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Dihydrolipoyl dehydrogenase

Lipoamide dehydrogenase is a component of the glycine cleavage system as well as an E3 component of three alpha-ketoacid dehydrogenase complexes (pyruvate-, alpha-ketoglutarate-, and branched-chain amino acid-dehydrogenase complex). The 2-oxoglutarate dehydrogenase complex is mainly active in the mitochondrion. A fraction of the 2-oxoglutarate dehydrogenase complex also localizes in the nucleus and is required for lysine succinylation of histones: associates with KAT2A on chromatin and provides succinyl-CoA to histone succinyltransferase KAT2A. In monomeric form may have additional moonlighting function as serine protease. Involved in the hyperactivation of spermatazoa during capacitation and in the spermatazoal acrosome reaction.

AlphaFold DB , UniProt , Accession A0A2K5Y880, Species MANLE (Mandrillus leucophaeus, Drill), Gene DLD, Length 509 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	31	Very low	33.8	Very low	248 Å²	248	163.6 Å²	163.6	100%	1.222	83%	0.828	S	S	*	*				0	155.3	0	-71	169.2	175.4	0	0	108.5
2	Q	35	Very low	33.8	Very low	191 Å²	191	156.8 Å²	156.8	89%	0.893	82%	0.815	S	S	*	*			trans	-105.2	158.4	-167.9	-63.8	161.3	-46.4	0	0	112.5
3	S	31.2	Very low	33.7	Very low	120 Å²	120	158.7 Å²	158.7	84%	0.839	81%	0.813	S	S	*	*			trans	-150.1	149.9	141.7	-170.3	0	0	0	0	109
4	W	34.6	Very low	33.6	Very low	207 Å²	207	164.8 Å²	164.8	78%	0.784	82%	0.821	S	S	*	*			trans	-159.1	139.6	-162.8	-118.8	71.9	0	0	0	111.6
5	S	39.3	Very low	33.3	Very low	96 Å²	96	158.2 Å²	158.2	67%	0.671	81%	0.811	S	S	*	*			trans	60.9	166.4	158.2	60.6	0	0	0	0	117.5
6	R	38.5	Very low	33.2	Very low	220 Å²	220	161.1 Å²	161.1	83%	0.83	82%	0.82	S	S	*	*			cis	-167.5	178.1	-16.5	-106.7	171	-176	-176.1	1.2	105.5
7	V	37.8	Very low	33.1	Very low	113 Å²	113	163.1 Å²	163.1	69%	0.685	82%	0.822	S	S	*	*			cis	171.9	135.2	-38.1	143.4	0	0	0	0	105
8	Y	28.7	Very low	33	Very low	237 Å²	237	162.8 Å²	162.8	93%	0.929	82%	0.823	S	S	*	*			trans	-170.7	174.1	150.6	-103.1	-61.1	0	0	0	113.7
9	C	32.5	Very low	33.1	Very low	121 Å²	121	165.2 Å²	165.2	82%	0.818	82%	0.821	S	S	*	*			trans	-158.3	-177.2	-166.5	-148.3	0	0	0	0	109
10	S	32.3	Very low	33.1	Very low	82 Å²	82	164.3 Å²	164.3	57%	0.573	82%	0.818	S	S	*	*			cis	-171.5	175.2	18	63.2	0	0	0	0	113
11	L	31.5	Very low	33	Very low	165 Å²	165	161.3 Å²	161.3	86%	0.864	81%	0.813	S	S	*	*			trans	70.9	147.3	157.9	-63	163.8	0	0	0	118
12	A	32.7	Very low	33.2	Very low	81 Å²	81	158.9 Å²	158.9	67%	0.669	80%	0.798	S	S	*	*			cis	-155.7	-131.4	-12.2	0	0	0	0	0	109.6
13	K	32.7	Very low	33	Very low	182 Å²	182	153.7 Å²	153.7	79%	0.791	80%	0.796	S	S	*	*			cis	-171.9	124	3.5	-141.1	167.6	-167.9	172.4	0	111.7
14	R	32.4	Very low	33.3	Very low	244 Å²	244	155.9 Å²	155.9	92%	0.921	80%	0.797	S	S	*	*			trans	67.5	155.8	170.8	-54	169.2	172.9	172.1	-4.9	117.3
15	G	29.9	Very low	33.3	Very low	66 Å²	66	155.2 Å²	155.2	68%	0.68	80%	0.803	S	S	*	*			cis	134.1	114.6	-17.5	0	0	0	0	0	116.6
16	H	31.1	Very low	33.1	Very low	205 Å²	205	154.1 Å²	154.1	95%	0.949	81%	0.807	S	S	*	*			trans	-158.2	169.8	168.3	-113.5	51.1	0	0	0	114.7
17	F	32.2	Very low	33	Very low	194 Å²	194	152.3 Å²	152.3	85%	0.851	81%	0.813	S	S	*	*			trans	-99.9	150.6	-168	-97.2	-107.8	0	0	0	115.4
18	N	31.4	Very low	33	Very low	159 Å²	159	151.7 Å²	151.7	85%	0.85	81%	0.814	S	S	*	*				-162	172.4	123.2	-122.4	-33.6	0	0	0	116.2
19	R	33.8	Very low	33.7	Very low	208 Å²	208	144.8 Å²	144.8	79%	0.785	81%	0.806	S	S	*	*			trans	-96.8	159.9	-155.1	-88.5	175.7	165.9	-166.4	-3	118.4
20	I	34.3	Very low	33.9	Very low	147 Å²	147	144.4 Å²	144.4	75%	0.754	80%	0.799	S	S	*	*			trans	73.2	145.9	147.2	-69.8	161.7	0	0	0	115.9
21	S	30.5	Very low	34.2	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	80%	0.803	S	S	*	*			cis	-143.4	168.2	7.9	26.8	0	0	0	0	114.1
22	H	34.1	Very low	34.5	Very low	197 Å²	197	145.1 Å²	145.1	91%	0.912	80%	0.802	S	S	*	*			trans	-17.3	136.1	169.5	-66.9	-77.2	0	0	0	121.1
23	G	31.3	Very low	34.8	Very low	82 Å²	82	150.8 Å²	150.8	85%	0.845	81%	0.806	S	S	*	*			trans	-156.4	124.3	153.2	0	0	0	0	0	110.4
24	L	37.4	Very low	35.6	Very low	166 Å²	166	148.2 Å²	148.2	87%	0.869	81%	0.806	S	S	*	*			trans	-100.8	135.1	-178.3	-105.6	157.6	0	0	0	110.4
25	Q	35.1	Very low	36.5	Very low	192 Å²	192	146.4 Å²	146.4	90%	0.897	80%	0.8	S	S	*	*			trans	145	151.5	139.8	-80.3	169.8	9	0	0	113.4
26	G	35	Very low	37.8	Very low	74 Å²	74	146.1 Å²	146.1	76%	0.763	79%	0.792	S	S	*	*			trans	96.8	30.4	141.6	0	0	0	0	0	120.1	S28	G26-S28 VanDerWaalsContact C-N 3.29Å; G26-S28 PolarHBondContact O-N 2.7Å
27	L	36.3	Very low	39.8	Very low	182 Å²	182	139.3 Å²	139.3	95%	0.953	76%	0.762	S	S	*	*			trans	-69.9	91.3	160.2	-95.3	172.5	0	0	0	109.8	A29	L27-A29 PolarHBondContact O-N 3.41Å
28	S	37.6	Very low	42.4	Very low	100 Å²	100	137.9 Å²	137.9	70%	0.699	76%	0.758	S	S	*	*			trans	-67.2	100.4	171.6	-173.8	0	0	0	0	109.6	G26 V30	G26-S28 VanDerWaalsContact C-N 3.29Å; G26-S28 PolarHBondContact O-N 2.7Å; S28-V30 VanDerWaalsContact C-N 3.32Å; S28-V30 PolarHBondContact O-N 3.06Å
29	A	43.1	Very low	45.3	Very low	92 Å²	92	133.6 Å²	133.6	76%	0.76	74%	0.739	S	S	*	*			trans	-70	91.9	167.5	0	0	0	0	0	108.5	L27 P31	L27-A29 PolarHBondContact O-N 3.41Å; A29-P31 WeakPolarHBondContact O-CD 3.06Å
30	V	37	Very low	48.4	Very low	113 Å²	113	125.3 Å²	125.3	69%	0.685	71%	0.71	S	S	*	*			trans	-63.7	113.4	171	179.1	0	0	0	0	107.7	S28 L32	S28-V30 VanDerWaalsContact C-N 3.32Å; S28-V30 PolarHBondContact O-N 3.06Å; V30-L32 PolarHBondContact O-N 3.3Å
31	P	38.8	Very low	51.4	Low	100 Å²	100	123.6 Å²	123.6	65%	0.649	70%	0.702	S	S	*	*			trans	-69.8	120.9	173.4	29.4	-31.5	0	0	0	107.7	A29 R33	A29-P31 WeakPolarHBondContact O-CD 3.06Å; P31-R33 PolarHBondContact O-N 3.07Å
32	L	37.7	Very low	54.7	Low	161 Å²	161	119 Å²	119	84%	0.843	67%	0.671	S	S	*	*			trans	-63.9	93.2	159.2	-96.3	82.4	0	0	0	107.3	V30 T34	V30-L32 PolarHBondContact O-N 3.3Å; L32-T34 PolarHBondContact O-N 3.2Å
33	R	40.1	Very low	57.7	Low	200 Å²	200	111.2 Å²	111.2	76%	0.755	64%	0.636	S	S	*	*			trans	-65.4	93.9	156.8	-77.1	-175.3	172	-177.4	-2.8	106.8	P31 Y35	P31-R33 PolarHBondContact O-N 3.07Å; R33-Y35 PolarHBondContact O-N 2.95Å; R33-Y35 VanDerWaalsContact O-N 3.09Å
34	T	49.3	Very low	61	Low	129 Å²	129	107.3 Å²	107.3	79%	0.791	60%	0.596	S	S	*	*			trans	-54.6	112.4	150.5	38.6	0	0	0	0	106.4	L32 A36	L32-T34 PolarHBondContact O-N 3.2Å; T34-A36 PolarHBondContact O-N 3.49Å
35	Y	51	Low	63.9	Low	205 Å²	205	99.4 Å²	99.4	80%	0.804	56%	0.555	S	S	*	*			trans	-68.5	101.4	172.9	-75.7	-94.9	0	0	0	106.9	R33 D37	R33-Y35 PolarHBondContact O-N 2.95Å; R33-Y35 VanDerWaalsContact O-N 3.09Å; Y35-D37 PolarHBondContact O-N 2.65Å
36	A	57.2	Low	66.9	Low	60 Å²	60	90.3 Å²	90.3	50%	0.496	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-62.3	130.7	159.3	0	0	0	0	0	107.2	T34	T34-A36 PolarHBondContact O-N 3.49Å
37	D	72.9	Confident	70	Confident	62 Å²	62	87 Å²	87	33%	0.332	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	147.5	173.5	-74.1	-46.2	0	0	0	109.5	Y35 K166 T171 Q172	Y35-D37 PolarHBondContact O-N 2.65Å; D37-K166 IonicContact OD2-NZ 2.63Å; D37-K166 PolarHBondContact OD2-NZ 2.89Å; D37-T171 PolarHBondContact N-O 3.32Å; D37-Q172 VanDerWaalsContact CB-OE1 3.27Å
38	Q	87.3	Confident	73	Confident	164 Å²	164	78.8 Å²	78.8	77%	0.766	44%	0.436	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.1	138.3	179.7	-68.7	-66.2	-26	0	0	110.2	Q172	Q38-Q172 PolarHBondContact O-NE2 2.9Å
39	P	91.8	Very high	75.9	Confident	70 Å²	70	74 Å²	74	46%	0.455	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	144.6	-179.9	-26.1	34.6	0	0	0	113	V173	P39-V173 WeakPolarHBondContact CA-O 3.27Å; P39-V173 HydrophobicContact CB-CB 4.48Å
40	I	97.9	Very high	78.5	Confident	33 Å²	33	70.2 Å²	70.2	17%	0.169	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	113.2	175.6	-62.6	169.3	0	0	0	108.7	V68 I148 V150 Q172 V173 V174 D175	I40-V68 HydrophobicContact CG2-CG2 3.85Å; I40-I148 HydrophobicContact CD1-CG2 4.44Å; I40-I148 HydrophobicContact CG2-CD1 4.17Å; I40-V150 HydrophobicContact CD1-CG2 4.25Å; I40-Q172 VanDerWaalsContact CD1-CD 3.48Å; I40-Q172 HydrophobicContact CD1-CG 3.95Å; I40-V173 PolarHBondContact N-O 3Å; I40-V174 HydrophobicContact CB-CG2 4.48Å; I40-V174 CarbonylContact O-C 3.58Å; I40-V174 VanDerWaalsContact O-CA 3.32Å; I40-V174 WeakPolarHBondContact O-CA 3.5Å; I40-V174 WeakPolarHBondContact O-CG1 3.32Å; I40-D175 PolarHBondContact O-N 3.28Å
41	D	98.4	Very high	81.5	Confident	111 Å²	111	65.8 Å²	65.8	59%	0.594	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	142.4	167.6	-52.3	-84.7	0	0	0	111.1	K66 D175	D41-K66 VanDerWaalsContact O-CD 3.27Å; D41-K66 WeakPolarHBondContact O-CD 3.38Å; D41-K66 WeakPolarHBondContact O-CE 3.21Å; D41-K66 PolarHBondContact O-NZ 3.23Å; D41-D175 CarbonylContact C-O 3.52Å; D41-D175 VanDerWaalsContact CA-O 3.26Å; D41-D175 WeakPolarHBondContact CA-O 3.28Å
42	A	98.8	Very high	84.3	Confident	7 Å²	7	61.1 Å²	61.1	6%	0.058	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	158	174.6	0	0	0	0	0	112.9	V68 V174 D175 T176 K177	A42-V68 HydrophobicContact CB-CB 4.49Å; A42-V68 HydrophobicContact CB-CG2 3.82Å; A42-V174 HydrophobicContact CB-CG1 4.09Å; A42-D175 PolarHBondContact N-O 3.15Å; A42-T176 VanDerWaalsContact O-CA 3.32Å; A42-T176 WeakPolarHBondContact O-CA 3.46Å; A42-K177 PolarHBondContact O-N 3.05Å; A42-K177 VanDerWaalsContact O-N 3.11Å
43	D	98.9	Very high	87.2	Confident	33 Å²	33	53.5 Å²	53.5	18%	0.176	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-34.3	167.8	-65.8	-62.9	0	0	0	111.6	F65 K66 K177 N178	D43-F65 HydrophobicContact CB-CB 3.85Å; D43-F65 HydrophobicContact CB-CD1 3.67Å; D43-F65 HydrophobicContact CB-CG 4.15Å; D43-K66 PolarHBondContact N-O 3.43Å; D43-K66 VanDerWaalsContact OD2-CB 3.31Å; D43-K66 WeakPolarHBondContact OD2-CB 3.47Å; D43-K66 PolarHBondContact OD2-N 2.86Å; D43-K177 WeakPolarHBondContact OD1-CD 3.47Å; D43-K177 VanDerWaalsContact OD1-CE 3.24Å; D43-K177 WeakPolarHBondContact OD1-CE 3.4Å; D43-K177 IonicContact OD1-NZ 2.65Å; D43-K177 PolarHBondContact OD1-NZ 3.42Å; D43-N178 PolarHBondContact O-N 3.04Å; D43-N178 PolarHBondContact O-ND2 3.06Å
44	V	98.9	Very high	90	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	125.8	178.7	-177.8	0	0	0	0	109.1	V46 A60 F65 T67 V68 N178 M377	V44-V46 HydrophobicContact CG1-CG2 4.12Å; V44-A60 HydrophobicContact CB-CB 4.47Å; V44-A60 HydrophobicContact CG1-CB 4.5Å; V44-A60 HydrophobicContact CG2-CB 4.4Å; V44-F65 HydrophobicContact CG2-CB 4Å; V44-F65 HydrophobicContact CG2-CD1 4.32Å; V44-F65 HydrophobicContact CG2-CD2 3.89Å; V44-F65 HydrophobicContact CG2-CE2 4.41Å; V44-F65 HydrophobicContact CG2-CG 3.83Å; V44-T67 HydrophobicContact CB-CG2 4.39Å; V44-T67 WeakPolarHBondContact O-CA 3.24Å; V44-V68 PolarHBondContact O-N 3.4Å; V44-N178 CarbonylContact C-O 3.58Å; V44-N178 WeakPolarHBondContact CA-O 3.38Å; V44-N178 HydrophobicContact CG2-CB 4.4Å; V44-M377 HydrophobicContact CG1-SD 4.36Å; V44-M377 HydrophobicContact CG2-SD 3.99Å
45	T	98.9	Very high	92.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	112.7	171.1	-55.2	0	0	0	0	109.8	V68 V70 V162 V174 T176 N178 I179 L180	T45-V68 CarbonylContact C-O 3.46Å; T45-V68 WeakPolarHBondContact CA-O 3.42Å; T45-V68 HydrophobicContact CG2-CB 4.29Å; T45-V68 HydrophobicContact CG2-CG1 4.34Å; T45-V70 HydrophobicContact CG2-CG2 4Å; T45-V162 HydrophobicContact CG2-CB 4.15Å; T45-V162 HydrophobicContact CG2-CG2 3.95Å; T45-V174 HydrophobicContact CG2-CB 4.49Å; T45-V174 HydrophobicContact CG2-CG1 4.06Å; T45-V174 WeakPolarHBondContact OG1-CG1 3.21Å; T45-T176 PolarHBondContact N-OG1 3.29Å; T45-T176 WeakPolarHBondContact OG1-CB 3.35Å; T45-T176 WeakPolarHBondContact OG1-CG2 3.47Å; T45-T176 PolarHBondContact OG1-OG1 3.01Å; T45-N178 PolarHBondContact N-O 3.27Å; T45-I179 WeakPolarHBondContact O-CA 3.33Å; T45-L180 PolarHBondContact O-N 3.45Å
46	V	98.9	Very high	94.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132.4	177	-167.7	0	0	0	0	109.7	V44 A57 T67 V68 C69 V70 L180 A182	V44-V46 HydrophobicContact CG1-CG2 4.12Å; V46-A57 HydrophobicContact CB-CB 4.45Å; V46-A57 HydrophobicContact CG2-CB 3.93Å; V46-T67 HydrophobicContact CG2-CG2 4.28Å; V46-V68 PolarHBondContact N-O 3.11Å; V46-C69 WeakPolarHBondContact O-CA 3.44Å; V46-V70 PolarHBondContact O-N 2.89Å; V46-L180 CarbonylContact C-O 3.6Å; V46-L180 WeakPolarHBondContact CA-O 3.16Å; V46-L180 HydrophobicContact CG1-CB 4.36Å; V46-L180 HydrophobicContact CG1-CD2 4.28Å; V46-L180 HydrophobicContact CG1-CG 4.29Å; V46-L180 HydrophobicContact CG2-CB 4.25Å; V46-L180 HydrophobicContact CG2-CD2 4.13Å; V46-A182 HydrophobicContact CG1-CB 4.08Å
47	I	98.9	Very high	96.7	Very high	6 Å²	6	28.7 Å²	28.7	3%	0.031	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	111.4	178.4	-50.2	177.4	0	0	0	109	I156 V162 I179 L180 A182 T183 L322	I47-I156 HydrophobicContact CD1-CD1 4.34Å; I47-I156 HydrophobicContact CD1-CG1 3.75Å; I47-V162 HydrophobicContact CD1-CG1 3.85Å; I47-V162 HydrophobicContact CD1-CG2 3.94Å; I47-V162 HydrophobicContact CG1-CG1 4.25Å; I47-V162 HydrophobicContact CG1-CG2 4.5Å; I47-I179 HydrophobicContact CD1-CG2 3.86Å; I47-I179 HydrophobicContact CG1-CG2 4.36Å; I47-L180 PolarHBondContact N-O 2.85Å; I47-A182 CarbonylContact O-C 3.4Å; I47-A182 WeakPolarHBondContact O-CA 3.22Å; I47-A182 PolarHBondContact O-N 3.23Å; I47-T183 HydrophobicContact CB-CG2 4.38Å; I47-T183 HydrophobicContact CG2-CG2 3.83Å; I47-T183 PolarHBondContact O-N 2.81Å; I47-L322 HydrophobicContact CD1-CD1 3.93Å; I47-L322 HydrophobicContact CG2-CD1 4.06Å
48	G	98.8	Very high	97.9	Very high	8 Å²	8	26.6 Å²	26.6	8%	0.082	15%	0.146	C	C	.	.			trans	99.8	136.2	-172.3	0	0	0	0	0	112.5	G53 V70	G48-G53 WeakPolarHBondContact O-CA 3.31Å; G48-V70 PolarHBondContact N-O 3.11Å
49	S	98.8	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.119	C	C	.	.			trans	-110	21.7	-179.2	73.1	0	0	0	0	113.8	E71 L76 G77 G78	S49-E71 WeakPolarHBondContact CB-OE2 3.36Å; S49-E71 PolarHBondContact N-OE2 2.81Å; S49-E71 WeakPolarHBondContact OG-CG 3.25Å; S49-E71 PolarHBondContact OG-OE2 3.13Å; S49-L76 VanDerWaalsContact OG-CA 3.29Å; S49-L76 WeakPolarHBondContact OG-CA 3.25Å; S49-G77 CarbonylContact O-C 3.54Å; S49-G77 VanDerWaalsContact O-C 3.29Å; S49-G77 WeakPolarHBondContact O-CA 3.35Å; S49-G77 PolarHBondContact O-N 2.97Å; S49-G77 PolarHBondContact OG-N 2.87Å; S49-G78 PolarHBondContact O-N 3.2Å
50	G	98.8	Very high	98.8	Very high	13 Å²	13	17.7 Å²	17.7	13%	0.134	10%	0.098	C	C	.	.	S	Bend	trans	-60.8	174.6	167.1	0	0	0	0	0	112.2	G52 G53 Y54	G50-G52 PolarHBondContact O-N 2.92Å; G50-G53 WeakPolarHBondContact O-CA 3.32Å; G50-G53 PolarHBondContact O-N 3.36Å; G50-Y54 WeakPolarHBondContact O-CD1 3.26Å; G50-Y54 PolarHBondContact O-N 2.89Å
51	P	98.8	Very high	98.9	Very high	19 Å²	19	17.1 Å²	17.1	12%	0.123	10%	0.098	C	C	.	.	H	α-helix	trans	-36.6	-67.2	-175.7	-33.9	36.7	0	0	0	114.9	G53 Y54 V55 C80 A363 A366 E367	P51-G53 VanDerWaalsContact C-N 3.28Å; P51-G53 PolarHBondContact O-N 3.2Å; P51-Y54 WeakPolarHBondContact O-CD1 3.27Å; P51-Y54 PolarHBondContact O-N 3.42Å; P51-V55 WeakPolarHBondContact O-CB 3.41Å; P51-V55 WeakPolarHBondContact O-CG2 3.32Å; P51-V55 PolarHBondContact O-N 2.84Å; P51-V55 VanDerWaalsContact O-N 3.13Å; P51-C80 HydrophobicContact CG-CB 3.51Å; P51-A363 HydrophobicContact CB-CB 4.22Å; P51-A363 HydrophobicContact CG-CB 3.99Å; P51-A366 HydrophobicContact CB-CB 4.48Å; P51-E367 VanDerWaalsContact C-CG 3.43Å; P51-E367 HydrophobicContact CB-CG 3.51Å
52	G	98.8	Very high	98.9	Very high	3 Å²	3	17.6 Å²	17.6	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-57.8	-34.5	176.2	0	0	0	0	0	115.6	G50 A56 I353 A366	G50-G52 PolarHBondContact O-N 2.92Å; G52-A56 WeakPolarHBondContact O-CB 3.47Å; G52-A56 PolarHBondContact O-N 3.02Å; G52-I353 WeakPolarHBondContact O-CD1 3.46Å; G52-A366 VanDerWaalsContact CA-C 3.41Å; G52-A366 WeakPolarHBondContact CA-O 3.48Å
53	G	98.8	Very high	98.9	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.111	C	C	.	.	H	α-helix	trans	-71	-48.3	-178.8	0	0	0	0	0	113.5	G48 G50 P51 A57 A182	G48-G53 WeakPolarHBondContact O-CA 3.31Å; G50-G53 WeakPolarHBondContact O-CA 3.32Å; G50-G53 PolarHBondContact O-N 3.36Å; P51-G53 VanDerWaalsContact C-N 3.28Å; P51-G53 PolarHBondContact O-N 3.2Å; G53-A57 VanDerWaalsContact O-CB 3.32Å; G53-A57 WeakPolarHBondContact O-CB 3.45Å; G53-A57 PolarHBondContact O-N 2.81Å; G53-A182 VanDerWaalsContact CA-CB 3.4Å
54	Y	98.9	Very high	98.9	Very high	46 Å²	46	22 Å²	22	18%	0.18	13%	0.134	C	C	.	.	H	α-helix	trans	-72.5	-36.2	-179.7	87.4	-100.8	0	0	0	111.7	G50 P51 A57 I58 I138 E367	G50-Y54 WeakPolarHBondContact O-CD1 3.26Å; G50-Y54 PolarHBondContact O-N 2.89Å; P51-Y54 WeakPolarHBondContact O-CD1 3.27Å; P51-Y54 PolarHBondContact O-N 3.42Å; Y54-A57 PolarHBondContact O-N 3.05Å; Y54-I58 HydrophobicContact CD2-CD1 4.01Å; Y54-I58 WeakPolarHBondContact O-CG1 3.47Å; Y54-I58 PolarHBondContact O-N 3.06Å; Y54-I58 VanDerWaalsContact O-N 3.11Å; Y54-I138 HydrophobicContact CD1-CD1 3.74Å; Y54-I138 HydrophobicContact CD2-CD1 3.96Å; Y54-I138 HydrophobicContact CD2-CG1 4.17Å; Y54-I138 HydrophobicContact CD2-CG2 3.9Å; Y54-I138 HydrophobicContact CE1-CD1 3.82Å; Y54-I138 HydrophobicContact CE2-CD1 4.05Å; Y54-I138 HydrophobicContact CE2-CG1 4.22Å; Y54-I138 HydrophobicContact CG-CD1 3.85Å; Y54-I138 HydrophobicContact CG-CG2 4.02Å; Y54-E367 PolarHBondContact OH-OE1 3.28Å
55	V	98.9	Very high	98.9	Very high	26 Å²	26	24.1 Å²	24.1	16%	0.158	14%	0.143	C	C	.	.	H	α-helix	trans	-68.4	-46.6	175.6	175.8	0	0	0	0	111.1	P51 A57 I58 K59 E367 I371	P51-V55 WeakPolarHBondContact O-CB 3.41Å; P51-V55 WeakPolarHBondContact O-CG2 3.32Å; P51-V55 PolarHBondContact O-N 2.84Å; P51-V55 VanDerWaalsContact O-N 3.13Å; V55-A57 VanDerWaalsContact C-N 3.28Å; V55-A57 PolarHBondContact O-N 3.46Å; V55-I58 PolarHBondContact O-N 3.4Å; V55-K59 WeakPolarHBondContact O-CB 3.19Å; V55-K59 PolarHBondContact O-N 3.02Å; V55-E367 HydrophobicContact CB-CB 4.36Å; V55-E367 HydrophobicContact CB-CG 4.22Å; V55-E367 HydrophobicContact CG1-CB 4.42Å; V55-E367 HydrophobicContact CG2-CB 4.16Å; V55-E367 HydrophobicContact CG2-CG 3.67Å; V55-I371 HydrophobicContact CG1-CD1 3.85Å; V55-I371 HydrophobicContact CG1-CG1 3.58Å
56	A	98.9	Very high	98.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.7	-38.7	175.2	0	0	0	0	0	112.2	G52 K59 A60 L180 I353 G370 V374	G52-A56 WeakPolarHBondContact O-CB 3.47Å; G52-A56 PolarHBondContact O-N 3.02Å; A56-K59 PolarHBondContact O-N 2.85Å; A56-A60 WeakPolarHBondContact O-CB 3.42Å; A56-A60 PolarHBondContact O-N 3.26Å; A56-L180 HydrophobicContact CB-CD2 3.44Å; A56-L180 VanDerWaalsContact CB-CD2 3.44Å; A56-I353 HydrophobicContact CB-CD1 4.2Å; A56-G370 WeakPolarHBondContact CB-O 3.33Å; A56-V374 HydrophobicContact CB-CG1 4.01Å
57	A	98.9	Very high	98.9	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.4	-42.3	177.8	0	0	0	0	0	112.4	V46 G53 Y54 V55 A61 T67 C69 F142 V147	V46-A57 HydrophobicContact CB-CB 4.45Å; V46-A57 HydrophobicContact CG2-CB 3.93Å; G53-A57 VanDerWaalsContact O-CB 3.32Å; G53-A57 WeakPolarHBondContact O-CB 3.45Å; G53-A57 PolarHBondContact O-N 2.81Å; Y54-A57 PolarHBondContact O-N 3.05Å; V55-A57 VanDerWaalsContact C-N 3.28Å; V55-A57 PolarHBondContact O-N 3.46Å; A57-A61 PolarHBondContact O-N 3Å; A57-T67 HydrophobicContact CB-CG2 4.06Å; A57-C69 HydrophobicContact CB-CB 4.06Å; A57-F142 HydrophobicContact CB-CE1 4.26Å; A57-F142 HydrophobicContact CB-CZ 4.2Å; A57-V147 HydrophobicContact CB-CG1 4.02Å; A57-V147 WeakPolarHBondContact O-CG2 3.38Å
58	I	98.9	Very high	98.9	Very high	19 Å²	19	28.4 Å²	28.4	10%	0.097	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-48.8	174.6	-72.1	165.9	0	0	0	110.7	Y54 V55 A60 A61 Q62 L141 F142 N145	Y54-I58 HydrophobicContact CD2-CD1 4.01Å; Y54-I58 WeakPolarHBondContact O-CG1 3.47Å; Y54-I58 PolarHBondContact O-N 3.06Å; Y54-I58 VanDerWaalsContact O-N 3.11Å; V55-I58 PolarHBondContact O-N 3.4Å; I58-A60 PolarHBondContact O-N 3.07Å; I58-A61 PolarHBondContact O-N 3.07Å; I58-Q62 WeakPolarHBondContact O-CG 3.47Å; I58-Q62 PolarHBondContact O-N 3.35Å; I58-L141 HydrophobicContact CD1-CB 3.81Å; I58-L141 HydrophobicContact CD1-CD1 4.29Å; I58-F142 HydrophobicContact CD1-CD1 4.1Å; I58-F142 HydrophobicContact CD1-CE1 4.17Å; I58-F142 HydrophobicContact CG1-CD1 3.85Å; I58-F142 HydrophobicContact CG1-CE1 3.96Å; I58-N145 HydrophobicContact CG2-CB 4.44Å
