-E265 CarbonylContact O-C 3.51Å; R233-E265 WeakPolarHBondContact O-CA 3.3Å; R233-V266 HydrophobicContact CB-CB 4.01Å; R233-V266 HydrophobicContact CB-CG2 4.05Å; R233-V266 PolarHBondContact N-O 2.98Å; R233-V266 PolarHBondContact O-N 3.34Å
234	Q	98.8	Very high	98.8	Very high	126 Å²	126	34.6 Å²	34.6	59%	0.589	18%	0.183	S	C	*	.			trans	-68.5	148.7	171.2	-72.9	-69.9	-51.8	0	0	110.9	E265	Q234-E265 VanDerWaalsContact CA-OE2 3.28Å; Q234-E265 WeakPolarHBondContact CA-OE2 3.2Å; Q234-E265 PolarHBondContact OE1-OE2 3.26Å
235	G	98.6	Very high	98.8	Very high	6 Å²	6	37.4 Å²	37.4	6%	0.062	19%	0.194	C	C	.	.			trans	-160.1	-178.5	170.2	0	0	0	0	0	114.6	D263 E265 K286	G235-D263 WeakPolarHBondContact CA-OD2 3.28Å; G235-E265 PolarHBondContact N-OE2 2.9Å; G235-K286 VanDerWaalsContact O-CE 3.29Å; G235-K286 WeakPolarHBondContact O-CE 3.42Å; G235-K286 PolarHBondContact O-NZ 2.83Å
236	S	98.6	Very high	98.8	Very high	58 Å²	58	34.2 Å²	34.2	41%	0.406	17%	0.171	S	C	.	.	S	Bend	trans	-137.5	-11.8	-173.9	68.7	0	0	0	0	116.1	D263	S236-D263 PolarHBondContact N-O 3.39Å; S236-D263 VanDerWaalsContact N-O 3.11Å
237	H	98.8	Very high	98.8	Very high	82 Å²	82	32.5 Å²	32.5	38%	0.38	16%	0.162	S	C	.	.	S	Bend	trans	-105.9	-31.5	-173.8	-60	87.6	0	0	0	113.8	V262 D263 T287 H289 L358	H237-V262 HydrophobicContact CB-CG1 4.46Å; H237-D263 PolarHBondContact N-O 2.98Å; H237-D263 VanDerWaalsContact ND1-CB 3.33Å; H237-D263 WeakPolarHBondContact ND1-CB 3.38Å; H237-D263 PolarHBondContact ND1-N 3.32Å; H237-D263 VanDerWaalsContact ND1-N 3.12Å; H237-D263 PolarHBondContact ND1-O 3.32Å; H237-T287 VanDerWaalsContact O-O 3.05Å; H237-H289 PolarHBondContact O-ND1 3.5Å; H237-L358 HydrophobicContact CB-CD1 4.47Å; H237-L358 WeakPolarHBondContact O-CD2 3.46Å
238	V	98.9	Very high	98.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	143.6	179.8	61.7	0	0	0	0	110.2	L240 C264 E265 H289 V291 V354 L358	V238-L240 HydrophobicContact CG2-CD2 4.46Å; V238-C264 HydrophobicContact CG1-CB 3.91Å; V238-C264 WeakPolarHBondContact CG1-SG 3.31Å; V238-C264 CarbonylContact O-C 3.57Å; V238-C264 WeakPolarHBondContact O-CA 3.34Å; V238-E265 PolarHBondContact O-N 2.79Å; V238-H289 HydrophobicContact CB-CB 4.14Å; V238-H289 HydrophobicContact CG2-CB 3.92Å; V238-V291 HydrophobicContact CG2-CG2 4.01Å; V238-V354 HydrophobicContact CG1-CG1 3.87Å; V238-V354 HydrophobicContact CG1-CG2 4.29Å; V238-L358 HydrophobicContact CB-CD1 4.39Å; V238-L358 HydrophobicContact CB-CD2 4.42Å; V238-L358 HydrophobicContact CG1-CD1 4.37Å
239	T	98.9	Very high	98.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126	170.6	-56.3	0	0	0	0	110.1	V241 I267 S283 T287 H289 L290 V291	T239-V241 HydrophobicContact CG2-CG2 3.91Å; T239-I267 HydrophobicContact CG2-CD1 3.64Å; T239-I267 HydrophobicContact CG2-CG1 4.1Å; T239-S283 VanDerWaalsContact CG2-OG 3.27Å; T239-S283 WeakPolarHBondContact CG2-OG 3.44Å; T239-S283 PolarHBondContact OG1-OG 2.9Å; T239-T287 PolarHBondContact N-OG1 3.39Å; T239-T287 WeakPolarHBondContact OG1-CG2 3.48Å; T239-T287 PolarHBondContact OG1-OG1 2.76Å; T239-H289 PolarHBondContact N-O 2.94Å; T239-L290 HydrophobicContact CG2-CD1 3.91Å; T239-L290 WeakPolarHBondContact O-CA 3.36Å; T239-V291 PolarHBondContact O-N 2.97Å
240	L	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	120.3	169.8	-58.1	-173.6	0	0	0	108.9	V238 C250 C264 E265 V266 I267 V291 I350 V354	V238-L240 HydrophobicContact CG2-CD2 4.46Å; L240-C250 HydrophobicContact CB-CB 4.25Å; L240-C250 HydrophobicContact CD1-CB 4Å; L240-C264 HydrophobicContact CD1-CB 4.09Å; L240-C264 HydrophobicContact CG-CB 4.27Å; L240-E265 PolarHBondContact N-O 2.91Å; L240-V266 HydrophobicContact CB-CG2 4.32Å; L240-V266 HydrophobicContact CD1-CG2 4.19Å; L240-I267 PolarHBondContact O-N 3.28Å; L240-V291 WeakPolarHBondContact CA-O 3.33Å; L240-V291 HydrophobicContact CD2-CB 3.73Å; L240-V291 HydrophobicContact CD2-CG1 4.5Å; L240-V291 HydrophobicContact CD2-CG2 4.07Å; L240-I350 HydrophobicContact CD1-CG2 4.22Å; L240-V354 HydrophobicContact CD2-CG2 3.6Å
241	V	98.9	Very high	98.8	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	126.9	177.8	-177.7	0	0	0	0	110.1	T239 I267 L269 I280 L290 V291 T292 V293 I306	T239-V241 HydrophobicContact CG2-CG2 3.91Å; V241-I267 HydrophobicContact CG2-CB 4.26Å; V241-I267 HydrophobicContact CG2-CD1 4.31Å; V241-L269 HydrophobicContact CG1-CD1 4.01Å; V241-L269 HydrophobicContact CG1-CD2 3.44Å; V241-L269 VanDerWaalsContact CG1-CD2 3.44Å; V241-L269 HydrophobicContact CG1-CG 3.6Å; V241-I280 HydrophobicContact CG1-CD1 4.13Å; V241-I280 HydrophobicContact CG1-CG1 4.45Å; V241-I280 HydrophobicContact CG2-CG1 4.26Å; V241-I280 HydrophobicContact CG2-CG2 3.81Å; V241-L290 HydrophobicContact CB-CD1 4.5Å; V241-L290 HydrophobicContact CG2-CD1 3.59Å; V241-V291 PolarHBondContact N-O 3.37Å; V241-T292 CarbonylContact O-C 3.49Å; V241-T292 WeakPolarHBondContact O-CA 3.32Å; V241-V293 PolarHBondContact O-N 3.43Å; V241-I306 HydrophobicContact CG1-CD1 3.84Å
242	S	98.9	Very high	98.8	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	172.2	179.3	-163	0	0	0	0	112.9	F246 V247 I267 L269 V293	S242-F246 VanDerWaalsContact OG-C 3.31Å; S242-F246 VanDerWaalsContact OG-CB 3.29Å; S242-F246 WeakPolarHBondContact OG-CB 3.49Å; S242-V247 PolarHBondContact OG-N 3.04Å; S242-I267 PolarHBondContact N-O 3.1Å; S242-L269 WeakPolarHBondContact O-CG 3.32Å; S242-L269 PolarHBondContact O-N 3.27Å; S242-V293 WeakPolarHBondContact CA-O 3.16Å; S242-V293 VanDerWaalsContact CB-O 3.31Å; S242-V293 WeakPolarHBondContact CB-O 3.27Å; S242-V293 PolarHBondContact OG-O 3.35Å
243	H	98.9	Very high	98.8	Very high	5 Å²	5	28.6 Å²	28.6	2%	0.023	14%	0.144	C	C	.	.			trans	-138.4	158.5	172.3	73.1	103.1	0	0	0	110.7	S177 L269 I272	S177-H243 WeakPolarHBondContact CB-ND1 3.32Å; S177-H243 PolarHBondContact OG-ND1 2.91Å; S177-H243 VanDerWaalsContact OG-ND1 3.09Å; H243-L269 HydrophobicContact CB-CB 4.21Å; H243-L269 HydrophobicContact CB-CD1 4.27Å; H243-I272 HydrophobicContact CB-CD1 3.7Å
244	S	98.8	Very high	98.8	Very high	6 Å²	6	25.8 Å²	25.8	4%	0.042	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	-150.1	-179.3	-160.2	0	0	0	0	113.3	S177 P178 W179 N203 F246 V247	S177-S244 PolarHBondContact O-N 3.48Å; P178-S244 WeakPolarHBondContact O-CA 3.44Å; P178-S244 PolarHBondContact O-OG 3.01Å; W179-S244 WeakPolarHBondContact CB-O 3.27Å; N203-S244 WeakPolarHBondContact CB-OG 3.49Å; S244-F246 PolarHBondContact O-N 2.85Å; S244-V247 WeakPolarHBondContact O-CB 3.49Å; S244-V247 WeakPolarHBondContact O-CG2 3.34Å; S244-V247 PolarHBondContact O-N 3.5Å
245	R	98.7	Very high	98.8	Very high	65 Å²	65	22.2 Å²	22.2	25%	0.245	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-42.2	-34.9	-175.5	-176.9	168.7	-178.1	-124.8	-2.2	115.5	N203 L205 M206 V247 G248	N203-R245 WeakPolarHBondContact OD1-CD 3.41Å; L205-R245 VanDerWaalsContact CD1-CZ 3.49Å; L205-R245 VanDerWaalsContact CD1-NH1 3.34Å; M206-R245 HydrophobicContact CG-CB 3.99Å; M206-R245 HydrophobicContact CG-CG 4.42Å; M206-R245 HydrophobicContact SD-CB 3.88Å; M206-R245 HydrophobicContact SD-CG 3.77Å; R245-V247 VanDerWaalsContact C-N 3.32Å; R245-V247 PolarHBondContact O-N 3.49Å; R245-G248 PolarHBondContact O-N 2.71Å
246	F	98.8	Very high	98.9	Very high	17 Å²	17	24.5 Å²	24.5	8%	0.075	14%	0.138	C	C	.	.	H	α-helix	trans	-76.2	-14.3	-174.6	-65.3	-79.6	0	0	0	114.4	S242 S244 G248 H249 C250 V293 L344 P345	S242-F246 VanDerWaalsContact OG-C 3.31Å; S242-F246 VanDerWaalsContact OG-CB 3.29Å; S242-F246 WeakPolarHBondContact OG-CB 3.49Å; S244-F246 PolarHBondContact O-N 2.85Å; F246-G248 VanDerWaalsContact C-N 3.28Å; F246-G248 PolarHBondContact O-N 3.01Å; F246-H249 AromaticContact CD1-CD2 3.67Å; F246-H249 AromaticContact CE1-CD2 3.83Å; F246-H249 PolarHBondContact O-N 3.06Å; F246-H249 VanDerWaalsContact O-N 3.16Å; F246-C250 PolarHBondContact O-N 3.34Å; F246-C250 PolarHBondContact O-SG 3.34Å; F246-V293 HydrophobicContact CB-CG1 4.09Å; F246-L344 HydrophobicContact CZ-CB 4.41Å; F246-L344 HydrophobicContact CZ-CD2 4.35Å; F246-P345 HydrophobicContact CD1-CB 3.84Å; F246-P345 HydrophobicContact CD1-CG 3.99Å; F246-P345 HydrophobicContact CE1-CB 3.82Å; F246-P345 HydrophobicContact CE1-CG 3.83Å; F246-P345 WeakPolarHBondContact CE1-O 3.43Å; F246-P345 HydrophobicContact CZ-CG 4.47Å
247	V	98.9	Very high	98.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.3	-42.7	166.8	176.5	0	0	0	0	110.5	W179 E232 S242 S244 R245 H249 C250 L251 V266 N268	W179-V247 HydrophobicContact CB-CB 4.15Å; W179-V247 HydrophobicContact CB-CG2 4.21Å; W179-V247 HydrophobicContact CD2-CB 3.71Å; W179-V247 HydrophobicContact CD2-CG1 3.64Å; W179-V247 HydrophobicContact CE3-CB 4.05Å; W179-V247 HydrophobicContact CE3-CG1 3.44Å; W179-V247 VanDerWaalsContact CE3-CG1 3.44Å; W179-V247 HydrophobicContact CG-CB 3.72Å; W179-V247 HydrophobicContact CG-CG1 4.16Å; W179-V247 HydrophobicContact CG-CG2 4.32Å; W179-V247 HydrophobicContact CH2-CG1 4.45Å; W179-V247 HydrophobicContact CZ3-CG1 3.89Å; E232-V247 HydrophobicContact CG-CG1 4.06Å; S242-V247 PolarHBondContact OG-N 3.04Å; S244-V247 WeakPolarHBondContact O-CB 3.49Å; S244-V247 WeakPolarHBondContact O-CG2 3.34Å; S244-V247 PolarHBondContact O-N 3.5Å; R245-V247 VanDerWaalsContact C-N 3.32Å; R245-V247 PolarHBondContact O-N 3.49Å; V247-H249 VanDerWaalsContact C-N 3.34Å; V247-H249 PolarHBondContact O-N 2.89Å; V247-C250 WeakPolarHBondContact O-CB 3.24Å; V247-C250 PolarHBondContact O-N 3.39Å; V247-C250 VanDerWaalsContact O-N 3.16Å; V247-L251 HydrophobicContact CG1-CD1 4.47Å; V247-L251 PolarHBondContact O-N 2.99Å; V247-V266 HydrophobicContact CG1-CG1 4.49Å; V247-N268 HydrophobicContact CG1-CB 3.95Å; V247-N268 HydrophobicContact CG2-CB 4.04Å
248	G	98.8	Very high	98.9	Very high	12 Å²	12	19.9 Å²	19.9	12%	0.124	12%	0.117	C	C	.	.	H	α-helix	trans	-59.8	-42.8	174.5	0	0	0	0	0	112.4	R245 F246 C250 L251 D252	R245-G248 PolarHBondContact O-N 2.71Å; F246-G248 VanDerWaalsContact C-N 3.28Å; F246-G248 PolarHBondContact O-N 3.01Å; G248-C250 VanDerWaalsContact C-N 3.28Å; G248-C250 PolarHBondContact O-N 3.07Å; G248-L251 WeakPolarHBondContact O-CB 3.29Å; G248-L251 PolarHBondContact O-N 3.02Å; G248-L251 VanDerWaalsContact O-N 3.13Å; G248-D252 PolarHBondContact O-N 3.36Å
249	H	98.9	Very high	98.8	Very high	29 Å²	29	28 Å²	28	13%	0.134	15%	0.153	C	C	.	.	H	α-helix	trans	-67.1	-29.4	178	-60.2	10.9	0	0	0	112.1	F246 V247 A253 P345 V347 I350	F246-H249 AromaticContact CD1-CD2 3.67Å; F246-H249 AromaticContact CE1-CD2 3.83Å; F246-H249 PolarHBondContact O-N 3.06Å; F246-H249 VanDerWaalsContact O-N 3.16Å; V247-H249 VanDerWaalsContact C-N 3.34Å; V247-H249 PolarHBondContact O-N 2.89Å; H249-A253 WeakPolarHBondContact O-CB 3.29Å; H249-A253 PolarHBondContact O-N 3.07Å; H249-P345 PolarHBondContact CD2-O 2.94Å; H249-V347 HydrophobicContact CB-CG2 4.15Å; H249-I350 HydrophobicContact CB-CD1 3.67Å
250	C	98.9	Very high	98.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-69.6	-38.1	171.3	-62.7	0	0	0	0	112.2	L240 F246 V247 G248 A253 A254 V266	L240-C250 HydrophobicContact CB-CB 4.25Å; L240-C250 HydrophobicContact CD1-CB 4Å; F246-C250 PolarHBondContact O-N 3.34Å; F246-C250 PolarHBondContact O-SG 3.34Å; V247-C250 WeakPolarHBondContact O-CB 3.24Å; V247-C250 PolarHBondContact O-N 3.39Å; V247-C250 VanDerWaalsContact O-N 3.16Å; G248-C250 VanDerWaalsContact C-N 3.28Å; G248-C250 PolarHBondContact O-N 3.07Å; C250-A253 PolarHBondContact O-N 2.92Å; C250-A254 VanDerWaalsContact O-CB 3.32Å; C250-A254 WeakPolarHBondContact O-CB 3.38Å; C250-A254 PolarHBondContact O-N 3.45Å; C250-V266 HydrophobicContact CB-CG1 3.69Å; C250-V266 HydrophobicContact CB-CG2 4.46Å
251	L	98.9	Very high	98.7	Very high	41 Å²	41	35.7 Å²	35.7	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-67.5	-41.7	174.3	-68.5	168.6	0	0	0	111.8	W179 E232 R233 V247 G248 A254 A255 V266	W179-L251 HydrophobicContact CH2-CD1 3.27Å; W179-L251 HydrophobicContact CZ2-CD1 3.85Å; W179-L251 HydrophobicContact CZ3-CD1 3.87Å; E232-L251 HydrophobicContact CB-CD1 4.31Å; E232-L251 HydrophobicContact CB-CD2 4.17Å; R233-L251 HydrophobicContact CB-CD2 3.65Å; V247-L251 HydrophobicContact CG1-CD1 4.47Å; V247-L251 PolarHBondContact O-N 2.99Å; G248-L251 WeakPolarHBondContact O-CB 3.29Å; G248-L251 PolarHBondContact O-N 3.02Å; G248-L251 VanDerWaalsContact O-N 3.13Å; L251-A254 PolarHBondContact O-N 2.89Å; L251-A255 WeakPolarHBondContact O-CB 3.4Å; L251-A255 PolarHBondContact O-N 2.95Å; L251-V266 HydrophobicContact CD2-CB 3.92Å; L251-V266 HydrophobicContact CD2-CG1 4.04Å; L251-V266 HydrophobicContact CD2-CG2 4.01Å; L251-V266 HydrophobicContact CG-CG1 4.15Å
252	D	98.9	Very high	98.7	Very high	92 Å²	92	36.4 Å²	36.4	49%	0.492	21%	0.207	S	C	.	.	H	α-helix	trans	-60.5	-45.5	173	-70.5	-37.3	0	0	0	111.4	G248 A255 V256 V347	G248-D252 PolarHBondContact O-N 3.36Å; D252-A255 PolarHBondContact O-N 3.48Å; D252-V256 PolarHBondContact O-N 3Å; D252-V256 VanDerWaalsContact O-N 3.1Å; D252-V347 HydrophobicContact CB-CG1 4.1Å; D252-V347 HydrophobicContact CB-CG2 3.8Å
253	A	98.9	Very high	98.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-60.2	-47.5	175.5	0	0	0	0	0	111.5	H249 C250 A255 V256 L257 V347 I350 I351	H249-A253 WeakPolarHBondContact O-CB 3.29Å; H249-A253 PolarHBondContact O-N 3.07Å; C250-A253 PolarHBondContact O-N 2.92Å; A253-A255 VanDerWaalsContact C-N 3.3Å; A253-A255 PolarHBondContact O-N 3.21Å; A253-V256 PolarHBondContact O-N 3.2Å; A253-V256 VanDerWaalsContact O-N 3.15Å; A253-L257 WeakPolarHBondContact O-CB 3.47Å; A253-L257 WeakPolarHBondContact O-CD1 3.43Å; A253-L257 WeakPolarHBondContact O-CG 3.48Å; A253-L257 PolarHBondContact O-N 3Å; A253-V347 HydrophobicContact CB-CG1 4.08Å; A253-I350 HydrophobicContact CB-CB 3.95Å; A253-I350 HydrophobicContact CB-CG2 3.63Å; A253-I351 HydrophobicContact CB-CG1 3.86Å
254	A	98.9	Very high	98.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-35.9	176.3	0	0	0	0	0	112.7	C250 L251 V256 L257 A258 C264 V266	C250-A254 VanDerWaalsContact O-CB 3.32Å; C250-A254 WeakPolarHBondContact O-CB 3.38Å; C250-A254 PolarHBondContact O-N 3.45Å; L251-A254 PolarHBondContact O-N 2.89Å; A254-V256 VanDerWaalsContact C-N 3.32Å; A254-V256 PolarHBondContact O-N 2.94Å; A254-L257 PolarHBondContact O-N 2.86Å; A254-A258 VanDerWaalsContact O-CB 3.25Å; A254-A258 WeakPolarHBondContact O-CB 3.42Å; A254-A258 PolarHBondContact O-N 2.78Å; A254-C264 HydrophobicContact CB-CB 3.77Å; A254-V266 HydrophobicContact CB-CG2 4.03Å
255	A	98.8	Very high	98.7	Very high	51 Å²	51	38.7 Å²	38.7	42%	0.421	22%	0.218	S	C	.	.	H	α-helix	trans	-73.9	-18.9	176.9	0	0	0	0	0	113.9	L251 D252 A253 K259	L251-A255 WeakPolarHBondContact O-CB 3.4Å; L251-A255 PolarHBondContact O-N 2.95Å; D252-A255 PolarHBondContact O-N 3.48Å; A253-A255 VanDerWaalsContact C-N 3.3Å; A253-A255 PolarHBondContact O-N 3.21Å; A255-K259 WeakPolarHBondContact O-CE 3.29Å; A255-K259 PolarHBondContact O-NZ 3.15Å
256	V	98.8	Very high	98.7	Very high	55 Å²	55	35.6 Å²	35.6	33%	0.333	21%	0.207	S	C	.	.	H	α-helix	trans	-82.4	-52.9	165.9	178.5	0	0	0	0	109.9	D252 A253 A254 A258 K259 I351	D252-V256 PolarHBondContact O-N 3Å; D252-V256 VanDerWaalsContact O-N 3.1Å; A253-V256 PolarHBondContact O-N 3.2Å; A253-V256 VanDerWaalsContact O-N 3.15Å; A254-V256 VanDerWaalsContact C-N 3.32Å; A254-V256 PolarHBondContact O-N 2.94Å; V256-A258 VanDerWaalsContact C-N 3.3Å; V256-A258 PolarHBondContact O-N 2.87Å; V256-K259 VanDerWaalsContact O-CB 3.29Å; V256-K259 WeakPolarHBondContact O-CB 3.14Å; V256-K259 PolarHBondContact O-N 2.72Å; V256-I351 HydrophobicContact CB-CD1 3.84Å; V256-I351 HydrophobicContact CG1-CD1 3.87Å; V256-I351 HydrophobicContact CG2-CD1 4.21Å
257	L	98.8	Very high	98.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.2	-36.1	-176.7	-77.9	162.3	0	0	0	113.5	A253 A254 K259 E260 G261 V262 I351 V354 K355	A253-L257 WeakPolarHBondContact O-CB 3.47Å; A253-L257 WeakPolarHBondContact O-CD1 3.43Å; A253-L257 WeakPolarHBondContact O-CG 3.48Å; A253-L257 PolarHBondContact O-N 3Å; A254-L257 PolarHBondContact O-N 2.86Å; L257-K259 PolarHBondContact O-N 3.39Å; L257-E260 CarbonylContact O-C 3.22Å; L257-E260 WeakPolarHBondContact O-CA 3.5Å; L257-E260 WeakPolarHBondContact O-CB 3.42Å; L257-E260 PolarHBondContact O-N 2.97Å; L257-G261 PolarHBondContact O-N 3.11Å; L257-V262 CarbonylContact C-O 3.54Å; L257-V262 VanDerWaalsContact C-O 3.27Å; L257-V262 HydrophobicContact CB-CB 4.05Å; L257-V262 HydrophobicContact CB-CG1 4.23Å; L257-V262 HydrophobicContact CD2-CB 4.2Å; L257-V262 HydrophobicContact CD2-CG1 4.24Å; L257-V262 PolarHBondContact O-N 3.09Å; L257-I351 HydrophobicContact CD1-CG1 4.21Å; L257-I351 HydrophobicContact CD2-CG2 4.16Å; L257-I351 HydrophobicContact CG-CG1 4.22Å; L257-I351 HydrophobicContact CG-CG2 4.46Å; L257-V354 HydrophobicContact CD1-CB 3.87Å; L257-V354 HydrophobicContact CD1-CG1 3.8Å; L257-V354 HydrophobicContact CD1-CG2 3.95Å; L257-V354 HydrophobicContact CD2-CG1 4.17Å; L257-K355 HydrophobicContact CD2-CG 4.24Å
258	A	98.6	Very high	98.7	Very high	42 Å²	42	34.8 Å²	34.8	35%	0.347	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-62	-24.4	175.5	0	0	0	0	0	113.6	A254 V256 E260 G261 V262	A254-A258 VanDerWaalsContact O-CB 3.25Å; A254-A258 WeakPolarHBondContact O-CB 3.42Å; A254-A258 PolarHBondContact O-N 2.78Å; V256-A258 VanDerWaalsContact C-N 3.3Å; V256-A258 PolarHBondContact O-N 2.87Å; A258-E260 VanDerWaalsContact C-N 3.26Å; A258-G261 PolarHBondContact O-N 2.57Å; A258-V262 PolarHBondContact N-O 3.33Å
259	K	98.3	Very high	98.7	Very high	171 Å²	171	34.3 Å²	34.3	74%	0.743	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-75.5	-18.8	174.1	-58.2	165.5	-175.9	156.2	0	112.3	A255 V256 L257	A255-K259 WeakPolarHBondContact O-CE 3.29Å; A255-K259 PolarHBondContact O-NZ 3.15Å; V256-K259 VanDerWaalsContact O-CB 3.29Å; V256-K259 WeakPolarHBondContact O-CB 3.14Å; V256-K259 PolarHBondContact O-N 2.72Å; L257-K259 PolarHBondContact O-N 3.39Å
260	E	97.9	Very high	98.7	Very high	111 Å²	111	33.9 Å²	33.9	52%	0.519	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	-97.6	5.1	173.6	-52.4	-167.7	-117.3	0	0	111.9	L257 A258 K355	L257-E260 CarbonylContact O-C 3.22Å; L257-E260 WeakPolarHBondContact O-CA 3.5Å; L257-E260 WeakPolarHBondContact O-CB 3.42Å; L257-E260 PolarHBondContact O-N 2.97Å; A258-E260 VanDerWaalsContact C-N 3.26Å; E260-K355 WeakPolarHBondContact OE1-CE 3.21Å; E260-K355 IonicContact OE1-NZ 3.17Å; E260-K355 PolarHBondContact OE1-NZ 3.29Å; E260-K355 IonicContact OE2-NZ 3.85Å; E260-K355 PolarHBondContact OE2-NZ 3.1Å
261	G	98.2	Very high	98.7	Very high	51 Å²	51	33.9 Å²	33.9	53%	0.526	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	-1.8	-179.5	0	0	0	0	0	115.4	L257 A258 D263	L257-G261 PolarHBondContact O-N 3.11Å; A258-G261 PolarHBondContact O-N 2.57Å; G261-D263 PolarHBondContact O-N 3Å
262	V	98.8	Very high	98.7	Very high	15 Å²	15	32.3 Å²	32.3	9%	0.091	19%	0.187	C	C	.	.			trans	-90.8	103.1	-177.2	175.3	0	0	0	0	110.7	H237 L257 A258 C264 V354 L358 V360	H237-V262 HydrophobicContact CB-CG1 4.46Å; L257-V262 CarbonylContact C-O 3.54Å; L257-V262 VanDerWaalsContact C-O 3.27Å; L257-V262 HydrophobicContact CB-CB 4.05Å; L257-V262 HydrophobicContact CB-CG1 4.23Å; L257-V262 HydrophobicContact CD2-CB 4.2Å; L257-V262 HydrophobicContact CD2-CG1 4.24Å; L257-V262 PolarHBondContact O-N 3.09Å; A258-V262 PolarHBondContact N-O 3.33Å; V262-C264 PolarHBondContact O-N 3.45Å; V262-V354 HydrophobicContact CG1-CG1 3.96Å; V262-L358 HydrophobicContact CG1-CD1 3.44Å; V262-L358 VanDerWaalsContact CG1-CD1 3.44Å; V262-L358 HydrophobicContact CG2-CD1 4.26Å; V262-V360 HydrophobicContact CG2-CG2 4.42Å
263	D	98.4	Very high	98.7	Very high	55 Å²	55	31.4 Å²	31.4	29%	0.294	18%	0.176	S	C	.	.			trans	-91.9	102.4	-176.1	-162.9	46.5	0	0	0	112.2	R233 G235 S236 H237 G261	R233-D263 IonicContact CZ-OD1 3.46Å; R233-D263 IonicContact NH1-OD1 3.36Å; R233-D263 PolarHBondContact NH1-OD1 2.89Å; R233-D263 IonicContact NH1-OD2 2.71Å; R233-D263 IonicContact NH2-OD1 3.83Å; R233-D263 PolarHBondContact NH2-OD1 3.24Å; G235-D263 WeakPolarHBondContact CA-OD2 3.28Å; S236-D263 PolarHBondContact N-O 3.39Å; S236-D263 VanDerWaalsContact N-O 3.11Å; H237-D263 PolarHBondContact N-O 2.98Å; H237-D263 VanDerWaalsContact ND1-CB 3.33Å; H237-D263 WeakPolarHBondContact ND1-CB 3.38Å; H237-D263 PolarHBondContact ND1-N 3.32Å; H237-D263 VanDerWaalsContact ND1-N 3.12Å; H237-D263 PolarHBondContact ND1-O 3.32Å; G261-D263 PolarHBondContact O-N 3Å