59	K	98.9	Very high	98.9	Very high	47 Å²	47	28 Å²	28	20%	0.204	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-40.5	-178.7	-177.6	72.9	-179.3	-155.1	0	112.1	V55 A56 A61 Q62 L63 I371 V374 E375	V55-K59 WeakPolarHBondContact O-CB 3.19Å; V55-K59 PolarHBondContact O-N 3.02Å; A56-K59 PolarHBondContact O-N 2.85Å; K59-A61 PolarHBondContact O-N 2.84Å; K59-Q62 WeakPolarHBondContact O-CB 3.45Å; K59-Q62 PolarHBondContact O-N 2.63Å; K59-L63 HydrophobicContact CG-CD1 4.21Å; K59-L63 WeakPolarHBondContact O-CG 3.38Å; K59-L63 PolarHBondContact O-N 3.23Å; K59-I371 HydrophobicContact CD-CG2 4.17Å; K59-I371 HydrophobicContact CG-CG1 4.49Å; K59-I371 HydrophobicContact CG-CG2 4.24Å; K59-V374 HydrophobicContact CB-CG2 3.77Å; K59-V374 HydrophobicContact CG-CG2 3.49Å; K59-V374 VanDerWaalsContact CG-CG2 3.49Å; K59-E375 WeakPolarHBondContact CE-OE1 3.49Å; K59-E375 IonicContact NZ-OE1 3.84Å; K59-E375 PolarHBondContact NZ-OE1 3.27Å
60	A	98.9	Very high	98.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.6	-44	175.9	0	0	0	0	0	111.8	V44 A56 I58 Q62 L63 G64 F65 T67 V374	V44-A60 HydrophobicContact CB-CB 4.47Å; V44-A60 HydrophobicContact CG1-CB 4.5Å; V44-A60 HydrophobicContact CG2-CB 4.4Å; A56-A60 WeakPolarHBondContact O-CB 3.42Å; A56-A60 PolarHBondContact O-N 3.26Å; I58-A60 PolarHBondContact O-N 3.07Å; A60-Q62 VanDerWaalsContact C-N 3.34Å; A60-Q62 PolarHBondContact O-N 3.43Å; A60-L63 CarbonylContact O-C 3.54Å; A60-L63 PolarHBondContact O-N 3.47Å; A60-G64 PolarHBondContact O-N 2.84Å; A60-F65 HydrophobicContact CB-CB 4.37Å; A60-F65 HydrophobicContact CB-CD2 4.01Å; A60-F65 WeakPolarHBondContact O-CB 3.01Å; A60-F65 WeakPolarHBondContact O-CD2 3.47Å; A60-F65 PolarHBondContact O-N 2.97Å; A60-T67 HydrophobicContact CB-CG2 4.19Å; A60-T67 WeakPolarHBondContact CB-OG1 3.4Å; A60-V374 HydrophobicContact CB-CB 4.12Å; A60-V374 HydrophobicContact CB-CG1 4.08Å; A60-V374 HydrophobicContact CB-CG2 4.34Å
61	A	98.9	Very high	98.9	Very high	21 Å²	21	28 Å²	28	17%	0.174	15%	0.154	C	C	.	.	H	α-helix	trans	-67.1	-34.5	176.7	0	0	0	0	0	112.7	A57 I58 K59 L63 G64 T67 N145 V147	A57-A61 PolarHBondContact O-N 3Å; I58-A61 PolarHBondContact O-N 3.07Å; K59-A61 PolarHBondContact O-N 2.84Å; A61-L63 VanDerWaalsContact C-N 3.32Å; A61-G64 PolarHBondContact O-N 3.47Å; A61-G64 VanDerWaalsContact O-N 3.07Å; A61-T67 PolarHBondContact N-OG1 3.28Å; A61-N145 VanDerWaalsContact CB-O 3.27Å; A61-N145 WeakPolarHBondContact CB-O 3.49Å; A61-V147 HydrophobicContact CB-CG2 3.89Å
62	Q	98.8	Very high	98.9	Very high	121 Å²	121	31.3 Å²	31.3	57%	0.565	17%	0.167	S	C	*	.	H	α-helix	trans	-66.8	-30.8	172.2	-70.8	171.8	-2.5	0	0	113	I58 K59 A60 G64 N145	I58-Q62 WeakPolarHBondContact O-CG 3.47Å; I58-Q62 PolarHBondContact O-N 3.35Å; K59-Q62 WeakPolarHBondContact O-CB 3.45Å; K59-Q62 PolarHBondContact O-N 2.63Å; A60-Q62 VanDerWaalsContact C-N 3.34Å; A60-Q62 PolarHBondContact O-N 3.43Å; Q62-G64 PolarHBondContact O-N 3.27Å; Q62-N145 WeakPolarHBondContact CG-OD1 3.46Å; Q62-N145 PolarHBondContact NE2-OD1 2.94Å
63	L	98.8	Very high	98.8	Very high	69 Å²	69	33.8 Å²	33.8	36%	0.361	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	0.9	171.1	-66.1	167.7	0	0	0	113.1	K59 A60 A61 F65 V374 E375 A378	K59-L63 HydrophobicContact CG-CD1 4.21Å; K59-L63 WeakPolarHBondContact O-CG 3.38Å; K59-L63 PolarHBondContact O-N 3.23Å; A60-L63 CarbonylContact O-C 3.54Å; A60-L63 PolarHBondContact O-N 3.47Å; A61-L63 VanDerWaalsContact C-N 3.32Å; L63-F65 HydrophobicContact CB-CD2 4.3Å; L63-F65 HydrophobicContact CB-CE2 4.41Å; L63-V374 HydrophobicContact CD1-CB 4.47Å; L63-V374 HydrophobicContact CD1-CG2 4.02Å; L63-E375 HydrophobicContact CD1-CG 3.9Å; L63-A378 HydrophobicContact CD1-CB 4.21Å
64	G	98.7	Very high	98.8	Very high	64 Å²	64	42.6 Å²	42.6	66%	0.66	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.5	3.9	174.5	0	0	0	0	0	115.8	A60 A61 Q62	A60-G64 PolarHBondContact O-N 2.84Å; A61-G64 PolarHBondContact O-N 3.47Å; A61-G64 VanDerWaalsContact O-N 3.07Å; Q62-G64 PolarHBondContact O-N 3.27Å
65	F	98.9	Very high	98.8	Very high	43 Å²	43	43.3 Å²	43.3	19%	0.189	23%	0.229	C	C	.	.			trans	-72.5	140.7	175.1	-65.7	-57	0	0	0	111.8	D43 V44 A60 L63 T67 M377 A378	D43-F65 HydrophobicContact CB-CB 3.85Å; D43-F65 HydrophobicContact CB-CD1 3.67Å; D43-F65 HydrophobicContact CB-CG 4.15Å; V44-F65 HydrophobicContact CG2-CB 4Å; V44-F65 HydrophobicContact CG2-CD1 4.32Å; V44-F65 HydrophobicContact CG2-CD2 3.89Å; V44-F65 HydrophobicContact CG2-CE2 4.41Å; V44-F65 HydrophobicContact CG2-CG 3.83Å; A60-F65 HydrophobicContact CB-CB 4.37Å; A60-F65 HydrophobicContact CB-CD2 4.01Å; A60-F65 WeakPolarHBondContact O-CB 3.01Å; A60-F65 WeakPolarHBondContact O-CD2 3.47Å; A60-F65 PolarHBondContact O-N 2.97Å; L63-F65 HydrophobicContact CB-CD2 4.3Å; L63-F65 HydrophobicContact CB-CE2 4.41Å; F65-T67 PolarHBondContact O-N 2.9Å; F65-T67 PolarHBondContact O-OG1 3.13Å; F65-M377 HydrophobicContact CE2-CB 4.19Å; F65-M377 HydrophobicContact CZ-CB 4.12Å; F65-A378 HydrophobicContact CE2-CB 4.12Å; F65-A378 HydrophobicContact CZ-CB 4.11Å
66	K	98.9	Very high	98.7	Very high	94 Å²	94	42.4 Å²	42.4	41%	0.409	22%	0.223	S	C	.	.			trans	-72.5	96	164.9	-173.1	-174.6	178.3	-160.3	0	108.8	D41 D43	D41-K66 VanDerWaalsContact O-CD 3.27Å; D41-K66 WeakPolarHBondContact O-CD 3.38Å; D41-K66 WeakPolarHBondContact O-CE 3.21Å; D41-K66 PolarHBondContact O-NZ 3.23Å; D43-K66 PolarHBondContact N-O 3.43Å; D43-K66 VanDerWaalsContact OD2-CB 3.31Å; D43-K66 WeakPolarHBondContact OD2-CB 3.47Å; D43-K66 PolarHBondContact OD2-N 2.86Å
67	T	98.9	Very high	98.7	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.018	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.5	-171.7	-52.1	0	0	0	0	113.7	V44 V46 A57 A60 A61 F65 I148	V44-T67 HydrophobicContact CB-CG2 4.39Å; V44-T67 WeakPolarHBondContact O-CA 3.24Å; V46-T67 HydrophobicContact CG2-CG2 4.28Å; A57-T67 HydrophobicContact CB-CG2 4.06Å; A60-T67 HydrophobicContact CB-CG2 4.19Å; A60-T67 WeakPolarHBondContact CB-OG1 3.4Å; A61-T67 PolarHBondContact N-OG1 3.28Å; F65-T67 PolarHBondContact O-N 2.9Å; F65-T67 PolarHBondContact O-OG1 3.13Å; T67-I148 PolarHBondContact O-N 3.29Å
68	V	98.9	Very high	98.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	139	168.1	178.6	0	0	0	0	109.1	I40 A42 V44 T45 V46 V70 I148 V150 V174	I40-V68 HydrophobicContact CG2-CG2 3.85Å; A42-V68 HydrophobicContact CB-CB 4.49Å; A42-V68 HydrophobicContact CB-CG2 3.82Å; V44-V68 PolarHBondContact O-N 3.4Å; T45-V68 CarbonylContact C-O 3.46Å; T45-V68 WeakPolarHBondContact CA-O 3.42Å; T45-V68 HydrophobicContact CG2-CB 4.29Å; T45-V68 HydrophobicContact CG2-CG1 4.34Å; V46-V68 PolarHBondContact N-O 3.11Å; V68-V70 HydrophobicContact CG1-CG2 4.22Å; V68-I148 CarbonylContact C-O 3.55Å; V68-I148 WeakPolarHBondContact CA-O 3.35Å; V68-I148 HydrophobicContact CG2-CB 4.08Å; V68-I148 HydrophobicContact CG2-CD1 4.28Å; V68-I148 HydrophobicContact CG2-CG2 4.41Å; V68-V150 HydrophobicContact CG1-CB 4.48Å; V68-V150 HydrophobicContact CG1-CG2 3.8Å; V68-V174 HydrophobicContact CB-CG1 4.16Å; V68-V174 HydrophobicContact CG1-CG1 4.22Å; V68-V174 HydrophobicContact CG1-CG2 4.26Å; V68-V174 HydrophobicContact CG2-CG1 3.91Å
69	C	98.9	Very high	98.6	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	123.5	169.3	-176.1	0	0	0	0	109.6	V46 A57 F142 V147 I148 H149 V150	V46-C69 WeakPolarHBondContact O-CA 3.44Å; A57-C69 HydrophobicContact CB-CB 4.06Å; C69-F142 HydrophobicContact CB-CE2 3.62Å; C69-F142 HydrophobicContact CB-CZ 3.88Å; C69-V147 HydrophobicContact CB-CG1 3.94Å; C69-I148 PolarHBondContact N-O 2.88Å; C69-H149 WeakPolarHBondContact O-CA 3.46Å; C69-V150 PolarHBondContact O-N 2.77Å
70	V	98.9	Very high	98.5	Very high	1 Å²	1	43 Å²	43	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	121.9	179.9	-176.3	0	0	0	0	109.1	T45 V46 G48 V68 V150 G152 A164	T45-V70 HydrophobicContact CG2-CG2 4Å; V46-V70 PolarHBondContact O-N 2.89Å; G48-V70 PolarHBondContact N-O 3.11Å; V68-V70 HydrophobicContact CG1-CG2 4.22Å; V70-V150 WeakPolarHBondContact CA-O 3.34Å; V70-V150 HydrophobicContact CG2-CB 4.37Å; V70-G152 VanDerWaalsContact CG1-O 3.3Å; V70-G152 WeakPolarHBondContact CG1-O 3.13Å; V70-A164 HydrophobicContact CG1-CB 3.72Å
71	E	98.8	Very high	98.4	Very high	10 Å²	10	43.9 Å²	43.9	5%	0.047	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	138.8	175.1	177.6	54.7	-105.4	0	0	110.3	S49 N73 L76 V150 N151 G152	S49-E71 WeakPolarHBondContact CB-OE2 3.36Å; S49-E71 PolarHBondContact N-OE2 2.81Å; S49-E71 WeakPolarHBondContact OG-CG 3.25Å; S49-E71 PolarHBondContact OG-OE2 3.13Å; E71-N73 HydrophobicContact CG-CB 4.16Å; E71-N73 PolarHBondContact OE1-N 3.44Å; E71-N73 PolarHBondContact OE1-ND2 2.97Å; E71-L76 HydrophobicContact CB-CD2 4.03Å; E71-L76 HydrophobicContact CG-CD2 4.3Å; E71-V150 PolarHBondContact N-O 2.8Å; E71-V150 VanDerWaalsContact N-O 3.08Å; E71-N151 CarbonylContact O-C 3.35Å; E71-N151 VanDerWaalsContact O-CA 3.3Å; E71-N151 WeakPolarHBondContact O-CA 3.48Å; E71-N151 PolarHBondContact O-OD1 2.82Å; E71-G152 CarbonylContact C-O 3.59Å; E71-G152 PolarHBondContact O-N 3.3Å
72	K	98.5	Very high	98.4	Very high	90 Å²	90	44.6 Å²	44.6	39%	0.391	24%	0.24	S	C	.	.			trans	-94.4	-15.4	-178.2	66.2	170.7	-174.5	64.3	0	113.5	Y153	K72-Y153 HydrophobicContact CB-CD2 4.05Å; K72-Y153 HydrophobicContact CB-CG 4.49Å; K72-Y153 HydrophobicContact CD-CD2 3.63Å; K72-Y153 HydrophobicContact CD-CE2 3.58Å; K72-Y153 HydrophobicContact CG-CD2 4.46Å
73	N	98.3	Very high	98.4	Very high	55 Å²	55	41.3 Å²	41.3	29%	0.294	23%	0.228	S	C	.	.	S	Bend	trans	-87.3	161.8	179.6	-54.8	-33.3	0	0	0	110.7	E71 T75	E71-N73 HydrophobicContact CG-CB 4.16Å; E71-N73 PolarHBondContact OE1-N 3.44Å; E71-N73 PolarHBondContact OE1-ND2 2.97Å; N73-T75 PolarHBondContact O-N 3.05Å
74	E	97.7	Very high	98.3	Very high	186 Å²	186	38.9 Å²	38.9	87%	0.869	22%	0.22	S	C	*	.	S	Bend	trans	-63.2	-21.9	177.3	-59.9	179.3	172.8	0	0	113.8
75	T	98.4	Very high	98.2	Very high	60 Å²	60	37.9 Å²	37.9	37%	0.368	20%	0.202	S	C	.	.	S	Bend	trans	-140.4	154.5	-174.8	46.8	0	0	0	0	112.1	N73 N82	N73-T75 PolarHBondContact O-N 3.05Å; T75-N82 PolarHBondContact OG1-OD1 2.9Å
76	L	98.7	Very high	98.2	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.037	21%	0.206	C	C	.	.	S	Bend	trans	-79.6	173	-178.6	-59.5	172	0	0	0	112.3	S49 E71 N82 I138 A139 F142	S49-L76 VanDerWaalsContact OG-CA 3.29Å; S49-L76 WeakPolarHBondContact OG-CA 3.25Å; E71-L76 HydrophobicContact CB-CD2 4.03Å; E71-L76 HydrophobicContact CG-CD2 4.3Å; L76-N82 PolarHBondContact O-ND2 2.8Å; L76-I138 HydrophobicContact CB-CB 4.22Å; L76-I138 HydrophobicContact CB-CG2 3.9Å; L76-I138 HydrophobicContact CD1-CB 4.39Å; L76-I138 HydrophobicContact CD1-CG2 3.81Å; L76-I138 HydrophobicContact CG-CG2 4.49Å; L76-A139 HydrophobicContact CD1-CB 4.26Å; L76-F142 HydrophobicContact CD1-CD2 3.67Å; L76-F142 HydrophobicContact CD1-CE2 3.75Å; L76-F142 HydrophobicContact CD1-CG 4.31Å; L76-F142 HydrophobicContact CD1-CZ 4.45Å; L76-F142 HydrophobicContact CD2-CE2 3.95Å; L76-F142 HydrophobicContact CG-CE2 4.49Å
77	G	98.1	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	S	Bend	trans	90.3	-0.4	175.5	0	0	0	0	0	115	S49 L81	S49-G77 CarbonylContact O-C 3.54Å; S49-G77 VanDerWaalsContact O-C 3.29Å; S49-G77 WeakPolarHBondContact O-CA 3.35Å; S49-G77 PolarHBondContact O-N 2.97Å; S49-G77 PolarHBondContact OG-N 2.87Å; G77-L81 WeakPolarHBondContact O-CB 3.4Å; G77-L81 PolarHBondContact O-N 2.84Å
78	G	98.4	Very high	98.1	Very high	9 Å²	9	34.2 Å²	34.2	9%	0.093	19%	0.189	C	C	.	.	H	α-helix	trans	51.5	-144.6	173.5	0	0	0	0	0	114.5	S49 N82	S49-G78 PolarHBondContact O-N 3.2Å; G78-N82 WeakPolarHBondContact O-CB 3.42Å; G78-N82 PolarHBondContact O-N 2.83Å; G78-N82 PolarHBondContact O-ND2 2.77Å
79	T	98.1	Very high	98.1	Very high	44 Å²	44	37 Å²	37	27%	0.27	20%	0.201	S	C	.	.	H	α-helix	trans	-61.5	-48.9	-177.1	-51.6	0	0	0	0	112.9	L81 N82 V83 G84	T79-L81 VanDerWaalsContact C-N 3.33Å; T79-L81 PolarHBondContact O-N 3.33Å; T79-N82 PolarHBondContact O-N 2.84Å; T79-V83 HydrophobicContact CG2-CG2 3.96Å; T79-V83 CarbonylContact O-C 3.52Å; T79-V83 PolarHBondContact O-N 2.88Å; T79-G84 WeakPolarHBondContact O-CA 3.38Å; T79-G84 PolarHBondContact O-N 2.9Å
80	C	97.1	Very high	98.1	Very high	25 Å²	25	37.6 Å²	37.6	17%	0.169	21%	0.206	C	C	.	.	H	α-helix	trans	-62.6	-39.6	-169.7	-176.3	0	0	0	0	112.5	P51 G84 C85 I86 A363	P51-C80 HydrophobicContact CG-CB 3.51Å; C80-G84 CarbonylContact O-C 3.52Å; C80-C85 WeakPolarHBondContact CA-SG 3.42Å; C80-C85 HydrophobicContact CB-CB 4.17Å; C80-C85 WeakPolarHBondContact CB-SG 3.46Å; C80-C85 WeakPolarHBondContact O-CA 3.34Å; C80-C85 WeakPolarHBondContact O-CB 3.33Å; C80-C85 PolarHBondContact O-N 3.18Å; C80-C85 WeakPolarHBondContact SG-CB 3.47Å; C80-C85 CovalentContact SG-SG 2.04Å; C80-C85 PolarHBondContact SG-SG 3.41Å; C80-I86 PolarHBondContact O-N 3.34Å; C80-A363 HydrophobicContact CB-CB 4.49Å; C80-A363 VanDerWaalsContact SG-CB 3.54Å
81	L	96.8	Very high	98.1	Very high	20 Å²	20	37.6 Å²	37.6	11%	0.105	21%	0.206	C	C	.	.	H	α-helix	trans	-79.8	-39.7	-179.6	-161.2	68.3	0	0	0	112.9	G77 T79 I86 P87 V131 L134 T135 I138	G77-L81 WeakPolarHBondContact O-CB 3.4Å; G77-L81 PolarHBondContact O-N 2.84Å; T79-L81 VanDerWaalsContact C-N 3.33Å; T79-L81 PolarHBondContact O-N 3.33Å; L81-I86 HydrophobicContact CD1-CB 4.46Å; L81-I86 HydrophobicContact CD1-CG1 3.62Å; L81-P87 WeakPolarHBondContact O-CD 3.37Å; L81-V131 WeakPolarHBondContact O-CG2 3.38Å; L81-L134 HydrophobicContact CD1-CB 3.54Å; L81-L134 HydrophobicContact CD1-CD1 3.95Å; L81-L134 HydrophobicContact CD1-CG 4.36Å; L81-L134 HydrophobicContact CD2-CB 4.25Å; L81-L134 HydrophobicContact CG-CB 4.28Å; L81-T135 HydrophobicContact CD2-CG2 3.56Å; L81-T135 HydrophobicContact CG-CG2 4.16Å; L81-I138 HydrophobicContact CD2-CD1 3.62Å; L81-I138 HydrophobicContact CD2-CG1 4.42Å
82	N	98.2	Very high	98.1	Very high	36 Å²	36	37.4 Å²	37.4	19%	0.193	21%	0.206	C	C	.	.	H	α-helix	trans	-96.6	-35.9	-168.1	-63.6	-71.4	0	0	0	114.6	T75 L76 G78 T79 T135	T75-N82 PolarHBondContact OG1-OD1 2.9Å; L76-N82 PolarHBondContact O-ND2 2.8Å; G78-N82 WeakPolarHBondContact O-CB 3.42Å; G78-N82 PolarHBondContact O-N 2.83Å; G78-N82 PolarHBondContact O-ND2 2.77Å; T79-N82 PolarHBondContact O-N 2.84Å; N82-T135 WeakPolarHBondContact OD1-CG2 2.94Å
83	V	97.8	Very high	98.1	Very high	51 Å²	51	36.3 Å²	36.3	31%	0.309	20%	0.204	S	C	.	.	S	Bend	trans	-143.6	25.3	-169.6	-62.8	0	0	0	0	113.2	T79 T204	T79-V83 HydrophobicContact CG2-CG2 3.96Å; T79-V83 CarbonylContact O-C 3.52Å; T79-V83 PolarHBondContact O-N 2.88Å; V83-T204 HydrophobicContact CB-CG2 4.24Å; V83-T204 HydrophobicContact CG1-CG2 3.81Å
84	G	97.5	Very high	98.1	Very high	19 Å²	19	34.9 Å²	34.9	20%	0.196	20%	0.197	C	C	.	.	S	Bend	trans	-146.2	-117.6	-174.1	0	0	0	0	0	112.6	T79 C80 I86 P87 S88	T79-G84 WeakPolarHBondContact O-CA 3.38Å; T79-G84 PolarHBondContact O-N 2.9Å; C80-G84 CarbonylContact O-C 3.52Å; G84-I86 PolarHBondContact O-N 3.18Å; G84-P87 WeakPolarHBondContact O-CD 3.48Å; G84-P87 WeakPolarHBondContact O-CG 3.5Å; G84-S88 WeakPolarHBondContact O-CB 3.48Å; G84-S88 PolarHBondContact O-N 2.82Å
85	C	96.8	Very high	98.2	Very high	43 Å²	43	26 Å²	26	29%	0.291	16%	0.155	S	C	.	.	H	α-helix	trans	-43.7	-64.6	-174.4	-41	0	0	0	0	113.8	C80 S88 K89	C80-C85 WeakPolarHBondContact CA-SG 3.42Å; C80-C85 HydrophobicContact CB-CB 4.17Å; C80-C85 WeakPolarHBondContact CB-SG 3.46Å; C80-C85 WeakPolarHBondContact O-CA 3.34Å; C80-C85 WeakPolarHBondContact O-CB 3.33Å; C80-C85 PolarHBondContact O-N 3.18Å; C80-C85 WeakPolarHBondContact SG-CB 3.47Å; C80-C85 CovalentContact SG-SG 2.04Å; C80-C85 PolarHBondContact SG-SG 3.41Å; C85-S88 PolarHBondContact O-N 3.07Å; C85-S88 PolarHBondContact O-OG 2.97Å; C85-K89 WeakPolarHBondContact O-CB 3.38Å; C85-K89 WeakPolarHBondContact O-CD 3.45Å; C85-K89 PolarHBondContact O-N 3.28Å
86	I	98	Very high	98.2	Very high	52 Å²	52	24.8 Å²	24.8	27%	0.267	15%	0.145	S	C	.	.	H	α-helix	trans	-62.9	-51.3	-172.8	-61.2	-51.1	0	0	0	112.5	C80 L81 G84 S88 K89 A90 A130 V131 L134	C80-I86 PolarHBondContact O-N 3.34Å; L81-I86 HydrophobicContact CD1-CB 4.46Å; L81-I86 HydrophobicContact CD1-CG1 3.62Å; G84-I86 PolarHBondContact O-N 3.18Å; I86-S88 VanDerWaalsContact C-N 3.33Å; I86-S88 PolarHBondContact O-N 2.92Å; I86-K89 PolarHBondContact O-N 2.85Å; I86-A90 WeakPolarHBondContact O-CB 3.39Å; I86-A90 PolarHBondContact O-N 2.59Å; I86-A130 HydrophobicContact CG2-CB 4.46Å; I86-V131 HydrophobicContact CG2-CG2 3.98Å; I86-L134 HydrophobicContact CD1-CD1 4.13Å; I86-L134 HydrophobicContact CG1-CD1 4.04Å; I86-L134 HydrophobicContact CG2-CD1 3.9Å
87	P	98.3	Very high	98.2	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.019	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-30.7	177.8	22.8	-33.1	0	0	0	113.7	L81 G84 L91 K127 V131 L207	L81-P87 WeakPolarHBondContact O-CD 3.37Å; G84-P87 WeakPolarHBondContact O-CD 3.48Å; G84-P87 WeakPolarHBondContact O-CG 3.5Å; P87-L91 WeakPolarHBondContact O-CG 3.39Å; P87-L91 PolarHBondContact O-N 2.96Å; P87-K127 HydrophobicContact CB-CD 3.8Å; P87-K127 HydrophobicContact CB-CG 3.82Å; P87-V131 HydrophobicContact CB-CG2 4.36Å; P87-V131 HydrophobicContact CG-CG2 4.5Å; P87-L207 HydrophobicContact CB-CD1 4.17Å; P87-L207 HydrophobicContact CB-CD2 4.26Å; P87-L207 HydrophobicContact CG-CD1 3.95Å
88	S	98.1	Very high	98.3	Very high	8 Å²	8	32.4 Å²	32.4	6%	0.056	18%	0.175	C	C	.	.	H	α-helix	trans	-71.4	-43.5	173.9	86.7	0	0	0	0	111.6	G84 C85 I86 A90 L91 L92 E227	G84-S88 WeakPolarHBondContact O-CB 3.48Å; G84-S88 PolarHBondContact O-N 2.82Å; C85-S88 PolarHBondContact O-N 3.07Å; C85-S88 PolarHBondContact O-OG 2.97Å; I86-S88 VanDerWaalsContact C-N 3.33Å; I86-S88 PolarHBondContact O-N 2.92Å; S88-A90 PolarHBondContact O-N 3.49Å; S88-L91 PolarHBondContact O-N 2.82Å; S88-L92 WeakPolarHBondContact O-CB 3.35Å; S88-L92 WeakPolarHBondContact O-CD1 3.34Å; S88-L92 VanDerWaalsContact O-CG 3.25Å; S88-L92 WeakPolarHBondContact O-CG 3.34Å; S88-L92 PolarHBondContact O-N 2.92Å; S88-E227 PolarHBondContact OG-OE2 3.43Å
89	K	98.6	Very high	98.3	Very high	57 Å²	57	35.8 Å²	35.8	25%	0.248	19%	0.188	C	C	.	.	H	α-helix	trans	-65.4	-40.1	-179.7	-87.2	67.9	-162.5	163.1	0	111.9	C85 I86 L91 L92 N93 E227 Y394	C85-K89 WeakPolarHBondContact O-CB 3.38Å; C85-K89 WeakPolarHBondContact O-CD 3.45Å; C85-K89 PolarHBondContact O-N 3.28Å; I86-K89 PolarHBondContact O-N 2.85Å; K89-L91 PolarHBondContact O-N 3.23Å; K89-L92 PolarHBondContact O-N 2.91Å; K89-N93 VanDerWaalsContact O-CB 3.31Å; K89-N93 WeakPolarHBondContact O-CB 3.42Å; K89-N93 PolarHBondContact O-N 2.85Å; K89-E227 IonicContact NZ-OE1 2.66Å; K89-E227 PolarHBondContact NZ-OE1 2.95Å; K89-E227 IonicContact NZ-OE2 2.63Å; K89-E227 PolarHBondContact NZ-OE2 3.24Å; K89-Y394 HydrophobicContact CD-CD2 4.38Å; K89-Y394 HydrophobicContact CD-CG 4.35Å; K89-Y394 VanDerWaalsContact CE-CE2 3.42Å; K89-Y394 HydrophobicContact CG-CD1 4.26Å; K89-Y394 HydrophobicContact CG-CG 4.29Å; K89-Y394 VanDerWaalsContact NZ-CD2 3.32Å
90	A	98.8	Very high	98.3	Very high	13 Å²	13	35.3 Å²	35.3	11%	0.107	18%	0.183	C	C	.	.	H	α-helix	trans	-59	-45.6	172.6	0	0	0	0	0	112.2	I86 S88 N94 K127	I86-A90 WeakPolarHBondContact O-CB 3.39Å; I86-A90 PolarHBondContact O-N 2.59Å; S88-A90 PolarHBondContact O-N 3.49Å; A90-N94 WeakPolarHBondContact O-CB 3Å; A90-N94 PolarHBondContact O-N 2.95Å; A90-N94 PolarHBondContact O-ND2 2.99Å; A90-N94 PolarHBondContact O-OD1 3.09Å; A90-K127 HydrophobicContact CB-CB 4.22Å; A90-K127 HydrophobicContact CB-CG 4.13Å
91	L	98.9	Very high	98.4	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-73.1	-32.4	178.2	-67.6	-179.1	0	0	0	113.3	P87 S88 K89 S95 M123 M124 K127 L207 V231	P87-L91 WeakPolarHBondContact O-CG 3.39Å; P87-L91 PolarHBondContact O-N 2.96Å; S88-L91 PolarHBondContact O-N 2.82Å; K89-L91 PolarHBondContact O-N 3.23Å; L91-S95 WeakPolarHBondContact O-CB 3.43Å; L91-S95 PolarHBondContact O-N 2.98Å; L91-S95 PolarHBondContact O-OG 3.05Å; L91-M123 HydrophobicContact CD2-CG 3.96Å; L91-M123 HydrophobicContact CD2-SD 4.31Å; L91-M124 HydrophobicContact CD1-CE 3.95Å; L91-M124 HydrophobicContact CD1-SD 4.28Å; L91-M124 HydrophobicContact CD2-CE 4.34Å; L91-M124 HydrophobicContact CD2-SD 4.26Å; L91-K127 HydrophobicContact CD1-CD 3.89Å; L91-K127 HydrophobicContact CD2-CB 4.29Å; L91-K127 HydrophobicContact CD2-CD 4.2Å; L91-K127 HydrophobicContact CD2-CG 4.45Å; L91-K127 HydrophobicContact CG-CD 3.89Å; L91-K127 HydrophobicContact CG-CG 4.19Å; L91-L207 HydrophobicContact CD1-CD2 3.96Å; L91-V231 HydrophobicContact CB-CG1 3.9Å; L91-V231 HydrophobicContact CB-CG2 4.12Å