264	C	98.9	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.6	-173.1	-52.6	0	0	0	0	112.4	R233 V238 L240 A254 V262	R233-C264 PolarHBondContact NH1-O 3.38Å; V238-C264 HydrophobicContact CG1-CB 3.91Å; V238-C264 WeakPolarHBondContact CG1-SG 3.31Å; V238-C264 CarbonylContact O-C 3.57Å; V238-C264 WeakPolarHBondContact O-CA 3.34Å; L240-C264 HydrophobicContact CD1-CB 4.09Å; L240-C264 HydrophobicContact CG-CB 4.27Å; A254-C264 HydrophobicContact CB-CB 3.77Å; V262-C264 PolarHBondContact O-N 3.45Å
265	E	98.9	Very high	98.7	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.028	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	132.5	165	-175.7	129.4	97.5	0	0	109.4	V231 R233 Q234 G235 V238 L240 I267 S283 K286 T287	V231-E265 HydrophobicContact CG1-CG 3.8Å; R233-E265 CarbonylContact O-C 3.51Å; R233-E265 WeakPolarHBondContact O-CA 3.3Å; Q234-E265 VanDerWaalsContact CA-OE2 3.28Å; Q234-E265 WeakPolarHBondContact CA-OE2 3.2Å; Q234-E265 PolarHBondContact OE1-OE2 3.26Å; G235-E265 PolarHBondContact N-OE2 2.9Å; V238-E265 PolarHBondContact O-N 2.79Å; L240-E265 PolarHBondContact N-O 2.91Å; E265-I267 HydrophobicContact CG-CG1 4.45Å; E265-S283 WeakPolarHBondContact CG-OG 3.14Å; E265-S283 WeakPolarHBondContact OE1-CB 3.37Å; E265-S283 PolarHBondContact OE1-OG 2.99Å; E265-K286 WeakPolarHBondContact OE1-CE 3.47Å; E265-K286 IonicContact OE1-NZ 3.87Å; E265-K286 PolarHBondContact OE1-NZ 2.74Å; E265-K286 IonicContact OE2-NZ 2.72Å; E265-K286 PolarHBondContact OE2-NZ 2.66Å; E265-T287 HydrophobicContact CB-CG2 4.27Å
266	V	98.9	Very high	98.7	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.5	179.6	-174	0	0	0	0	110.3	V231 E232 R233 L240 V247 C250 L251 A254	V231-V266 CarbonylContact C-O 3.58Å; V231-V266 WeakPolarHBondContact CA-O 3.38Å; E232-V266 PolarHBondContact N-O 2.71Å; R233-V266 HydrophobicContact CB-CB 4.01Å; R233-V266 HydrophobicContact CB-CG2 4.05Å; R233-V266 PolarHBondContact N-O 2.98Å; R233-V266 PolarHBondContact O-N 3.34Å; L240-V266 HydrophobicContact CB-CG2 4.32Å; L240-V266 HydrophobicContact CD1-CG2 4.19Å; V247-V266 HydrophobicContact CG1-CG1 4.49Å; C250-V266 HydrophobicContact CB-CG1 3.69Å; C250-V266 HydrophobicContact CB-CG2 4.46Å; L251-V266 HydrophobicContact CD2-CB 3.92Å; L251-V266 HydrophobicContact CD2-CG1 4.04Å; L251-V266 HydrophobicContact CD2-CG2 4.01Å; L251-V266 HydrophobicContact CG-CG1 4.15Å; A254-V266 HydrophobicContact CB-CG2 4.03Å
267	I	98.9	Very high	98.7	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	118.5	179	-56.4	-175.5	0	0	0	109.7	A229 K230 V231 T239 L240 V241 S242 E265	A229-I267 HydrophobicContact CB-CG2 3.87Å; K230-I267 WeakPolarHBondContact O-CA 3.44Å; V231-I267 HydrophobicContact CG2-CG1 4.37Å; T239-I267 HydrophobicContact CG2-CD1 3.64Å; T239-I267 HydrophobicContact CG2-CG1 4.1Å; L240-I267 PolarHBondContact O-N 3.28Å; V241-I267 HydrophobicContact CG2-CB 4.26Å; V241-I267 HydrophobicContact CG2-CD1 4.31Å; S242-I267 PolarHBondContact N-O 3.1Å; E265-I267 HydrophobicContact CG-CG1 4.45Å
268	N	98.9	Very high	98.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	111.6	162.7	177.6	2.3	0	0	0	108.6	D183 A229 K230 E232 V247 R270	D183-N268 PolarHBondContact OD1-ND2 3.22Å; D183-N268 PolarHBondContact OD2-ND2 3.49Å; A229-N268 CarbonylContact C-O 3.57Å; A229-N268 WeakPolarHBondContact CA-O 3.43Å; A229-N268 WeakPolarHBondContact CB-O 3.42Å; K230-N268 PolarHBondContact N-O 2.82Å; K230-N268 PolarHBondContact O-N 2.97Å; E232-N268 HydrophobicContact CG-CB 3.58Å; E232-N268 WeakPolarHBondContact OE1-CB 3.42Å; E232-N268 PolarHBondContact OE1-ND2 3.37Å; V247-N268 HydrophobicContact CG1-CB 3.95Å; V247-N268 HydrophobicContact CG2-CB 4.04Å; N268-R270 VanDerWaalsContact C-N 3.25Å; N268-R270 PolarHBondContact O-N 3.5Å; N268-R270 PolarHBondContact OD1-N 3.42Å
269	L	98.9	Very high	98.7	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	20%	0.2	C	C	.	.			trans	-57.6	-37.2	-178.4	-76	174.8	0	0	0	113	A229 V241 S242 H243 T271 I272 M275 I280 I302 I306	A229-L269 WeakPolarHBondContact CA-O 3.44Å; V241-L269 HydrophobicContact CG1-CD1 4.01Å; V241-L269 HydrophobicContact CG1-CD2 3.44Å; V241-L269 VanDerWaalsContact CG1-CD2 3.44Å; V241-L269 HydrophobicContact CG1-CG 3.6Å; S242-L269 WeakPolarHBondContact O-CG 3.32Å; S242-L269 PolarHBondContact O-N 3.27Å; H243-L269 HydrophobicContact CB-CB 4.21Å; H243-L269 HydrophobicContact CB-CD1 4.27Å; L269-T271 PolarHBondContact O-N 2.93Å; L269-I272 HydrophobicContact CD1-CD1 4.33Å; L269-M275 HydrophobicContact CD1-SD 4.4Å; L269-M275 HydrophobicContact CD2-CG 4.01Å; L269-M275 HydrophobicContact CD2-SD 3.85Å; L269-I280 HydrophobicContact CD2-CD1 3.87Å; L269-I280 HydrophobicContact CD2-CG1 4.49Å; L269-I302 HydrophobicContact CD1-CG2 4.05Å; L269-I306 HydrophobicContact CD1-CD1 4.16Å
270	R	98.9	Very high	98.8	Very high	20 Å²	20	30.3 Å²	30.3	8%	0.075	17%	0.165	C	C	.	.			trans	58	-55.4	-169.9	-66.1	175.8	150.3	-174.9	-10	115.1	V176 S177 E182 D183 L187 K230 N268	V176-R270 WeakPolarHBondContact CA-O 3.41Å; S177-R270 PolarHBondContact N-O 3.02Å; E182-R270 IonicContact OE1-CZ 3.18Å; E182-R270 IonicContact OE1-NH1 2.7Å; E182-R270 IonicContact OE1-NH2 2.85Å; E182-R270 PolarHBondContact OE1-NH2 2.88Å; D183-R270 IonicContact OD1-CZ 3.99Å; D183-R270 IonicContact OD1-NE 2.72Å; D183-R270 PolarHBondContact OD1-NE 3.5Å; D183-R270 IonicContact OD1-NH2 3.27Å; D183-R270 PolarHBondContact OD1-NH2 3.4Å; L187-R270 HydrophobicContact CD1-CB 4.02Å; L187-R270 HydrophobicContact CD1-CG 4.44Å; K230-R270 VanDerWaalsContact CD-CZ 3.5Å; N268-R270 VanDerWaalsContact C-N 3.25Å; N268-R270 PolarHBondContact O-N 3.5Å; N268-R270 PolarHBondContact OD1-N 3.42Å
271	T	98.9	Very high	98.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.3	177.7	-51.6	0	0	0	0	110.2	V175 V176 I226 G227 L269 R273 P274	V175-T271 WeakPolarHBondContact O-CG2 3.36Å; V176-T271 HydrophobicContact CG1-CG2 4.01Å; I226-T271 HydrophobicContact CG2-CG2 3.7Å; G227-T271 PolarHBondContact N-OG1 2.7Å; L269-T271 PolarHBondContact O-N 2.93Å; T271-R273 VanDerWaalsContact CG2-C 3.44Å; T271-R273 VanDerWaalsContact CG2-O 3.32Å; T271-R273 WeakPolarHBondContact CG2-O 3.42Å; T271-P274 WeakPolarHBondContact CG2-O 3.4Å
272	I	98.9	Very high	98.8	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.046	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	-34	174.5	-43.5	-58.1	0	0	0	110.3	A168 V175 H243 L269 I302	A168-I272 HydrophobicContact CB-CB 4.36Å; A168-I272 HydrophobicContact CB-CG2 3.57Å; V175-I272 HydrophobicContact CB-CB 4.32Å; V175-I272 HydrophobicContact CG1-CB 4.11Å; V175-I272 HydrophobicContact CG1-CG1 4.35Å; V175-I272 PolarHBondContact O-N 2.91Å; H243-I272 HydrophobicContact CB-CD1 3.7Å; L269-I272 HydrophobicContact CD1-CD1 4.33Å; I272-I302 HydrophobicContact CG2-CD1 3.33Å; I272-I302 HydrophobicContact CG2-CG1 3.97Å; I272-I302 HydrophobicContact CG2-CG2 4.42Å
273	R	98.9	Very high	98.8	Very high	73 Å²	73	25.7 Å²	25.7	28%	0.275	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	122.3	174.2	-169.5	-170.1	178.8	82.5	12.3	111.8	A168 C170 L173 K174 V175 T271	A168-R273 HydrophobicContact CB-CB 4.19Å; A168-R273 WeakPolarHBondContact O-CD 3.46Å; A168-R273 PolarHBondContact O-NH1 2.88Å; C170-R273 WeakPolarHBondContact O-CD 3.49Å; C170-R273 PolarHBondContact O-NE 3.31Å; L173-R273 VanDerWaalsContact O-CD 3.29Å; L173-R273 WeakPolarHBondContact O-CD 3.37Å; L173-R273 PolarHBondContact O-NE 3.04Å; K174-R273 CarbonylContact C-O 3.59Å; K174-R273 WeakPolarHBondContact CA-O 3.35Å; V175-R273 HydrophobicContact CB-CB 3.9Å; V175-R273 HydrophobicContact CG2-CB 3.96Å; V175-R273 PolarHBondContact N-O 3.38Å; V175-R273 PolarHBondContact O-N 2.93Å; T271-R273 VanDerWaalsContact CG2-C 3.44Å; T271-R273 VanDerWaalsContact CG2-O 3.32Å; T271-R273 WeakPolarHBondContact CG2-O 3.42Å
274	P	98.8	Very high	98.9	Very high	75 Å²	75	23.1 Å²	23.1	49%	0.487	13%	0.128	S	C	.	.	S	Bend	cis	-67.8	137.3	-13.4	30.3	-34.2	0	0	0	111.1	G227 T271	G227-P274 WeakPolarHBondContact CA-O 3.34Å; T271-P274 WeakPolarHBondContact CG2-O 3.4Å
275	M	98.7	Very high	98.9	Very high	29 Å²	29	26.2 Å²	26.2	14%	0.143	14%	0.143	C	C	.	.			trans	-77.1	139.6	176.1	177.1	162.6	56.8	0	0	111.4	L269 V277 I280 E305 I306	L269-M275 HydrophobicContact CD1-SD 4.4Å; L269-M275 HydrophobicContact CD2-CG 4.01Å; L269-M275 HydrophobicContact CD2-SD 3.85Å; M275-V277 HydrophobicContact CB-CG2 4.28Å; M275-V277 HydrophobicContact CE-CG2 3.9Å; M275-V277 HydrophobicContact CG-CG2 3.98Å; M275-V277 PolarHBondContact O-N 3.32Å; M275-I280 HydrophobicContact CG-CD1 4.26Å; M275-I280 HydrophobicContact SD-CD1 3.99Å; M275-E305 HydrophobicContact CE-CG 3.6Å; M275-I306 HydrophobicContact CE-CG1 3.65Å; M275-I306 HydrophobicContact SD-CD1 4.07Å; M275-I306 HydrophobicContact SD-CG1 3.52Å; M275-I306 VanDerWaalsContact SD-CG1 3.52Å
276	D	98.8	Very high	98.9	Very high	10 Å²	10	30 Å²	30	5%	0.053	16%	0.16	C	C	.	.			trans	-79.2	66.1	178.8	-168.9	18.1	0	0	0	112.4	G227 K228 A229 E278 C279	G227-D276 WeakPolarHBondContact O-CB 3.29Å; K228-D276 WeakPolarHBondContact CA-OD2 3.42Å; K228-D276 VanDerWaalsContact CD-OD2 3.3Å; K228-D276 WeakPolarHBondContact CD-OD2 3.38Å; K228-D276 IonicContact NZ-OD1 3.98Å; K228-D276 PolarHBondContact NZ-OD1 2.88Å; K228-D276 IonicContact NZ-OD2 2.68Å; A229-D276 HydrophobicContact CB-CB 3.89Å; A229-D276 PolarHBondContact N-OD2 2.7Å; D276-E278 PolarHBondContact O-N 2.92Å; D276-C279 HydrophobicContact CB-CB 4.4Å; D276-C279 WeakPolarHBondContact O-CB 3.45Å; D276-C279 PolarHBondContact O-N 2.96Å; D276-C279 VanDerWaalsContact O-N 3.16Å; D276-C279 VanDerWaalsContact OD2-CB 3.29Å; D276-C279 WeakPolarHBondContact OD2-CB 3.47Å
277	V	98.7	Very high	98.8	Very high	9 Å²	9	30.1 Å²	30.1	6%	0.055	16%	0.16	C	C	.	.	H	α-helix	trans	-62	-31.2	-175.4	178.5	0	0	0	0	112	M275 C279 I280 E281 R309	M275-V277 HydrophobicContact CB-CG2 4.28Å; M275-V277 HydrophobicContact CE-CG2 3.9Å; M275-V277 HydrophobicContact CG-CG2 3.98Å; M275-V277 PolarHBondContact O-N 3.32Å; V277-C279 VanDerWaalsContact C-N 3.27Å; V277-C279 PolarHBondContact O-N 2.9Å; V277-I280 PolarHBondContact O-N 2.94Å; V277-I280 VanDerWaalsContact O-N 3.08Å; V277-E281 HydrophobicContact CG1-CG 3.93Å; V277-E281 WeakPolarHBondContact CG1-OE1 3.45Å; V277-E281 WeakPolarHBondContact O-CG 3.4Å; V277-E281 PolarHBondContact O-N 3.43Å; V277-R309 HydrophobicContact CG1-CB 4.41Å
278	E	98.8	Very high	98.8	Very high	140 Å²	140	32.5 Å²	32.5	65%	0.654	17%	0.173	S	C	*	.	H	α-helix	trans	-55	-40.9	174.9	-58.6	175.2	152.8	0	0	112.3	K228 D276 G282	K228-E278 IonicContact NZ-OE2 3.82Å; K228-E278 PolarHBondContact NZ-OE2 3.08Å; D276-E278 PolarHBondContact O-N 2.92Å; E278-G282 PolarHBondContact O-N 3.03Å
279	C	98.8	Very high	98.8	Very high	31 Å²	31	33.9 Å²	33.9	21%	0.209	18%	0.179	C	C	.	.	H	α-helix	trans	-68.6	-38.2	178.2	-178.1	0	0	0	0	111.9	A229 D276 V277 S283	A229-C279 HydrophobicContact CB-CB 4.22Å; D276-C279 HydrophobicContact CB-CB 4.4Å; D276-C279 WeakPolarHBondContact O-CB 3.45Å; D276-C279 PolarHBondContact O-N 2.96Å; D276-C279 VanDerWaalsContact O-N 3.16Å; D276-C279 VanDerWaalsContact OD2-CB 3.29Å; D276-C279 WeakPolarHBondContact OD2-CB 3.47Å; V277-C279 VanDerWaalsContact C-N 3.27Å; V277-C279 PolarHBondContact O-N 2.9Å; C279-S283 WeakPolarHBondContact O-CB 3.42Å; C279-S283 PolarHBondContact O-N 3.22Å
280	I	98.9	Very high	98.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-69.1	-49.2	177.1	-51.2	171	0	0	0	110	V241 L269 M275 V277 G282 S283 V284 L290 I306 I310	V241-I280 HydrophobicContact CG1-CD1 4.13Å; V241-I280 HydrophobicContact CG1-CG1 4.45Å; V241-I280 HydrophobicContact CG2-CG1 4.26Å; V241-I280 HydrophobicContact CG2-CG2 3.81Å; L269-I280 HydrophobicContact CD2-CD1 3.87Å; L269-I280 HydrophobicContact CD2-CG1 4.49Å; M275-I280 HydrophobicContact CG-CD1 4.26Å; M275-I280 HydrophobicContact SD-CD1 3.99Å; V277-I280 PolarHBondContact O-N 2.94Å; V277-I280 VanDerWaalsContact O-N 3.08Å; I280-G282 PolarHBondContact O-N 2.58Å; I280-S283 WeakPolarHBondContact O-CB 3.44Å; I280-S283 PolarHBondContact O-N 3.34Å; I280-S283 VanDerWaalsContact O-N 3.15Å; I280-V284 HydrophobicContact CG2-CG2 4.28Å; I280-V284 WeakPolarHBondContact O-CG2 3.36Å; I280-V284 PolarHBondContact O-N 2.95Å; I280-L290 HydrophobicContact CG2-CD1 4.22Å; I280-L290 HydrophobicContact CG2-CD2 4.39Å; I280-I306 HydrophobicContact CD1-CG1 4.38Å; I280-I306 HydrophobicContact CD1-CG2 4.38Å; I280-I310 HydrophobicContact CB-CD1 4.3Å; I280-I310 HydrophobicContact CG2-CD1 3.76Å; I280-I310 HydrophobicContact CG2-CG1 4.28Å
281	E	98.9	Very high	98.8	Very high	32 Å²	32	32.9 Å²	32.9	15%	0.15	18%	0.176	C	C	.	.	H	α-helix	trans	-58.3	-48.5	179.7	-74.4	178.6	178.8	0	0	111.8	V277 S283 V284 M285 I310 P314 A315	V277-E281 HydrophobicContact CG1-CG 3.93Å; V277-E281 WeakPolarHBondContact CG1-OE1 3.45Å; V277-E281 WeakPolarHBondContact O-CG 3.4Å; V277-E281 PolarHBondContact O-N 3.43Å; E281-S283 PolarHBondContact O-N 3.31Å; E281-V284 PolarHBondContact O-N 3.42Å; E281-M285 HydrophobicContact CB-CE 4.48Å; E281-M285 VanDerWaalsContact O-CG 3.28Å; E281-M285 WeakPolarHBondContact O-CG 3.38Å; E281-M285 PolarHBondContact O-N 2.85Å; E281-I310 HydrophobicContact CG-CD1 3.69Å; E281-P314 WeakPolarHBondContact OE2-CD 3.45Å; E281-P314 WeakPolarHBondContact OE2-CG 3.45Å; E281-A315 HydrophobicContact CB-CB 3.97Å; E281-A315 HydrophobicContact CG-CB 3.88Å
282	G	98.9	Very high	98.8	Very high	46 Å²	46	33 Å²	33	47%	0.474	18%	0.176	S	C	.	.	H	α-helix	trans	-63.3	-27	177.7	0	0	0	0	0	113.9	E278 I280	E278-G282 PolarHBondContact O-N 3.03Å; I280-G282 PolarHBondContact O-N 2.58Å
283	S	98.9	Very high	98.8	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.021	17%	0.174	C	C	.	.	H	α-helix	trans	-76.5	-45.7	172.2	-172.9	0	0	0	0	111.8	T239 E265 C279 I280 E281 M285 K286 T287	T239-S283 VanDerWaalsContact CG2-OG 3.27Å; T239-S283 WeakPolarHBondContact CG2-OG 3.44Å; T239-S283 PolarHBondContact OG1-OG 2.9Å; E265-S283 WeakPolarHBondContact CG-OG 3.14Å; E265-S283 WeakPolarHBondContact OE1-CB 3.37Å; E265-S283 PolarHBondContact OE1-OG 2.99Å; C279-S283 WeakPolarHBondContact O-CB 3.42Å; C279-S283 PolarHBondContact O-N 3.22Å; I280-S283 WeakPolarHBondContact O-CB 3.44Å; I280-S283 PolarHBondContact O-N 3.34Å; I280-S283 VanDerWaalsContact O-N 3.15Å; E281-S283 PolarHBondContact O-N 3.31Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 3.26Å; S283-K286 WeakPolarHBondContact O-CA 3.26Å; S283-K286 WeakPolarHBondContact O-CB 3.36Å; S283-K286 PolarHBondContact O-N 2.64Å; S283-T287 PolarHBondContact O-N 2.82Å; S283-T287 PolarHBondContact O-OG1 2.81Å
284	V	98.9	Very high	98.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.3	-36.2	178.4	172.9	0	0	0	0	112	I280 E281 K286 T287 N288 L290 A315 L319	I280-V284 HydrophobicContact CG2-CG2 4.28Å; I280-V284 WeakPolarHBondContact O-CG2 3.36Å; I280-V284 PolarHBondContact O-N 2.95Å; E281-V284 PolarHBondContact O-N 3.42Å; V284-K286 PolarHBondContact O-N 3.26Å; V284-T287 PolarHBondContact O-N 3.17Å; V284-N288 WeakPolarHBondContact O-CA 3.28Å; V284-N288 PolarHBondContact O-N 2.85Å; V284-L290 HydrophobicContact CG2-CB 3.98Å; V284-L290 HydrophobicContact CG2-CD1 3.98Å; V284-L290 HydrophobicContact CG2-CD2 4.08Å; V284-L290 HydrophobicContact CG2-CG 4.23Å; V284-A315 HydrophobicContact CB-CB 4.26Å; V284-A315 HydrophobicContact CG1-CB 4.13Å; V284-L319 HydrophobicContact CG1-CD2 3.61Å; V284-L319 HydrophobicContact CG1-CG 4.1Å
285	M	98.8	Very high	98.8	Very high	66 Å²	66	26.6 Å²	26.6	33%	0.325	15%	0.147	S	C	.	.	H	α-helix	trans	-63.1	-17.1	172.6	-69.7	176	-172.1	0	0	114	E281 S283 P314 A315 F318	E281-M285 HydrophobicContact CB-CE 4.48Å; E281-M285 VanDerWaalsContact O-CG 3.28Å; E281-M285 WeakPolarHBondContact O-CG 3.38Å; E281-M285 PolarHBondContact O-N 2.85Å; S283-M285 VanDerWaalsContact C-N 3.32Å; S283-M285 PolarHBondContact O-N 3.26Å; M285-P314 HydrophobicContact CE-CB 3.72Å; M285-P314 HydrophobicContact CE-CG 3.78Å; M285-A315 HydrophobicContact CE-CB 4.1Å; M285-A315 HydrophobicContact CG-CB 4.29Å; M285-F318 HydrophobicContact CB-CD1 4.02Å; M285-F318 HydrophobicContact CB-CE1 4.25Å; M285-F318 HydrophobicContact CB-CG 4.17Å; M285-F318 HydrophobicContact CE-CE2 4.38Å; M285-F318 HydrophobicContact CG-CB 4.42Å; M285-F318 HydrophobicContact CG-CD1 4.13Å; M285-F318 HydrophobicContact CG-CD2 3.75Å; M285-F318 HydrophobicContact CG-CE1 4.31Å; M285-F318 HydrophobicContact CG-CE2 3.95Å; M285-F318 HydrophobicContact CG-CG 3.85Å; M285-F318 HydrophobicContact CG-CZ 4.22Å; M285-F318 HydrophobicContact SD-CE2 4.32Å
286	K	98.8	Very high	98.8	Very high	86 Å²	86	25.5 Å²	25.5	37%	0.374	14%	0.143	S	C	.	.	H	α-helix	trans	-99.9	-32.6	177.6	175.9	-174.4	58.6	155.8	0	112.9	G235 E265 S283 V284	G235-K286 VanDerWaalsContact O-CE 3.29Å; G235-K286 WeakPolarHBondContact O-CE 3.42Å; G235-K286 PolarHBondContact O-NZ 2.83Å; E265-K286 WeakPolarHBondContact OE1-CE 3.47Å; E265-K286 IonicContact OE1-NZ 3.87Å; E265-K286 PolarHBondContact OE1-NZ 2.74Å; E265-K286 IonicContact OE2-NZ 2.72Å; E265-K286 PolarHBondContact OE2-NZ 2.66Å; S283-K286 WeakPolarHBondContact O-CA 3.26Å; S283-K286 WeakPolarHBondContact O-CB 3.36Å; S283-K286 PolarHBondContact O-N 2.64Å; V284-K286 PolarHBondContact O-N 3.26Å
287	T	98.9	Very high	98.8	Very high	2 Å²	2	29.6 Å²	29.6	1%	0.012	16%	0.158	C	C	.	.	H	α-helix	trans	-103.7	-16.3	-173.1	62.4	0	0	0	0	114.2	H237 T239 E265 S283 V284 H289	H237-T287 VanDerWaalsContact O-O 3.05Å; T239-T287 PolarHBondContact N-OG1 3.39Å; T239-T287 WeakPolarHBondContact OG1-CG2 3.48Å; T239-T287 PolarHBondContact OG1-OG1 2.76Å; E265-T287 HydrophobicContact CB-CG2 4.27Å; S283-T287 PolarHBondContact O-N 2.82Å; S283-T287 PolarHBondContact O-OG1 2.81Å; V284-T287 PolarHBondContact O-N 3.17Å; T287-H289 PolarHBondContact O-N 2.68Å; T287-H289 PolarHBondContact O-ND1 2.58Å; T287-H289 PolarHBondContact OG1-O 3.48Å
288	N	98.9	Very high	98.8	Very high	50 Å²	50	30.4 Å²	30.4	27%	0.267	16%	0.163	S	C	.	.	S	Bend	trans	60.8	2.6	-177.8	-54.7	98.7	0	0	0	116.1	V284 F318 L319 D320	V284-N288 WeakPolarHBondContact O-CA 3.28Å; V284-N288 PolarHBondContact O-N 2.85Å; N288-F318 VanDerWaalsContact CA-O 3.22Å; N288-F318 WeakPolarHBondContact CA-O 3.35Å; N288-F318 VanDerWaalsContact CB-O 3.29Å; N288-F318 WeakPolarHBondContact CB-O 3.47Å; N288-F318 PolarHBondContact ND2-O 3.5Å; N288-L319 WeakPolarHBondContact O-CA 3.38Å; N288-D320 HydrophobicContact CB-CB 4.19Å; N288-D320 VanDerWaalsContact CB-OD2 3.29Å; N288-D320 WeakPolarHBondContact CB-OD2 3.37Å; N288-D320 PolarHBondContact O-N 3.37Å
289	H	98.9	Very high	98.8	Very high	29 Å²	29	29.5 Å²	29.5	13%	0.134	16%	0.159	C	C	.	.			trans	-144.9	141.3	-172	-57.2	82.9	0	0	0	111.2	H237 V238 T239 T287 T357 L358	H237-H289 PolarHBondContact O-ND1 3.5Å; V238-H289 HydrophobicContact CB-CB 4.14Å; V238-H289 HydrophobicContact CG2-CB 3.92Å; T239-H289 PolarHBondContact N-O 2.94Å; T287-H289 PolarHBondContact O-N 2.68Å; T287-H289 PolarHBondContact O-ND1 2.58Å; T287-H289 PolarHBondContact OG1-O 3.48Å; H289-T357 HydrophobicContact CB-CG2 4.12Å; H289-L358 HydrophobicContact CB-CD2 4.11Å
290	L	98.9	Very high	98.8	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	133.8	-177.1	-178.6	63.4	0	0	0	112.8	T239 V241 I280 V284 I306 I310 L319 V323 T324	T239-L290 HydrophobicContact CG2-CD1 3.91Å; T239-L290 WeakPolarHBondContact O-CA 3.36Å; V241-L290 HydrophobicContact CB-CD1 4.5Å; V241-L290 HydrophobicContact CG2-CD1 3.59Å; I280-L290 HydrophobicContact CG2-CD1 4.22Å; I280-L290 HydrophobicContact CG2-CD2 4.39Å; V284-L290 HydrophobicContact CG2-CB 3.98Å; V284-L290 HydrophobicContact CG2-CD1 3.98Å; V284-L290 HydrophobicContact CG2-CD2 4.08Å; V284-L290 HydrophobicContact CG2-CG 4.23Å; L290-I306 HydrophobicContact CD2-CG2 3.99Å; L290-I310 HydrophobicContact CD2-CB 4.28Å; L290-I310 HydrophobicContact CD2-CG1 3.8Å; L290-I310 HydrophobicContact CD2-CG2 4.12Å; L290-L319 HydrophobicContact CB-CD2 4.33Å; L290-V323 HydrophobicContact CB-CG1 4Å; L290-V323 HydrophobicContact CB-CG2 4.18Å; L290-V323 HydrophobicContact CD2-CG1 3.66Å; L290-V323 HydrophobicContact CD2-CG2 4.02Å; L290-V323 HydrophobicContact CG-CG1 3.72Å; L290-V323 HydrophobicContact CG-CG2 4.49Å; L290-T324 PolarHBondContact O-N 3.24Å