92	L	98.9	Very high	98.5	Very high	6 Å²	6	38.9 Å²	38.9	3%	0.031	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-47.5	173.5	-76.1	159.5	0	0	0	111.3	S88 K89 S95 H96 E227 V231 R234 Y394	S88-L92 WeakPolarHBondContact O-CB 3.35Å; S88-L92 WeakPolarHBondContact O-CD1 3.34Å; S88-L92 VanDerWaalsContact O-CG 3.25Å; S88-L92 WeakPolarHBondContact O-CG 3.34Å; S88-L92 PolarHBondContact O-N 2.92Å; K89-L92 PolarHBondContact O-N 2.91Å; L92-S95 PolarHBondContact O-OG 2.83Å; L92-S95 VanDerWaalsContact O-OG 3.13Å; L92-H96 VanDerWaalsContact O-CB 3.22Å; L92-H96 WeakPolarHBondContact O-CB 2.95Å; L92-H96 PolarHBondContact O-N 3.19Å; L92-E227 HydrophobicContact CD1-CB 4.04Å; L92-E227 HydrophobicContact CD1-CG 3.81Å; L92-E227 HydrophobicContact CD2-CB 4.29Å; L92-E227 HydrophobicContact CD2-CG 4.46Å; L92-V231 HydrophobicContact CB-CG2 4.43Å; L92-V231 HydrophobicContact CD2-CG2 3.64Å; L92-V231 HydrophobicContact CG-CG2 3.72Å; L92-R234 PolarHBondContact O-NH1 2.96Å; L92-R234 VanDerWaalsContact O-NH1 3.13Å; L92-Y394 WeakPolarHBondContact CD1-O 3.4Å; L92-Y394 WeakPolarHBondContact CD2-O 3.38Å
93	N	98.9	Very high	98.5	Very high	68 Å²	68	38.9 Å²	38.9	36%	0.364	21%	0.209	S	C	.	.	H	α-helix	trans	-59.1	-52.8	173.6	175.2	85.3	0	0	0	111.9	K89 S95 H96 Y97	K89-N93 VanDerWaalsContact O-CB 3.31Å; K89-N93 WeakPolarHBondContact O-CB 3.42Å; K89-N93 PolarHBondContact O-N 2.85Å; N93-S95 PolarHBondContact O-N 3.16Å; N93-H96 WeakPolarHBondContact O-CB 3.49Å; N93-H96 PolarHBondContact O-N 3.35Å; N93-Y97 WeakPolarHBondContact O-CD2 3.32Å; N93-Y97 PolarHBondContact O-N 2.93Å; N93-Y97 VanDerWaalsContact OD1-CE2 3.23Å; N93-Y97 WeakPolarHBondContact OD1-CE2 3.43Å
94	N	98.9	Very high	98.5	Very high	25 Å²	25	45.3 Å²	45.3	13%	0.134	23%	0.233	C	C	.	.	H	α-helix	trans	-68.5	-36.6	-174.9	-61.3	-11.6	0	0	0	112.4	A90 Y98 M123 Q126	A90-N94 WeakPolarHBondContact O-CB 3Å; A90-N94 PolarHBondContact O-N 2.95Å; A90-N94 PolarHBondContact O-ND2 2.99Å; A90-N94 PolarHBondContact O-OD1 3.09Å; N94-Y98 WeakPolarHBondContact O-CB 3.01Å; N94-Y98 PolarHBondContact O-N 3.25Å; N94-M123 HydrophobicContact CB-CE 3.95Å; N94-M123 HydrophobicContact CB-CG 3.68Å; N94-M123 HydrophobicContact CB-SD 3.81Å; N94-Q126 PolarHBondContact ND2-OE1 3.23Å
95	S	98.9	Very high	98.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-72.8	-29.6	174.8	63	0	0	0	0	112.9	L91 L92 N93 H99	L91-S95 WeakPolarHBondContact O-CB 3.43Å; L91-S95 PolarHBondContact O-N 2.98Å; L91-S95 PolarHBondContact O-OG 3.05Å; L92-S95 PolarHBondContact O-OG 2.83Å; L92-S95 VanDerWaalsContact O-OG 3.13Å; N93-S95 PolarHBondContact O-N 3.16Å; S95-H99 WeakPolarHBondContact O-CB 3.46Å; S95-H99 PolarHBondContact O-N 3.19Å
96	H	98.9	Very high	98.6	Very high	34 Å²	34	46.7 Å²	46.7	16%	0.157	23%	0.23	C	C	.	.	H	α-helix	trans	-65.4	-51.1	171.7	174.5	49.8	0	0	0	111.3	L92 N93 Y98 H99 M100 H396	L92-H96 VanDerWaalsContact O-CB 3.22Å; L92-H96 WeakPolarHBondContact O-CB 2.95Å; L92-H96 PolarHBondContact O-N 3.19Å; N93-H96 WeakPolarHBondContact O-CB 3.49Å; N93-H96 PolarHBondContact O-N 3.35Å; H96-Y98 VanDerWaalsContact C-N 3.33Å; H96-Y98 PolarHBondContact O-N 3.1Å; H96-H99 WeakPolarHBondContact O-CB 3.45Å; H96-H99 PolarHBondContact O-N 2.95Å; H96-H99 VanDerWaalsContact O-N 3.07Å; H96-M100 PolarHBondContact CE1-SD 3.4Å; H96-M100 PolarHBondContact NE2-SD 2.91Å; H96-M100 WeakPolarHBondContact O-CG 3.32Å; H96-M100 PolarHBondContact O-N 2.97Å; H96-H396 AromaticContact CE1-CD2 3.48Å; H96-H396 PolarHBondContact CE1-CD2 3.38Å; H96-H396 VanDerWaalsContact CE1-CD2 3.48Å; H96-H396 AromaticContact CE1-CE1 3.39Å; H96-H396 PolarHBondContact CE1-CE1 3.46Å; H96-H396 AromaticContact CE1-CG 3.47Å; H96-H396 VanDerWaalsContact CE1-CG 3.47Å; H96-H396 AromaticContact CE1-ND1 3.41Å; H96-H396 PolarHBondContact CE1-ND1 3.02Å; H96-H396 AromaticContact CE1-NE2 3.42Å; H96-H396 PolarHBondContact CE1-NE2 2.84Å; H96-H396 AromaticContact ND1-CD2 3.81Å; H96-H396 AromaticContact ND1-CG 3.71Å; H96-H396 AromaticContact NE2-CE1 3.74Å; H96-H396 AromaticContact NE2-ND1 3.64Å
97	Y	98.9	Very high	98.6	Very high	128 Å²	128	47.2 Å²	47.2	50%	0.502	24%	0.242	S	C	.	.	H	α-helix	trans	-62.2	-38.6	176.1	-66.8	-45.4	0	0	0	112.8	N93 H99 M100 A101	N93-Y97 WeakPolarHBondContact O-CD2 3.32Å; N93-Y97 PolarHBondContact O-N 2.93Å; N93-Y97 VanDerWaalsContact OD1-CE2 3.23Å; N93-Y97 WeakPolarHBondContact OD1-CE2 3.43Å; Y97-H99 VanDerWaalsContact C-N 3.33Å; Y97-H99 PolarHBondContact O-N 2.86Å; Y97-M100 HydrophobicContact CD1-SD 4.12Å; Y97-M100 PolarHBondContact O-N 2.93Å; Y97-A101 WeakPolarHBondContact O-CB 3.3Å; Y97-A101 PolarHBondContact O-N 3.34Å
98	Y	98.9	Very high	98.7	Very high	39 Å²	39	51.5 Å²	51.5	15%	0.153	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-45.3	171.2	177.3	-99	0	0	0	111.7	N94 H96 A101 H102 V116 L118 L235	N94-Y98 WeakPolarHBondContact O-CB 3.01Å; N94-Y98 PolarHBondContact O-N 3.25Å; H96-Y98 VanDerWaalsContact C-N 3.33Å; H96-Y98 PolarHBondContact O-N 3.1Å; Y98-A101 PolarHBondContact O-N 3.13Å; Y98-H102 HydrophobicContact CE1-CB 4.26Å; Y98-H102 HydrophobicContact CE2-CB 4.3Å; Y98-H102 AromaticContact CZ-CD2 3.65Å; Y98-H102 VanDerWaalsContact O-CB 3.23Å; Y98-H102 WeakPolarHBondContact O-CB 3.23Å; Y98-H102 PolarHBondContact O-N 3.02Å; Y98-H102 PolarHBondContact OH-CD2 3.47Å; Y98-V116 HydrophobicContact CD2-CG1 4.34Å; Y98-V116 HydrophobicContact CE2-CG1 4.14Å; Y98-L118 HydrophobicContact CD2-CB 4.45Å; Y98-L118 HydrophobicContact CD2-CD1 4.26Å; Y98-L118 HydrophobicContact CE2-CB 3.74Å; Y98-L118 HydrophobicContact CE2-CD1 4.38Å; Y98-L235 HydrophobicContact CD1-CD2 3.76Å; Y98-L235 HydrophobicContact CE1-CD2 4.36Å; Y98-L235 HydrophobicContact CG-CD2 4.08Å
99	H	98.8	Very high	98.7	Very high	80 Å²	80	56 Å²	56	37%	0.37	29%	0.288	S	S	.	.	H	α-helix	trans	-65.1	-37.6	178.3	-175.4	83.5	0	0	0	113	S95 H96 Y97 G103 R234	S95-H99 WeakPolarHBondContact O-CB 3.46Å; S95-H99 PolarHBondContact O-N 3.19Å; H96-H99 WeakPolarHBondContact O-CB 3.45Å; H96-H99 PolarHBondContact O-N 2.95Å; H96-H99 VanDerWaalsContact O-N 3.07Å; Y97-H99 VanDerWaalsContact C-N 3.33Å; Y97-H99 PolarHBondContact O-N 2.86Å; H99-G103 VanDerWaalsContact O-CA 3.22Å; H99-G103 WeakPolarHBondContact O-CA 3.29Å; H99-G103 PolarHBondContact O-N 3.21Å; H99-R234 HydrophobicContact CB-CB 4.2Å; H99-R234 HydrophobicContact CB-CG 4.17Å
100	M	98.8	Very high	98.7	Very high	34 Å²	34	56.1 Å²	56.1	17%	0.167	31%	0.305	C	S	.	.	H	α-helix	trans	-66.6	-42	175.5	-64	174.2	81	0	0	112.1	H96 Y97 D105 F106	H96-M100 PolarHBondContact CE1-SD 3.4Å; H96-M100 PolarHBondContact NE2-SD 2.91Å; H96-M100 WeakPolarHBondContact O-CG 3.32Å; H96-M100 PolarHBondContact O-N 2.97Å; Y97-M100 HydrophobicContact CD1-SD 4.12Å; Y97-M100 PolarHBondContact O-N 2.93Å; M100-D105 HydrophobicContact CB-CB 4.12Å; M100-D105 WeakPolarHBondContact CE-OD1 3.35Å; M100-D105 HydrophobicContact CG-CB 4.45Å; M100-F106 HydrophobicContact CB-CD1 3.71Å; M100-F106 HydrophobicContact CB-CE1 3.54Å; M100-F106 HydrophobicContact CE-CE1 4.19Å; M100-F106 PolarHBondContact O-N 2.89Å; M100-F106 VanDerWaalsContact O-N 3.17Å; M100-F106 HydrophobicContact SD-CE1 4.44Å
101	A	98.8	Very high	98.7	Very high	22 Å²	22	59.3 Å²	59.3	18%	0.182	32%	0.32	C	S	.	.	H	α-helix	trans	-75.3	-42.4	-177.8	0	0	0	0	0	113.6	Y97 Y98 F106 M113 V116	Y97-A101 WeakPolarHBondContact O-CB 3.3Å; Y97-A101 PolarHBondContact O-N 3.34Å; Y98-A101 PolarHBondContact O-N 3.13Å; A101-F106 HydrophobicContact CB-CD2 4.16Å; A101-F106 HydrophobicContact CB-CE2 4.21Å; A101-F106 HydrophobicContact CB-CG 4.46Å; A101-M113 HydrophobicContact CB-CE 3.82Å; A101-M113 HydrophobicContact CB-SD 4.49Å; A101-M113 WeakPolarHBondContact O-CE 3.35Å; A101-V116 HydrophobicContact CB-CG1 4.29Å; A101-V116 HydrophobicContact CB-CG2 4.47Å
102	H	98.6	Very high	98.6	Very high	98 Å²	98	67.6 Å²	67.6	45%	0.454	36%	0.359	S	S	.	.	H	α-helix	trans	-82.7	-19	177.4	-173.6	-66	0	0	0	112.4	Y98 V116	Y98-H102 HydrophobicContact CE1-CB 4.26Å; Y98-H102 HydrophobicContact CE2-CB 4.3Å; Y98-H102 AromaticContact CZ-CD2 3.65Å; Y98-H102 VanDerWaalsContact O-CB 3.23Å; Y98-H102 WeakPolarHBondContact O-CB 3.23Å; Y98-H102 PolarHBondContact O-N 3.02Å; Y98-H102 PolarHBondContact OH-CD2 3.47Å; H102-V116 HydrophobicContact CB-CB 4.22Å; H102-V116 HydrophobicContact CB-CG1 3.95Å
103	G	97.6	Very high	98.6	Very high	36 Å²	36	71.4 Å²	71.4	37%	0.371	38%	0.377	S	S	.	.	S	Bend	trans	-81.5	-146	178.4	0	0	0	0	0	113	H99	H99-G103 VanDerWaalsContact O-CA 3.22Å; H99-G103 WeakPolarHBondContact O-CA 3.29Å; H99-G103 PolarHBondContact O-N 3.21Å
104	K	97.9	Very high	98.6	Very high	186 Å²	186	74.3 Å²	74.3	81%	0.809	40%	0.403	S	S	*	.	S	Bend	trans	-104.8	-3.7	178.5	-65.1	-177	178.5	-177.8	0	113.6	S108	K104-S108 WeakPolarHBondContact O-CB 3.37Å; K104-S108 PolarHBondContact O-N 3.06Å; K104-S108 PolarHBondContact O-OG 2.94Å
105	D	98.6	Very high	98.5	Very high	40 Å²	40	79.1 Å²	79.1	21%	0.214	43%	0.425	C	S	.	.	H	α-helix	trans	-70.8	-54.1	-171.6	180	-86	0	0	0	112	M100 A107 S108 R109	M100-D105 HydrophobicContact CB-CB 4.12Å; M100-D105 WeakPolarHBondContact CE-OD1 3.35Å; M100-D105 HydrophobicContact CG-CB 4.45Å; D105-A107 VanDerWaalsContact C-N 3.3Å; D105-A107 PolarHBondContact O-N 2.95Å; D105-S108 PolarHBondContact O-N 2.93Å; D105-S108 VanDerWaalsContact O-N 3.14Å; D105-S108 PolarHBondContact O-OG 3.26Å; D105-R109 VanDerWaalsContact CG-NE 3.32Å; D105-R109 WeakPolarHBondContact O-CG 3.36Å; D105-R109 PolarHBondContact O-N 3.33Å; D105-R109 IonicContact OD1-CZ 2.67Å; D105-R109 IonicContact OD1-NE 2.66Å; D105-R109 PolarHBondContact OD1-NE 3.44Å; D105-R109 IonicContact OD1-NH2 3.84Å; D105-R109 IonicContact OD2-CZ 3.13Å; D105-R109 IonicContact OD2-NE 2.79Å; D105-R109 PolarHBondContact OD2-NE 2.93Å; D105-R109 IonicContact OD2-NH2 3.57Å; D105-R109 PolarHBondContact OD2-NH2 3.42Å
106	F	98.7	Very high	98.5	Very high	50 Å²	50	80.6 Å²	80.6	22%	0.219	43%	0.434	C	S	.	.	H	α-helix	trans	-61.5	-40.6	179.3	-86.4	36	0	0	0	111.6	M100 A101 S108 R109 G110 I111 M113	M100-F106 HydrophobicContact CB-CD1 3.71Å; M100-F106 HydrophobicContact CB-CE1 3.54Å; M100-F106 HydrophobicContact CE-CE1 4.19Å; M100-F106 PolarHBondContact O-N 2.89Å; M100-F106 VanDerWaalsContact O-N 3.17Å; M100-F106 HydrophobicContact SD-CE1 4.44Å; A101-F106 HydrophobicContact CB-CD2 4.16Å; A101-F106 HydrophobicContact CB-CE2 4.21Å; A101-F106 HydrophobicContact CB-CG 4.46Å; F106-S108 PolarHBondContact O-N 2.82Å; F106-R109 CarbonylContact O-C 3.57Å; F106-R109 WeakPolarHBondContact O-CB 3.44Å; F106-R109 PolarHBondContact O-N 3.43Å; F106-R109 VanDerWaalsContact O-N 3.1Å; F106-G110 PolarHBondContact O-N 3.02Å; F106-I111 CarbonylContact C-O 3.57Å; F106-I111 HydrophobicContact CB-CB 4.02Å; F106-I111 HydrophobicContact CB-CG2 4.36Å; F106-I111 HydrophobicContact CD2-CB 4.17Å; F106-I111 HydrophobicContact CD2-CD1 4.37Å; F106-I111 HydrophobicContact CD2-CG2 3.68Å; F106-I111 HydrophobicContact CE2-CG2 4.41Å; F106-I111 HydrophobicContact CG-CB 4.33Å; F106-I111 HydrophobicContact CG-CD1 4.49Å; F106-I111 HydrophobicContact CG-CG2 4.34Å; F106-I111 WeakPolarHBondContact O-CA 3.47Å; F106-I111 WeakPolarHBondContact O-CB 3.4Å; F106-I111 PolarHBondContact O-N 3.07Å; F106-M113 HydrophobicContact CB-CE 3.87Å; F106-M113 HydrophobicContact CD2-CE 3.51Å; F106-M113 HydrophobicContact CD2-SD 4.37Å; F106-M113 HydrophobicContact CE2-CE 4.43Å; F106-M113 HydrophobicContact CG-CE 4.08Å
107	A	98.6	Very high	98.5	Very high	63 Å²	63	87.2 Å²	87.2	52%	0.521	46%	0.457	S	S	.	.	H	α-helix	trans	-61.7	-39.7	175.3	0	0	0	0	0	113	D105 R109 G110	D105-A107 VanDerWaalsContact C-N 3.3Å; D105-A107 PolarHBondContact O-N 2.95Å; A107-R109 PolarHBondContact O-N 3.06Å; A107-G110 PolarHBondContact O-N 3.48Å; A107-G110 VanDerWaalsContact O-N 3.11Å
108	S	98.6	Very high	98.5	Very high	93 Å²	93	83.5 Å²	83.5	65%	0.65	45%	0.446	S	S	*	.	H	α-helix	trans	-69	-15.2	176.7	76	0	0	0	0	113.5	K104 D105 F106	K104-S108 WeakPolarHBondContact O-CB 3.37Å; K104-S108 PolarHBondContact O-N 3.06Å; K104-S108 PolarHBondContact O-OG 2.94Å; D105-S108 PolarHBondContact O-N 2.93Å; D105-S108 VanDerWaalsContact O-N 3.14Å; D105-S108 PolarHBondContact O-OG 3.26Å; F106-S108 PolarHBondContact O-N 2.82Å
109	R	98.6	Very high	98.5	Very high	102 Å²	102	86.3 Å²	86.3	39%	0.385	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	3.4	174.2	-59	171.2	-165.3	-77.2	-3.8	113.4	D105 F106 A107 I111 N432	D105-R109 VanDerWaalsContact CG-NE 3.32Å; D105-R109 WeakPolarHBondContact O-CG 3.36Å; D105-R109 PolarHBondContact O-N 3.33Å; D105-R109 IonicContact OD1-CZ 2.67Å; D105-R109 IonicContact OD1-NE 2.66Å; D105-R109 PolarHBondContact OD1-NE 3.44Å; D105-R109 IonicContact OD1-NH2 3.84Å; D105-R109 IonicContact OD2-CZ 3.13Å; D105-R109 IonicContact OD2-NE 2.79Å; D105-R109 PolarHBondContact OD2-NE 2.93Å; D105-R109 IonicContact OD2-NH2 3.57Å; D105-R109 PolarHBondContact OD2-NH2 3.42Å; F106-R109 CarbonylContact O-C 3.57Å; F106-R109 WeakPolarHBondContact O-CB 3.44Å; F106-R109 PolarHBondContact O-N 3.43Å; F106-R109 VanDerWaalsContact O-N 3.1Å; A107-R109 PolarHBondContact O-N 3.06Å; R109-I111 VanDerWaalsContact C-N 3.33Å; R109-I111 HydrophobicContact CB-CD1 4.38Å; R109-I111 HydrophobicContact CB-CG1 4.34Å; R109-N432 VanDerWaalsContact CZ-O 3.3Å; R109-N432 PolarHBondContact NH1-O 3.38Å; R109-N432 PolarHBondContact NH2-O 2.93Å
110	G	98.5	Very high	98.5	Very high	60 Å²	60	83.5 Å²	83.5	62%	0.619	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.3	17.4	-175.9	0	0	0	0	0	114.6	F106 A107	F106-G110 PolarHBondContact O-N 3.02Å; A107-G110 PolarHBondContact O-N 3.48Å; A107-G110 VanDerWaalsContact O-N 3.11Å
111	I	98.8	Very high	98.5	Very high	81 Å²	81	87.5 Å²	87.5	42%	0.415	47%	0.473	S	S	.	.			trans	-96.4	91	176.1	-53.4	174.5	0	0	0	108	F106 R109	F106-I111 CarbonylContact C-O 3.57Å; F106-I111 HydrophobicContact CB-CB 4.02Å; F106-I111 HydrophobicContact CB-CG2 4.36Å; F106-I111 HydrophobicContact CD2-CB 4.17Å; F106-I111 HydrophobicContact CD2-CD1 4.37Å; F106-I111 HydrophobicContact CD2-CG2 3.68Å; F106-I111 HydrophobicContact CE2-CG2 4.41Å; F106-I111 HydrophobicContact CG-CB 4.33Å; F106-I111 HydrophobicContact CG-CD1 4.49Å; F106-I111 HydrophobicContact CG-CG2 4.34Å; F106-I111 WeakPolarHBondContact O-CA 3.47Å; F106-I111 WeakPolarHBondContact O-CB 3.4Å; F106-I111 PolarHBondContact O-N 3.07Å; R109-I111 VanDerWaalsContact C-N 3.33Å; R109-I111 HydrophobicContact CB-CD1 4.38Å; R109-I111 HydrophobicContact CB-CG1 4.34Å
112	E	98.3	Very high	98.5	Very high	175 Å²	175	91.8 Å²	91.8	82%	0.818	49%	0.488	S	S	*	.			trans	-89.3	135.9	-175.3	-60.7	-172.4	160.8	0	0	112.4
113	M	98.2	Very high	98.5	Very high	85 Å²	85	88.2 Å²	88.2	42%	0.419	47%	0.471	S	S	.	.			trans	-139.5	126.7	177.2	-66.4	168.3	-69.5	0	0	108.8	A101 F106 E115 V116	A101-M113 HydrophobicContact CB-CE 3.82Å; A101-M113 HydrophobicContact CB-SD 4.49Å; A101-M113 WeakPolarHBondContact O-CE 3.35Å; F106-M113 HydrophobicContact CB-CE 3.87Å; F106-M113 HydrophobicContact CD2-CE 3.51Å; F106-M113 HydrophobicContact CD2-SD 4.37Å; F106-M113 HydrophobicContact CE2-CE 4.43Å; F106-M113 HydrophobicContact CG-CE 4.08Å; M113-E115 PolarHBondContact O-N 2.93Å; M113-V116 HydrophobicContact CB-CG2 4.03Å; M113-V116 HydrophobicContact CE-CG2 3.93Å; M113-V116 HydrophobicContact SD-CG2 3.96Å
114	S	97.8	Very high	98.5	Very high	129 Å²	129	87.5 Å²	87.5	90%	0.902	46%	0.459	S	S	*	.	S	Bend	trans	-69.4	-33.2	-174.5	-173.8	0	0	0	0	113.7
115	E	98	Very high	98.6	Very high	127 Å²	127	83.1 Å²	83.1	59%	0.593	44%	0.441	S	S	*	.			trans	-145.1	142.5	170.3	-63.3	-157.5	158.5	0	0	110.2	M113 R117	M113-E115 PolarHBondContact O-N 2.93Å; E115-R117 IonicContact OE1-CZ 2.78Å; E115-R117 IonicContact OE1-NH2 2.82Å; E115-R117 PolarHBondContact OE1-NH2 3.48Å; E115-R117 IonicContact OE2-CZ 2.78Å; E115-R117 IonicContact OE2-NE 2.84Å; E115-R117 PolarHBondContact OE2-NE 3.08Å; E115-R117 IonicContact OE2-NH2 2.91Å; E115-R117 PolarHBondContact OE2-NH2 2.84Å
116	V	98.6	Very high	98.6	Very high	31 Å²	31	85.2 Å²	85.2	19%	0.188	45%	0.45	C	S	.	.			trans	-122.2	128.6	168.3	-180	0	0	0	0	107.8	Y98 A101 H102 M113	Y98-V116 HydrophobicContact CD2-CG1 4.34Å; Y98-V116 HydrophobicContact CE2-CG1 4.14Å; A101-V116 HydrophobicContact CB-CG1 4.29Å; A101-V116 HydrophobicContact CB-CG2 4.47Å; H102-V116 HydrophobicContact CB-CB 4.22Å; H102-V116 HydrophobicContact CB-CG1 3.95Å; M113-V116 HydrophobicContact CB-CG2 4.03Å; M113-V116 HydrophobicContact CE-CG2 3.93Å; M113-V116 HydrophobicContact SD-CG2 3.96Å
117	R	98.6	Very high	98.6	Very high	172 Å²	172	83.5 Å²	83.5	65%	0.649	44%	0.442	S	S	*	.			trans	-132.8	137	-174.1	-57	-63.1	179.3	-160	8.2	110.4	E115	E115-R117 IonicContact OE1-CZ 2.78Å; E115-R117 IonicContact OE1-NH2 2.82Å; E115-R117 PolarHBondContact OE1-NH2 3.48Å; E115-R117 IonicContact OE2-CZ 2.78Å; E115-R117 IonicContact OE2-NE 2.84Å; E115-R117 PolarHBondContact OE2-NE 3.08Å; E115-R117 IonicContact OE2-NH2 2.91Å; E115-R117 PolarHBondContact OE2-NH2 2.84Å
118	L	98.8	Very high	98.6	Very high	51 Å²	51	83.4 Å²	83.4	27%	0.267	44%	0.438	S	S	.	.			trans	-78.5	121.2	177.8	179.8	60.4	0	0	0	111.3	Y98 L120 M123 V212 L235	Y98-L118 HydrophobicContact CD2-CB 4.45Å; Y98-L118 HydrophobicContact CD2-CD1 4.26Å; Y98-L118 HydrophobicContact CE2-CB 3.74Å; Y98-L118 HydrophobicContact CE2-CD1 4.38Å; L118-L120 HydrophobicContact CD2-CB 4.43Å; L118-L120 HydrophobicContact CG-CB 4.36Å; L118-M123 HydrophobicContact CD1-CE 3.52Å; L118-M123 HydrophobicContact CD1-SD 4.35Å; L118-V212 HydrophobicContact CD2-CG2 3.54Å; L118-L235 HydrophobicContact CD1-CD2 3.86Å; L118-L235 HydrophobicContact CD2-CB 4.07Å; L118-L235 HydrophobicContact CD2-CD1 4.48Å; L118-L235 HydrophobicContact CD2-CD2 4.03Å; L118-L235 HydrophobicContact CD2-CG 4.4Å
119	N	98.8	Very high	98.6	Very high	98 Å²	98	82.9 Å²	82.9	52%	0.524	43%	0.431	S	S	.	.			trans	-101.5	94.6	160.4	-174.4	-33.4	0	0	0	108.8	D121 K122 M123	N119-D121 PolarHBondContact OD1-N 2.84Å; N119-K122 HydrophobicContact CB-CB 4.24Å; N119-K122 PolarHBondContact O-N 3.1Å; N119-K122 WeakPolarHBondContact OD1-CB 3.3Å; N119-K122 PolarHBondContact OD1-N 3.46Å; N119-M123 PolarHBondContact O-N 2.75Å; N119-M123 VanDerWaalsContact O-N 3.16Å
120	L	98.8	Very high	98.6	Very high	20 Å²	20	79.5 Å²	79.5	11%	0.105	42%	0.424	C	S	.	.	H	α-helix	trans	-67.7	-38	-175.4	-176	62.4	0	0	0	112.2	L118 K122 M123 M124 W232 L235	L118-L120 HydrophobicContact CD2-CB 4.43Å; L118-L120 HydrophobicContact CG-CB 4.36Å; L120-K122 VanDerWaalsContact C-N 3.35Å; L120-K122 PolarHBondContact O-N 2.8Å; L120-M123 WeakPolarHBondContact O-CB 3.47Å; L120-M123 PolarHBondContact O-N 2.81Å; L120-M124 HydrophobicContact CD1-CE 4.22Å; L120-M124 HydrophobicContact CD1-CG 4.43Å; L120-M124 HydrophobicContact CG-CG 4.43Å; L120-M124 WeakPolarHBondContact O-CB 3.49Å; L120-M124 WeakPolarHBondContact O-CG 3.12Å; L120-M124 PolarHBondContact O-N 2.99Å; L120-W232 HydrophobicContact CD1-CH2 3.98Å; L120-W232 HydrophobicContact CD1-CZ3 3.95Å; L120-W232 HydrophobicContact CD2-CH2 4.17Å; L120-W232 HydrophobicContact CD2-CZ3 4.07Å; L120-L235 HydrophobicContact CD1-CD1 4.25Å
121	D	98.8	Very high	98.6	Very high	118 Å²	118	77.5 Å²	77.5	63%	0.631	40%	0.4	S	S	*	.	H	α-helix	trans	-61.4	-43.4	178.2	-70.4	-40.6	0	0	0	111.3	N119 M123 M124 E125	N119-D121 PolarHBondContact OD1-N 2.84Å; D121-M123 VanDerWaalsContact C-N 3.35Å; D121-M123 PolarHBondContact O-N 3.48Å; D121-M124 CarbonylContact O-C 3.49Å; D121-M124 PolarHBondContact O-N 2.81Å; D121-E125 WeakPolarHBondContact O-CB 3.43Å; D121-E125 PolarHBondContact O-N 3.02Å