291	V	98.9	Very high	98.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	129.1	167.1	-170.1	0	0	0	0	109.5	V238 T239 L240 V241 V293 T324 V326 V354	V238-V291 HydrophobicContact CG2-CG2 4.01Å; T239-V291 PolarHBondContact O-N 2.97Å; L240-V291 WeakPolarHBondContact CA-O 3.33Å; L240-V291 HydrophobicContact CD2-CB 3.73Å; L240-V291 HydrophobicContact CD2-CG1 4.5Å; L240-V291 HydrophobicContact CD2-CG2 4.07Å; V241-V291 PolarHBondContact N-O 3.37Å; V291-V293 HydrophobicContact CG1-CG2 4.43Å; V291-T324 WeakPolarHBondContact CA-O 3.19Å; V291-T324 WeakPolarHBondContact CG2-OG1 3.34Å; V291-V326 HydrophobicContact CG1-CG2 3.98Å; V291-V354 HydrophobicContact CG2-CG2 4.1Å
292	T	98.9	Very high	98.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.5	174.1	71.5	0	0	0	0	110.4	V241 G303 I306 V323 T324 R325 V326	V241-T292 CarbonylContact O-C 3.49Å; V241-T292 WeakPolarHBondContact O-CA 3.32Å; T292-G303 WeakPolarHBondContact OG1-CA 3.33Å; T292-I306 HydrophobicContact CG2-CB 3.87Å; T292-I306 HydrophobicContact CG2-CD1 4.04Å; T292-I306 HydrophobicContact CG2-CG2 3.58Å; T292-V323 HydrophobicContact CG2-CG1 4.3Å; T292-T324 PolarHBondContact N-O 2.81Å; T292-R325 WeakPolarHBondContact O-CA 3.41Å; T292-R325 WeakPolarHBondContact OG1-CG 3.37Å; T292-V326 PolarHBondContact O-N 3.08Å
293	V	98.9	Very high	98.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	119	-179.8	-171.1	0	0	0	0	110.6	V241 S242 F246 V291 V326 P345 I350	V241-V293 PolarHBondContact O-N 3.43Å; S242-V293 WeakPolarHBondContact CA-O 3.16Å; S242-V293 VanDerWaalsContact CB-O 3.31Å; S242-V293 WeakPolarHBondContact CB-O 3.27Å; S242-V293 PolarHBondContact OG-O 3.35Å; F246-V293 HydrophobicContact CB-CG1 4.09Å; V291-V293 HydrophobicContact CG1-CG2 4.43Å; V293-V326 VanDerWaalsContact CA-O 3.32Å; V293-V326 WeakPolarHBondContact CA-O 3.48Å; V293-V326 HydrophobicContact CG1-CB 4.33Å; V293-V326 HydrophobicContact CG2-CB 4.26Å; V293-V326 HydrophobicContact CG2-CG2 4.5Å; V293-P345 HydrophobicContact CG1-CB 4.21Å; V293-P345 HydrophobicContact CG1-CG 4.45Å; V293-I350 HydrophobicContact CG1-CD1 3.87Å; V293-I350 HydrophobicContact CG1-CG1 4.01Å; V293-I350 HydrophobicContact CG2-CD1 4.35Å; V293-I350 HydrophobicContact CG2-CG1 4.1Å; V293-I350 HydrophobicContact CG2-CG2 4.2Å
294	E	98.9	Very high	98.8	Very high	6 Å²	6	35 Å²	35	3%	0.028	17%	0.174	C	C	.	.			trans	-135.6	153.7	177.6	68.7	-177.7	122.6	0	0	112.6	G296 I302 G303 V326 T327 G328 P345	E294-G296 VanDerWaalsContact C-N 3.32Å; E294-I302 VanDerWaalsContact CD-N 3.31Å; E294-I302 PolarHBondContact OE1-N 3.37Å; E294-I302 VanDerWaalsContact OE1-N 3.08Å; E294-I302 PolarHBondContact OE2-N 2.96Å; E294-G303 PolarHBondContact OE1-N 3.16Å; E294-V326 PolarHBondContact N-O 2.86Å; E294-T327 HydrophobicContact CG-CG2 3.96Å; E294-T327 CarbonylContact O-C 3.27Å; E294-T327 VanDerWaalsContact O-CA 3.27Å; E294-T327 WeakPolarHBondContact O-CA 3.38Å; E294-G328 PolarHBondContact O-N 2.69Å; E294-P345 WeakPolarHBondContact O-CG 3.46Å
295	G	98.6	Very high	98.8	Very high	15 Å²	15	39.4 Å²	39.4	16%	0.155	19%	0.194	C	C	.	.	S	Bend	trans	-84.5	-2.1	173.9	0	0	0	0	0	114.8
296	G	98.6	Very high	98.8	Very high	6 Å²	6	36.4 Å²	36.4	6%	0.062	18%	0.18	C	C	.	.	S	Bend	trans	-83.8	173.1	-178.7	0	0	0	0	0	113.8	E294 G328	E294-G296 VanDerWaalsContact C-N 3.32Å; G296-G328 WeakPolarHBondContact O-CA 3.38Å; G296-G328 PolarHBondContact O-N 3.03Å
297	W	98.9	Very high	98.8	Very high	95 Å²	95	33.7 Å²	33.7	36%	0.36	17%	0.171	S	C	.	.			trans	-65.3	150.8	172.7	-67.7	-46.7	0	0	0	111.9	Q161 Q299 I331	Q161-W297 HydrophobicContact CB-CH2 4.3Å; Q161-W297 VanDerWaalsContact CD-CZ3 3.45Å; Q161-W297 HydrophobicContact CG-CE3 4.48Å; Q161-W297 HydrophobicContact CG-CH2 3.73Å; Q161-W297 HydrophobicContact CG-CZ3 3.71Å; W297-Q299 PolarHBondContact O-N 3Å; W297-I331 PolarHBondContact NE1-O 3.22Å
298	P	98.8	Very high	98.8	Very high	26 Å²	26	35.6 Å²	35.6	17%	0.169	19%	0.187	C	C	.	.	S	Bend	trans	-73.8	-27.6	-170.9	25.9	-31.8	0	0	0	114.2	R325 T327 G328 D330	P298-R325 VanDerWaalsContact O-CZ 3.31Å; P298-R325 PolarHBondContact O-NH1 3.07Å; P298-R325 PolarHBondContact O-NH2 3.14Å; P298-T327 HydrophobicContact CB-CG2 4.24Å; P298-T327 WeakPolarHBondContact CB-OG1 3.3Å; P298-G328 WeakPolarHBondContact CD-O 3.36Å; P298-D330 HydrophobicContact CG-CB 3.68Å
299	Q	98.8	Very high	98.8	Very high	122 Å²	122	37.4 Å²	37.4	57%	0.57	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	123	-177.3	-57.7	-162.7	52.2	0	0	109.9	W297 G301 D330	W297-Q299 PolarHBondContact O-N 3Å; Q299-G301 PolarHBondContact O-N 2.57Å; Q299-G301 VanDerWaalsContact O-N 3.17Å; Q299-D330 PolarHBondContact NE2-OD2 2.91Å
300	F	98.7	Very high	98.8	Very high	180 Å²	180	36.1 Å²	36.1	79%	0.789	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.7	21	-178	-42	-78.2	0	0	0	115.1	A165	A165-F300 WeakPolarHBondContact CB-O 3.42Å
301	G	98.8	Very high	98.8	Very high	5 Å²	5	41.1 Å²	41.1	5%	0.052	21%	0.209	C	C	.	.			trans	-71.1	175.5	175.9	0	0	0	0	0	114.7	Q299 G303 A304	Q299-G301 PolarHBondContact O-N 2.57Å; Q299-G301 VanDerWaalsContact O-N 3.17Å; G301-G303 VanDerWaalsContact C-N 3.3Å; G301-G303 PolarHBondContact O-N 2.87Å; G301-A304 WeakPolarHBondContact O-CB 3.26Å; G301-A304 PolarHBondContact O-N 2.95Å
302	I	98.9	Very high	98.8	Very high	10 Å²	10	48.4 Å²	48.4	5%	0.051	24%	0.243	C	C	.	.	H	α-helix	trans	-62.3	-36.7	-177.1	-61.1	-51.5	0	0	0	112.1	A164 A165 A168 L269 I272 E294 A304 E305 I306	A164-I302 HydrophobicContact CB-CD1 4.16Å; A164-I302 HydrophobicContact CB-CG1 3.88Å; A165-I302 HydrophobicContact CB-CD1 3.97Å; A168-I302 HydrophobicContact CB-CD1 4.27Å; L269-I302 HydrophobicContact CD1-CG2 4.05Å; I272-I302 HydrophobicContact CG2-CD1 3.33Å; I272-I302 HydrophobicContact CG2-CG1 3.97Å; I272-I302 HydrophobicContact CG2-CG2 4.42Å; E294-I302 VanDerWaalsContact CD-N 3.31Å; E294-I302 PolarHBondContact OE1-N 3.37Å; E294-I302 VanDerWaalsContact OE1-N 3.08Å; E294-I302 PolarHBondContact OE2-N 2.96Å; I302-A304 PolarHBondContact O-N 3.02Å; I302-E305 PolarHBondContact O-N 3.12Å; I302-I306 HydrophobicContact CG2-CD1 4Å; I302-I306 WeakPolarHBondContact O-CG1 3.16Å; I302-I306 PolarHBondContact O-N 2.84Å; I302-I306 VanDerWaalsContact O-N 3.08Å
303	G	98.9	Very high	98.8	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.01	25%	0.25	C	S	.	.	H	α-helix	trans	-62.7	-25.2	174	0	0	0	0	0	113.3	T292 E294 G301 C307 R325	T292-G303 WeakPolarHBondContact OG1-CA 3.33Å; E294-G303 PolarHBondContact OE1-N 3.16Å; G301-G303 VanDerWaalsContact C-N 3.3Å; G301-G303 PolarHBondContact O-N 2.87Å; G303-C307 WeakPolarHBondContact O-CB 3.38Å; G303-C307 PolarHBondContact O-N 2.93Å; G303-C307 PolarHBondContact O-SG 3.27Å; G303-R325 VanDerWaalsContact O-CD 3.31Å; G303-R325 WeakPolarHBondContact O-CD 3.32Å
304	A	98.9	Very high	98.8	Very high	32 Å²	32	52.7 Å²	52.7	26%	0.264	27%	0.274	S	S	.	.	H	α-helix	trans	-74.2	-40.4	176.4	0	0	0	0	0	112.3	G301 I302 C307 A308	G301-A304 WeakPolarHBondContact O-CB 3.26Å; G301-A304 PolarHBondContact O-N 2.95Å; I302-A304 PolarHBondContact O-N 3.02Å; A304-C307 PolarHBondContact O-N 3.44Å; A304-A308 WeakPolarHBondContact O-CB 3.4Å; A304-A308 PolarHBondContact O-N 3.15Å
305	E	98.9	Very high	98.8	Very high	92 Å²	92	52.4 Å²	52.4	43%	0.43	27%	0.272	S	S	.	.	H	α-helix	trans	-60.7	-46	169.6	170.6	70.1	-169.6	0	0	110.1	M275 I302 C307 A308 R309	M275-E305 HydrophobicContact CE-CG 3.6Å; I302-E305 PolarHBondContact O-N 3.12Å; E305-C307 PolarHBondContact O-N 2.91Å; E305-A308 PolarHBondContact O-N 3.43Å; E305-R309 HydrophobicContact CG-CG 4.14Å; E305-R309 WeakPolarHBondContact O-CB 3.29Å; E305-R309 WeakPolarHBondContact O-CG 2.75Å; E305-R309 PolarHBondContact O-N 3.41Å; E305-R309 WeakPolarHBondContact OE1-CD 3.11Å; E305-R309 WeakPolarHBondContact OE1-CG 3.22Å; E305-R309 IonicContact OE1-CZ 2.67Å; E305-R309 IonicContact OE1-NH1 2.85Å; E305-R309 PolarHBondContact OE1-NH1 3.49Å
306	I	98.9	Very high	98.8	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-60	-47.3	177.9	-63.3	163	0	0	0	111.2	V241 L269 M275 I280 L290 T292 I302 A308 R309 I310	V241-I306 HydrophobicContact CG1-CD1 3.84Å; L269-I306 HydrophobicContact CD1-CD1 4.16Å; M275-I306 HydrophobicContact CE-CG1 3.65Å; M275-I306 HydrophobicContact SD-CD1 4.07Å; M275-I306 HydrophobicContact SD-CG1 3.52Å; M275-I306 VanDerWaalsContact SD-CG1 3.52Å; I280-I306 HydrophobicContact CD1-CG1 4.38Å; I280-I306 HydrophobicContact CD1-CG2 4.38Å; L290-I306 HydrophobicContact CD2-CG2 3.99Å; T292-I306 HydrophobicContact CG2-CB 3.87Å; T292-I306 HydrophobicContact CG2-CD1 4.04Å; T292-I306 HydrophobicContact CG2-CG2 3.58Å; I302-I306 HydrophobicContact CG2-CD1 4Å; I302-I306 WeakPolarHBondContact O-CG1 3.16Å; I302-I306 PolarHBondContact O-N 2.84Å; I302-I306 VanDerWaalsContact O-N 3.08Å; I306-A308 PolarHBondContact O-N 3.28Å; I306-R309 PolarHBondContact O-N 2.93Å; I306-I310 HydrophobicContact CG2-CG1 4.19Å; I306-I310 WeakPolarHBondContact O-CB 3.4Å; I306-I310 VanDerWaalsContact O-CG1 3.27Å; I306-I310 WeakPolarHBondContact O-CG1 3.43Å; I306-I310 PolarHBondContact O-N 3.27Å
307	C	98.9	Very high	98.8	Very high	29 Å²	29	62.4 Å²	62.4	20%	0.196	32%	0.317	C	S	.	.	H	α-helix	trans	-56.5	-46.1	175.3	-81.2	0	0	0	0	112.5	G303 A304 E305 M311 V323	G303-C307 WeakPolarHBondContact O-CB 3.38Å; G303-C307 PolarHBondContact O-N 2.93Å; G303-C307 PolarHBondContact O-SG 3.27Å; A304-C307 PolarHBondContact O-N 3.44Å; E305-C307 PolarHBondContact O-N 2.91Å; C307-M311 VanDerWaalsContact O-CB 3.31Å; C307-M311 WeakPolarHBondContact O-CB 3.38Å; C307-M311 PolarHBondContact O-N 3.12Å; C307-M311 VanDerWaalsContact O-N 3.13Å; C307-V323 WeakPolarHBondContact SG-CG1 3.46Å
308	A	98.9	Very high	98.8	Very high	41 Å²	41	62.1 Å²	62.1	34%	0.339	32%	0.318	S	S	.	.	H	α-helix	trans	-63.6	-49.2	179.3	0	0	0	0	0	111.2	A304 E305 I306 I310 M311 E312	A304-A308 WeakPolarHBondContact O-CB 3.4Å; A304-A308 PolarHBondContact O-N 3.15Å; E305-A308 PolarHBondContact O-N 3.43Å; I306-A308 PolarHBondContact O-N 3.28Å; A308-I310 PolarHBondContact O-N 2.95Å; A308-M311 WeakPolarHBondContact O-CB 3.49Å; A308-M311 PolarHBondContact O-N 3.34Å; A308-M311 VanDerWaalsContact O-N 3.1Å; A308-E312 WeakPolarHBondContact O-CG 3.39Å; A308-E312 PolarHBondContact O-N 3.43Å