122	K	98.9	Very high	98.6	Very high	113 Å²	113	81.5 Å²	81.5	49%	0.491	41%	0.414	S	S	.	.	H	α-helix	trans	-69	-32.6	177.1	-164.7	52.8	159.7	-178.5	0	112.7	N119 L120 E125 Q126	N119-K122 HydrophobicContact CB-CB 4.24Å; N119-K122 PolarHBondContact O-N 3.1Å; N119-K122 WeakPolarHBondContact OD1-CB 3.3Å; N119-K122 PolarHBondContact OD1-N 3.46Å; L120-K122 VanDerWaalsContact C-N 3.35Å; L120-K122 PolarHBondContact O-N 2.8Å; K122-E125 HydrophobicContact CD-CB 4.28Å; K122-E125 WeakPolarHBondContact CD-OE2 3.45Å; K122-E125 IonicContact NZ-OE1 2.71Å; K122-E125 PolarHBondContact NZ-OE1 3.2Å; K122-E125 IonicContact NZ-OE2 2.59Å; K122-E125 PolarHBondContact NZ-OE2 3.09Å; K122-E125 PolarHBondContact O-N 3.31Å; K122-Q126 PolarHBondContact O-N 2.93Å
123	M	98.9	Very high	98.6	Very high	22 Å²	22	76.3 Å²	76.3	11%	0.108	40%	0.402	C	S	.	.	H	α-helix	trans	-66.2	-39.8	171.7	-170.4	177.7	-69.8	0	0	111.8	L91 N94 L118 N119 L120 D121 K127 L235	L91-M123 HydrophobicContact CD2-CG 3.96Å; L91-M123 HydrophobicContact CD2-SD 4.31Å; N94-M123 HydrophobicContact CB-CE 3.95Å; N94-M123 HydrophobicContact CB-CG 3.68Å; N94-M123 HydrophobicContact CB-SD 3.81Å; L118-M123 HydrophobicContact CD1-CE 3.52Å; L118-M123 HydrophobicContact CD1-SD 4.35Å; N119-M123 PolarHBondContact O-N 2.75Å; N119-M123 VanDerWaalsContact O-N 3.16Å; L120-M123 WeakPolarHBondContact O-CB 3.47Å; L120-M123 PolarHBondContact O-N 2.81Å; D121-M123 VanDerWaalsContact C-N 3.35Å; D121-M123 PolarHBondContact O-N 3.48Å; M123-K127 PolarHBondContact O-N 2.92Å; M123-L235 HydrophobicContact CE-CD2 3.9Å; M123-L235 HydrophobicContact SD-CD1 4.11Å; M123-L235 HydrophobicContact SD-CD2 4.05Å
124	M	98.8	Very high	98.5	Very high	21 Å²	21	76.2 Å²	76.2	10%	0.103	40%	0.402	C	S	.	.	H	α-helix	trans	-70.9	-32.6	174.3	-72.8	-68.7	176.8	0	0	112.6	L91 L120 D121 K127 S128 L207 W232	L91-M124 HydrophobicContact CD1-CE 3.95Å; L91-M124 HydrophobicContact CD1-SD 4.28Å; L91-M124 HydrophobicContact CD2-CE 4.34Å; L91-M124 HydrophobicContact CD2-SD 4.26Å; L120-M124 HydrophobicContact CD1-CE 4.22Å; L120-M124 HydrophobicContact CD1-CG 4.43Å; L120-M124 HydrophobicContact CG-CG 4.43Å; L120-M124 WeakPolarHBondContact O-CB 3.49Å; L120-M124 WeakPolarHBondContact O-CG 3.12Å; L120-M124 PolarHBondContact O-N 2.99Å; D121-M124 CarbonylContact O-C 3.49Å; D121-M124 PolarHBondContact O-N 2.81Å; M124-K127 HydrophobicContact SD-CD 4.07Å; M124-K127 PolarHBondContact SD-NZ 3.02Å; M124-S128 WeakPolarHBondContact O-CB 3.35Å; M124-S128 PolarHBondContact O-N 3.33Å; M124-S128 PolarHBondContact O-OG 2.87Å; M124-L207 VanDerWaalsContact SD-O 3.35Å; M124-W232 HydrophobicContact CE-CH2 3.63Å; M124-W232 HydrophobicContact CE-CZ2 3.81Å
125	E	98.8	Very high	98.5	Very high	94 Å²	94	70.8 Å²	70.8	44%	0.439	36%	0.364	S	S	.	.	H	α-helix	trans	-66.1	-43.5	173.2	-167	-153.6	115.7	0	0	111.3	D121 K122 S128 T129	D121-E125 WeakPolarHBondContact O-CB 3.43Å; D121-E125 PolarHBondContact O-N 3.02Å; K122-E125 HydrophobicContact CD-CB 4.28Å; K122-E125 WeakPolarHBondContact CD-OE2 3.45Å; K122-E125 IonicContact NZ-OE1 2.71Å; K122-E125 PolarHBondContact NZ-OE1 3.2Å; K122-E125 IonicContact NZ-OE2 2.59Å; K122-E125 PolarHBondContact NZ-OE2 3.09Å; K122-E125 PolarHBondContact O-N 3.31Å; E125-S128 PolarHBondContact O-N 3.07Å; E125-T129 WeakPolarHBondContact O-CB 3.5Å; E125-T129 PolarHBondContact O-N 3.23Å; E125-T129 PolarHBondContact O-OG1 2.86Å
126	Q	98.8	Very high	98.5	Very high	84 Å²	84	66.7 Å²	66.7	39%	0.393	36%	0.356	S	S	.	.	H	α-helix	trans	-60.7	-48.3	175.7	-171.4	-78.8	-17	0	0	110.9	N94 K122 S128 T129 A130	N94-Q126 PolarHBondContact ND2-OE1 3.23Å; K122-Q126 PolarHBondContact O-N 2.93Å; Q126-S128 VanDerWaalsContact C-N 3.32Å; Q126-S128 PolarHBondContact O-N 3.11Å; Q126-T129 WeakPolarHBondContact O-CB 3.31Å; Q126-T129 PolarHBondContact O-N 2.89Å; Q126-A130 PolarHBondContact O-N 2.99Å; Q126-A130 VanDerWaalsContact O-N 3.1Å
127	K	98.7	Very high	98.5	Very high	15 Å²	15	66.6 Å²	66.6	7%	0.065	36%	0.361	C	S	.	.	H	α-helix	trans	-52.9	-49.8	173.7	-178.7	-152.4	79.9	-170.4	0	111.3	P87 A90 L91 M123 M124 T129 A130 V131 L207 S208	P87-K127 HydrophobicContact CB-CD 3.8Å; P87-K127 HydrophobicContact CB-CG 3.82Å; A90-K127 HydrophobicContact CB-CB 4.22Å; A90-K127 HydrophobicContact CB-CG 4.13Å; L91-K127 HydrophobicContact CD1-CD 3.89Å; L91-K127 HydrophobicContact CD2-CB 4.29Å; L91-K127 HydrophobicContact CD2-CD 4.2Å; L91-K127 HydrophobicContact CD2-CG 4.45Å; L91-K127 HydrophobicContact CG-CD 3.89Å; L91-K127 HydrophobicContact CG-CG 4.19Å; M123-K127 PolarHBondContact O-N 2.92Å; M124-K127 HydrophobicContact SD-CD 4.07Å; M124-K127 PolarHBondContact SD-NZ 3.02Å; K127-T129 VanDerWaalsContact C-N 3.33Å; K127-T129 PolarHBondContact O-N 3.17Å; K127-A130 PolarHBondContact O-N 3.24Å; K127-V131 WeakPolarHBondContact O-CG2 3.41Å; K127-V131 PolarHBondContact O-N 3.14Å; K127-L207 PolarHBondContact NZ-O 2.73Å; K127-S208 PolarHBondContact NZ-OG 2.92Å
128	S	98.5	Very high	98.5	Very high	61 Å²	61	59 Å²	59	43%	0.427	33%	0.333	S	S	.	.	H	α-helix	trans	-69.6	-31.1	-177.1	-52.5	0	0	0	0	112.5	M124 E125 Q126 K132	M124-S128 WeakPolarHBondContact O-CB 3.35Å; M124-S128 PolarHBondContact O-N 3.33Å; M124-S128 PolarHBondContact O-OG 2.87Å; E125-S128 PolarHBondContact O-N 3.07Å; Q126-S128 VanDerWaalsContact C-N 3.32Å; Q126-S128 PolarHBondContact O-N 3.11Å; S128-K132 VanDerWaalsContact O-CB 3.32Å; S128-K132 WeakPolarHBondContact O-CB 3.37Å; S128-K132 PolarHBondContact O-N 2.99Å
129	T	98.7	Very high	98.5	Very high	82 Å²	82	58.3 Å²	58.3	50%	0.503	34%	0.335	S	S	.	.	H	α-helix	trans	-65.6	-43.3	174.1	-62.3	0	0	0	0	111.5	E125 Q126 K127 K132 A133	E125-T129 WeakPolarHBondContact O-CB 3.5Å; E125-T129 PolarHBondContact O-N 3.23Å; E125-T129 PolarHBondContact O-OG1 2.86Å; Q126-T129 WeakPolarHBondContact O-CB 3.31Å; Q126-T129 PolarHBondContact O-N 2.89Å; K127-T129 VanDerWaalsContact C-N 3.33Å; K127-T129 PolarHBondContact O-N 3.17Å; T129-K132 PolarHBondContact O-N 3.09Å; T129-A133 WeakPolarHBondContact O-CB 3.44Å; T129-A133 PolarHBondContact O-N 2.84Å
130	A	98.4	Very high	98.5	Very high	30 Å²	30	59.4 Å²	59.4	25%	0.248	34%	0.337	C	S	.	.	H	α-helix	trans	-62.1	-46.1	175.6	0	0	0	0	0	112	I86 Q126 K127 K132 A133 L134	I86-A130 HydrophobicContact CG2-CB 4.46Å; Q126-A130 PolarHBondContact O-N 2.99Å; Q126-A130 VanDerWaalsContact O-N 3.1Å; K127-A130 PolarHBondContact O-N 3.24Å; A130-K132 PolarHBondContact O-N 2.99Å; A130-A133 PolarHBondContact O-N 2.85Å; A130-L134 WeakPolarHBondContact O-CG 3.48Å; A130-L134 PolarHBondContact O-N 3.28Å
131	V	98.5	Very high	98.5	Very high	19 Å²	19	61.5 Å²	61.5	12%	0.115	35%	0.348	C	S	.	.	H	α-helix	trans	-60.2	-45.2	175.3	175.7	0	0	0	0	111.3	L81 I86 P87 K127 A133 L134 T135	L81-V131 WeakPolarHBondContact O-CG2 3.38Å; I86-V131 HydrophobicContact CG2-CG2 3.98Å; P87-V131 HydrophobicContact CB-CG2 4.36Å; P87-V131 HydrophobicContact CG-CG2 4.5Å; K127-V131 WeakPolarHBondContact O-CG2 3.41Å; K127-V131 PolarHBondContact O-N 3.14Å; V131-A133 PolarHBondContact O-N 3.18Å; V131-L134 PolarHBondContact O-N 3.46Å; V131-T135 HydrophobicContact CG1-CG2 4.19Å; V131-T135 WeakPolarHBondContact O-CB 3.45Å; V131-T135 VanDerWaalsContact O-CG2 3.29Å; V131-T135 WeakPolarHBondContact O-CG2 3.37Å; V131-T135 PolarHBondContact O-N 2.83Å; V131-T135 PolarHBondContact O-OG1 2.82Å
132	K	98.5	Very high	98.5	Very high	164 Å²	164	56.1 Å²	56.1	71%	0.713	32%	0.319	S	S	*	.	H	α-helix	trans	-63.6	-38	177.8	-175.6	175	178.1	179.4	0	113	S128 T129 A130 T135 G136	S128-K132 VanDerWaalsContact O-CB 3.32Å; S128-K132 WeakPolarHBondContact O-CB 3.37Å; S128-K132 PolarHBondContact O-N 2.99Å; T129-K132 PolarHBondContact O-N 3.09Å; A130-K132 PolarHBondContact O-N 2.99Å; K132-T135 WeakPolarHBondContact CA-OG1 3.42Å; K132-T135 PolarHBondContact O-OG1 2.94Å; K132-T135 VanDerWaalsContact O-OG1 3.09Å; K132-G136 PolarHBondContact O-N 2.81Å
133	A	98.4	Very high	98.5	Very high	67 Å²	67	58.7 Å²	58.7	55%	0.554	33%	0.33	S	S	*	.	H	α-helix	trans	-66.2	-47.6	177.1	0	0	0	0	0	111.4	T129 A130 V131 G136 G137	T129-A133 WeakPolarHBondContact O-CB 3.44Å; T129-A133 PolarHBondContact O-N 2.84Å; A130-A133 PolarHBondContact O-N 2.85Å; V131-A133 PolarHBondContact O-N 3.18Å; A133-G136 PolarHBondContact O-N 3.16Å; A133-G137 PolarHBondContact O-N 2.7Å
134	L	97.5	Very high	98.5	Very high	82 Å²	82	63.6 Å²	63.6	43%	0.429	35%	0.353	S	S	.	.	H	α-helix	trans	-72.5	-37.9	-177.1	-67.1	168.3	0	0	0	112.9	L81 I86 A130 V131 G136 G137 I138	L81-L134 HydrophobicContact CD1-CB 3.54Å; L81-L134 HydrophobicContact CD1-CD1 3.95Å; L81-L134 HydrophobicContact CD1-CG 4.36Å; L81-L134 HydrophobicContact CD2-CB 4.25Å; L81-L134 HydrophobicContact CG-CB 4.28Å; I86-L134 HydrophobicContact CD1-CD1 4.13Å; I86-L134 HydrophobicContact CG1-CD1 4.04Å; I86-L134 HydrophobicContact CG2-CD1 3.9Å; A130-L134 WeakPolarHBondContact O-CG 3.48Å; A130-L134 PolarHBondContact O-N 3.28Å; V131-L134 PolarHBondContact O-N 3.46Å; L134-G136 VanDerWaalsContact C-N 3.34Å; L134-G136 PolarHBondContact O-N 3.22Å; L134-G137 WeakPolarHBondContact O-CA 3.36Å; L134-G137 PolarHBondContact O-N 3.47Å; L134-I138 PolarHBondContact O-N 2.85Å
135	T	97.8	Very high	98.5	Very high	15 Å²	15	64 Å²	64	9%	0.092	36%	0.356	C	S	.	.	H	α-helix	trans	-61.7	-41.8	172.8	47.1	0	0	0	0	111.5	L81 N82 V131 K132 G137 I138 A139	L81-T135 HydrophobicContact CD2-CG2 3.56Å; L81-T135 HydrophobicContact CG-CG2 4.16Å; N82-T135 WeakPolarHBondContact OD1-CG2 2.94Å; V131-T135 HydrophobicContact CG1-CG2 4.19Å; V131-T135 WeakPolarHBondContact O-CB 3.45Å; V131-T135 VanDerWaalsContact O-CG2 3.29Å; V131-T135 WeakPolarHBondContact O-CG2 3.37Å; V131-T135 PolarHBondContact O-N 2.83Å; V131-T135 PolarHBondContact O-OG1 2.82Å; K132-T135 WeakPolarHBondContact CA-OG1 3.42Å; K132-T135 PolarHBondContact O-OG1 2.94Å; K132-T135 VanDerWaalsContact O-OG1 3.09Å; T135-G137 VanDerWaalsContact C-N 3.3Å; T135-G137 PolarHBondContact O-N 2.86Å; T135-I138 PolarHBondContact O-N 3.41Å; T135-A139 PolarHBondContact O-N 2.95Å
136	G	98.1	Very high	98.5	Very high	41 Å²	41	68.2 Å²	68.2	42%	0.423	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-36	170.4	0	0	0	0	0	113	K132 A133 L134 A139 H140	K132-G136 PolarHBondContact O-N 2.81Å; A133-G136 PolarHBondContact O-N 3.16Å; L134-G136 VanDerWaalsContact C-N 3.34Å; L134-G136 PolarHBondContact O-N 3.22Å; G136-A139 PolarHBondContact O-N 3.17Å; G136-H140 PolarHBondContact O-N 2.81Å
137	G	98.3	Very high	98.5	Very high	30 Å²	30	64.7 Å²	64.7	31%	0.309	36%	0.356	S	S	.	.	H	α-helix	trans	-58.3	-50.6	172.8	0	0	0	0	0	113	A133 L134 T135 A139 H140 L141	A133-G137 PolarHBondContact O-N 2.7Å; L134-G137 WeakPolarHBondContact O-CA 3.36Å; L134-G137 PolarHBondContact O-N 3.47Å; T135-G137 VanDerWaalsContact C-N 3.3Å; T135-G137 PolarHBondContact O-N 2.86Å; G137-A139 VanDerWaalsContact C-N 3.32Å; G137-A139 PolarHBondContact O-N 2.84Å; G137-H140 WeakPolarHBondContact O-CA 3.44Å; G137-H140 WeakPolarHBondContact O-CB 3.13Å; G137-H140 PolarHBondContact O-N 3.2Å; G137-H140 VanDerWaalsContact O-N 3.07Å; G137-L141 WeakPolarHBondContact O-CG 3.42Å; G137-L141 PolarHBondContact O-N 2.91Å
138	I	98.4	Very high	98.5	Very high	11 Å²	11	66.7 Å²	66.7	6%	0.056	37%	0.367	C	S	.	.	H	α-helix	trans	-62.3	-40.8	176.6	-57.8	179.3	0	0	0	110.9	Y54 L76 L81 L134 T135 H140 L141 F142	Y54-I138 HydrophobicContact CD1-CD1 3.74Å; Y54-I138 HydrophobicContact CD2-CD1 3.96Å; Y54-I138 HydrophobicContact CD2-CG1 4.17Å; Y54-I138 HydrophobicContact CD2-CG2 3.9Å; Y54-I138 HydrophobicContact CE1-CD1 3.82Å; Y54-I138 HydrophobicContact CE2-CD1 4.05Å; Y54-I138 HydrophobicContact CE2-CG1 4.22Å; Y54-I138 HydrophobicContact CG-CD1 3.85Å; Y54-I138 HydrophobicContact CG-CG2 4.02Å; L76-I138 HydrophobicContact CB-CB 4.22Å; L76-I138 HydrophobicContact CB-CG2 3.9Å; L76-I138 HydrophobicContact CD1-CB 4.39Å; L76-I138 HydrophobicContact CD1-CG2 3.81Å; L76-I138 HydrophobicContact CG-CG2 4.49Å; L81-I138 HydrophobicContact CD2-CD1 3.62Å; L81-I138 HydrophobicContact CD2-CG1 4.42Å; L134-I138 PolarHBondContact O-N 2.85Å; T135-I138 PolarHBondContact O-N 3.41Å; I138-H140 PolarHBondContact O-N 2.86Å; I138-L141 PolarHBondContact O-N 3.34Å; I138-F142 HydrophobicContact CG2-CD1 4.11Å; I138-F142 HydrophobicContact CG2-CE1 3.94Å; I138-F142 HydrophobicContact CG2-CZ 4.31Å; I138-F142 PolarHBondContact O-N 3.22Å
139	A	98.6	Very high	98.5	Very high	38 Å²	38	67.5 Å²	67.5	31%	0.314	36%	0.364	S	S	.	.	H	α-helix	trans	-64.9	-24	176	0	0	0	0	0	113.6	L76 T135 G136 G137 K143	L76-A139 HydrophobicContact CD1-CB 4.26Å; T135-A139 PolarHBondContact O-N 2.95Å; G136-A139 PolarHBondContact O-N 3.17Å; G137-A139 VanDerWaalsContact C-N 3.32Å; G137-A139 PolarHBondContact O-N 2.84Å; A139-K143 WeakPolarHBondContact O-CD 3.42Å; A139-K143 WeakPolarHBondContact O-CG 3.43Å
140	H	98.6	Very high	98.5	Very high	121 Å²	121	64.1 Å²	64.1	56%	0.56	34%	0.343	S	S	*	.	H	α-helix	trans	-77.5	-48.1	168.3	179.6	88	0	0	0	111.6	G136 G137 I138 F142 K143 Q144	G136-H140 PolarHBondContact O-N 2.81Å; G137-H140 WeakPolarHBondContact O-CA 3.44Å; G137-H140 WeakPolarHBondContact O-CB 3.13Å; G137-H140 PolarHBondContact O-N 3.2Å; G137-H140 VanDerWaalsContact O-N 3.07Å; I138-H140 PolarHBondContact O-N 2.86Å; H140-F142 VanDerWaalsContact C-N 3.3Å; H140-F142 PolarHBondContact O-N 2.58Å; H140-K143 WeakPolarHBondContact O-CB 3.38Å; H140-K143 PolarHBondContact O-N 2.91Å; H140-Q144 PolarHBondContact O-N 2.98Å
141	L	98.5	Very high	98.5	Very high	64 Å²	64	66 Å²	66	34%	0.335	35%	0.349	S	S	.	.	H	α-helix	trans	-57.7	-40.5	179.1	-70.3	169.7	0	0	0	112.2	I58 G137 I138 Q144 N145	I58-L141 HydrophobicContact CD1-CB 3.81Å; I58-L141 HydrophobicContact CD1-CD1 4.29Å; G137-L141 WeakPolarHBondContact O-CG 3.42Å; G137-L141 PolarHBondContact O-N 2.91Å; I138-L141 PolarHBondContact O-N 3.34Å; L141-Q144 PolarHBondContact O-N 3.44Å; L141-N145 WeakPolarHBondContact O-CB 3.45Å; L141-N145 PolarHBondContact O-N 3.19Å; L141-N145 PolarHBondContact O-ND2 3.48Å
142	F	98.8	Very high	98.5	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-59.8	-46	174	-84.5	16.2	0	0	0	111.8	A57 I58 C69 L76 I138 H140 N145 K146 V147 H149	A57-F142 HydrophobicContact CB-CE1 4.26Å; A57-F142 HydrophobicContact CB-CZ 4.2Å; I58-F142 HydrophobicContact CD1-CD1 4.1Å; I58-F142 HydrophobicContact CD1-CE1 4.17Å; I58-F142 HydrophobicContact CG1-CD1 3.85Å; I58-F142 HydrophobicContact CG1-CE1 3.96Å; C69-F142 HydrophobicContact CB-CE2 3.62Å; C69-F142 HydrophobicContact CB-CZ 3.88Å; L76-F142 HydrophobicContact CD1-CD2 3.67Å; L76-F142 HydrophobicContact CD1-CE2 3.75Å; L76-F142 HydrophobicContact CD1-CG 4.31Å; L76-F142 HydrophobicContact CD1-CZ 4.45Å; L76-F142 HydrophobicContact CD2-CE2 3.95Å; L76-F142 HydrophobicContact CG-CE2 4.49Å; I138-F142 HydrophobicContact CG2-CD1 4.11Å; I138-F142 HydrophobicContact CG2-CE1 3.94Å; I138-F142 HydrophobicContact CG2-CZ 4.31Å; I138-F142 PolarHBondContact O-N 3.22Å; H140-F142 VanDerWaalsContact C-N 3.3Å; H140-F142 PolarHBondContact O-N 2.58Å; F142-N145 CarbonylContact O-C 3.45Å; F142-N145 PolarHBondContact O-N 3.1Å; F142-K146 CarbonylContact O-C 3.57Å; F142-K146 PolarHBondContact O-N 3.36Å; F142-V147 HydrophobicContact CB-CB 4.03Å; F142-V147 HydrophobicContact CD1-CB 4.17Å; F142-V147 HydrophobicContact CD1-CG1 4.2Å; F142-V147 HydrophobicContact CD1-CG2 4.37Å; F142-V147 HydrophobicContact CD2-CB 4.35Å; F142-V147 HydrophobicContact CD2-CG1 3.94Å; F142-V147 HydrophobicContact CE1-CG1 4.35Å; F142-V147 HydrophobicContact CE2-CG1 4.11Å; F142-V147 HydrophobicContact CG-CB 3.94Å; F142-V147 HydrophobicContact CG-CG1 3.98Å; F142-V147 HydrophobicContact CZ-CG1 4.31Å; F142-V147 PolarHBondContact O-N 3.07Å; F142-H149 HydrophobicContact CD2-CB 4.24Å
143	K	98.5	Very high	98.5	Very high	168 Å²	168	60.7 Å²	60.7	73%	0.73	32%	0.324	S	S	*	.	H	α-helix	trans	-63.9	-43	176.8	-68.5	172.5	-176.9	178.8	0	112.1	A139 H140 K146	A139-K143 WeakPolarHBondContact O-CD 3.42Å; A139-K143 WeakPolarHBondContact O-CG 3.43Å; H140-K143 WeakPolarHBondContact O-CB 3.38Å; H140-K143 PolarHBondContact O-N 2.91Å; K143-K146 PolarHBondContact O-N 2.93Å
144	Q	98.6	Very high	98.5	Very high	124 Å²	124	57.8 Å²	57.8	58%	0.579	30%	0.3	S	S	*	.	H	α-helix	trans	-61.3	-43.3	178	-174.7	-176.7	5.1	0	0	111.9	H140 L141 K146	H140-Q144 PolarHBondContact O-N 2.98Å; L141-Q144 PolarHBondContact O-N 3.44Å; Q144-K146 VanDerWaalsContact C-N 3.3Å
145	N	98.8	Very high	98.6	Very high	31 Å²	31	57.2 Å²	57.2	17%	0.166	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	8.7	178.7	-63.9	-89.5	0	0	0	112.9	I58 A61 Q62 L141 F142 V147	I58-N145 HydrophobicContact CG2-CB 4.44Å; A61-N145 VanDerWaalsContact CB-O 3.27Å; A61-N145 WeakPolarHBondContact CB-O 3.49Å; Q62-N145 WeakPolarHBondContact CG-OD1 3.46Å; Q62-N145 PolarHBondContact NE2-OD1 2.94Å; L141-N145 WeakPolarHBondContact O-CB 3.45Å; L141-N145 PolarHBondContact O-N 3.19Å; L141-N145 PolarHBondContact O-ND2 3.48Å; F142-N145 CarbonylContact O-C 3.45Å; F142-N145 PolarHBondContact O-N 3.1Å; N145-V147 HydrophobicContact CB-CG2 4.29Å; N145-V147 PolarHBondContact O-N 3.36Å
146	K	98.7	Very high	98.6	Very high	182 Å²	182	56.7 Å²	56.7	79%	0.791	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	22.7	179.4	-51.6	174.4	-174.6	171.3	0	115.3	F142 K143 Q144 I148	F142-K146 CarbonylContact O-C 3.57Å; F142-K146 PolarHBondContact O-N 3.36Å; K143-K146 PolarHBondContact O-N 2.93Å; Q144-K146 VanDerWaalsContact C-N 3.3Å; K146-I148 PolarHBondContact O-N 3.19Å
147	V	98.9	Very high	98.6	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.055	29%	0.29	C	S	.	.			trans	-68.5	125.9	173.2	179.4	0	0	0	0	109.3	A57 A61 C69 F142 N145 H149	A57-V147 HydrophobicContact CB-CG1 4.02Å; A57-V147 WeakPolarHBondContact O-CG2 3.38Å; A61-V147 HydrophobicContact CB-CG2 3.89Å; C69-V147 HydrophobicContact CB-CG1 3.94Å; F142-V147 HydrophobicContact CB-CB 4.03Å; F142-V147 HydrophobicContact CD1-CB 4.17Å; F142-V147 HydrophobicContact CD1-CG1 4.2Å; F142-V147 HydrophobicContact CD1-CG2 4.37Å; F142-V147 HydrophobicContact CD2-CB 4.35Å; F142-V147 HydrophobicContact CD2-CG1 3.94Å; F142-V147 HydrophobicContact CE1-CG1 4.35Å; F142-V147 HydrophobicContact CE2-CG1 4.11Å; F142-V147 HydrophobicContact CG-CB 3.94Å; F142-V147 HydrophobicContact CG-CG1 3.98Å; F142-V147 HydrophobicContact CZ-CG1 4.31Å; F142-V147 PolarHBondContact O-N 3.07Å; N145-V147 HydrophobicContact CB-CG2 4.29Å; N145-V147 PolarHBondContact O-N 3.36Å; V147-H149 PolarHBondContact O-N 3.22Å
148	I	98.8	Very high	98.6	Very high	58 Å²	58	57.4 Å²	57.4	30%	0.297	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	113.2	177.7	-59.7	171.5	0	0	0	108.6	I40 T67 V68 C69 K146 V150	I40-I148 HydrophobicContact CD1-CG2 4.44Å; I40-I148 HydrophobicContact CG2-CD1 4.17Å; T67-I148 PolarHBondContact O-N 3.29Å; V68-I148 CarbonylContact C-O 3.55Å; V68-I148 WeakPolarHBondContact CA-O 3.35Å; V68-I148 HydrophobicContact CG2-CB 4.08Å; V68-I148 HydrophobicContact CG2-CD1 4.28Å; V68-I148 HydrophobicContact CG2-CG2 4.41Å; C69-I148 PolarHBondContact N-O 2.88Å; K146-I148 PolarHBondContact O-N 3.19Å; I148-V150 HydrophobicContact CG2-CG2 4.29Å
149	H	98.7	Very high	98.5	Very high	78 Å²	78	62.4 Å²	62.4	36%	0.361	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.5	171.6	176.9	-143.2	0	0	0	110.7	C69 F142 V147	C69-H149 WeakPolarHBondContact O-CA 3.46Å; F142-H149 HydrophobicContact CD2-CB 4.24Å; V147-H149 PolarHBondContact O-N 3.22Å
150	V	98.6	Very high	98.5	Very high	11 Å²	11	64 Å²	64	7%	0.067	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	114.4	169.4	177.5	0	0	0	0	108.5	I40 V68 C69 V70 E71 I148 A164 Q172	I40-V150 HydrophobicContact CD1-CG2 4.25Å; V68-V150 HydrophobicContact CG1-CB 4.48Å; V68-V150 HydrophobicContact CG1-CG2 3.8Å; C69-V150 PolarHBondContact O-N 2.77Å; V70-V150 WeakPolarHBondContact CA-O 3.34Å; V70-V150 HydrophobicContact CG2-CB 4.37Å; E71-V150 PolarHBondContact N-O 2.8Å; E71-V150 VanDerWaalsContact N-O 3.08Å; I148-V150 HydrophobicContact CG2-CG2 4.29Å; V150-A164 HydrophobicContact CG1-CB 3.63Å; V150-Q172 HydrophobicContact CG1-CB 3.97Å; V150-Q172 HydrophobicContact CG1-CG 3.9Å; V150-Q172 HydrophobicContact CG2-CG 4.23Å
151	N	98.5	Very high	98.5	Very high	68 Å²	68	61.1 Å²	61.1	36%	0.364	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	118.3	171.5	-174.6	-22.9	0	0	0	109.2	E71	E71-N151 CarbonylContact O-C 3.35Å; E71-N151 VanDerWaalsContact O-CA 3.3Å; E71-N151 WeakPolarHBondContact O-CA 3.48Å; E71-N151 PolarHBondContact O-OD1 2.82Å
152	G	98.4	Very high	98.5	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.031	28%	0.281	C	S	.	.	S	Bend	trans	165.7	162.7	177.5	0	0	0	0	0	112.6	V70 E71 G154 T165	V70-G152 VanDerWaalsContact CG1-O 3.3Å; V70-G152 WeakPolarHBondContact CG1-O 3.13Å; E71-G152 CarbonylContact C-O 3.59Å; E71-G152 PolarHBondContact O-N 3.3Å; G152-G154 PolarHBondContact O-N 2.65Å; G152-T165 CarbonylContact C-O 3.5Å; G152-T165 WeakPolarHBondContact CA-O 3.37Å
153	Y	98.8	Very high	98.5	Very high	69 Å²	69	59 Å²	59	27%	0.271	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	103.1	174.5	-157.3	-73.8	0	0	0	110.1	K72 K155 A164 T165 F318 K320 N321	K72-Y153 HydrophobicContact CB-CD2 4.05Å; K72-Y153 HydrophobicContact CB-CG 4.49Å; K72-Y153 HydrophobicContact CD-CD2 3.63Å; K72-Y153 HydrophobicContact CD-CE2 3.58Å; K72-Y153 HydrophobicContact CG-CD2 4.46Å; Y153-K155 PolarHBondContact O-N 2.78Å; Y153-A164 WeakPolarHBondContact O-CA 3.42Å; Y153-T165 PolarHBondContact N-O 2.71Å; Y153-T165 PolarHBondContact O-N 2.84Å; Y153-F318 WeakPolarHBondContact OH-CE1 3.5Å; Y153-F318 WeakPolarHBondContact OH-CZ 3.4Å; Y153-K320 PolarHBondContact OH-O 3.37Å; Y153-N321 HydrophobicContact CE1-CB 3.96Å
154	G	98.6	Very high	98.5	Very high	6 Å²	6	51 Å²	51	6%	0.062	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	120.4	177.5	0	0	0	0	0	112.7	G152 T163	G152-G154 PolarHBondContact O-N 2.65Å; G154-T163 WeakPolarHBondContact CA-O 3.03Å
155	K	98.8	Very high	98.5	Very high	71 Å²	71	48 Å²	48	31%	0.309	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	135.6	164.4	177.1	172.6	-176.2	179.4	0	109.2	Y153 T157 V162 T163 N321 E326	Y153-K155 PolarHBondContact O-N 2.78Å; K155-T157 HydrophobicContact CG-CG2 4.47Å; K155-T157 PolarHBondContact O-N 3.34Å; K155-V162 WeakPolarHBondContact O-CA 3.46Å; K155-T163 PolarHBondContact N-O 3.4Å; K155-T163 PolarHBondContact O-N 3.04Å; K155-N321 WeakPolarHBondContact CG-O 3.43Å; K155-E326 WeakPolarHBondContact CE-OE1 3.36Å; K155-E326 IonicContact NZ-OE1 2.58Å; K155-E326 PolarHBondContact NZ-OE1 2.89Å
156	I	98.8	Very high	98.4	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	117	170.9	-50.5	173.3	0	0	0	107.5	I47 G158 I179 I181 L322 L324 L327 I350	I47-I156 HydrophobicContact CD1-CD1 4.34Å; I47-I156 HydrophobicContact CD1-CG1 3.75Å; I156-G158 VanDerWaalsContact CG2-O 3.23Å; I156-G158 WeakPolarHBondContact CG2-O 3.38Å; I156-I179 HydrophobicContact CD1-CG2 3.95Å; I156-I179 HydrophobicContact CG1-CD1 4.41Å; I156-I179 HydrophobicContact CG1-CG2 4.2Å; I156-I179 HydrophobicContact CG2-CD1 3.62Å; I156-I181 HydrophobicContact CD1-CD1 4.03Å; I156-I181 HydrophobicContact CD1-CG1 4.24Å; I156-L322 HydrophobicContact CD1-CG 4.48Å; I156-L322 HydrophobicContact CG1-CD1 4.34Å; I156-L322 PolarHBondContact N-O 2.78Å; I156-L324 HydrophobicContact CD1-CD2 4.41Å; I156-L327 HydrophobicContact CB-CD1 3.91Å; I156-L327 HydrophobicContact CD1-CD1 4.3Å; I156-L327 HydrophobicContact CG2-CD1 3.57Å; I156-I350 HydrophobicContact CD1-CG2 4.23Å; I156-I350 HydrophobicContact CG2-CD1 4.41Å
157	T	98.3	Very high	98.1	Very high	65 Å²	65	48.1 Å²	48.1	40%	0.399	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	-7.5	-178.2	47	0	0	0	0	113.2	K155 Q161 T163	K155-T157 HydrophobicContact CG-CG2 4.47Å; K155-T157 PolarHBondContact O-N 3.34Å; T157-Q161 PolarHBondContact N-O 3.49Å; T157-Q161 WeakPolarHBondContact OG1-CG 3.27Å; T157-Q161 PolarHBondContact OG1-OE1 3.25Å; T157-T163 WeakPolarHBondContact CG2-OG1 3.45Å; T157-T163 PolarHBondContact OG1-OG1 2.59Å; T157-T163 VanDerWaalsContact OG1-OG1 3.1Å
158	G	97.4	Very high	97.8	Very high	21 Å²	21	54 Å²	54	22%	0.216	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.4	172.7	167.5	0	0	0	0	0	111.3	I156 N160 Q161	I156-G158 VanDerWaalsContact CG2-O 3.23Å; I156-G158 WeakPolarHBondContact CG2-O 3.38Å; G158-N160 PolarHBondContact O-N 3.15Å; G158-Q161 PolarHBondContact N-O 3.1Å; G158-Q161 PolarHBondContact O-N 3.01Å
159	K	97.4	Very high	97.6	Very high	116 Å²	116	53.6 Å²	53.6	50%	0.504	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.1	-31	180	-177	-177.9	174.8	-174	0	113.8	I347 N349	K159-I347 HydrophobicContact CD-CG2 4.42Å; K159-I347 HydrophobicContact CG-CG2 3.96Å; K159-N349 WeakPolarHBondContact CE-OD1 3.3Å; K159-N349 WeakPolarHBondContact CG-OD1 3.21Å; K159-N349 PolarHBondContact O-ND2 3.17Å
160	N	98.6	Very high	97.4	Very high	72 Å²	72	51 Å²	51	39%	0.385	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127.5	27.1	-176.3	-72.1	99.4	0	0	0	112.2	G158 D175 T176 K177 N349	G158-N160 PolarHBondContact O-N 3.15Å; N160-D175 CarbonylContact O-C 3.51Å; N160-D175 WeakPolarHBondContact O-CA 3.35Å; N160-T176 CarbonylContact C-O 3.56Å; N160-T176 VanDerWaalsContact CA-O 3.25Å; N160-T176 WeakPolarHBondContact CA-O 3.4Å; N160-T176 VanDerWaalsContact CB-O 3.25Å; N160-T176 WeakPolarHBondContact CB-O 3.31Å; N160-T176 PolarHBondContact ND2-O 3.14Å; N160-T176 PolarHBondContact O-N 2.97Å; N160-K177 PolarHBondContact ND2-O 3.35Å; N160-K177 VanDerWaalsContact ND2-O 3.13Å; N160-N349 PolarHBondContact ND2-ND2 3.49Å
161	Q	98.7	Very high	97.4	Very high	60 Å²	60	52.7 Å²	52.7	28%	0.28	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	135.2	-177.6	-169.6	-177.3	87.7	0	0	113.1	T157 G158 V173 V174 D175	T157-Q161 PolarHBondContact N-O 3.49Å; T157-Q161 WeakPolarHBondContact OG1-CG 3.27Å; T157-Q161 PolarHBondContact OG1-OE1 3.25Å; G158-Q161 PolarHBondContact N-O 3.1Å; G158-Q161 PolarHBondContact O-N 3.01Å; Q161-V173 HydrophobicContact CG-CG1 3.72Å; Q161-V174 WeakPolarHBondContact CA-O 3.32Å; Q161-D175 WeakPolarHBondContact CG-OD1 3.43Å; Q161-D175 PolarHBondContact NE2-OD1 3.12Å
162	V	98.8	Very high	97.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	130	170.8	-177.1	0	0	0	0	108.9	T45 I47 K155 V174 I179	T45-V162 HydrophobicContact CG2-CB 4.15Å; T45-V162 HydrophobicContact CG2-CG2 3.95Å; I47-V162 HydrophobicContact CD1-CG1 3.85Å; I47-V162 HydrophobicContact CD1-CG2 3.94Å; I47-V162 HydrophobicContact CG1-CG1 4.25Å; I47-V162 HydrophobicContact CG1-CG2 4.5Å; K155-V162 WeakPolarHBondContact O-CA 3.46Å; V162-V174 PolarHBondContact N-O 2.92Å; V162-V174 PolarHBondContact O-N 3.31Å; V162-I179 HydrophobicContact CG2-CD1 3.74Å; V162-I179 HydrophobicContact CG2-CG1 3.99Å; V162-I179 HydrophobicContact CG2-CG2 4.14Å
163	T	98.7	Very high	97.4	Very high	22 Å²	22	51.7 Å²	51.7	14%	0.135	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.7	168.1	-61.6	0	0	0	0	109.5	G154 K155 T157 T171	G154-T163 WeakPolarHBondContact CA-O 3.03Å; K155-T163 PolarHBondContact N-O 3.4Å; K155-T163 PolarHBondContact O-N 3.04Å; T157-T163 WeakPolarHBondContact CG2-OG1 3.45Å; T157-T163 PolarHBondContact OG1-OG1 2.59Å; T157-T163 VanDerWaalsContact OG1-OG1 3.1Å; T163-T171 HydrophobicContact CG2-CG2 3.99Å
164	A	98.6	Very high	97.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	117.8	172.3	0	0	0	0	0	110.2	V70 V150 Y153 T171 Q172	V70-A164 HydrophobicContact CG1-CB 3.72Å; V150-A164 HydrophobicContact CG1-CB 3.63Å; Y153-A164 WeakPolarHBondContact O-CA 3.42Å; A164-T171 WeakPolarHBondContact O-CA 3.33Å; A164-Q172 PolarHBondContact N-O 3.37Å; A164-Q172 PolarHBondContact O-N 3.17Å
165	T	98.3	Very high	97.4	Very high	61 Å²	61	50.7 Å²	50.7	37%	0.374	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	118	178.8	-54.1	0	0	0	0	110.9	G152 Y153 T171	G152-T165 CarbonylContact C-O 3.5Å; G152-T165 WeakPolarHBondContact CA-O 3.37Å; Y153-T165 PolarHBondContact N-O 2.71Å; Y153-T165 PolarHBondContact O-N 2.84Å; T165-T171 HydrophobicContact CG2-CG2 4.38Å
166	K	96.1	Very high	97.4	Very high	67 Å²	67	47.7 Å²	47.7	29%	0.291	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-72.2	166.1	177.9	-63.5	171.2	-170.4	172.3	0	111.7	D37 D168 G169 G170	D37-K166 IonicContact OD2-NZ 2.63Å; D37-K166 PolarHBondContact OD2-NZ 2.89Å; K166-D168 WeakPolarHBondContact CB-OD1 3.33Å; K166-D168 PolarHBondContact O-N 3.45Å; K166-G169 PolarHBondContact O-N 3.41Å; K166-G170 WeakPolarHBondContact CB-O 3.46Å; K166-G170 WeakPolarHBondContact CG-O 3.29Å; K166-G170 PolarHBondContact N-O 2.87Å
167	V	92.8	Very high	97.4	Very high	149 Å²	149	53.6 Å²	53.6	90%	0.903	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.6	179	-178.5	0	0	0	0	112.8	G169	V167-G169 VanDerWaalsContact C-N 3.28Å
168	D	92.5	Very high	97.4	Very high	133 Å²	133	51.8 Å²	51.8	71%	0.711	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-0.7	174.8	61.3	7.4	0	0	0	113.9	K166 G170	K166-D168 WeakPolarHBondContact CB-OD1 3.33Å; K166-D168 PolarHBondContact O-N 3.45Å; D168-G170 VanDerWaalsContact C-N 3.32Å; D168-G170 PolarHBondContact OD1-N 2.88Å
169	G	94.3	Very high	97.5	Very high	50 Å²	50	50.8 Å²	50.8	52%	0.515	28%	0.282	S	S	.	.	S	Bend	trans	83.4	-1.9	-175.3	0	0	0	0	0	114.8	K166 V167	K166-G169 PolarHBondContact O-N 3.41Å; V167-G169 VanDerWaalsContact C-N 3.28Å
170	G	95.6	Very high	97.6	Very high	23 Å²	23	45.2 Å²	45.2	24%	0.237	26%	0.258	C	S	.	.			trans	-66.2	146.8	171.8	0	0	0	0	0	111.8	K166 D168	K166-G170 WeakPolarHBondContact CB-O 3.46Å; K166-G170 WeakPolarHBondContact CG-O 3.29Å; K166-G170 PolarHBondContact N-O 2.87Å; D168-G170 VanDerWaalsContact C-N 3.32Å; D168-G170 PolarHBondContact OD1-N 2.88Å
171	T	97.4	Very high	97.6	Very high	46 Å²	46	41.8 Å²	41.8	28%	0.282	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	138.3	-176.9	49.8	0	0	0	0	112.4	D37 T163 A164 T165	D37-T171 PolarHBondContact N-O 3.32Å; T163-T171 HydrophobicContact CG2-CG2 3.99Å; A164-T171 WeakPolarHBondContact O-CA 3.33Å; T165-T171 HydrophobicContact CG2-CG2 4.38Å
172	Q	98.3	Very high	97.6	Very high	22 Å²	22	39.3 Å²	39.3	10%	0.103	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.5	166.8	175.9	64.4	78.7	0	0	108.5	D37 Q38 I40 V150 A164 V174	D37-Q172 VanDerWaalsContact CB-OE1 3.27Å; Q38-Q172 PolarHBondContact O-NE2 2.9Å; I40-Q172 VanDerWaalsContact CD1-CD 3.48Å; I40-Q172 HydrophobicContact CD1-CG 3.95Å; V150-Q172 HydrophobicContact CG1-CB 3.97Å; V150-Q172 HydrophobicContact CG1-CG 3.9Å; V150-Q172 HydrophobicContact CG2-CG 4.23Å; A164-Q172 PolarHBondContact N-O 3.37Å; A164-Q172 PolarHBondContact O-N 3.17Å; Q172-V174 HydrophobicContact CG-CG2 4.28Å
173	V	98.4	Very high	97.6	Very high	29 Å²	29	40.9 Å²	40.9	18%	0.176	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	138.9	172.2	-179.2	0	0	0	0	109.6	P39 I40 Q161	P39-V173 WeakPolarHBondContact CA-O 3.27Å; P39-V173 HydrophobicContact CB-CB 4.48Å; I40-V173 PolarHBondContact N-O 3Å; Q161-V173 HydrophobicContact CG-CG1 3.72Å
174	V	98.8	Very high	97.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	105.1	176.3	-172.6	0	0	0	0	108.3	I40 A42 T45 V68 Q161 V162 Q172	I40-V174 HydrophobicContact CB-CG2 4.48Å; I40-V174 CarbonylContact O-C 3.58Å; I40-V174 VanDerWaalsContact O-CA 3.32Å; I40-V174 WeakPolarHBondContact O-CA 3.5Å; I40-V174 WeakPolarHBondContact O-CG1 3.32Å; A42-V174 HydrophobicContact CB-CG1 4.09Å; T45-V174 HydrophobicContact CG2-CB 4.49Å; T45-V174 HydrophobicContact CG2-CG1 4.06Å; T45-V174 WeakPolarHBondContact OG1-CG1 3.21Å; V68-V174 HydrophobicContact CB-CG1 4.16Å; V68-V174 HydrophobicContact CG1-CG1 4.22Å; V68-V174 HydrophobicContact CG1-CG2 4.26Å; V68-V174 HydrophobicContact CG2-CG1 3.91Å; Q161-V174 WeakPolarHBondContact CA-O 3.32Å; V162-V174 PolarHBondContact N-O 2.92Å; V162-V174 PolarHBondContact O-N 3.31Å; Q172-V174 HydrophobicContact CG-CG2 4.28Å
175	D	98.8	Very high	97.6	Very high	53 Å²	53	41.1 Å²	41.1	28%	0.283	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	128.3	175.4	-67.9	-63.4	0	0	0	108.7	I40 D41 A42 N160 Q161	I40-D175 PolarHBondContact O-N 3.28Å; D41-D175 CarbonylContact C-O 3.52Å; D41-D175 VanDerWaalsContact CA-O 3.26Å; D41-D175 WeakPolarHBondContact CA-O 3.28Å; A42-D175 PolarHBondContact N-O 3.15Å; N160-D175 CarbonylContact O-C 3.51Å; N160-D175 WeakPolarHBondContact O-CA 3.35Å; Q161-D175 WeakPolarHBondContact CG-OD1 3.43Å; Q161-D175 PolarHBondContact NE2-OD1 3.12Å
176	T	98.9	Very high	97.6	Very high	8 Å²	8	41.2 Å²	41.2	5%	0.049	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	143.6	-158.9	-169.8	0	0	0	0	114.4	A42 T45 N160 N178 I179	A42-T176 VanDerWaalsContact O-CA 3.32Å; A42-T176 WeakPolarHBondContact O-CA 3.46Å; T45-T176 PolarHBondContact N-OG1 3.29Å; T45-T176 WeakPolarHBondContact OG1-CB 3.35Å; T45-T176 WeakPolarHBondContact OG1-CG2 3.47Å; T45-T176 PolarHBondContact OG1-OG1 3.01Å; N160-T176 CarbonylContact C-O 3.56Å; N160-T176 VanDerWaalsContact CA-O 3.25Å; N160-T176 WeakPolarHBondContact CA-O 3.4Å; N160-T176 VanDerWaalsContact CB-O 3.25Å; N160-T176 WeakPolarHBondContact CB-O 3.31Å; N160-T176 PolarHBondContact ND2-O 3.14Å; N160-T176 PolarHBondContact O-N 2.97Å; T176-N178 PolarHBondContact OG1-O 3.32Å; T176-N178 VanDerWaalsContact OG1-O 3.13Å; T176-I179 HydrophobicContact CG2-CD1 4.16Å; T176-I179 HydrophobicContact CG2-CG1 3.59Å
177	K	98.8	Very high	97.7	Very high	128 Å²	128	39.5 Å²	39.5	56%	0.557	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.3	-45.8	177.8	-60.7	176.4	-171	162.7	0	111.6	A42 D43 N160 N349	A42-K177 PolarHBondContact O-N 3.05Å; A42-K177 VanDerWaalsContact O-N 3.11Å; D43-K177 WeakPolarHBondContact OD1-CD 3.47Å; D43-K177 VanDerWaalsContact OD1-CE 3.24Å; D43-K177 WeakPolarHBondContact OD1-CE 3.4Å; D43-K177 IonicContact OD1-NZ 2.65Å; D43-K177 PolarHBondContact OD1-NZ 3.42Å; N160-K177 PolarHBondContact ND2-O 3.35Å; N160-K177 VanDerWaalsContact ND2-O 3.13Å; K177-N349 PolarHBondContact O-ND2 3.16Å
178	N	98.9	Very high	98	Very high	27 Å²	27	34.2 Å²	34.2	14%	0.144	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	144	-177.8	-55	-83	0	0	0	111.7	D43 V44 T45 T176 N349 Y351 M377	D43-N178 PolarHBondContact O-N 3.04Å; D43-N178 PolarHBondContact O-ND2 3.06Å; V44-N178 CarbonylContact C-O 3.58Å; V44-N178 WeakPolarHBondContact CA-O 3.38Å; V44-N178 HydrophobicContact CG2-CB 4.4Å; T45-N178 PolarHBondContact N-O 3.27Å; T176-N178 PolarHBondContact OG1-O 3.32Å; T176-N178 VanDerWaalsContact OG1-O 3.13Å; N178-N349 WeakPolarHBondContact CA-O 3.32Å; N178-Y351 HydrophobicContact CB-CE2 4.19Å; N178-M377 HydrophobicContact CB-SD 3.9Å
179	I	98.9	Very high	98.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	130.3	176.3	-58	175	0	0	0	108.8	T45 I47 I156 V162 T176 N349 I350 Y351	T45-I179 WeakPolarHBondContact O-CA 3.33Å; I47-I179 HydrophobicContact CD1-CG2 3.86Å; I47-I179 HydrophobicContact CG1-CG2 4.36Å; I156-I179 HydrophobicContact CD1-CG2 3.95Å; I156-I179 HydrophobicContact CG1-CD1 4.41Å; I156-I179 HydrophobicContact CG1-CG2 4.2Å; I156-I179 HydrophobicContact CG2-CD1 3.62Å; V162-I179 HydrophobicContact CG2-CD1 3.74Å; V162-I179 HydrophobicContact CG2-CG1 3.99Å; V162-I179 HydrophobicContact CG2-CG2 4.14Å; T176-I179 HydrophobicContact CG2-CD1 4.16Å; T176-I179 HydrophobicContact CG2-CG1 3.59Å; I179-N349 PolarHBondContact N-O 2.93Å; I179-I350 HydrophobicContact CB-CG1 4.27Å; I179-I350 HydrophobicContact CB-CG2 4.39Å; I179-I350 HydrophobicContact CD1-CD1 4.4Å; I179-I350 HydrophobicContact CD1-CG1 4.35Å; I179-I350 CarbonylContact O-C 3.57Å; I179-I350 WeakPolarHBondContact O-CA 3.48Å; I179-Y351 PolarHBondContact O-N 3.01Å
180	L	98.9	Very high	98.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	113	178.6	-179.3	59	0	0	0	110.4	T45 V46 I47 A56 A182 I353 V374 M377	T45-L180 PolarHBondContact O-N 3.45Å; V46-L180 CarbonylContact C-O 3.6Å; V46-L180 WeakPolarHBondContact CA-O 3.16Å; V46-L180 HydrophobicContact CG1-CB 4.36Å; V46-L180 HydrophobicContact CG1-CD2 4.28Å; V46-L180 HydrophobicContact CG1-CG 4.29Å; V46-L180 HydrophobicContact CG2-CB 4.25Å; V46-L180 HydrophobicContact CG2-CD2 4.13Å; I47-L180 PolarHBondContact N-O 2.85Å; A56-L180 HydrophobicContact CB-CD2 3.44Å; A56-L180 VanDerWaalsContact CB-CD2 3.44Å; L180-A182 PolarHBondContact O-N 3.16Å; L180-I353 HydrophobicContact CD1-CD1 4.05Å; L180-I353 HydrophobicContact CD1-CG1 3.94Å; L180-I353 HydrophobicContact CD1-CG2 3.95Å; L180-I353 HydrophobicContact CD2-CD1 3.96Å; L180-I353 HydrophobicContact CG-CD1 4.11Å; L180-I353 HydrophobicContact CG-CG1 4.32Å; L180-V374 HydrophobicContact CD2-CG1 3.93Å; L180-M377 HydrophobicContact CB-CE 4.33Å; L180-M377 HydrophobicContact CD1-CE 4.28Å; L180-M377 HydrophobicContact CD2-CE 4.37Å
181	I	98.9	Very high	98.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	110.7	-179.1	-56.6	165.7	0	0	0	109.1	I156 T183 L322 L324 I337 I350 Y351 A352 I353 V356	I156-I181 HydrophobicContact CD1-CD1 4.03Å; I156-I181 HydrophobicContact CD1-CG1 4.24Å; I181-T183 HydrophobicContact CG2-CG2 4.04Å; I181-T183 WeakPolarHBondContact CG2-OG1 3.29Å; I181-L322 HydrophobicContact CD1-CD2 4.12Å; I181-L322 HydrophobicContact CG1-CD2 4.25Å; I181-L322 HydrophobicContact CG2-CD2 3.59Å; I181-L324 HydrophobicContact CD1-CD2 3.91Å; I181-I337 HydrophobicContact CB-CD1 4.32Å; I181-I337 HydrophobicContact CD1-CD1 3.8Å; I181-I337 HydrophobicContact CG2-CD1 3.81Å; I181-I350 HydrophobicContact CD1-CG2 3.82Å; I181-I350 HydrophobicContact CG1-CG2 4.4Å; I181-Y351 WeakPolarHBondContact CB-O 3.45Å; I181-Y351 WeakPolarHBondContact CG1-O 3.35Å; I181-Y351 PolarHBondContact N-O 2.96Å; I181-A352 HydrophobicContact CB-CB 4Å; I181-A352 WeakPolarHBondContact O-CA 3.42Å; I181-I353 PolarHBondContact O-N 2.66Å; I181-V356 HydrophobicContact CG2-CG1 4.23Å
182	A	98.9	Very high	98.4	Very high	8 Å²	8	36.1 Å²	36.1	7%	0.066	22%	0.222	C	C	.	.			trans	-125.2	32.3	177.1	0	0	0	0	0	111	V46 I47 G53 L180 G184 I353	V46-A182 HydrophobicContact CG1-CB 4.08Å; I47-A182 CarbonylContact O-C 3.4Å; I47-A182 WeakPolarHBondContact O-CA 3.22Å; I47-A182 PolarHBondContact O-N 3.23Å; G53-A182 VanDerWaalsContact CA-CB 3.4Å; L180-A182 PolarHBondContact O-N 3.16Å; A182-G184 PolarHBondContact O-N 2.95Å; A182-G184 VanDerWaalsContact O-N 3.17Å; A182-I353 HydrophobicContact CB-CD1 4.12Å; A182-I353 HydrophobicContact CB-CG1 3.97Å
183	T	98.9	Very high	98.4	Very high	33 Å²	33	35.5 Å²	35.5	20%	0.202	22%	0.219	C	C	.	.			trans	-68.1	-12.5	-173.4	50.2	0	0	0	0	114.3	I47 I181 F318 L322	I47-T183 HydrophobicContact CB-CG2 4.38Å; I47-T183 HydrophobicContact CG2-CG2 3.83Å; I47-T183 PolarHBondContact O-N 2.81Å; I181-T183 HydrophobicContact CG2-CG2 4.04Å; I181-T183 WeakPolarHBondContact CG2-OG1 3.29Å; T183-F318 VanDerWaalsContact CB-O 3.24Å; T183-F318 WeakPolarHBondContact CB-O 3.37Å; T183-F318 PolarHBondContact OG1-O 2.83Å; T183-L322 HydrophobicContact CG2-CD1 4.24Å; T183-L322 HydrophobicContact CG2-CD2 4.19Å
184	G	98.7	Very high	98.3	Very high	16 Å²	16	39.7 Å²	39.7	17%	0.165	25%	0.245	C	C	.	.			trans	73.2	-135.9	167.9	0	0	0	0	0	114	A182 F318	A182-G184 PolarHBondContact O-N 2.95Å; A182-G184 VanDerWaalsContact O-N 3.17Å; G184-F318 PolarHBondContact O-N 3.11Å
185	S	98.8	Very high	98.3	Very high	11 Å²	11	41.9 Å²	41.9	8%	0.077	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	162.6	-171.7	60.5	0	0	0	0	113.7	R315 R316 D355 M361	S185-R315 VanDerWaalsContact C-NH2 3.29Å; S185-R315 PolarHBondContact O-NH2 2.76Å; S185-R315 VanDerWaalsContact OG-CZ 3.29Å; S185-R315 PolarHBondContact OG-NE 2.94Å; S185-R315 PolarHBondContact OG-NH2 3.45Å; S185-R316 CarbonylContact C-O 3.56Å; S185-R316 WeakPolarHBondContact CA-O 3.34Å; S185-R316 WeakPolarHBondContact CB-O 3.4Å; S185-D355 VanDerWaalsContact CB-OD2 3.23Å; S185-D355 WeakPolarHBondContact CB-OD2 3.44Å; S185-D355 PolarHBondContact OG-OD2 3.13Å; S185-M361 VanDerWaalsContact CB-CE 3.49Å
186	E	98.6	Very high	98.3	Very high	62 Å²	62	42.5 Å²	42.5	29%	0.29	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	171.8	166.2	60.1	174.2	-153.1	0	0	111.5	R315 R316 F318	E186-R315 CarbonylContact O-C 3.52Å; E186-R315 VanDerWaalsContact O-CA 3.26Å; E186-R315 WeakPolarHBondContact O-CA 3.43Å; E186-R315 WeakPolarHBondContact O-CB 3.48Å; E186-R316 HydrophobicContact CG-CG 3.83Å; E186-R316 PolarHBondContact N-O 3.47Å; E186-R316 PolarHBondContact O-N 3.42Å; E186-R316 IonicContact OE1-CZ 3.18Å; E186-R316 IonicContact OE1-NE 3.4Å; E186-R316 PolarHBondContact OE1-NE 3.19Å; E186-R316 IonicContact OE1-NH2 3.59Å; E186-R316 PolarHBondContact OE1-NH2 3.5Å; E186-F318 HydrophobicContact CB-CD2 4.21Å; E186-F318 HydrophobicContact CG-CD2 4.12Å; E186-F318 WeakPolarHBondContact OE2-CD2 3.47Å; E186-F318 WeakPolarHBondContact OE2-CE2 3.45Å