309	R	98.8	Very high	98.8	Very high	89 Å²	89	62.4 Å²	62.4	34%	0.336	32%	0.318	S	S	.	.	H	α-helix	trans	-66.4	-34.3	-176.7	-65.3	-66	-59.1	-67.9	-9.4	113.4	V277 E305 I306 G313	V277-R309 HydrophobicContact CG1-CB 4.41Å; E305-R309 HydrophobicContact CG-CG 4.14Å; E305-R309 WeakPolarHBondContact O-CB 3.29Å; E305-R309 WeakPolarHBondContact O-CG 2.75Å; E305-R309 PolarHBondContact O-N 3.41Å; E305-R309 WeakPolarHBondContact OE1-CD 3.11Å; E305-R309 WeakPolarHBondContact OE1-CG 3.22Å; E305-R309 IonicContact OE1-CZ 2.67Å; E305-R309 IonicContact OE1-NH1 2.85Å; E305-R309 PolarHBondContact OE1-NH1 3.49Å; I306-R309 PolarHBondContact O-N 2.93Å; R309-G313 WeakPolarHBondContact O-CA 3.25Å; R309-G313 PolarHBondContact O-N 3.15Å
310	I	98.8	Very high	98.8	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-74.8	-27.7	174.5	-65.6	-70.4	0	0	0	111.9	I280 E281 L290 I306 A308 A315 F316 L319 V323	I280-I310 HydrophobicContact CB-CD1 4.3Å; I280-I310 HydrophobicContact CG2-CD1 3.76Å; I280-I310 HydrophobicContact CG2-CG1 4.28Å; E281-I310 HydrophobicContact CG-CD1 3.69Å; L290-I310 HydrophobicContact CD2-CB 4.28Å; L290-I310 HydrophobicContact CD2-CG1 3.8Å; L290-I310 HydrophobicContact CD2-CG2 4.12Å; I306-I310 HydrophobicContact CG2-CG1 4.19Å; I306-I310 WeakPolarHBondContact O-CB 3.4Å; I306-I310 VanDerWaalsContact O-CG1 3.27Å; I306-I310 WeakPolarHBondContact O-CG1 3.43Å; I306-I310 PolarHBondContact O-N 3.27Å; A308-I310 PolarHBondContact O-N 2.95Å; I310-A315 HydrophobicContact CD1-CB 4.32Å; I310-F316 WeakPolarHBondContact O-CA 3.24Å; I310-F316 WeakPolarHBondContact O-CB 3.38Å; I310-F316 PolarHBondContact O-N 3.16Å; I310-L319 HydrophobicContact CG2-CD1 3.9Å; I310-V323 HydrophobicContact CG2-CG2 4.3Å
311	M	98.8	Very high	98.8	Very high	106 Å²	106	54.6 Å²	54.6	52%	0.522	29%	0.29	S	S	.	.	H	α-helix	trans	-74.5	-35.7	172.5	-177.7	68.1	54	0	0	112.4	C307 A308 F316	C307-M311 VanDerWaalsContact O-CB 3.31Å; C307-M311 WeakPolarHBondContact O-CB 3.38Å; C307-M311 PolarHBondContact O-N 3.12Å; C307-M311 VanDerWaalsContact O-N 3.13Å; A308-M311 WeakPolarHBondContact O-CB 3.49Å; A308-M311 PolarHBondContact O-N 3.34Å; A308-M311 VanDerWaalsContact O-N 3.1Å; M311-F316 HydrophobicContact CE-CD2 4.07Å; M311-F316 HydrophobicContact CE-CE2 3.82Å; M311-F316 HydrophobicContact SD-CD2 3.53Å; M311-F316 VanDerWaalsContact SD-CD2 3.53Å; M311-F316 HydrophobicContact SD-CE2 3.32Å; M311-F316 WeakPolarHBondContact SD-CE2 3.46Å; M311-F316 HydrophobicContact SD-CG 4.36Å; M311-F316 HydrophobicContact SD-CZ 3.99Å
312	E	98.9	Very high	98.8	Very high	153 Å²	153	59.4 Å²	59.4	72%	0.715	32%	0.321	S	S	*	.	H	α-helix	trans	-82.3	-25.8	176.7	-67.8	175	152.2	0	0	113.1	A308	A308-E312 WeakPolarHBondContact O-CG 3.39Å; A308-E312 PolarHBondContact O-N 3.43Å
313	G	98.6	Very high	98.8	Very high	16 Å²	16	60.2 Å²	60.2	17%	0.165	33%	0.326	C	S	.	.	S	Bend	trans	-86.4	170.6	-172.2	0	0	0	0	0	115.2	R309 A315 F316	R309-G313 WeakPolarHBondContact O-CA 3.25Å; R309-G313 PolarHBondContact O-N 3.15Å; G313-A315 PolarHBondContact O-N 3.2Å; G313-A315 VanDerWaalsContact O-N 3.11Å; G313-F316 PolarHBondContact O-N 3.2Å; G313-F316 VanDerWaalsContact O-N 3.15Å
314	P	98.6	Very high	98.7	Very high	78 Å²	78	61.4 Å²	61.4	51%	0.506	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.5	-178.5	26.9	-37	0	0	0	114	E281 M285 F316	E281-P314 WeakPolarHBondContact OE2-CD 3.45Å; E281-P314 WeakPolarHBondContact OE2-CG 3.45Å; M285-P314 HydrophobicContact CE-CB 3.72Å; M285-P314 HydrophobicContact CE-CG 3.78Å; P314-F316 VanDerWaalsContact C-N 3.29Å; P314-F316 PolarHBondContact O-N 3.37Å
315	A	98.6	Very high	98.7	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-16.3	177.7	0	0	0	0	0	114.1	E281 V284 M285 I310 G313 N317 F318	E281-A315 HydrophobicContact CB-CB 3.97Å; E281-A315 HydrophobicContact CG-CB 3.88Å; V284-A315 HydrophobicContact CB-CB 4.26Å; V284-A315 HydrophobicContact CG1-CB 4.13Å; M285-A315 HydrophobicContact CE-CB 4.1Å; M285-A315 HydrophobicContact CG-CB 4.29Å; I310-A315 HydrophobicContact CD1-CB 4.32Å; G313-A315 PolarHBondContact O-N 3.2Å; G313-A315 VanDerWaalsContact O-N 3.11Å; A315-N317 VanDerWaalsContact C-N 3.31Å; A315-N317 PolarHBondContact O-N 3.07Å; A315-F318 WeakPolarHBondContact O-CB 3.34Å; A315-F318 PolarHBondContact O-N 2.78Å
316	F	98.9	Very high	98.7	Very high	87 Å²	87	60.5 Å²	60.5	38%	0.382	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-53.5	-45.8	-178	172.6	-115.7	0	0	0	113	I310 M311 G313 P314 F318 L319	I310-F316 WeakPolarHBondContact O-CA 3.24Å; I310-F316 WeakPolarHBondContact O-CB 3.38Å; I310-F316 PolarHBondContact O-N 3.16Å; M311-F316 HydrophobicContact CE-CD2 4.07Å; M311-F316 HydrophobicContact CE-CE2 3.82Å; M311-F316 HydrophobicContact SD-CD2 3.53Å; M311-F316 VanDerWaalsContact SD-CD2 3.53Å; M311-F316 HydrophobicContact SD-CE2 3.32Å; M311-F316 WeakPolarHBondContact SD-CE2 3.46Å; M311-F316 HydrophobicContact SD-CG 4.36Å; M311-F316 HydrophobicContact SD-CZ 3.99Å; G313-F316 PolarHBondContact O-N 3.2Å; G313-F316 VanDerWaalsContact O-N 3.15Å; P314-F316 VanDerWaalsContact C-N 3.29Å; P314-F316 PolarHBondContact O-N 3.37Å; F316-F318 PolarHBondContact O-N 3.06Å; F316-L319 HydrophobicContact CD2-CD1 4.47Å; F316-L319 PolarHBondContact O-N 2.87Å; F316-L319 VanDerWaalsContact O-N 3.1Å
317	N	98.6	Very high	98.7	Very high	143 Å²	143	61.7 Å²	61.7	77%	0.765	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-70.2	-1.9	-178.3	-63.5	-52.4	0	0	0	114.1	A315	A315-N317 VanDerWaalsContact C-N 3.31Å; A315-N317 PolarHBondContact O-N 3.07Å
318	F	98.8	Very high	98.7	Very high	90 Å²	90	60.4 Å²	60.4	40%	0.395	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-103.2	-4.7	175.1	-66.4	-103.7	0	0	0	112.5	M285 N288 A315 F316 D320	M285-F318 HydrophobicContact CB-CD1 4.02Å; M285-F318 HydrophobicContact CB-CE1 4.25Å; M285-F318 HydrophobicContact CB-CG 4.17Å; M285-F318 HydrophobicContact CE-CE2 4.38Å; M285-F318 HydrophobicContact CG-CB 4.42Å; M285-F318 HydrophobicContact CG-CD1 4.13Å; M285-F318 HydrophobicContact CG-CD2 3.75Å; M285-F318 HydrophobicContact CG-CE1 4.31Å; M285-F318 HydrophobicContact CG-CE2 3.95Å; M285-F318 HydrophobicContact CG-CG 3.85Å; M285-F318 HydrophobicContact CG-CZ 4.22Å; M285-F318 HydrophobicContact SD-CE2 4.32Å; N288-F318 VanDerWaalsContact CA-O 3.22Å; N288-F318 WeakPolarHBondContact CA-O 3.35Å; N288-F318 VanDerWaalsContact CB-O 3.29Å; N288-F318 WeakPolarHBondContact CB-O 3.47Å; N288-F318 PolarHBondContact ND2-O 3.5Å; A315-F318 WeakPolarHBondContact O-CB 3.34Å; A315-F318 PolarHBondContact O-N 2.78Å; F316-F318 PolarHBondContact O-N 3.06Å; F318-D320 PolarHBondContact O-N 3.25Å
319	L	98.8	Very high	98.7	Very high	32 Å²	32	61.2 Å²	61.2	17%	0.168	32%	0.321	C	S	.	.			trans	-78.1	112	178.5	-75.7	174.5	0	0	0	111.8	V284 N288 L290 I310 F316 A321 V323	V284-L319 HydrophobicContact CG1-CD2 3.61Å; V284-L319 HydrophobicContact CG1-CG 4.1Å; N288-L319 WeakPolarHBondContact O-CA 3.38Å; L290-L319 HydrophobicContact CB-CD2 4.33Å; I310-L319 HydrophobicContact CG2-CD1 3.9Å; F316-L319 HydrophobicContact CD2-CD1 4.47Å; F316-L319 PolarHBondContact O-N 2.87Å; F316-L319 VanDerWaalsContact O-N 3.1Å; L319-A321 VanDerWaalsContact C-N 3.31Å; L319-V323 HydrophobicContact CD1-CG2 3.65Å; L319-V323 HydrophobicContact CD2-CG2 4.31Å
320	D	98.8	Very high	98.7	Very high	122 Å²	122	61.1 Å²	61.1	65%	0.652	33%	0.327	S	S	*	.	S	Bend	trans	-79.6	-16.7	171	-72.7	-30.2	0	0	0	112	N288 F318	N288-D320 HydrophobicContact CB-CB 4.19Å; N288-D320 VanDerWaalsContact CB-OD2 3.29Å; N288-D320 WeakPolarHBondContact CB-OD2 3.37Å; N288-D320 PolarHBondContact O-N 3.37Å; F318-D320 PolarHBondContact O-N 3.25Å
321	A	98.7	Very high	98.6	Very high	15 Å²	15	64.7 Å²	64.7	12%	0.124	35%	0.345	C	S	.	.	S	Bend	trans	-139.4	152.1	177.3	0	0	0	0	0	112.2	L319 T357	L319-A321 VanDerWaalsContact C-N 3.31Å; A321-T357 HydrophobicContact CB-CG2 3.89Å; A321-T357 VanDerWaalsContact CB-O 3.3Å; A321-T357 WeakPolarHBondContact CB-O 3.13Å
322	P	98.5	Very high	98.6	Very high	107 Å²	107	64 Å²	64	70%	0.695	35%	0.349	S	S	*	.			trans	-65	138.2	175.4	28	-35.5	0	0	0	111.7	T324	P322-T324 PolarHBondContact O-N 2.89Å
323	V	98.4	Very high	98.6	Very high	26 Å²	26	57.7 Å²	57.7	16%	0.158	32%	0.319	C	S	.	.			trans	-57.6	127.2	177.8	-173.1	0	0	0	0	110.7	L290 T292 C307 I310 L319	L290-V323 HydrophobicContact CB-CG1 4Å; L290-V323 HydrophobicContact CB-CG2 4.18Å; L290-V323 HydrophobicContact CD2-CG1 3.66Å; L290-V323 HydrophobicContact CD2-CG2 4.02Å; L290-V323 HydrophobicContact CG-CG1 3.72Å; L290-V323 HydrophobicContact CG-CG2 4.49Å; T292-V323 HydrophobicContact CG2-CG1 4.3Å; C307-V323 WeakPolarHBondContact SG-CG1 3.46Å; I310-V323 HydrophobicContact CG2-CG2 4.3Å; L319-V323 HydrophobicContact CD1-CG2 3.65Å; L319-V323 HydrophobicContact CD2-CG2 4.31Å
324	T	98.3	Very high	98.6	Very high	26 Å²	26	58.2 Å²	58.2	16%	0.16	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	153.6	176	60.3	0	0	0	0	112.2	L290 V291 T292 P322 S353 T357	L290-T324 PolarHBondContact O-N 3.24Å; V291-T324 WeakPolarHBondContact CA-O 3.19Å; V291-T324 WeakPolarHBondContact CG2-OG1 3.34Å; T292-T324 PolarHBondContact N-O 2.81Å; P322-T324 PolarHBondContact O-N 2.89Å; T324-S353 WeakPolarHBondContact CB-OG 3.15Å; T324-S353 PolarHBondContact OG1-OG 3.25Å; T324-T357 WeakPolarHBondContact CG2-OG1 3.24Å; T324-T357 PolarHBondContact OG1-OG1 3.21Å
325	R	98.9	Very high	98.6	Very high	90 Å²	90	62.7 Å²	62.7	34%	0.34	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	132.1	-177.8	-51.5	-164.4	-66	133.1	-3.9	110.6	T292 P298 G303 T327	T292-R325 WeakPolarHBondContact O-CA 3.41Å; T292-R325 WeakPolarHBondContact OG1-CG 3.37Å; P298-R325 VanDerWaalsContact O-CZ 3.31Å; P298-R325 PolarHBondContact O-NH1 3.07Å; P298-R325 PolarHBondContact O-NH2 3.14Å; G303-R325 VanDerWaalsContact O-CD 3.31Å; G303-R325 WeakPolarHBondContact O-CD 3.32Å; R325-T327 HydrophobicContact CB-CG2 4.32Å
326	V	98.9	Very high	98.6	Very high	15 Å²	15	65 Å²	65	9%	0.091	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123	171.3	-170.1	0	0	0	0	107.6	V291 T292 V293 E294 P345 D349 I350	V291-V326 HydrophobicContact CG1-CG2 3.98Å; T292-V326 PolarHBondContact O-N 3.08Å; V293-V326 VanDerWaalsContact CA-O 3.32Å; V293-V326 WeakPolarHBondContact CA-O 3.48Å; V293-V326 HydrophobicContact CG1-CB 4.33Å; V293-V326 HydrophobicContact CG2-CB 4.26Å; V293-V326 HydrophobicContact CG2-CG2 4.5Å; E294-V326 PolarHBondContact N-O 2.86Å; V326-P345 HydrophobicContact CG1-CB 3.87Å; V326-P345 HydrophobicContact CG1-CG 4.24Å; V326-D349 HydrophobicContact CG1-CB 4.16Å; V326-I350 HydrophobicContact CG1-CG1 4.42Å
327	T	98.9	Very high	98.5	Very high	29 Å²	29	67.5 Å²	67.5	18%	0.178	36%	0.358	C	S	.	.			trans	-135	172.3	-168.8	65.4	0	0	0	0	111	E294 P298 R325 P345	E294-T327 HydrophobicContact CG-CG2 3.96Å; E294-T327 CarbonylContact O-C 3.27Å; E294-T327 VanDerWaalsContact O-CA 3.27Å; E294-T327 WeakPolarHBondContact O-CA 3.38Å; P298-T327 HydrophobicContact CB-CG2 4.24Å; P298-T327 WeakPolarHBondContact CB-OG1 3.3Å; R325-T327 HydrophobicContact CB-CG2 4.32Å; T327-P345 WeakPolarHBondContact O-CD 3.37Å; T327-P345 WeakPolarHBondContact O-CG 3.38Å
328	G	98.5	Very high	98.5	Very high	3 Å²	3	66.3 Å²	66.3	3%	0.031	35%	0.35	C	S	.	.			trans	-58.3	154.4	154.5	0	0	0	0	0	110.2	E294 G296 P298 S343	E294-G328 PolarHBondContact O-N 2.69Å; G296-G328 WeakPolarHBondContact O-CA 3.38Å; G296-G328 PolarHBondContact O-N 3.03Å; P298-G328 WeakPolarHBondContact CD-O 3.36Å; G328-S343 VanDerWaalsContact CA-O 3.29Å; G328-S343 WeakPolarHBondContact CA-O 3.29Å
329	V	98	Very high	98.5	Very high	58 Å²	58	66.6 Å²	66.6	35%	0.352	36%	0.355	S	S	.	.			trans	-79.7	156.2	178.8	-46.8	0	0	0	0	110.7	I331 N342 S343	V329-I331 HydrophobicContact CG2-CD1 3.75Å; V329-I331 HydrophobicContact CG2-CG1 3.71Å; V329-I331 PolarHBondContact O-N 3.04Å; V329-N342 WeakPolarHBondContact CG1-O 3.38Å; V329-S343 PolarHBondContact N-O 3.22Å
330	D	98.6	Very high	98.5	Very high	86 Å²	86	66 Å²	66	46%	0.46	35%	0.352	S	S	.	.	S	Bend	trans	-80.2	54.8	-167.1	-151.1	20.9	0	0	0	113.6	P298 Q299	P298-D330 HydrophobicContact CG-CB 3.68Å; Q299-D330 PolarHBondContact NE2-OD2 2.91Å
331	I	98.4	Very high	98.4	Very high	76 Å²	76	64.2 Å²	64.2	39%	0.39	34%	0.339	S	S	.	.	S	Bend	trans	-139.7	157	179.7	72.2	-173.7	0	0	0	112	W297 V329 P334	W297-I331 PolarHBondContact NE1-O 3.22Å; V329-I331 HydrophobicContact CG2-CD1 3.75Å; V329-I331 HydrophobicContact CG2-CG1 3.71Å; V329-I331 PolarHBondContact O-N 3.04Å; I331-P334 HydrophobicContact CD1-CG 4.17Å
332	P	98.7	Very high	98.4	Very high	93 Å²	93	67.4 Å²	67.4	60%	0.604	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-64.3	133.9	162.8	-16.1	30.5	0	0	0	110.6	A157 P334	A157-P332 HydrophobicContact CB-CB 3.7Å; P332-P334 WeakPolarHBondContact O-CD 3.5Å
333	M	98.6	Very high	98.4	Very high	19 Å²	19	62.6 Å²	62.6	9%	0.094	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-57.3	120.1	-168.5	-171.5	62	73.2	0	0	113.6	A151 A156 A157 E340 S343 L344	A151-M333 HydrophobicContact CB-CE 3.94Å; A156-M333 CarbonylContact C-O 3.41Å; A156-M333 WeakPolarHBondContact CA-O 3.38Å; A157-M333 WeakPolarHBondContact CA-O 3.39Å; A157-M333 PolarHBondContact N-O 2.62Å; M333-E340 HydrophobicContact CG-CG 4.39Å; M333-E340 HydrophobicContact SD-CB 4.46Å; M333-E340 HydrophobicContact SD-CG 3.93Å; M333-S343 VanDerWaalsContact SD-CB 3.52Å; M333-L344 HydrophobicContact CE-CD1 4.23Å; M333-L344 HydrophobicContact CE-CD2 3.58Å; M333-L344 HydrophobicContact CE-CG 3.75Å
334	P	98.3	Very high	98.4	Very high	27 Å²	27	62.1 Å²	62.1	18%	0.175	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-77	145.8	177.4	30.3	-34.7	0	0	0	112.3	I331 P332 L339 S343	I331-P334 HydrophobicContact CD1-CG 4.17Å; P332-P334 WeakPolarHBondContact O-CD 3.5Å; P334-L339 HydrophobicContact CB-CB 3.82Å; P334-L339 HydrophobicContact CB-CD1 4.12Å; P334-L339 HydrophobicContact CG-CB 3.43Å; P334-L339 VanDerWaalsContact CG-CB 3.43Å; P334-S343 WeakPolarHBondContact CD-OG 3.38Å
335	Y	98.3	Very high	98.4	Very high	172 Å²	172	61 Å²	61	68%	0.675	31%	0.313	S	S	*	.	S	Bend	trans	-72.7	-31.7	178.3	174.4	-104	0	0	0	114.4	G154 K337	G154-Y335 WeakPolarHBondContact O-CD2 3.39Å; G154-Y335 VanDerWaalsContact O-CE2 3.27Å; G154-Y335 WeakPolarHBondContact O-CE2 3.4Å; Y335-K337 PolarHBondContact O-N 2.98Å
336	A	98.3	Very high	98.4	Very high	48 Å²	48	59.6 Å²	59.6	40%	0.397	31%	0.31	S	S	.	.	S	Bend	trans	-70.9	117.5	-172.8	0	0	0	0	0	110.3	I338 L339 E340	A336-I338 VanDerWaalsContact C-N 3.33Å; A336-I338 PolarHBondContact O-N 3.22Å; A336-L339 HydrophobicContact CB-CD1 4.14Å; A336-L339 HydrophobicContact CB-CG 4.24Å; A336-L339 WeakPolarHBondContact O-CA 3.38Å; A336-L339 WeakPolarHBondContact O-CB 3.14Å; A336-L339 PolarHBondContact O-N 3.46Å; A336-E340 PolarHBondContact O-N 3.42Å
337	K	97.8	Very high	98.3	Very high	140 Å²	140	60.7 Å²	60.7	61%	0.609	32%	0.317	S	S	*	.	H	α-helix	trans	-39.8	-50.9	-171.9	179.1	173.7	173.5	174.6	0	115.4	Y335 L339 E340 E341	Y335-K337 PolarHBondContact O-N 2.98Å; K337-L339 PolarHBondContact O-N 3.03Å; K337-E340 PolarHBondContact O-N 3.09Å; K337-E340 VanDerWaalsContact O-N 3.16Å; K337-E341 WeakPolarHBondContact CE-OE1 3.2Å; K337-E341 HydrophobicContact CG-CG 4.19Å; K337-E341 IonicContact NZ-OE1 3.44Å; K337-E341 PolarHBondContact NZ-OE1 2.76Å; K337-E341 WeakPolarHBondContact O-CB 3.33Å; K337-E341 WeakPolarHBondContact O-CG 3.48Å; K337-E341 PolarHBondContact O-N 3.37Å
338	I	98.3	Very high	98.3	Very high	119 Å²	119	64.6 Å²	64.6	61%	0.61	33%	0.331	S	S	*	.	H	α-helix	trans	-62	-29.4	-179.7	-170.9	171.1	0	0	0	113.4	A336 N342	A336-I338 VanDerWaalsContact C-N 3.33Å; A336-I338 PolarHBondContact O-N 3.22Å; I338-N342 PolarHBondContact O-ND2 3.08Å
339	L	98.4	Very high	98.3	Very high	95 Å²	95	66.9 Å²	66.9	50%	0.497	34%	0.343	S	S	.	.	H	α-helix	trans	-80.5	-41.6	174.7	-53	-177.9	0	0	0	110.6	P334 A336 K337 N342 S343	P334-L339 HydrophobicContact CB-CB 3.82Å; P334-L339 HydrophobicContact CB-CD1 4.12Å; P334-L339 HydrophobicContact CG-CB 3.43Å; P334-L339 VanDerWaalsContact CG-CB 3.43Å; A336-L339 HydrophobicContact CB-CD1 4.14Å; A336-L339 HydrophobicContact CB-CG 4.24Å; A336-L339 WeakPolarHBondContact O-CA 3.38Å; A336-L339 WeakPolarHBondContact O-CB 3.14Å; A336-L339 PolarHBondContact O-N 3.46Å; K337-L339 PolarHBondContact O-N 3.03Å; L339-N342 CarbonylContact O-C 3.6Å; L339-N342 PolarHBondContact O-N 3.19Å; L339-S343 WeakPolarHBondContact O-CB 3.3Å; L339-S343 PolarHBondContact O-N 2.87Å; L339-S343 PolarHBondContact O-OG 2.79Å
340	E	98.2	Very high	98.4	Very high	20 Å²	20	64.1 Å²	64.1	9%	0.093	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-47.8	175.2	-172.1	173.8	-114.9	0	0	111.4	G154 M333 A336 K337 N342 S343	G154-E340 VanDerWaalsContact N-CD 3.27Å; G154-E340 PolarHBondContact N-OE1 2.83Å; G154-E340 PolarHBondContact N-OE2 3.43Å; M333-E340 HydrophobicContact CG-CG 4.39Å; M333-E340 HydrophobicContact SD-CB 4.46Å; M333-E340 HydrophobicContact SD-CG 3.93Å; A336-E340 PolarHBondContact O-N 3.42Å; K337-E340 PolarHBondContact O-N 3.09Å; K337-E340 VanDerWaalsContact O-N 3.16Å; E340-N342 VanDerWaalsContact C-N 3.26Å; E340-N342 PolarHBondContact O-N 3.17Å; E340-S343 WeakPolarHBondContact O-CB 3.08Å; E340-S343 PolarHBondContact O-N 2.67Å
341	E	97.1	Very high	98.4	Very high	84 Å²	84	61.3 Å²	61.3	39%	0.393	31%	0.311	S	S	.	.	H	α-helix	trans	-60.6	-30.1	176.9	-73.7	176.3	147	0	0	113.4	K337 Q346	K337-E341 WeakPolarHBondContact CE-OE1 3.2Å; K337-E341 HydrophobicContact CG-CG 4.19Å; K337-E341 IonicContact NZ-OE1 3.44Å; K337-E341 PolarHBondContact NZ-OE1 2.76Å; K337-E341 WeakPolarHBondContact O-CB 3.33Å; K337-E341 WeakPolarHBondContact O-CG 3.48Å; K337-E341 PolarHBondContact O-N 3.37Å; E341-Q346 VanDerWaalsContact O-CD 3.32Å; E341-Q346 WeakPolarHBondContact O-CG 3.34Å; E341-Q346 PolarHBondContact O-NE2 3.18Å
342	N	98.3	Very high	98.4	Very high	82 Å²	82	64.6 Å²	64.6	44%	0.439	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.8	8.4	175.3	-66.7	-81.9	0	0	0	113.1	V329 I338 L339 E340 K348	V329-N342 WeakPolarHBondContact CG1-O 3.38Å; I338-N342 PolarHBondContact O-ND2 3.08Å; L339-N342 CarbonylContact O-C 3.6Å; L339-N342 PolarHBondContact O-N 3.19Å; E340-N342 VanDerWaalsContact C-N 3.26Å; E340-N342 PolarHBondContact O-N 3.17Å; N342-K348 PolarHBondContact OD1-NZ 3.45Å
343	S	98.6	Very high	98.4	Very high	7 Å²	7	60.7 Å²	60.7	5%	0.049	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-8.2	172.1	-62.1	0	0	0	0	113.1	G328 V329 M333 P334 L339 E340	G328-S343 VanDerWaalsContact CA-O 3.29Å; G328-S343 WeakPolarHBondContact CA-O 3.29Å; V329-S343 PolarHBondContact N-O 3.22Å; M333-S343 VanDerWaalsContact SD-CB 3.52Å; P334-S343 WeakPolarHBondContact CD-OG 3.38Å; L339-S343 WeakPolarHBondContact O-CB 3.3Å; L339-S343 PolarHBondContact O-N 2.87Å; L339-S343 PolarHBondContact O-OG 2.79Å; E340-S343 WeakPolarHBondContact O-CB 3.08Å; E340-S343 PolarHBondContact O-N 2.67Å
344	L	98.3	Very high	98.4	Very high	15 Å²	15	59.8 Å²	59.8	8%	0.079	29%	0.293	C	S	.	.	S	Bend	trans	-124.5	146.9	-178.7	-65.4	173.7	0	0	0	110.9	A151 F246 M333 Q346	A151-L344 HydrophobicContact CB-CD1 3.7Å; A151-L344 HydrophobicContact CB-CD2 3.87Å; A151-L344 HydrophobicContact CB-CG 4.36Å; F246-L344 HydrophobicContact CZ-CB 4.41Å; F246-L344 HydrophobicContact CZ-CD2 4.35Å; M333-L344 HydrophobicContact CE-CD1 4.23Å; M333-L344 HydrophobicContact CE-CD2 3.58Å; M333-L344 HydrophobicContact CE-CG 3.75Å; L344-Q346 PolarHBondContact O-N 3.4Å; L344-Q346 PolarHBondContact O-NE2 2.89Å
345	P	98.5	Very high	98.5	Very high	2 Å²	2	60.9 Å²	60.9	1%	0.013	30%	0.295	C	S	.	.			trans	-51.9	122.4	176	-25	30.3	0	0	0	112.8	F246 H249 V293 E294 V326 T327	F246-P345 HydrophobicContact CD1-CB 3.84Å; F246-P345 HydrophobicContact CD1-CG 3.99Å; F246-P345 HydrophobicContact CE1-CB 3.82Å; F246-P345 HydrophobicContact CE1-CG 3.83Å; F246-P345 WeakPolarHBondContact CE1-O 3.43Å; F246-P345 HydrophobicContact CZ-CG 4.47Å; H249-P345 PolarHBondContact CD2-O 2.94Å; V293-P345 HydrophobicContact CG1-CB 4.21Å; V293-P345 HydrophobicContact CG1-CG 4.45Å; E294-P345 WeakPolarHBondContact O-CG 3.46Å; V326-P345 HydrophobicContact CG1-CB 3.87Å; V326-P345 HydrophobicContact CG1-CG 4.24Å; T327-P345 WeakPolarHBondContact O-CD 3.37Å; T327-P345 WeakPolarHBondContact O-CG 3.38Å