187	V	98.4	Very high	98.3	Very high	31 Å²	31	45.9 Å²	45.9	19%	0.188	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	136.4	175.6	177.8	0	0	0	0	109.3	P189 I195	V187-P189 VanDerWaalsContact O-CD 3.32Å; V187-P189 WeakPolarHBondContact O-CD 3.49Å; V187-I195 HydrophobicContact CG1-CD1 4.44Å
188	T	98.4	Very high	98.2	Very high	38 Å²	38	45.3 Å²	45.3	23%	0.233	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-74.8	116.8	173.2	-61.2	0	0	0	0	109.4	I313 G314 R315	T188-I313 HydrophobicContact CG2-CD1 3.98Å; T188-I313 HydrophobicContact CG2-CG1 4.35Å; T188-G314 PolarHBondContact N-O 2.95Å; T188-R315 WeakPolarHBondContact OG1-CA 3.38Å; T188-R315 PolarHBondContact OG1-N 3.1Å; T188-R315 PolarHBondContact OG1-O 2.64Å
189	P	97	Very high	98.2	Very high	61 Å²	61	45.4 Å²	45.4	40%	0.396	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-71.6	142.5	179.3	30.4	-34.9	0	0	0	110.8	V187	V187-P189 VanDerWaalsContact O-CD 3.32Å; V187-P189 WeakPolarHBondContact O-CD 3.49Å
190	F	97.8	Very high	98.2	Very high	37 Å²	37	45.6 Å²	45.6	16%	0.162	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-84.4	121.6	175	-169.9	-70.5	0	0	0	109.8	G192 I193 I219 V278 V311 I313	F190-G192 PolarHBondContact O-N 2.67Å; F190-I193 HydrophobicContact CB-CB 4.2Å; F190-I193 HydrophobicContact CD1-CB 3.97Å; F190-I193 HydrophobicContact CD1-CD1 3.53Å; F190-I193 HydrophobicContact CD1-CG1 3.67Å; F190-I193 HydrophobicContact CE1-CD1 3.76Å; F190-I193 HydrophobicContact CE1-CG1 4.14Å; F190-I193 HydrophobicContact CG-CB 4.37Å; F190-I193 HydrophobicContact CG-CD1 4.04Å; F190-I193 HydrophobicContact CG-CG1 4.4Å; F190-I193 HydrophobicContact CZ-CD1 4.42Å; F190-I193 PolarHBondContact O-N 3.42Å; F190-I219 HydrophobicContact CD2-CD1 4.39Å; F190-I219 HydrophobicContact CD2-CG2 4.15Å; F190-I219 HydrophobicContact CE2-CG2 4.05Å; F190-V278 HydrophobicContact CE1-CG1 4.48Å; F190-V278 HydrophobicContact CE2-CB 4.17Å; F190-V278 HydrophobicContact CZ-CB 3.91Å; F190-V278 HydrophobicContact CZ-CG1 4.05Å; F190-V311 HydrophobicContact CB-CG1 3.82Å; F190-I313 HydrophobicContact CB-CD1 4.06Å; F190-I313 HydrophobicContact CD2-CD1 4.02Å; F190-I313 HydrophobicContact CD2-CG2 3.9Å; F190-I313 HydrophobicContact CE2-CG2 4.4Å; F190-I313 HydrophobicContact CG-CD1 4.43Å
191	P	96.6	Very high	98.2	Very high	115 Å²	115	45.6 Å²	45.6	75%	0.747	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	122.3	-179.6	-25.7	35.5	0	0	0	112.4
192	G	95.9	Very high	98.2	Very high	80 Å²	80	45.7 Å²	45.7	83%	0.825	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	-0	-178.1	0	0	0	0	0	115.8	F190	F190-G192 PolarHBondContact O-N 2.67Å
193	I	98.1	Very high	98.2	Very high	8 Å²	8	45.9 Å²	45.9	4%	0.041	28%	0.282	C	S	.	.			trans	-121.9	108.4	174.3	-60.7	178.6	0	0	0	109.6	F190 I200 I219 V278 A281 L309 V311	F190-I193 HydrophobicContact CB-CB 4.2Å; F190-I193 HydrophobicContact CD1-CB 3.97Å; F190-I193 HydrophobicContact CD1-CD1 3.53Å; F190-I193 HydrophobicContact CD1-CG1 3.67Å; F190-I193 HydrophobicContact CE1-CD1 3.76Å; F190-I193 HydrophobicContact CE1-CG1 4.14Å; F190-I193 HydrophobicContact CG-CB 4.37Å; F190-I193 HydrophobicContact CG-CD1 4.04Å; F190-I193 HydrophobicContact CG-CG1 4.4Å; F190-I193 HydrophobicContact CZ-CD1 4.42Å; F190-I193 PolarHBondContact O-N 3.42Å; I193-I200 HydrophobicContact CG2-CD1 4.12Å; I193-I200 HydrophobicContact CG2-CG2 3.78Å; I193-I219 HydrophobicContact CD1-CD1 3.92Å; I193-V278 HydrophobicContact CD1-CG1 3.88Å; I193-A281 HydrophobicContact CD1-CB 3.73Å; I193-A281 HydrophobicContact CG1-CB 4.04Å; I193-A281 HydrophobicContact CG2-CB 4.39Å; I193-L309 HydrophobicContact CG2-CD2 4.26Å; I193-V311 HydrophobicContact CG2-CG2 4.2Å
194	T	98.2	Very high	98.1	Very high	117 Å²	117	46.9 Å²	46.9	72%	0.718	29%	0.288	S	S	*	.			trans	-84.7	115.1	178.9	-51.6	0	0	0	0	111.1
195	I	98.6	Very high	98.1	Very high	46 Å²	46	46.5 Å²	46.5	24%	0.236	28%	0.284	C	S	.	.			trans	-67.4	132	168.5	-65.2	165.4	0	0	0	108.9	V187 E197 I200 V311	V187-I195 HydrophobicContact CG1-CD1 4.44Å; I195-E197 HydrophobicContact CG2-CG 3.93Å; I195-I200 CarbonylContact C-O 3.33Å; I195-I200 WeakPolarHBondContact CA-O 3.2Å; I195-I200 HydrophobicContact CG1-CG2 4.22Å; I195-I200 WeakPolarHBondContact CG2-O 3.31Å; I195-V311 HydrophobicContact CD1-CB 3.99Å; I195-V311 HydrophobicContact CD1-CG1 4.24Å; I195-V311 HydrophobicContact CD1-CG2 4.42Å; I195-V311 HydrophobicContact CG1-CB 4.18Å; I195-V311 HydrophobicContact CG1-CG2 4.06Å
196	D	98	Very high	98.1	Very high	67 Å²	67	46 Å²	46	36%	0.358	28%	0.28	S	S	.	.			trans	-114.3	-9.6	172.7	69.4	-13.7	0	0	0	113.9	D198 T199 I200 K283	D196-D198 PolarHBondContact O-N 3.34Å; D196-D198 PolarHBondContact OD1-N 3.21Å; D196-T199 PolarHBondContact OD1-N 3.08Å; D196-T199 PolarHBondContact OD2-OG1 2.81Å; D196-T199 VanDerWaalsContact OD2-OG1 3.1Å; D196-I200 PolarHBondContact N-O 3.01Å; D196-I200 PolarHBondContact OD1-N 2.88Å; D196-K283 IonicContact OD1-NZ 2.97Å; D196-K283 IonicContact OD2-NZ 2.67Å; D196-K283 PolarHBondContact OD2-NZ 3.28Å
197	E	98.4	Very high	98.1	Very high	78 Å²	78	43.2 Å²	43.2	36%	0.364	27%	0.268	S	S	.	.	S	Bend	trans	61.5	20.5	-173.8	-53.2	-71.1	-162.5	0	0	114.7	I195 I200 V201 S202 G205	I195-E197 HydrophobicContact CG2-CG 3.93Å; E197-I200 PolarHBondContact N-O 3.34Å; E197-I200 VanDerWaalsContact N-O 3.1Å; E197-V201 WeakPolarHBondContact OE2-CA 3.2Å; E197-S202 VanDerWaalsContact OE1-CB 3.23Å; E197-S202 WeakPolarHBondContact OE1-CB 3.11Å; E197-S202 PolarHBondContact OE1-OG 2.85Å; E197-S202 PolarHBondContact OE2-N 3.24Å; E197-S202 PolarHBondContact OE2-OG 3.28Å; E197-G205 VanDerWaalsContact OE2-CA 3.27Å; E197-G205 WeakPolarHBondContact OE2-CA 3.41Å; E197-G205 PolarHBondContact OE2-N 3.31Å
198	D	97.4	Very high	98.1	Very high	117 Å²	117	43.9 Å²	43.9	63%	0.626	27%	0.273	S	S	*	.	S	Bend	trans	-118.2	-60.8	172	179	41.1	0	0	0	110.9	D196	D196-D198 PolarHBondContact O-N 3.34Å; D196-D198 PolarHBondContact OD1-N 3.21Å
199	T	98.2	Very high	98.2	Very high	28 Å²	28	42.9 Å²	42.9	17%	0.172	27%	0.267	C	S	.	.	S	Bend	trans	-114.1	-36.8	-178.5	55.2	0	0	0	0	112.6	D196 K283 I289 V308 L309	D196-T199 PolarHBondContact OD1-N 3.08Å; D196-T199 PolarHBondContact OD2-OG1 2.81Å; D196-T199 VanDerWaalsContact OD2-OG1 3.1Å; T199-K283 WeakPolarHBondContact OG1-CE 3.23Å; T199-K283 PolarHBondContact OG1-NZ 2.87Å; T199-I289 WeakPolarHBondContact O-CD1 3.19Å; T199-V308 WeakPolarHBondContact O-CA 3.43Å; T199-L309 PolarHBondContact O-N 3.21Å
200	I	98.8	Very high	98.2	Very high	5 Å²	5	48 Å²	48	3%	0.026	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	103.7	168	-59.6	-178.1	0	0	0	106.8	I193 I195 D196 E197 K283 I289 L309 V311	I193-I200 HydrophobicContact CG2-CD1 4.12Å; I193-I200 HydrophobicContact CG2-CG2 3.78Å; I195-I200 CarbonylContact C-O 3.33Å; I195-I200 WeakPolarHBondContact CA-O 3.2Å; I195-I200 HydrophobicContact CG1-CG2 4.22Å; I195-I200 WeakPolarHBondContact CG2-O 3.31Å; D196-I200 PolarHBondContact N-O 3.01Å; D196-I200 PolarHBondContact OD1-N 2.88Å; E197-I200 PolarHBondContact N-O 3.34Å; E197-I200 VanDerWaalsContact N-O 3.1Å; I200-K283 HydrophobicContact CD1-CD 4.47Å; I200-K283 VanDerWaalsContact CD1-CE 3.41Å; I200-K283 HydrophobicContact CD1-CG 4.24Å; I200-K283 VanDerWaalsContact CG1-CE 3.44Å; I200-I289 HydrophobicContact CD1-CD1 4.48Å; I200-I289 HydrophobicContact CG1-CD1 3.6Å; I200-I289 HydrophobicContact CG1-CG1 4.21Å; I200-L309 CarbonylContact C-O 3.52Å; I200-L309 WeakPolarHBondContact CA-O 3.47Å; I200-L309 HydrophobicContact CD1-CD2 4.3Å; I200-L309 HydrophobicContact CG1-CB 4.21Å; I200-L309 HydrophobicContact CG1-CD2 4.28Å; I200-L309 HydrophobicContact CG2-CD2 4.26Å; I200-L309 HydrophobicContact CG2-CG 4.48Å; I200-V311 HydrophobicContact CG2-CG2 3.87Å
201	V	98.9	Very high	98.3	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	150.9	-167.9	-59.5	0	0	0	0	111.7	E197 A206 L209 V308 L309 L310 V311	E197-V201 WeakPolarHBondContact OE2-CA 3.2Å; V201-A206 HydrophobicContact CG2-CB 3.81Å; V201-L209 HydrophobicContact CG1-CD2 4.03Å; V201-V308 HydrophobicContact CG1-CG1 4.49Å; V201-V308 HydrophobicContact CG2-CG1 3.81Å; V201-L309 PolarHBondContact N-O 3.48Å; V201-L310 HydrophobicContact CG2-CB 4.21Å; V201-L310 HydrophobicContact CG2-CD1 4.37Å; V201-L310 WeakPolarHBondContact O-CA 3.33Å; V201-V311 PolarHBondContact O-N 3.45Å
202	S	98.9	Very high	98.4	Very high	2 Å²	2	50 Å²	50	1%	0.014	28%	0.283	C	S	.	.			trans	-83.9	-171.6	158.6	81.7	0	0	0	0	110.1	E197 T204 G205 A206 L310	E197-S202 VanDerWaalsContact OE1-CB 3.23Å; E197-S202 WeakPolarHBondContact OE1-CB 3.11Å; E197-S202 PolarHBondContact OE1-OG 2.85Å; E197-S202 PolarHBondContact OE2-N 3.24Å; E197-S202 PolarHBondContact OE2-OG 3.28Å; S202-T204 PolarHBondContact O-N 3.34Å; S202-T204 VanDerWaalsContact O-N 3.16Å; S202-T204 WeakPolarHBondContact OG-CB 3.4Å; S202-T204 PolarHBondContact OG-N 2.91Å; S202-T204 PolarHBondContact OG-OG1 2.83Å; S202-G205 PolarHBondContact O-N 3.18Å; S202-A206 VanDerWaalsContact O-CB 3.29Å; S202-A206 WeakPolarHBondContact O-CB 3.16Å; S202-A206 PolarHBondContact O-N 3.06Å; S202-L310 VanDerWaalsContact C-CD1 3.41Å; S202-L310 WeakPolarHBondContact O-CD1 3.45Å
203	S	98.6	Very high	98.5	Very high	12 Å²	12	46.4 Å²	46.4	8%	0.084	25%	0.245	C	C	.	.	H	α-helix	trans	-53.8	-28.6	166.1	56	0	0	0	0	112.7	L207	S203-L207 WeakPolarHBondContact O-CB 3.38Å; S203-L207 WeakPolarHBondContact O-CD1 3.2Å; S203-L207 WeakPolarHBondContact O-CG 3.28Å; S203-L207 PolarHBondContact O-N 2.76Å; S203-L207 VanDerWaalsContact O-N 3.12Å
204	T	98.6	Very high	98.5	Very high	53 Å²	53	52.7 Å²	52.7	33%	0.325	27%	0.274	S	S	.	.	H	α-helix	trans	-69	-53.4	-178.1	-48.6	0	0	0	0	112.1	V83 S202 L207	V83-T204 HydrophobicContact CB-CG2 4.24Å; V83-T204 HydrophobicContact CG1-CG2 3.81Å; S202-T204 PolarHBondContact O-N 3.34Å; S202-T204 VanDerWaalsContact O-N 3.16Å; S202-T204 WeakPolarHBondContact OG-CB 3.4Å; S202-T204 PolarHBondContact OG-N 2.91Å; S202-T204 PolarHBondContact OG-OG1 2.83Å; T204-L207 PolarHBondContact O-N 3.47Å
205	G	98.7	Very high	98.6	Very high	8 Å²	8	50 Å²	50	8%	0.082	25%	0.252	C	S	.	.	H	α-helix	trans	-65.3	-40.8	174.9	0	0	0	0	0	112.2	E197 S202 L207 S208 L209	E197-G205 VanDerWaalsContact OE2-CA 3.27Å; E197-G205 WeakPolarHBondContact OE2-CA 3.41Å; E197-G205 PolarHBondContact OE2-N 3.31Å; S202-G205 PolarHBondContact O-N 3.18Å; G205-L207 PolarHBondContact O-N 2.69Å; G205-L207 VanDerWaalsContact O-N 3.16Å; G205-S208 CarbonylContact O-C 3.57Å; G205-S208 WeakPolarHBondContact O-CA 3.34Å; G205-S208 PolarHBondContact O-N 2.78Å; G205-L209 WeakPolarHBondContact O-CD2 3.43Å; G205-L209 PolarHBondContact O-N 2.99Å
206	A	98.8	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.1	-21.7	176.5	0	0	0	0	0	114.1	V201 S202 S208 L228 W232 L310	V201-A206 HydrophobicContact CG2-CB 3.81Å; S202-A206 VanDerWaalsContact O-CB 3.29Å; S202-A206 WeakPolarHBondContact O-CB 3.16Å; S202-A206 PolarHBondContact O-N 3.06Å; A206-S208 VanDerWaalsContact C-N 3.31Å; A206-L228 HydrophobicContact CB-CD1 4.11Å; A206-W232 WeakPolarHBondContact O-CZ2 3.19Å; A206-W232 PolarHBondContact O-NE1 3.19Å; A206-L310 HydrophobicContact CB-CD1 3.92Å; A206-L310 HydrophobicContact CB-CD2 4.26Å
207	L	98.8	Very high	98.6	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.026	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-1.8	172	-75	167.8	0	0	0	113.6	P87 L91 M124 K127 S203 T204 G205 L228	P87-L207 HydrophobicContact CB-CD1 4.17Å; P87-L207 HydrophobicContact CB-CD2 4.26Å; P87-L207 HydrophobicContact CG-CD1 3.95Å; L91-L207 HydrophobicContact CD1-CD2 3.96Å; M124-L207 VanDerWaalsContact SD-O 3.35Å; K127-L207 PolarHBondContact NZ-O 2.73Å; S203-L207 WeakPolarHBondContact O-CB 3.38Å; S203-L207 WeakPolarHBondContact O-CD1 3.2Å; S203-L207 WeakPolarHBondContact O-CG 3.28Å; S203-L207 PolarHBondContact O-N 2.76Å; S203-L207 VanDerWaalsContact O-N 3.12Å; T204-L207 PolarHBondContact O-N 3.47Å; G205-L207 PolarHBondContact O-N 2.69Å; G205-L207 VanDerWaalsContact O-N 3.16Å; L207-L228 HydrophobicContact CD2-CD2 3.51Å; L207-L228 HydrophobicContact CG-CD2 3.98Å
208	S	98.5	Very high	98.7	Very high	44 Å²	44	40.9 Å²	40.9	31%	0.308	21%	0.206	S	C	.	.	S	Bend	trans	-143.4	13.6	-166.7	-59.1	0	0	0	0	115.6	K127 G205 A206 K210	K127-S208 PolarHBondContact NZ-OG 2.92Å; G205-S208 CarbonylContact O-C 3.57Å; G205-S208 WeakPolarHBondContact O-CA 3.34Å; G205-S208 PolarHBondContact O-N 2.78Å; A206-S208 VanDerWaalsContact C-N 3.31Å; S208-K210 PolarHBondContact O-NZ 3Å
209	L	98.7	Very high	98.7	Very high	17 Å²	17	35.6 Å²	35.6	9%	0.089	18%	0.178	C	C	.	.			trans	-54	144.5	176.4	-53.7	-179	0	0	0	111.9	V201 G205 P213 W232 V308	V201-L209 HydrophobicContact CG1-CD2 4.03Å; G205-L209 WeakPolarHBondContact O-CD2 3.43Å; G205-L209 PolarHBondContact O-N 2.99Å; L209-P213 HydrophobicContact CD1-CG 4.42Å; L209-W232 HydrophobicContact CB-CH2 3.78Å; L209-W232 HydrophobicContact CB-CZ2 3.76Å; L209-W232 HydrophobicContact CD1-CD2 4.12Å; L209-W232 HydrophobicContact CD1-CH2 4.26Å; L209-W232 HydrophobicContact CD1-CZ2 3.76Å; L209-W232 HydrophobicContact CG-CH2 4.32Å; L209-W232 HydrophobicContact CG-CZ2 3.81Å; L209-V308 HydrophobicContact CD1-CG1 4.25Å; L209-V308 HydrophobicContact CD1-CG2 4.42Å; L209-V308 HydrophobicContact CD2-CG1 4.42Å
210	K	98.4	Very high	98.7	Very high	170 Å²	170	34.5 Å²	34.5	74%	0.739	17%	0.173	S	C	*	.	S	Bend	trans	-89.2	-8.2	-175.7	-51	-51.3	175.8	-150.5	0	114.7	S208	S208-K210 PolarHBondContact O-NZ 3Å
211	K	98.6	Very high	98.7	Very high	155 Å²	155	34.3 Å²	34.3	67%	0.674	17%	0.172	S	C	*	.	S	Bend	trans	-149.9	157.7	174.4	58.4	176.4	-179.6	175.2	0	108.5
212	V	98.8	Very high	98.7	Very high	39 Å²	39	35.4 Å²	35.4	24%	0.236	18%	0.183	C	C	.	.			trans	-65.8	128.7	163.4	-176.5	0	0	0	0	107.3	L118 W232 L235 A237	L118-V212 HydrophobicContact CD2-CG2 3.54Å; V212-W232 HydrophobicContact CB-CE3 4.45Å; V212-W232 HydrophobicContact CG1-CE3 4.38Å; V212-W232 HydrophobicContact CG2-CE3 4.22Å; V212-W232 HydrophobicContact CG2-CZ3 4.05Å; V212-L235 HydrophobicContact CG1-CB 4.35Å; V212-L235 HydrophobicContact CG2-CB 3.81Å; V212-A237 HydrophobicContact CG1-CB 4Å
213	P	98.7	Very high	98.6	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.019	20%	0.197	C	C	.	.			trans	-69.9	145.3	172.9	28.4	-32.5	0	0	0	110.2	L209 K215 M216 A237 D307 V308	L209-P213 HydrophobicContact CD1-CG 4.42Å; P213-K215 VanDerWaalsContact C-N 3.35Å; P213-M216 HydrophobicContact CG-CB 4.01Å; P213-M216 HydrophobicContact CG-CG 4.48Å; P213-M216 HydrophobicContact CG-SD 4.32Å; P213-A237 HydrophobicContact CG-CB 3.98Å; P213-A237 WeakPolarHBondContact O-CA 3.36Å; P213-A237 WeakPolarHBondContact O-CB 3.44Å; P213-D307 HydrophobicContact CB-CB 4.34Å; P213-V308 HydrophobicContact CB-CB 4.12Å; P213-V308 HydrophobicContact CB-CG2 3.85Å; P213-V308 HydrophobicContact CG-CB 4.4Å; P213-V308 HydrophobicContact CG-CG2 4.39Å
214	E	98.8	Very high	98.7	Very high	140 Å²	140	40 Å²	40	65%	0.654	21%	0.208	S	C	*	.	S	Bend	trans	-61.9	-47.4	172.1	175.8	-168	-171.4	0	0	109.4	D238 K288 D307	E214-D238 PolarHBondContact O-N 2.67Å; E214-K288 IonicContact OE2-NZ 2.65Å; E214-K288 PolarHBondContact OE2-NZ 2.75Å; E214-D307 WeakPolarHBondContact CB-OD2 3.46Å
215	K	98.9	Very high	98.7	Very high	60 Å²	60	37.6 Å²	37.6	26%	0.261	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	135.8	176.7	-172.1	173.2	177.3	-154.5	0	112.3	P213 D238 T305 C306 D307 V308	P213-K215 VanDerWaalsContact C-N 3.35Å; K215-D238 CarbonylContact C-O 3.49Å; K215-D238 WeakPolarHBondContact CA-O 3.4Å; K215-D238 HydrophobicContact CB-CB 4.27Å; K215-D238 HydrophobicContact CG-CB 4.07Å; K215-D238 WeakPolarHBondContact CG-O 3.44Å; K215-T305 WeakPolarHBondContact CD-O 3.22Å; K215-T305 VanDerWaalsContact CE-O 3.27Å; K215-T305 WeakPolarHBondContact CE-O 3.43Å; K215-T305 PolarHBondContact NZ-O 3.18Å; K215-C306 HydrophobicContact CG-CB 4.33Å; K215-D307 PolarHBondContact N-OD2 2.62Å; K215-D307 PolarHBondContact O-N 3.09Å; K215-V308 PolarHBondContact O-N 3.48Å
216	M	98.9	Very high	98.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	133.2	-176	-173.3	179.1	-177.6	0	0	111.1	P213 V218 W232 D238 V239 T240 V308 L310	P213-M216 HydrophobicContact CG-CB 4.01Å; P213-M216 HydrophobicContact CG-CG 4.48Å; P213-M216 HydrophobicContact CG-SD 4.32Å; M216-V218 HydrophobicContact CE-CG2 4.34Å; M216-V218 HydrophobicContact CG-CG2 4.47Å; M216-W232 HydrophobicContact SD-CB 3.85Å; M216-W232 HydrophobicContact SD-CG 3.98Å; M216-D238 PolarHBondContact N-O 3.37Å; M216-V239 HydrophobicContact CB-CG2 4.27Å; M216-V239 WeakPolarHBondContact O-CA 3.5Å; M216-T240 PolarHBondContact O-N 3.02Å; M216-V308 WeakPolarHBondContact CA-O 3.19Å; M216-V308 HydrophobicContact CE-CG1 4.37Å; M216-V308 HydrophobicContact CG-CB 4.39Å; M216-V308 HydrophobicContact CG-CG1 4.4Å; M216-L310 HydrophobicContact CE-CB 3.56Å; M216-L310 HydrophobicContact CE-CD2 3.91Å; M216-L310 HydrophobicContact CE-CG 4.37Å
217	V	98.9	Very high	98.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	141	169.7	171.4	0	0	0	0	109.4	T240 V242 V291 I304 C306 V308 L309 L310	V217-T240 WeakPolarHBondContact CA-O 3.42Å; V217-V242 HydrophobicContact CG1-CG2 4.13Å; V217-V291 HydrophobicContact CB-CG2 4.43Å; V217-V291 HydrophobicContact CG1-CG2 4.28Å; V217-I304 HydrophobicContact CG2-CB 4.31Å; V217-I304 HydrophobicContact CG2-CG2 3.71Å; V217-C306 HydrophobicContact CB-CB 4.25Å; V217-C306 HydrophobicContact CG2-CB 3.74Å; V217-V308 PolarHBondContact N-O 2.82Å; V217-L309 HydrophobicContact CB-CD1 3.84Å; V217-L309 HydrophobicContact CG1-CD1 3.65Å; V217-L309 WeakPolarHBondContact O-CA 3.33Å; V217-L310 PolarHBondContact O-N 2.87Å
218	V	98.9	Very high	98.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	122.2	-179.1	-177	0	0	0	0	108.7	M216 V239 T240 A241 V242 L310 C312	M216-V218 HydrophobicContact CE-CG2 4.34Å; M216-V218 HydrophobicContact CG-CG2 4.47Å; V218-V239 HydrophobicContact CG2-CG1 3.94Å; V218-T240 PolarHBondContact N-O 3.32Å; V218-A241 HydrophobicContact CB-CB 4.27Å; V218-A241 CarbonylContact O-C 3.58Å; V218-A241 WeakPolarHBondContact O-CA 3.45Å; V218-V242 PolarHBondContact O-N 3.08Å; V218-L310 HydrophobicContact CG1-CB 4.46Å; V218-L310 HydrophobicContact CG1-CD2 3.96Å; V218-L310 HydrophobicContact CG1-CG 4.16Å; V218-L310 HydrophobicContact CG2-CB 4.33Å; V218-L310 HydrophobicContact CG2-CD2 4.29Å; V218-C312 WeakPolarHBondContact CG1-SG 3.13Å
219	I	98.8	Very high	98.7	Very high	7 Å²	7	35.2 Å²	35.2	4%	0.036	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	108.1	176	-46.3	-177.4	0	0	0	109.1	F190 I193 V278 L309 L310 V311 C312 I313	F190-I219 HydrophobicContact CD2-CD1 4.39Å; F190-I219 HydrophobicContact CD2-CG2 4.15Å; F190-I219 HydrophobicContact CE2-CG2 4.05Å; I193-I219 HydrophobicContact CD1-CD1 3.92Å; I219-V278 HydrophobicContact CD1-CB 4.46Å; I219-V278 HydrophobicContact CD1-CG1 4.14Å; I219-V278 HydrophobicContact CD1-CG2 4.08Å; I219-V278 HydrophobicContact CG1-CG2 4.13Å; I219-V278 HydrophobicContact CG2-CG2 3.95Å; I219-L309 HydrophobicContact CD1-CD1 3.96Å; I219-L309 HydrophobicContact CD1-CD2 4.24Å; I219-L309 HydrophobicContact CD1-CG 4.33Å; I219-L309 HydrophobicContact CG1-CD1 3.75Å; I219-L310 PolarHBondContact N-O 3.24Å; I219-V311 HydrophobicContact CD1-CG2 4.36Å; I219-C312 CarbonylContact O-C 3.59Å; I219-C312 VanDerWaalsContact O-C 3.28Å; I219-C312 PolarHBondContact O-N 3.31Å; I219-C312 PolarHBondContact O-SG 3.44Å; I219-I313 HydrophobicContact CB-CG2 4.28Å; I219-I313 HydrophobicContact CG2-CG2 3.55Å; I219-I313 PolarHBondContact O-N 2.93Å
220	G	98.1	Very high	98.7	Very high	5 Å²	5	34.4 Å²	34.4	5%	0.052	17%	0.171	C	C	.	.			trans	103.2	124.7	-174.7	0	0	0	0	0	112.4	V242 E243	G220-V242 PolarHBondContact N-O 3.25Å; G220-E243 WeakPolarHBondContact CA-OE2 3.46Å
221	A	98.4	Very high	98.7	Very high	1 Å²	1	26.4 Å²	26.4	1%	0.008	14%	0.136	C	C	.	.			trans	-102.7	21.5	177.2	0	0	0	0	0	113.1	V226 A241 E243 V248 G249 F272	A221-V226 HydrophobicContact CB-CG1 4.48Å; A221-A241 HydrophobicContact CB-CB 4.27Å; A221-E243 HydrophobicContact CB-CB 3.74Å; A221-E243 HydrophobicContact CB-CG 4Å; A221-E243 PolarHBondContact N-OE2 2.81Å; A221-V248 HydrophobicContact CB-CB 4.34Å; A221-V248 HydrophobicContact CB-CG1 3.99Å; A221-G249 PolarHBondContact O-N 3.43Å; A221-F272 HydrophobicContact CB-CD1 4.32Å; A221-F272 HydrophobicContact CB-CE1 4.23Å