346	Q	98.7	Very high	98.5	Very high	61 Å²	61	59.5 Å²	59.5	29%	0.285	29%	0.293	S	S	.	.			trans	-100.2	160	168.9	-53.4	-58.2	-61.6	0	0	110	E341 L344 K348 D349 I350	E341-Q346 VanDerWaalsContact O-CD 3.32Å; E341-Q346 WeakPolarHBondContact O-CG 3.34Å; E341-Q346 PolarHBondContact O-NE2 3.18Å; L344-Q346 PolarHBondContact O-N 3.4Å; L344-Q346 PolarHBondContact O-NE2 2.89Å; Q346-K348 HydrophobicContact CB-CD 4.22Å; Q346-K348 HydrophobicContact CB-CG 3.57Å; Q346-K348 PolarHBondContact O-N 2.7Å; Q346-K348 VanDerWaalsContact O-N 3.15Å; Q346-D349 WeakPolarHBondContact CA-OD2 3.37Å; Q346-D349 VanDerWaalsContact CB-OD2 3.25Å; Q346-D349 WeakPolarHBondContact CB-OD2 3.26Å; Q346-D349 PolarHBondContact N-OD2 3.46Å; Q346-D349 WeakPolarHBondContact O-CB 3.31Å; Q346-D349 PolarHBondContact O-N 2.84Å; Q346-I350 PolarHBondContact O-N 3.32Å
347	V	98.8	Very high	98.5	Very high	39 Å²	39	57.8 Å²	57.8	24%	0.236	28%	0.277	C	S	.	.	H	α-helix	trans	-54.1	-36.3	177.7	177.9	0	0	0	0	111.9	H249 D252 A253 D349 I350 I351	H249-V347 HydrophobicContact CB-CG2 4.15Å; D252-V347 HydrophobicContact CB-CG1 4.1Å; D252-V347 HydrophobicContact CB-CG2 3.8Å; A253-V347 HydrophobicContact CB-CG1 4.08Å; V347-D349 VanDerWaalsContact C-N 3.28Å; V347-D349 PolarHBondContact O-N 3.33Å; V347-I350 PolarHBondContact O-N 3.32Å; V347-I351 HydrophobicContact CG1-CD1 3.87Å; V347-I351 HydrophobicContact CG1-CG1 4.44Å; V347-I351 VanDerWaalsContact O-CG1 3.28Å; V347-I351 WeakPolarHBondContact O-CG1 3.35Å; V347-I351 PolarHBondContact O-N 3.21Å
348	K	98.6	Very high	98.5	Very high	110 Å²	110	52.8 Å²	52.8	48%	0.478	26%	0.257	S	S	.	.	H	α-helix	trans	-55.5	-36.7	172.9	50.9	155.2	-170.9	173.7	0	113.7	N342 Q346 F352	N342-K348 PolarHBondContact OD1-NZ 3.45Å; Q346-K348 HydrophobicContact CB-CD 4.22Å; Q346-K348 HydrophobicContact CB-CG 3.57Å; Q346-K348 PolarHBondContact O-N 2.7Å; Q346-K348 VanDerWaalsContact O-N 3.15Å; K348-F352 WeakPolarHBondContact O-CB 3.48Å; K348-F352 PolarHBondContact O-N 3Å
349	D	98.8	Very high	98.5	Very high	51 Å²	51	54.2 Å²	54.2	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-83	-33.9	-172.1	-47.7	-48.8	0	0	0	110.4	V326 Q346 V347 F352 S353	V326-D349 HydrophobicContact CG1-CB 4.16Å; Q346-D349 WeakPolarHBondContact CA-OD2 3.37Å; Q346-D349 VanDerWaalsContact CB-OD2 3.25Å; Q346-D349 WeakPolarHBondContact CB-OD2 3.26Å; Q346-D349 PolarHBondContact N-OD2 3.46Å; Q346-D349 WeakPolarHBondContact O-CB 3.31Å; Q346-D349 PolarHBondContact O-N 2.84Å; V347-D349 VanDerWaalsContact C-N 3.28Å; V347-D349 PolarHBondContact O-N 3.33Å; D349-F352 PolarHBondContact O-N 2.99Å; D349-S353 PolarHBondContact O-N 2.9Å
350	I	98.9	Very high	98.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.8	-48.5	169.5	-55.3	170.8	0	0	0	109.9	L240 H249 A253 V293 V326 Q346 V347 F352 S353 V354	L240-I350 HydrophobicContact CD1-CG2 4.22Å; H249-I350 HydrophobicContact CB-CD1 3.67Å; A253-I350 HydrophobicContact CB-CB 3.95Å; A253-I350 HydrophobicContact CB-CG2 3.63Å; V293-I350 HydrophobicContact CG1-CD1 3.87Å; V293-I350 HydrophobicContact CG1-CG1 4.01Å; V293-I350 HydrophobicContact CG2-CD1 4.35Å; V293-I350 HydrophobicContact CG2-CG1 4.1Å; V293-I350 HydrophobicContact CG2-CG2 4.2Å; V326-I350 HydrophobicContact CG1-CG1 4.42Å; Q346-I350 PolarHBondContact O-N 3.32Å; V347-I350 PolarHBondContact O-N 3.32Å; I350-F352 VanDerWaalsContact C-N 3.34Å; I350-F352 PolarHBondContact O-N 3.31Å; I350-S353 PolarHBondContact O-N 3.24Å; I350-V354 WeakPolarHBondContact O-CG2 3.43Å; I350-V354 PolarHBondContact O-N 3.36Å
351	I	98.9	Very high	98.3	Very high	28 Å²	28	57.6 Å²	57.6	14%	0.144	29%	0.289	C	S	.	.	H	α-helix	trans	-58.4	-45.8	175.8	-68.2	169	0	0	0	110.8	A253 V256 L257 V347 S353 V354 K355	A253-I351 HydrophobicContact CB-CG1 3.86Å; V256-I351 HydrophobicContact CB-CD1 3.84Å; V256-I351 HydrophobicContact CG1-CD1 3.87Å; V256-I351 HydrophobicContact CG2-CD1 4.21Å; L257-I351 HydrophobicContact CD1-CG1 4.21Å; L257-I351 HydrophobicContact CD2-CG2 4.16Å; L257-I351 HydrophobicContact CG-CG1 4.22Å; L257-I351 HydrophobicContact CG-CG2 4.46Å; V347-I351 HydrophobicContact CG1-CD1 3.87Å; V347-I351 HydrophobicContact CG1-CG1 4.44Å; V347-I351 VanDerWaalsContact O-CG1 3.28Å; V347-I351 WeakPolarHBondContact O-CG1 3.35Å; V347-I351 PolarHBondContact O-N 3.21Å; I351-S353 PolarHBondContact O-N 3Å; I351-V354 PolarHBondContact O-N 2.85Å; I351-K355 HydrophobicContact CG2-CD 4.35Å; I351-K355 HydrophobicContact CG2-CG 4.47Å; I351-K355 WeakPolarHBondContact O-CB 3.35Å; I351-K355 WeakPolarHBondContact O-CG 3.27Å; I351-K355 PolarHBondContact O-N 3.05Å
352	F	98.8	Very high	98.3	Very high	144 Å²	144	56.2 Å²	56.2	63%	0.632	28%	0.283	S	S	*	.	H	α-helix	trans	-59.4	-43.7	176.2	175.6	-98.7	0	0	0	112.2	K348 D349 I350 K355 K356	K348-F352 WeakPolarHBondContact O-CB 3.48Å; K348-F352 PolarHBondContact O-N 3Å; D349-F352 PolarHBondContact O-N 2.99Å; I350-F352 VanDerWaalsContact C-N 3.34Å; I350-F352 PolarHBondContact O-N 3.31Å; F352-K355 PolarHBondContact O-N 2.69Å; F352-K356 HydrophobicContact CE1-CD 4.38Å; F352-K356 VanDerWaalsContact O-CB 3.28Å; F352-K356 WeakPolarHBondContact O-CB 3.38Å; F352-K356 PolarHBondContact O-N 2.76Å
353	S	98.8	Very high	98.3	Very high	12 Å²	12	54.8 Å²	54.8	8%	0.084	27%	0.274	C	S	.	.	H	α-helix	trans	-67.4	-38.4	179.1	-151.6	0	0	0	0	112.3	T324 D349 I350 I351 T357	T324-S353 WeakPolarHBondContact CB-OG 3.15Å; T324-S353 PolarHBondContact OG1-OG 3.25Å; D349-S353 PolarHBondContact O-N 2.9Å; I350-S353 PolarHBondContact O-N 3.24Å; I351-S353 PolarHBondContact O-N 3Å; S353-T357 WeakPolarHBondContact O-CB 3.4Å; S353-T357 PolarHBondContact O-N 3.35Å; S353-T357 PolarHBondContact O-OG1 2.82Å
354	V	98.8	Very high	98.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-62	-52.3	172.9	170.6	0	0	0	0	111	V238 L240 L257 V262 V291 I350 I351 K356 T357 L358	V238-V354 HydrophobicContact CG1-CG1 3.87Å; V238-V354 HydrophobicContact CG1-CG2 4.29Å; L240-V354 HydrophobicContact CD2-CG2 3.6Å; L257-V354 HydrophobicContact CD1-CB 3.87Å; L257-V354 HydrophobicContact CD1-CG1 3.8Å; L257-V354 HydrophobicContact CD1-CG2 3.95Å; L257-V354 HydrophobicContact CD2-CG1 4.17Å; V262-V354 HydrophobicContact CG1-CG1 3.96Å; V291-V354 HydrophobicContact CG2-CG2 4.1Å; I350-V354 WeakPolarHBondContact O-CG2 3.43Å; I350-V354 PolarHBondContact O-N 3.36Å; I351-V354 PolarHBondContact O-N 2.85Å; V354-K356 VanDerWaalsContact C-N 3.29Å; V354-K356 PolarHBondContact O-N 2.9Å; V354-T357 WeakPolarHBondContact O-CA 3.34Å; V354-T357 PolarHBondContact O-N 3.24Å; V354-L358 HydrophobicContact CG1-CD1 3.66Å; V354-L358 HydrophobicContact CG1-CG 4.29Å; V354-L358 PolarHBondContact O-N 2.76Å
355	K	98.7	Very high	98.3	Very high	50 Å²	50	60.3 Å²	60.3	22%	0.217	30%	0.301	C	S	.	.	H	α-helix	trans	-58.1	-40.5	179.4	-76.4	-161.7	179.9	-165.9	0	112.7	L257 E260 I351 F352 N359 V360	L257-K355 HydrophobicContact CD2-CG 4.24Å; E260-K355 WeakPolarHBondContact OE1-CE 3.21Å; E260-K355 IonicContact OE1-NZ 3.17Å; E260-K355 PolarHBondContact OE1-NZ 3.29Å; E260-K355 IonicContact OE2-NZ 3.85Å; E260-K355 PolarHBondContact OE2-NZ 3.1Å; I351-K355 HydrophobicContact CG2-CD 4.35Å; I351-K355 HydrophobicContact CG2-CG 4.47Å; I351-K355 WeakPolarHBondContact O-CB 3.35Å; I351-K355 WeakPolarHBondContact O-CG 3.27Å; I351-K355 PolarHBondContact O-N 3.05Å; F352-K355 PolarHBondContact O-N 2.69Å; K355-N359 VanDerWaalsContact O-CA 3.31Å; K355-N359 WeakPolarHBondContact O-CA 3.24Å; K355-N359 PolarHBondContact O-N 3.49Å; K355-V360 VanDerWaalsContact CB-O 3.27Å; K355-V360 WeakPolarHBondContact CB-O 3.19Å; K355-V360 HydrophobicContact CG-CG2 4.31Å; K355-V360 PolarHBondContact O-N 2.94Å; K355-V360 VanDerWaalsContact O-N 3.12Å
356	K	98.4	Very high	98.3	Very high	143 Å²	143	64.1 Å²	64.1	62%	0.622	32%	0.32	S	S	*	.	H	α-helix	trans	-65	-35.7	172.4	-175.6	-178.3	176	-172.8	0	113.2	F352 V354	F352-K356 HydrophobicContact CE1-CD 4.38Å; F352-K356 VanDerWaalsContact O-CB 3.28Å; F352-K356 WeakPolarHBondContact O-CB 3.38Å; F352-K356 PolarHBondContact O-N 2.76Å; V354-K356 VanDerWaalsContact C-N 3.29Å; V354-K356 PolarHBondContact O-N 2.9Å
357	T	98.5	Very high	98.3	Very high	11 Å²	11	64.4 Å²	64.4	7%	0.067	32%	0.322	C	S	.	.	H	α-helix	trans	-76.4	-33.4	-179	-54.8	0	0	0	0	111.7	H289 A321 T324 S353 V354	H289-T357 HydrophobicContact CB-CG2 4.12Å; A321-T357 HydrophobicContact CB-CG2 3.89Å; A321-T357 VanDerWaalsContact CB-O 3.3Å; A321-T357 WeakPolarHBondContact CB-O 3.13Å; T324-T357 WeakPolarHBondContact CG2-OG1 3.24Å; T324-T357 PolarHBondContact OG1-OG1 3.21Å; S353-T357 WeakPolarHBondContact O-CB 3.4Å; S353-T357 PolarHBondContact O-N 3.35Å; S353-T357 PolarHBondContact O-OG1 2.82Å; V354-T357 WeakPolarHBondContact O-CA 3.34Å; V354-T357 PolarHBondContact O-N 3.24Å
358	L	98.4	Very high	98.2	Very high	36 Å²	36	66.3 Å²	66.3	19%	0.188	33%	0.329	C	S	.	.	H	α-helix	trans	-92.3	-9.2	177.1	-62.9	176.9	0	0	0	114.1	H237 V238 V262 H289 V354 V360	H237-L358 HydrophobicContact CB-CD1 4.47Å; H237-L358 WeakPolarHBondContact O-CD2 3.46Å; V238-L358 HydrophobicContact CB-CD1 4.39Å; V238-L358 HydrophobicContact CB-CD2 4.42Å; V238-L358 HydrophobicContact CG1-CD1 4.37Å; V262-L358 HydrophobicContact CG1-CD1 3.44Å; V262-L358 VanDerWaalsContact CG1-CD1 3.44Å; V262-L358 HydrophobicContact CG2-CD1 4.26Å; H289-L358 HydrophobicContact CB-CD2 4.11Å; V354-L358 HydrophobicContact CG1-CD1 3.66Å; V354-L358 HydrophobicContact CG1-CG 4.29Å; V354-L358 PolarHBondContact O-N 2.76Å; L358-V360 HydrophobicContact CB-CG2 3.99Å
359	N	97.3	Very high	98.2	Very high	148 Å²	148	62.7 Å²	62.7	79%	0.791	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.7	54	-176.4	-167.9	86.9	0	0	0	113.4	K355	K355-N359 VanDerWaalsContact O-CA 3.31Å; K355-N359 WeakPolarHBondContact O-CA 3.24Å; K355-N359 PolarHBondContact O-N 3.49Å
360	V	93.9	Very high	98.1	Very high	129 Å²	129	63.7 Å²	63.7	78%	0.782	32%	0.321	S	S	*	.			trans	-134.5	0	180	-63.9	0	0	0	0	113.8	V262 K355 L358	V262-V360 HydrophobicContact CG2-CG2 4.42Å; K355-V360 VanDerWaalsContact CB-O 3.27Å; K355-V360 WeakPolarHBondContact CB-O 3.19Å; K355-V360 HydrophobicContact CG-CG2 4.31Å; K355-V360 PolarHBondContact O-N 2.94Å; K355-V360 VanDerWaalsContact O-N 3.12Å; L358-V360 HydrophobicContact CB-CG2 3.99Å

Retrieved 360 of 360 residues in 198.7 ms (Link to these results)

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