222	G	98.3	Very high	98.7	Very high	23 Å²	23	19 Å²	19	24%	0.237	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-69.1	172.3	165.6	0	0	0	0	0	112.9	I224 G225 V226	G222-I224 PolarHBondContact O-N 2.69Å; G222-I224 VanDerWaalsContact O-N 3.09Å; G222-G225 PolarHBondContact O-N 2.92Å; G222-V226 PolarHBondContact O-N 3.32Å; G222-V226 VanDerWaalsContact O-N 3.16Å
223	V	98.6	Very high	98.7	Very high	49 Å²	49	18.5 Å²	18.5	30%	0.297	10%	0.098	S	C	.	.	H	α-helix	trans	-34.5	-57.4	-175.5	-174.3	0	0	0	0	114.6	G225 V226 E227 G249 I393	V223-G225 VanDerWaalsContact C-N 3.34Å; V223-G225 PolarHBondContact O-N 3.27Å; V223-V226 VanDerWaalsContact O-CG2 3.3Å; V223-V226 WeakPolarHBondContact O-CG2 3.41Å; V223-V226 PolarHBondContact O-N 3.36Å; V223-E227 WeakPolarHBondContact O-CB 3.4Å; V223-E227 WeakPolarHBondContact O-CG 3.32Å; V223-E227 PolarHBondContact O-N 2.04Å; V223-G249 VanDerWaalsContact CG2-O 3.23Å; V223-G249 WeakPolarHBondContact CG2-O 3.47Å; V223-G249 PolarHBondContact N-O 3.48Å; V223-I393 HydrophobicContact CB-CG1 4.45Å; V223-I393 HydrophobicContact CG1-CB 4.44Å; V223-I393 HydrophobicContact CG1-CG1 4.09Å; V223-I393 HydrophobicContact CG1-CG2 4.29Å; V223-I393 HydrophobicContact CG2-CD1 4.18Å; V223-I393 HydrophobicContact CG2-CG1 3.98Å
224	I	98.6	Very high	98.8	Very high	62 Å²	62	19 Å²	19	32%	0.318	10%	0.1	S	C	.	.	H	α-helix	trans	-63.3	-38.8	-176.1	-62	174.7	0	0	0	111.8	G222 L228 C312	G222-I224 PolarHBondContact O-N 2.69Å; G222-I224 VanDerWaalsContact O-N 3.09Å; I224-L228 HydrophobicContact CG2-CD1 3.75Å; I224-L228 HydrophobicContact CG2-CG 4.31Å; I224-L228 WeakPolarHBondContact O-CB 2.99Å; I224-L228 WeakPolarHBondContact O-CG 3.47Å; I224-L228 PolarHBondContact O-N 3.05Å; I224-C312 HydrophobicContact CG2-CB 4.26Å
225	G	98.6	Very high	98.8	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	-69.9	-41.7	-178.9	0	0	0	0	0	112.8	G222 V223 G229 C312	G222-G225 PolarHBondContact O-N 2.92Å; V223-G225 VanDerWaalsContact C-N 3.34Å; V223-G225 PolarHBondContact O-N 3.27Å; G225-G229 WeakPolarHBondContact O-CA 3.09Å; G225-G229 PolarHBondContact O-N 3.42Å; G225-C312 WeakPolarHBondContact CA-SG 3.46Å
226	V	98.8	Very high	98.8	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-73.9	-35.1	176.2	-64.4	0	0	0	0	112.6	A221 G222 V223 S230 F261 L265 F272 I393	A221-V226 HydrophobicContact CB-CG1 4.48Å; G222-V226 PolarHBondContact O-N 3.32Å; G222-V226 VanDerWaalsContact O-N 3.16Å; V223-V226 VanDerWaalsContact O-CG2 3.3Å; V223-V226 WeakPolarHBondContact O-CG2 3.41Å; V223-V226 PolarHBondContact O-N 3.36Å; V226-S230 WeakPolarHBondContact O-CB 3.49Å; V226-S230 PolarHBondContact O-N 3.47Å; V226-F261 HydrophobicContact CG2-CE1 4.16Å; V226-F261 HydrophobicContact CG2-CZ 4.15Å; V226-L265 HydrophobicContact CB-CD1 4.23Å; V226-L265 HydrophobicContact CG1-CD1 4.3Å; V226-F272 HydrophobicContact CG1-CE1 4.12Å; V226-F272 HydrophobicContact CG1-CZ 4.37Å; V226-I393 HydrophobicContact CG2-CG2 3.78Å
227	E	98.9	Very high	98.8	Very high	6 Å²	6	13.1 Å²	13.1	3%	0.028	9%	0.091	C	C	.	.	H	α-helix	trans	-62.1	-59.1	172.6	-81.3	-169.3	-175.6	0	0	111.4	S88 K89 L92 V223 G229 S230 V231 I393 Y394	S88-E227 PolarHBondContact OG-OE2 3.43Å; K89-E227 IonicContact NZ-OE1 2.66Å; K89-E227 PolarHBondContact NZ-OE1 2.95Å; K89-E227 IonicContact NZ-OE2 2.63Å; K89-E227 PolarHBondContact NZ-OE2 3.24Å; L92-E227 HydrophobicContact CD1-CB 4.04Å; L92-E227 HydrophobicContact CD1-CG 3.81Å; L92-E227 HydrophobicContact CD2-CB 4.29Å; L92-E227 HydrophobicContact CD2-CG 4.46Å; V223-E227 WeakPolarHBondContact O-CB 3.4Å; V223-E227 WeakPolarHBondContact O-CG 3.32Å; V223-E227 PolarHBondContact O-N 2.04Å; E227-G229 VanDerWaalsContact C-N 3.34Å; E227-G229 PolarHBondContact O-N 2.97Å; E227-S230 PolarHBondContact O-N 3.36Å; E227-S230 VanDerWaalsContact O-N 3.15Å; E227-V231 PolarHBondContact O-N 3.41Å; E227-I393 HydrophobicContact CG-CG2 4.16Å; E227-Y394 PolarHBondContact OE1-N 2.78Å
228	L	98.9	Very high	98.7	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	10%	0.104	C	C	.	.	H	α-helix	trans	-68.3	-34.3	-175.8	-62.4	180	0	0	0	112.2	A206 L207 I224 V231 W232 L310	A206-L228 HydrophobicContact CB-CD1 4.11Å; L207-L228 HydrophobicContact CD2-CD2 3.51Å; L207-L228 HydrophobicContact CG-CD2 3.98Å; I224-L228 HydrophobicContact CG2-CD1 3.75Å; I224-L228 HydrophobicContact CG2-CG 4.31Å; I224-L228 WeakPolarHBondContact O-CB 2.99Å; I224-L228 WeakPolarHBondContact O-CG 3.47Å; I224-L228 PolarHBondContact O-N 3.05Å; L228-V231 PolarHBondContact O-N 2.91Å; L228-W232 PolarHBondContact O-N 2.93Å; L228-L310 HydrophobicContact CB-CD2 3.8Å; L228-L310 HydrophobicContact CD1-CD2 4.04Å
229	G	98.9	Very high	98.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-62.4	-42.8	170.7	0	0	0	0	0	112.3	G225 E227 V231 W232 Q233	G225-G229 WeakPolarHBondContact O-CA 3.09Å; G225-G229 PolarHBondContact O-N 3.42Å; E227-G229 VanDerWaalsContact C-N 3.34Å; E227-G229 PolarHBondContact O-N 2.97Å; G229-V231 PolarHBondContact O-N 2.63Å; G229-W232 PolarHBondContact O-N 3.31Å; G229-Q233 WeakPolarHBondContact O-CB 3.47Å; G229-Q233 PolarHBondContact O-N 3.35Å
230	S	98.9	Very high	98.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-67.8	-36	179.3	-166.3	0	0	0	0	111.9	V226 E227 R234	V226-S230 WeakPolarHBondContact O-CB 3.49Å; V226-S230 PolarHBondContact O-N 3.47Å; E227-S230 PolarHBondContact O-N 3.36Å; E227-S230 VanDerWaalsContact O-N 3.15Å; S230-R234 WeakPolarHBondContact O-CB 3.32Å; S230-R234 VanDerWaalsContact O-CD 3.28Å; S230-R234 WeakPolarHBondContact O-CD 3.23Å; S230-R234 WeakPolarHBondContact O-CG 3.24Å; S230-R234 PolarHBondContact O-N 2.93Å; S230-R234 PolarHBondContact OG-NE 2.93Å; S230-R234 VanDerWaalsContact OG-NE 3.12Å; S230-R234 PolarHBondContact OG-NH2 3.27Å
231	V	98.9	Very high	98.8	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	10%	0.103	C	C	.	.	H	α-helix	trans	-53.7	-59	170.4	171.1	0	0	0	0	110.8	L91 L92 E227 L228 G229 Q233 R234 L235	L91-V231 HydrophobicContact CB-CG1 3.9Å; L91-V231 HydrophobicContact CB-CG2 4.12Å; L92-V231 HydrophobicContact CB-CG2 4.43Å; L92-V231 HydrophobicContact CD2-CG2 3.64Å; L92-V231 HydrophobicContact CG-CG2 3.72Å; E227-V231 PolarHBondContact O-N 3.41Å; L228-V231 PolarHBondContact O-N 2.91Å; G229-V231 PolarHBondContact O-N 2.63Å; V231-Q233 PolarHBondContact O-N 3.21Å; V231-R234 PolarHBondContact O-N 3.38Å; V231-L235 HydrophobicContact CG1-CD1 4.21Å; V231-L235 WeakPolarHBondContact O-CG 3.42Å; V231-L235 PolarHBondContact O-N 2.98Å
232	W	98.9	Very high	98.8	Very high	1 Å²	1	15.5 Å²	15.5	0%	0.004	10%	0.103	C	C	.	.	H	α-helix	trans	-70.8	-31.7	-174	-67.7	112	0	0	0	113	L120 M124 A206 L209 V212 M216 L228 G229 L235 G236 A237	L120-W232 HydrophobicContact CD1-CH2 3.98Å; L120-W232 HydrophobicContact CD1-CZ3 3.95Å; L120-W232 HydrophobicContact CD2-CH2 4.17Å; L120-W232 HydrophobicContact CD2-CZ3 4.07Å; M124-W232 HydrophobicContact CE-CH2 3.63Å; M124-W232 HydrophobicContact CE-CZ2 3.81Å; A206-W232 WeakPolarHBondContact O-CZ2 3.19Å; A206-W232 PolarHBondContact O-NE1 3.19Å; L209-W232 HydrophobicContact CB-CH2 3.78Å; L209-W232 HydrophobicContact CB-CZ2 3.76Å; L209-W232 HydrophobicContact CD1-CD2 4.12Å; L209-W232 HydrophobicContact CD1-CH2 4.26Å; L209-W232 HydrophobicContact CD1-CZ2 3.76Å; L209-W232 HydrophobicContact CG-CH2 4.32Å; L209-W232 HydrophobicContact CG-CZ2 3.81Å; V212-W232 HydrophobicContact CB-CE3 4.45Å; V212-W232 HydrophobicContact CG1-CE3 4.38Å; V212-W232 HydrophobicContact CG2-CE3 4.22Å; V212-W232 HydrophobicContact CG2-CZ3 4.05Å; M216-W232 HydrophobicContact SD-CB 3.85Å; M216-W232 HydrophobicContact SD-CG 3.98Å; L228-W232 PolarHBondContact O-N 2.93Å; G229-W232 PolarHBondContact O-N 3.31Å; W232-L235 HydrophobicContact CE3-CD1 3.95Å; W232-L235 HydrophobicContact CZ3-CD1 3.94Å; W232-L235 PolarHBondContact O-N 3.47Å; W232-G236 PolarHBondContact O-N 3.42Å; W232-A237 HydrophobicContact CB-CB 4.17Å; W232-A237 WeakPolarHBondContact O-CB 3.24Å; W232-A237 PolarHBondContact O-N 2.82Å
233	Q	98.9	Very high	98.8	Very high	27 Å²	27	15.9 Å²	15.9	13%	0.126	10%	0.099	C	C	.	.	H	α-helix	trans	-62.7	-45.6	174.3	-168.3	-86.6	-48.4	0	0	111.9	G229 V231 L235 G236 V239 Q268	G229-Q233 WeakPolarHBondContact O-CB 3.47Å; G229-Q233 PolarHBondContact O-N 3.35Å; V231-Q233 PolarHBondContact O-N 3.21Å; Q233-L235 VanDerWaalsContact C-N 3.25Å; Q233-L235 PolarHBondContact O-N 3.02Å; Q233-G236 PolarHBondContact O-N 2.8Å; Q233-G236 VanDerWaalsContact O-N 3.09Å; Q233-V239 HydrophobicContact CB-CB 4.12Å; Q233-V239 HydrophobicContact CB-CG2 3.65Å; Q233-V239 HydrophobicContact CG-CB 4.4Å; Q233-V239 HydrophobicContact CG-CG2 4.3Å; Q233-Q268 PolarHBondContact NE2-O 2.91Å
234	R	98.9	Very high	98.8	Very high	14 Å²	14	18.8 Å²	18.8	5%	0.053	11%	0.108	C	C	.	.	H	α-helix	trans	-61.6	-32	175.4	-72.4	164	-168.7	-177.5	0.1	113.4	L92 H99 S230 V231 G236	L92-R234 PolarHBondContact O-NH1 2.96Å; L92-R234 VanDerWaalsContact O-NH1 3.13Å; H99-R234 HydrophobicContact CB-CB 4.2Å; H99-R234 HydrophobicContact CB-CG 4.17Å; S230-R234 WeakPolarHBondContact O-CB 3.32Å; S230-R234 VanDerWaalsContact O-CD 3.28Å; S230-R234 WeakPolarHBondContact O-CD 3.23Å; S230-R234 WeakPolarHBondContact O-CG 3.24Å; S230-R234 PolarHBondContact O-N 2.93Å; S230-R234 PolarHBondContact OG-NE 2.93Å; S230-R234 VanDerWaalsContact OG-NE 3.12Å; S230-R234 PolarHBondContact OG-NH2 3.27Å; V231-R234 PolarHBondContact O-N 3.38Å; R234-G236 VanDerWaalsContact C-N 3.32Å
235	L	98.9	Very high	98.7	Very high	10 Å²	10	19.6 Å²	19.6	5%	0.052	11%	0.112	C	C	.	.	H	α-helix	trans	-82.3	-7.8	177.9	-61.2	179.7	0	0	0	113.3	Y98 L118 L120 M123 V212 V231 W232 Q233	Y98-L235 HydrophobicContact CD1-CD2 3.76Å; Y98-L235 HydrophobicContact CE1-CD2 4.36Å; Y98-L235 HydrophobicContact CG-CD2 4.08Å; L118-L235 HydrophobicContact CD1-CD2 3.86Å; L118-L235 HydrophobicContact CD2-CB 4.07Å; L118-L235 HydrophobicContact CD2-CD1 4.48Å; L118-L235 HydrophobicContact CD2-CD2 4.03Å; L118-L235 HydrophobicContact CD2-CG 4.4Å; L120-L235 HydrophobicContact CD1-CD1 4.25Å; M123-L235 HydrophobicContact CE-CD2 3.9Å; M123-L235 HydrophobicContact SD-CD1 4.11Å; M123-L235 HydrophobicContact SD-CD2 4.05Å; V212-L235 HydrophobicContact CG1-CB 4.35Å; V212-L235 HydrophobicContact CG2-CB 3.81Å; V231-L235 HydrophobicContact CG1-CD1 4.21Å; V231-L235 WeakPolarHBondContact O-CG 3.42Å; V231-L235 PolarHBondContact O-N 2.98Å; W232-L235 HydrophobicContact CE3-CD1 3.95Å; W232-L235 HydrophobicContact CZ3-CD1 3.94Å; W232-L235 PolarHBondContact O-N 3.47Å; Q233-L235 VanDerWaalsContact C-N 3.25Å; Q233-L235 PolarHBondContact O-N 3.02Å
236	G	98.7	Very high	98.7	Very high	61 Å²	61	21.5 Å²	21.5	63%	0.629	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	124.6	0.5	169.7	0	0	0	0	0	116.7	W232 Q233 R234	W232-G236 PolarHBondContact O-N 3.42Å; Q233-G236 PolarHBondContact O-N 2.8Å; Q233-G236 VanDerWaalsContact O-N 3.09Å; R234-G236 VanDerWaalsContact C-N 3.32Å
237	A	98.9	Very high	98.7	Very high	6 Å²	6	23.4 Å²	23.4	5%	0.05	14%	0.141	C	C	.	.			trans	-75.9	143.7	-178.6	0	0	0	0	0	113.1	V212 P213 W232 V239	V212-A237 HydrophobicContact CG1-CB 4Å; P213-A237 HydrophobicContact CG-CB 3.98Å; P213-A237 WeakPolarHBondContact O-CA 3.36Å; P213-A237 WeakPolarHBondContact O-CB 3.44Å; W232-A237 HydrophobicContact CB-CB 4.17Å; W232-A237 WeakPolarHBondContact O-CB 3.24Å; W232-A237 PolarHBondContact O-N 2.82Å; A237-V239 HydrophobicContact CB-CG2 3.9Å; A237-V239 PolarHBondContact O-N 2.66Å
238	D	98.9	Very high	98.7	Very high	49 Å²	49	23.2 Å²	23.2	26%	0.262	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	100.3	163.7	-178.9	15.7	0	0	0	110.2	E214 K215 M216 K271	E214-D238 PolarHBondContact O-N 2.67Å; K215-D238 CarbonylContact C-O 3.49Å; K215-D238 WeakPolarHBondContact CA-O 3.4Å; K215-D238 HydrophobicContact CB-CB 4.27Å; K215-D238 HydrophobicContact CG-CB 4.07Å; K215-D238 WeakPolarHBondContact CG-O 3.44Å; M216-D238 PolarHBondContact N-O 3.37Å; D238-K271 WeakPolarHBondContact OD1-CD 3.38Å; D238-K271 WeakPolarHBondContact OD1-CE 3.27Å; D238-K271 IonicContact OD1-NZ 2.88Å; D238-K271 PolarHBondContact OD1-NZ 2.89Å; D238-K271 IonicContact OD2-NZ 3.19Å; D238-K271 PolarHBondContact OD2-NZ 3.35Å
239	V	98.9	Very high	98.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	125.7	-174.6	-174.5	0	0	0	0	112	M216 V218 Q233 A237 F270 K271	M216-V239 HydrophobicContact CB-CG2 4.27Å; M216-V239 WeakPolarHBondContact O-CA 3.5Å; V218-V239 HydrophobicContact CG2-CG1 3.94Å; Q233-V239 HydrophobicContact CB-CB 4.12Å; Q233-V239 HydrophobicContact CB-CG2 3.65Å; Q233-V239 HydrophobicContact CG-CB 4.4Å; Q233-V239 HydrophobicContact CG-CG2 4.3Å; A237-V239 HydrophobicContact CB-CG2 3.9Å; A237-V239 PolarHBondContact O-N 2.66Å; V239-F270 HydrophobicContact CG1-CD1 4.17Å; V239-F270 HydrophobicContact CG1-CE1 3.66Å; V239-F270 HydrophobicContact CG1-CE2 4.44Å; V239-F270 HydrophobicContact CG1-CZ 3.83Å; V239-K271 PolarHBondContact O-N 2.89Å
240	T	98.9	Very high	98.4	Very high	11 Å²	11	24.1 Å²	24.1	7%	0.067	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	116.8	171.2	-56.7	0	0	0	0	111.4	M216 V217 V218 K271 I304	M216-T240 PolarHBondContact O-N 3.02Å; V217-T240 WeakPolarHBondContact CA-O 3.42Å; V218-T240 PolarHBondContact N-O 3.32Å; T240-K271 CarbonylContact C-O 3.59Å; T240-K271 WeakPolarHBondContact CA-O 3.49Å; T240-K271 HydrophobicContact CG2-CB 4.12Å; T240-I304 HydrophobicContact CG2-CD1 4.49Å
241	A	98.9	Very high	98.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.2	168	0	0	0	0	0	111.4	V218 A221 F270 K271 F272 K273	V218-A241 HydrophobicContact CB-CB 4.27Å; V218-A241 CarbonylContact O-C 3.58Å; V218-A241 WeakPolarHBondContact O-CA 3.45Å; A221-A241 HydrophobicContact CB-CB 4.27Å; A241-F270 HydrophobicContact CB-CE1 3.67Å; A241-F270 HydrophobicContact CB-CZ 4.29Å; A241-K271 PolarHBondContact N-O 3.14Å; A241-F272 HydrophobicContact CB-CD1 3.87Å; A241-F272 HydrophobicContact CB-CE1 4Å; A241-F272 CarbonylContact O-C 3.51Å; A241-F272 WeakPolarHBondContact O-CA 3.31Å; A241-K273 PolarHBondContact O-N 2.9Å
242	V	98.8	Very high	98.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	123.3	173.2	-176.5	0	0	0	0	107.7	V217 V218 G220 K273 T276 V278 I293 I304	V217-V242 HydrophobicContact CG1-CG2 4.13Å; V218-V242 PolarHBondContact O-N 3.08Å; G220-V242 PolarHBondContact N-O 3.25Å; V242-K273 WeakPolarHBondContact CA-O 3.29Å; V242-T276 HydrophobicContact CG1-CG2 3.65Å; V242-V278 HydrophobicContact CB-CG2 4.31Å; V242-V278 HydrophobicContact CG1-CG2 3.86Å; V242-I293 HydrophobicContact CG1-CG2 4.05Å; V242-I293 HydrophobicContact CG2-CG2 4.43Å; V242-I304 HydrophobicContact CG2-CD1 4.11Å
243	E	98.5	Very high	98.2	Very high	30 Å²	30	32 Å²	32	14%	0.14	20%	0.203	C	C	.	.			trans	-133.8	134.9	-175.4	177	51.9	-102.4	0	0	110.1	G220 A221 L245 K273 L274 N275 T276	G220-E243 WeakPolarHBondContact CA-OE2 3.46Å; A221-E243 HydrophobicContact CB-CB 3.74Å; A221-E243 HydrophobicContact CB-CG 4Å; A221-E243 PolarHBondContact N-OE2 2.81Å; E243-L245 HydrophobicContact CG-CB 4.11Å; E243-L245 PolarHBondContact OE1-N 3.32Å; E243-K273 PolarHBondContact N-O 3.5Å; E243-L274 HydrophobicContact CB-CD2 3.77Å; E243-L274 HydrophobicContact CG-CD2 4.26Å; E243-L274 CarbonylContact O-C 3.54Å; E243-L274 WeakPolarHBondContact O-CA 3.33Å; E243-N275 PolarHBondContact O-N 3.33Å; E243-T276 CarbonylContact C-O 3.55Å; E243-T276 PolarHBondContact O-N 3.44Å; E243-T276 VanDerWaalsContact O-O 3.05Å
244	F	97.7	Very high	98.2	Very high	111 Å²	111	30.7 Å²	30.7	49%	0.487	20%	0.197	S	C	.	.	S	Bend	trans	-73.6	-34.6	179.3	-178.9	-95.7	0	0	0	111.6	N275 T276 K277 A296	F244-N275 WeakPolarHBondContact O-CA 3.47Å; F244-T276 WeakPolarHBondContact CA-O 3.45Å; F244-T276 PolarHBondContact N-O 2.5Å; F244-K277 HydrophobicContact CD2-CB 3.92Å; F244-K277 HydrophobicContact CD2-CG 4.1Å; F244-K277 HydrophobicContact CE2-CB 4.28Å; F244-K277 HydrophobicContact CE2-CD 4.27Å; F244-K277 HydrophobicContact CE2-CG 4.33Å; F244-A296 HydrophobicContact CD2-CB 3.81Å; F244-A296 HydrophobicContact CE2-CB 3.63Å; F244-A296 HydrophobicContact CG-CB 4.49Å; F244-A296 HydrophobicContact CZ-CB 4.18Å
245	L	97.3	Very high	98.2	Very high	78 Å²	78	33.2 Å²	33.2	41%	0.408	21%	0.21	S	C	.	.	S	Bend	trans	-76.4	169	176.2	-59.6	179.4	0	0	0	112.7	E243 N275	E243-L245 HydrophobicContact CG-CB 4.11Å; E243-L245 PolarHBondContact OE1-N 3.32Å; L245-N275 PolarHBondContact O-N 3.5Å
246	G	98	Very high	98.2	Very high	42 Å²	42	35.6 Å²	35.6	43%	0.433	22%	0.221	S	C	.	.	S	Bend	trans	-85.6	0.6	-176.8	0	0	0	0	0	115.9	L274 N275	G246-L274 WeakPolarHBondContact O-CD1 3.41Å; G246-N275 WeakPolarHBondContact CA-OD1 3.48Å
247	H	98.5	Very high	98.2	Very high	40 Å²	40	32.8 Å²	32.8	19%	0.185	19%	0.191	C	C	.	.	S	Bend	trans	-145.5	177	-170.6	71.4	-78.5	0	0	0	112.2	G250 M255	H247-G250 PolarHBondContact NE2-O 3.03Å; H247-M255 HydrophobicContact CB-CE 4.48Å; H247-M255 HydrophobicContact CB-SD 3.96Å
248	V	98.4	Very high	98.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.189	C	C	.	.	S	Bend	trans	-118.7	162.6	-179.5	-56.4	0	0	0	0	112.3	A221 S258 F261 Q262 F272 L274	A221-V248 HydrophobicContact CB-CB 4.34Å; A221-V248 HydrophobicContact CB-CG1 3.99Å; V248-S258 WeakPolarHBondContact CG2-O 3.35Å; V248-S258 PolarHBondContact N-OG 2.92Å; V248-S258 VanDerWaalsContact N-OG 3.09Å; V248-S258 PolarHBondContact O-OG 3.47Å; V248-F261 HydrophobicContact CG2-CD1 3.85Å; V248-F261 HydrophobicContact CG2-CE1 4.39Å; V248-Q262 HydrophobicContact CG1-CB 4.31Å; V248-Q262 HydrophobicContact CG1-CG 4.11Å; V248-Q262 HydrophobicContact CG2-CB 3.79Å; V248-Q262 HydrophobicContact CG2-CG 4.49Å; V248-F272 HydrophobicContact CG1-CD1 3.75Å; V248-F272 HydrophobicContact CG1-CE1 3.68Å; V248-F272 HydrophobicContact CG1-CZ 4.43Å; V248-L274 HydrophobicContact CG1-CD1 4.25Å; V248-L274 HydrophobicContact CG1-CD2 3.86Å
249	G	96.7	Very high	98.2	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.01	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	96.8	-27.4	175.8	0	0	0	0	0	114.5	A221 V223	A221-G249 PolarHBondContact O-N 3.43Å; V223-G249 VanDerWaalsContact CG2-O 3.23Å; V223-G249 WeakPolarHBondContact CG2-O 3.47Å; V223-G249 PolarHBondContact N-O 3.48Å
250	G	96.6	Very high	98.2	Very high	21 Å²	21	39.7 Å²	39.7	22%	0.216	22%	0.221	C	C	.	.			trans	112.7	-150.1	174.3	0	0	0	0	0	113.6	H247 I253	H247-G250 PolarHBondContact NE2-O 3.03Å; G250-I253 WeakPolarHBondContact O-CG2 3.15Å
251	V	95.9	Very high	98.2	Very high	138 Å²	138	39.1 Å²	39.1	84%	0.836	22%	0.217	S	C	*	.	S	Bend	trans	-88.1	141.1	-178.4	-179.8	0	0	0	0	110.3	I253	V251-I253 VanDerWaalsContact C-N 3.34Å; V251-I253 PolarHBondContact O-N 2.71Å
252	G	96.7	Very high	98.2	Very high	26 Å²	26	40.8 Å²	40.8	27%	0.268	23%	0.225	S	C	.	.	S	Bend	trans	87	-12.7	173.8	0	0	0	0	0	115.9	W401	G252-W401 PolarHBondContact O-NE1 2.98Å
253	I	98.7	Very high	98.2	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	26%	0.255	C	S	.	.			trans	-65.4	141.3	169.8	-168.5	171.7	0	0	0	110.6	G250 V251 M255 I257 I393 V399 W401	G250-I253 WeakPolarHBondContact O-CG2 3.15Å; V251-I253 VanDerWaalsContact C-N 3.34Å; V251-I253 PolarHBondContact O-N 2.71Å; I253-M255 HydrophobicContact CG2-CE 4.05Å; I253-M255 WeakPolarHBondContact O-CE 3.35Å; I253-I257 HydrophobicContact CD1-CG2 4.39Å; I253-I257 HydrophobicContact CG1-CG2 4.3Å; I253-I393 HydrophobicContact CD1-CD1 4.39Å; I253-V399 HydrophobicContact CD1-CG1 4.16Å; I253-W401 HydrophobicContact CB-CH2 3.92Å; I253-W401 HydrophobicContact CB-CZ2 3.97Å; I253-W401 HydrophobicContact CB-CZ3 4.22Å; I253-W401 HydrophobicContact CD1-CZ3 4.18Å; I253-W401 HydrophobicContact CG1-CE3 4.29Å; I253-W401 HydrophobicContact CG1-CH2 4.32Å; I253-W401 HydrophobicContact CG1-CZ3 4.11Å
254	D	98.9	Very high	98.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	S	.	.			trans	-66.5	137.2	172.2	173.8	-79.5	0	0	0	112.1	E256 I257 S258 E406 K440 H454	D254-E256 PolarHBondContact O-N 3.44Å; D254-E256 WeakPolarHBondContact OD1-CB 3.49Å; D254-E256 PolarHBondContact OD1-N 2.91Å; D254-I257 HydrophobicContact CB-CB 4.13Å; D254-I257 HydrophobicContact CB-CG1 4.14Å; D254-I257 PolarHBondContact O-N 2.83Å; D254-I257 PolarHBondContact OD1-N 3.31Å; D254-I257 VanDerWaalsContact OD1-N 3.1Å; D254-S258 WeakPolarHBondContact O-CB 3.42Å; D254-S258 PolarHBondContact O-N 3.38Å; D254-E406 PolarHBondContact OD2-N 2.88Å; D254-K440 IonicContact OD1-NZ 2.67Å; D254-K440 PolarHBondContact OD1-NZ 2.98Å; D254-K440 WeakPolarHBondContact OD2-CE 3.24Å; D254-K440 IonicContact OD2-NZ 2.79Å; D254-K440 PolarHBondContact OD2-NZ 2.89Å; D254-H454 WeakPolarHBondContact CB-ND1 3.4Å
255	M	98.8	Very high	98.2	Very high	68 Å²	68	42.5 Å²	42.5	34%	0.335	23%	0.227	S	C	.	.	H	α-helix	trans	-69.6	-28.3	-171.8	-69.2	-60.9	101.4	0	0	114.3	H247 I253 K259 E407	H247-M255 HydrophobicContact CB-CE 4.48Å; H247-M255 HydrophobicContact CB-SD 3.96Å; I253-M255 HydrophobicContact CG2-CE 4.05Å; I253-M255 WeakPolarHBondContact O-CE 3.35Å; M255-K259 VanDerWaalsContact O-CB 3.24Å; M255-K259 WeakPolarHBondContact O-CB 3.32Å; M255-K259 PolarHBondContact O-N 2.9Å; M255-E407 HydrophobicContact CB-CG 4.47Å; M255-E407 WeakPolarHBondContact CB-OE2 3.18Å; M255-E407 HydrophobicContact CG-CG 3.73Å; M255-E407 WeakPolarHBondContact CG-OE2 3.47Å; M255-E407 PolarHBondContact N-OE2 3.03Å
256	E	98.8	Very high	98.3	Very high	60 Å²	60	42.9 Å²	42.9	28%	0.28	23%	0.227	S	C	.	.	H	α-helix	trans	-74	-42.2	175.6	-176	-175.1	-156.4	0	0	110.7	D254 K259 N260 K420 M438 K440	D254-E256 PolarHBondContact O-N 3.44Å; D254-E256 WeakPolarHBondContact OD1-CB 3.49Å; D254-E256 PolarHBondContact OD1-N 2.91Å; E256-K259 PolarHBondContact O-N 2.87Å; E256-N260 WeakPolarHBondContact O-CB 3.47Å; E256-N260 PolarHBondContact O-N 3.24Å; E256-N260 PolarHBondContact O-ND2 2.93Å; E256-K420 IonicContact OE1-NZ 3.28Å; E256-K420 PolarHBondContact OE1-NZ 3.29Å; E256-K420 WeakPolarHBondContact OE2-CE 3.45Å; E256-K420 IonicContact OE2-NZ 2.72Å; E256-K420 PolarHBondContact OE2-NZ 3.44Å; E256-M438 HydrophobicContact CG-CE 4.01Å; E256-K440 WeakPolarHBondContact OE2-CE 3.38Å; E256-K440 IonicContact OE2-NZ 3.14Å; E256-K440 PolarHBondContact OE2-NZ 2.88Å
257	I	98.9	Very high	98.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-47.9	174.2	-68.7	-76.6	0	0	0	110.3	I253 D254 K259 N260 F261 V399 M438 K440 H454 L456	I253-I257 HydrophobicContact CD1-CG2 4.39Å; I253-I257 HydrophobicContact CG1-CG2 4.3Å; D254-I257 HydrophobicContact CB-CB 4.13Å; D254-I257 HydrophobicContact CB-CG1 4.14Å; D254-I257 PolarHBondContact O-N 2.83Å; D254-I257 PolarHBondContact OD1-N 3.31Å; D254-I257 VanDerWaalsContact OD1-N 3.1Å; I257-K259 PolarHBondContact O-N 2.98Å; I257-N260 PolarHBondContact O-N 3.17Å; I257-F261 WeakPolarHBondContact O-CB 3.23Å; I257-F261 PolarHBondContact O-N 3.5Å; I257-V399 HydrophobicContact CG2-CG1 3.58Å; I257-M438 HydrophobicContact CD1-CE 3.66Å; I257-M438 HydrophobicContact CD1-CG 4.3Å; I257-M438 HydrophobicContact CG1-CE 4.28Å; I257-K440 HydrophobicContact CD1-CB 4.35Å; I257-K440 HydrophobicContact CG1-CD 4.23Å; I257-H454 HydrophobicContact CD1-CB 4.23Å; I257-H454 HydrophobicContact CG1-CB 3.86Å; I257-L456 HydrophobicContact CD1-CB 3.96Å; I257-L456 HydrophobicContact CG2-CB 4.26Å
258	S	98.9	Very high	98.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.007	24%	0.235	C	C	.	.	H	α-helix	trans	-56.2	-46.8	175.2	-178.9	0	0	0	0	112.5	V248 D254 F261 Q262	V248-S258 WeakPolarHBondContact CG2-O 3.35Å; V248-S258 PolarHBondContact N-OG 2.92Å; V248-S258 VanDerWaalsContact N-OG 3.09Å; V248-S258 PolarHBondContact O-OG 3.47Å; D254-S258 WeakPolarHBondContact O-CB 3.42Å; D254-S258 PolarHBondContact O-N 3.38Å; S258-F261 PolarHBondContact O-N 2.83Å; S258-Q262 WeakPolarHBondContact O-CB 3.47Å; S258-Q262 PolarHBondContact O-N 2.73Å
259	K	98.8	Very high	98.4	Very high	145 Å²	145	49.1 Å²	49.1	63%	0.63	25%	0.252	S	S	*	.	H	α-helix	trans	-63.7	-42.8	178.2	178.5	-179.4	177.6	-178.2	0	112.8	M255 E256 I257 R263	M255-K259 VanDerWaalsContact O-CB 3.24Å; M255-K259 WeakPolarHBondContact O-CB 3.32Å; M255-K259 PolarHBondContact O-N 2.9Å; E256-K259 PolarHBondContact O-N 2.87Å; I257-K259 PolarHBondContact O-N 2.98Å; K259-R263 PolarHBondContact O-N 2.88Å; K259-R263 VanDerWaalsContact O-N 3.15Å
260	N	98.9	Very high	98.5	Very high	55 Å²	55	49.1 Å²	49.1	29%	0.294	25%	0.252	S	S	.	.	H	α-helix	trans	-70	-39.7	178	-72.8	-21.7	0	0	0	111.3	E256 I257 R263 I264 L456	E256-N260 WeakPolarHBondContact O-CB 3.47Å; E256-N260 PolarHBondContact O-N 3.24Å; E256-N260 PolarHBondContact O-ND2 2.93Å; I257-N260 PolarHBondContact O-N 3.17Å; N260-R263 PolarHBondContact O-N 3.02Å; N260-I264 WeakPolarHBondContact O-CG1 3.5Å; N260-I264 PolarHBondContact O-N 3Å; N260-I264 VanDerWaalsContact O-N 3.09Å; N260-L456 HydrophobicContact CB-CD2 3.59Å
261	F	98.9	Very high	98.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-50	174	174.8	-136.9	0	0	0	112.1	V226 V248 I257 S258 R263 I264 L265 I393 T395 V399 L456	V226-F261 HydrophobicContact CG2-CE1 4.16Å; V226-F261 HydrophobicContact CG2-CZ 4.15Å; V248-F261 HydrophobicContact CG2-CD1 3.85Å; V248-F261 HydrophobicContact CG2-CE1 4.39Å; I257-F261 WeakPolarHBondContact O-CB 3.23Å; I257-F261 PolarHBondContact O-N 3.5Å; S258-F261 PolarHBondContact O-N 2.83Å; F261-R263 VanDerWaalsContact C-N 3.29Å; F261-R263 PolarHBondContact O-N 3.08Å; F261-I264 PolarHBondContact O-N 2.9Å; F261-I264 VanDerWaalsContact O-N 3.09Å; F261-L265 HydrophobicContact CD2-CD1 4.25Å; F261-L265 HydrophobicContact CD2-CG 4.1Å; F261-L265 HydrophobicContact CE1-CD1 4.15Å; F261-L265 HydrophobicContact CE2-CD1 3.63Å; F261-L265 HydrophobicContact CE2-CD2 3.99Å; F261-L265 HydrophobicContact CE2-CG 3.73Å; F261-L265 HydrophobicContact CZ-CD1 3.59Å; F261-L265 HydrophobicContact CZ-CG 4.24Å; F261-L265 PolarHBondContact O-N 3.33Å; F261-I393 HydrophobicContact CE1-CD1 3.97Å; F261-I393 HydrophobicContact CE1-CG2 4.43Å; F261-I393 HydrophobicContact CZ-CG2 4.05Å; F261-T395 HydrophobicContact CE2-CG2 4.22Å; F261-T395 WeakPolarHBondContact CE2-OG1 3.48Å; F261-T395 HydrophobicContact CZ-CG2 3.94Å; F261-T395 VanDerWaalsContact CZ-OG1 3.3Å; F261-T395 WeakPolarHBondContact CZ-OG1 3.26Å; F261-V399 HydrophobicContact CB-CG2 4.24Å; F261-V399 HydrophobicContact CD1-CG2 3.77Å; F261-V399 HydrophobicContact CD2-CG2 3.5Å; F261-V399 HydrophobicContact CE1-CG2 3.88Å; F261-V399 HydrophobicContact CE2-CG2 3.63Å; F261-V399 HydrophobicContact CG-CG2 3.58Å; F261-V399 HydrophobicContact CZ-CG2 3.8Å; F261-L456 HydrophobicContact CB-CD1 3.95Å; F261-L456 HydrophobicContact CB-CD2 4.24Å; F261-L456 HydrophobicContact CD2-CD1 4.01Å; F261-L456 HydrophobicContact CG-CD1 4.34Å
262	Q	98.9	Very high	98.7	Very high	34 Å²	34	47.6 Å²	47.6	16%	0.159	23%	0.228	C	C	.	.	H	α-helix	trans	-53.2	-47.2	173.9	-173.9	-169.5	-1.5	0	0	111.3	V248 S258 I264 L265 Q266 F272	V248-Q262 HydrophobicContact CG1-CB 4.31Å; V248-Q262 HydrophobicContact CG1-CG 4.11Å; V248-Q262 HydrophobicContact CG2-CB 3.79Å; V248-Q262 HydrophobicContact CG2-CG 4.49Å; S258-Q262 WeakPolarHBondContact O-CB 3.47Å; S258-Q262 PolarHBondContact O-N 2.73Å; Q262-I264 VanDerWaalsContact C-N 3.28Å; Q262-I264 PolarHBondContact O-N 3.24Å; Q262-L265 PolarHBondContact O-N 2.86Å; Q262-Q266 HydrophobicContact CG-CG 4.47Å; Q262-Q266 WeakPolarHBondContact O-CB 3.36Å; Q262-Q266 VanDerWaalsContact O-CG 3.3Å; Q262-Q266 WeakPolarHBondContact O-CG 3.43Å; Q262-Q266 PolarHBondContact O-N 3.46Å; Q262-F272 HydrophobicContact CG-CD2 4.08Å; Q262-F272 HydrophobicContact CG-CE2 4.32Å; Q262-F272 HydrophobicContact CG-CG 4.34Å
263	R	98.9	Very high	98.8	Very high	171 Å²	171	49 Å²	49	65%	0.645	23%	0.227	S	C	*	.	H	α-helix	trans	-61	-36.2	-179.7	-175.1	175.4	-177.5	149.4	3	112.2	K259 N260 F261 K267	K259-R263 PolarHBondContact O-N 2.88Å; K259-R263 VanDerWaalsContact O-N 3.15Å; N260-R263 PolarHBondContact O-N 3.02Å; F261-R263 VanDerWaalsContact C-N 3.29Å; F261-R263 PolarHBondContact O-N 3.08Å; R263-K267 WeakPolarHBondContact O-CG 3.46Å; R263-K267 PolarHBondContact O-N 3.42Å; R263-K267 VanDerWaalsContact O-N 3.15Å
264	I	98.8	Very high	98.8	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.041	23%	0.233	C	C	.	.	H	α-helix	trans	-72.8	-45.6	178.4	-64.5	161.1	0	0	0	110.8	N260 F261 Q262 Q266 K267 Q268 P397 D436 L456	N260-I264 WeakPolarHBondContact O-CG1 3.5Å; N260-I264 PolarHBondContact O-N 3Å; N260-I264 VanDerWaalsContact O-N 3.09Å; F261-I264 PolarHBondContact O-N 2.9Å; F261-I264 VanDerWaalsContact O-N 3.09Å; Q262-I264 VanDerWaalsContact C-N 3.28Å; Q262-I264 PolarHBondContact O-N 3.24Å; I264-Q266 PolarHBondContact O-N 3.33Å; I264-K267 WeakPolarHBondContact O-CB 3.46Å; I264-K267 PolarHBondContact O-N 3Å; I264-Q268 PolarHBondContact O-N 3.4Å; I264-P397 HydrophobicContact CD1-CG 4.12Å; I264-P397 HydrophobicContact CG2-CG 3.82Å; I264-D436 HydrophobicContact CD1-CB 4.05Å; I264-D436 HydrophobicContact CG2-CB 4.46Å; I264-D436 WeakPolarHBondContact CG2-OD2 3.11Å; I264-L456 HydrophobicContact CD1-CD1 4.37Å; I264-L456 HydrophobicContact CD1-CD2 4.12Å; I264-L456 HydrophobicContact CD1-CG 4.39Å
265	L	98.9	Very high	98.8	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.8	-35.7	173.6	-66	-175.1	0	0	0	112.1	V226 F261 Q262 Q268 G269 F270 F272 T395	V226-L265 HydrophobicContact CB-CD1 4.23Å; V226-L265 HydrophobicContact CG1-CD1 4.3Å; F261-L265 HydrophobicContact CD2-CD1 4.25Å; F261-L265 HydrophobicContact CD2-CG 4.1Å; F261-L265 HydrophobicContact CE1-CD1 4.15Å; F261-L265 HydrophobicContact CE2-CD1 3.63Å; F261-L265 HydrophobicContact CE2-CD2 3.99Å; F261-L265 HydrophobicContact CE2-CG 3.73Å; F261-L265 HydrophobicContact CZ-CD1 3.59Å; F261-L265 HydrophobicContact CZ-CG 4.24Å; F261-L265 PolarHBondContact O-N 3.33Å; Q262-L265 PolarHBondContact O-N 2.86Å; L265-Q268 WeakPolarHBondContact O-CB 3.22Å; L265-Q268 PolarHBondContact O-N 2.88Å; L265-G269 PolarHBondContact O-N 2.99Å; L265-F270 HydrophobicContact CB-CB 4.07Å; L265-F270 HydrophobicContact CD1-CD2 4.39Å; L265-F270 VanDerWaalsContact O-CB 3.29Å; L265-F270 WeakPolarHBondContact O-CB 3.44Å; L265-F270 PolarHBondContact O-N 2.88Å; L265-F272 HydrophobicContact CB-CE2 3.93Å; L265-F272 HydrophobicContact CB-CZ 4.16Å; L265-F272 HydrophobicContact CD1-CE2 4.49Å; L265-F272 HydrophobicContact CD1-CZ 3.88Å; L265-T395 HydrophobicContact CD2-CG2 4.46Å
266	Q	98.9	Very high	98.7	Very high	87 Å²	87	52.4 Å²	52.4	41%	0.407	25%	0.247	S	C	.	.	H	α-helix	trans	-64.7	-37.7	173.3	-76.2	174.2	-26.7	0	0	113.1	Q262 I264 Q268 G269 F270 F272	Q262-Q266 HydrophobicContact CG-CG 4.47Å; Q262-Q266 WeakPolarHBondContact O-CB 3.36Å; Q262-Q266 VanDerWaalsContact O-CG 3.3Å; Q262-Q266 WeakPolarHBondContact O-CG 3.43Å; Q262-Q266 PolarHBondContact O-N 3.46Å; I264-Q266 PolarHBondContact O-N 3.33Å; Q266-Q268 PolarHBondContact O-N 3.3Å; Q266-G269 PolarHBondContact O-N 3.4Å; Q266-F270 WeakPolarHBondContact CA-O 3.45Å; Q266-F272 HydrophobicContact CG-CD2 3.76Å; Q266-F272 HydrophobicContact CG-CE2 4.17Å
267	K	98.6	Very high	98.7	Very high	131 Å²	131	53.1 Å²	53.1	57%	0.57	25%	0.249	S	C	*	.	H	α-helix	trans	-61	-34.9	171.6	-63.6	173.8	-165.9	168.8	0	111.9	R263 I264 G269 D436	R263-K267 WeakPolarHBondContact O-CG 3.46Å; R263-K267 PolarHBondContact O-N 3.42Å; R263-K267 VanDerWaalsContact O-N 3.15Å; I264-K267 WeakPolarHBondContact O-CB 3.46Å; I264-K267 PolarHBondContact O-N 3Å; K267-G269 VanDerWaalsContact C-N 3.25Å; K267-G269 PolarHBondContact O-N 3.29Å; K267-D436 VanDerWaalsContact NZ-CG 3.32Å; K267-D436 IonicContact NZ-OD1 2.67Å; K267-D436 PolarHBondContact NZ-OD1 3.05Å; K267-D436 IonicContact NZ-OD2 2.8Å; K267-D436 PolarHBondContact NZ-OD2 3.09Å
268	Q	98.5	Very high	98.6	Very high	48 Å²	48	53.6 Å²	53.6	22%	0.224	25%	0.252	C	S	.	.	H	α-helix	trans	-73.3	-18.4	-179.7	-64.7	173.7	7.1	0	0	112.7	Q233 I264 L265 Q266 H396	Q233-Q268 PolarHBondContact NE2-O 2.91Å; I264-Q268 PolarHBondContact O-N 3.4Å; L265-Q268 WeakPolarHBondContact O-CB 3.22Å; L265-Q268 PolarHBondContact O-N 2.88Å; Q266-Q268 PolarHBondContact O-N 3.3Å; Q268-H396 PolarHBondContact NE2-O 2.86Å
269	G	98.6	Very high	98.6	Very high	34 Å²	34	57.4 Å²	57.4	35%	0.351	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	116.6	-2.5	179.3	0	0	0	0	0	114.7	L265 Q266 K267 K271	L265-G269 PolarHBondContact O-N 2.99Å; Q266-G269 PolarHBondContact O-N 3.4Å; K267-G269 VanDerWaalsContact C-N 3.25Å; K267-G269 PolarHBondContact O-N 3.29Å; G269-K271 PolarHBondContact O-N 3.4Å
270	F	98.8	Very high	98.5	Very high	1 Å²	1	51.3 Å²	51.3	0%	0.004	25%	0.254	C	S	.	.			trans	-72.8	117.2	-180	-156.6	-38.9	0	0	0	110.3	V239 A241 L265 Q266 F272	V239-F270 HydrophobicContact CG1-CD1 4.17Å; V239-F270 HydrophobicContact CG1-CE1 3.66Å; V239-F270 HydrophobicContact CG1-CE2 4.44Å; V239-F270 HydrophobicContact CG1-CZ 3.83Å; A241-F270 HydrophobicContact CB-CE1 3.67Å; A241-F270 HydrophobicContact CB-CZ 4.29Å; L265-F270 HydrophobicContact CB-CB 4.07Å; L265-F270 HydrophobicContact CD1-CD2 4.39Å; L265-F270 VanDerWaalsContact O-CB 3.29Å; L265-F270 WeakPolarHBondContact O-CB 3.44Å; L265-F270 PolarHBondContact O-N 2.88Å; Q266-F270 WeakPolarHBondContact CA-O 3.45Å; F270-F272 HydrophobicContact CB-CE2 3.98Å; F270-F272 HydrophobicContact CB-CZ 4.43Å; F270-F272 HydrophobicContact CD1-CD2 4.32Å; F270-F272 HydrophobicContact CD1-CE1 4.19Å; F270-F272 AromaticContact CD1-CE2 3.73Å; F270-F272 HydrophobicContact CD1-CE2 3.73Å; F270-F272 AromaticContact CD1-CZ 3.65Å; F270-F272 HydrophobicContact CD1-CZ 3.65Å; F270-F272 HydrophobicContact CD2-CZ 4.34Å; F270-F272 HydrophobicContact CE1-CE1 4.07Å; F270-F272 HydrophobicContact CE1-CE2 4.43Å; F270-F272 AromaticContact CE1-CZ 3.92Å; F270-F272 HydrophobicContact CE1-CZ 3.92Å; F270-F272 AromaticContact CG-CE2 3.91Å; F270-F272 HydrophobicContact CG-CE2 3.91Å; F270-F272 AromaticContact CG-CZ 3.9Å; F270-F272 HydrophobicContact CG-CZ 3.9Å; F270-F272 HydrophobicContact CZ-CZ 4.36Å; F270-F272 WeakPolarHBondContact O-CD2 3.4Å; F270-F272 WeakPolarHBondContact O-CE2 3.47Å
271	K	98.9	Very high	98.5	Very high	101 Å²	101	49.5 Å²	49.5	44%	0.439	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	144.5	179.9	-63.8	162.3	-174.3	171.5	0	111.2	D238 V239 T240 A241 G269	D238-K271 WeakPolarHBondContact OD1-CD 3.38Å; D238-K271 WeakPolarHBondContact OD1-CE 3.27Å; D238-K271 IonicContact OD1-NZ 2.88Å; D238-K271 PolarHBondContact OD1-NZ 2.89Å; D238-K271 IonicContact OD2-NZ 3.19Å; D238-K271 PolarHBondContact OD2-NZ 3.35Å; V239-K271 PolarHBondContact O-N 2.89Å; T240-K271 CarbonylContact C-O 3.59Å; T240-K271 WeakPolarHBondContact CA-O 3.49Å; T240-K271 HydrophobicContact CG2-CB 4.12Å; A241-K271 PolarHBondContact N-O 3.14Å; G269-K271 PolarHBondContact O-N 3.4Å
272	F	98.9	Very high	98.5	Very high	26 Å²	26	53.9 Å²	53.9	11%	0.114	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.9	178.9	-67.2	-90.5	0	0	0	111.4	A221 V226 A241 V248 Q262 L265 Q266 F270 L274	A221-F272 HydrophobicContact CB-CD1 4.32Å; A221-F272 HydrophobicContact CB-CE1 4.23Å; V226-F272 HydrophobicContact CG1-CE1 4.12Å; V226-F272 HydrophobicContact CG1-CZ 4.37Å; A241-F272 HydrophobicContact CB-CD1 3.87Å; A241-F272 HydrophobicContact CB-CE1 4Å; A241-F272 CarbonylContact O-C 3.51Å; A241-F272 WeakPolarHBondContact O-CA 3.31Å; V248-F272 HydrophobicContact CG1-CD1 3.75Å; V248-F272 HydrophobicContact CG1-CE1 3.68Å; V248-F272 HydrophobicContact CG1-CZ 4.43Å; Q262-F272 HydrophobicContact CG-CD2 4.08Å; Q262-F272 HydrophobicContact CG-CE2 4.32Å; Q262-F272 HydrophobicContact CG-CG 4.34Å; L265-F272 HydrophobicContact CB-CE2 3.93Å; L265-F272 HydrophobicContact CB-CZ 4.16Å; L265-F272 HydrophobicContact CD1-CE2 4.49Å; L265-F272 HydrophobicContact CD1-CZ 3.88Å; Q266-F272 HydrophobicContact CG-CD2 3.76Å; Q266-F272 HydrophobicContact CG-CE2 4.17Å; F270-F272 HydrophobicContact CB-CE2 3.98Å; F270-F272 HydrophobicContact CB-CZ 4.43Å; F270-F272 HydrophobicContact CD1-CD2 4.32Å; F270-F272 HydrophobicContact CD1-CE1 4.19Å; F270-F272 AromaticContact CD1-CE2 3.73Å; F270-F272 HydrophobicContact CD1-CE2 3.73Å; F270-F272 AromaticContact CD1-CZ 3.65Å; F270-F272 HydrophobicContact CD1-CZ 3.65Å; F270-F272 HydrophobicContact CD2-CZ 4.34Å; F270-F272 HydrophobicContact CE1-CE1 4.07Å; F270-F272 HydrophobicContact CE1-CE2 4.43Å; F270-F272 AromaticContact CE1-CZ 3.92Å; F270-F272 HydrophobicContact CE1-CZ 3.92Å; F270-F272 AromaticContact CG-CE2 3.91Å; F270-F272 HydrophobicContact CG-CE2 3.91Å; F270-F272 AromaticContact CG-CZ 3.9Å; F270-F272 HydrophobicContact CG-CZ 3.9Å; F270-F272 HydrophobicContact CZ-CZ 4.36Å; F270-F272 WeakPolarHBondContact O-CD2 3.4Å; F270-F272 WeakPolarHBondContact O-CE2 3.47Å; F272-L274 HydrophobicContact CB-CD2 4.15Å; F272-L274 HydrophobicContact CB-CG 4.34Å; F272-L274 HydrophobicContact CD1-CD2 4.15Å
273	K	98.6	Very high	98.4	Very high	56 Å²	56	56.5 Å²	56.5	24%	0.243	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	91.4	162.4	-69.1	-177.8	-174.6	-87.4	0	108	A241 V242 E243 T276 I293 E302 I304	A241-K273 PolarHBondContact O-N 2.9Å; V242-K273 WeakPolarHBondContact CA-O 3.29Å; E243-K273 PolarHBondContact N-O 3.5Å; K273-T276 HydrophobicContact CB-CG2 4.15Å; K273-T276 WeakPolarHBondContact O-CB 3.28Å; K273-I293 HydrophobicContact CD-CD1 3.44Å; K273-I293 VanDerWaalsContact CD-CD1 3.44Å; K273-E302 WeakPolarHBondContact CE-OE1 3.46Å; K273-E302 IonicContact NZ-OE1 3.59Å; K273-E302 PolarHBondContact NZ-OE1 2.74Å; K273-E302 IonicContact NZ-OE2 2.75Å; K273-E302 PolarHBondContact NZ-OE2 2.68Å; K273-I304 HydrophobicContact CD-CD1 3.88Å
274	L	98.6	Very high	98.3	Very high	28 Å²	28	51.5 Å²	51.5	15%	0.147	27%	0.267	C	S	.	.			trans	-83.1	166.5	174.1	-50.7	-172.1	0	0	0	110.1	E243 G246 V248 F272 T276	E243-L274 HydrophobicContact CB-CD2 3.77Å; E243-L274 HydrophobicContact CG-CD2 4.26Å; E243-L274 CarbonylContact O-C 3.54Å; E243-L274 WeakPolarHBondContact O-CA 3.33Å; G246-L274 WeakPolarHBondContact O-CD1 3.41Å; V248-L274 HydrophobicContact CG1-CD1 4.25Å; V248-L274 HydrophobicContact CG1-CD2 3.86Å; F272-L274 HydrophobicContact CB-CD2 4.15Å; F272-L274 HydrophobicContact CB-CG 4.34Å; F272-L274 HydrophobicContact CD1-CD2 4.15Å; L274-T276 PolarHBondContact O-N 2.9Å; L274-T276 PolarHBondContact O-OG1 3.38Å
275	N	98.3	Very high	98.1	Very high	94 Å²	94	57.8 Å²	57.8	50%	0.503	31%	0.311	S	S	.	.	S	Bend	trans	49.5	37.8	-173.3	-54.1	-76.8	0	0	0	112.3	E243 F244 L245 G246 A296	E243-N275 PolarHBondContact O-N 3.33Å; F244-N275 WeakPolarHBondContact O-CA 3.47Å; L245-N275 PolarHBondContact O-N 3.5Å; G246-N275 WeakPolarHBondContact CA-OD1 3.48Å; N275-A296 WeakPolarHBondContact O-CB 3.28Å; N275-A296 PolarHBondContact O-N 2.96Å
276	T	98.5	Very high	97.8	Very high	19 Å²	19	62.5 Å²	62.5	12%	0.117	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.4	-170.7	-58.5	0	0	0	0	110.1	V242 E243 F244 K273 L274 I293 E294	V242-T276 HydrophobicContact CG1-CG2 3.65Å; E243-T276 CarbonylContact C-O 3.55Å; E243-T276 PolarHBondContact O-N 3.44Å; E243-T276 VanDerWaalsContact O-O 3.05Å; F244-T276 WeakPolarHBondContact CA-O 3.45Å; F244-T276 PolarHBondContact N-O 2.5Å; K273-T276 HydrophobicContact CB-CG2 4.15Å; K273-T276 WeakPolarHBondContact O-CB 3.28Å; L274-T276 PolarHBondContact O-N 2.9Å; L274-T276 PolarHBondContact O-OG1 3.38Å; T276-I293 HydrophobicContact CG2-CB 3.92Å; T276-I293 HydrophobicContact CG2-CD1 3.83Å; T276-I293 HydrophobicContact CG2-CG1 4.46Å; T276-I293 HydrophobicContact CG2-CG2 4.36Å; T276-E294 CarbonylContact C-O 3.52Å; T276-E294 WeakPolarHBondContact CA-O 3.36Å; T276-E294 WeakPolarHBondContact CG2-O 3.43Å
277	K	97.3	Very high	97.6	Very high	75 Å²	75	60.6 Å²	60.6	33%	0.326	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	130.4	-177.2	-173.4	-178.1	67.9	-169.2	0	109.9	F244 I293 E294	F244-K277 HydrophobicContact CD2-CB 3.92Å; F244-K277 HydrophobicContact CD2-CG 4.1Å; F244-K277 HydrophobicContact CE2-CB 4.28Å; F244-K277 HydrophobicContact CE2-CD 4.27Å; F244-K277 HydrophobicContact CE2-CG 4.33Å; K277-I293 CarbonylContact O-C 3.57Å; K277-I293 VanDerWaalsContact O-CA 3.28Å; K277-I293 WeakPolarHBondContact O-CA 3.41Å; K277-E294 HydrophobicContact CB-CG 4.5Å; K277-E294 WeakPolarHBondContact CE-OE1 3.36Å; K277-E294 PolarHBondContact N-O 2.82Å; K277-E294 IonicContact NZ-OE1 2.76Å; K277-E294 PolarHBondContact NZ-OE1 2.86Å; K277-E294 PolarHBondContact O-N 3.37Å
278	V	98.3	Very high	97.5	Very high	11 Å²	11	57.1 Å²	57.1	7%	0.067	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	132.1	165.4	177.8	0	0	0	0	108.8	F190 I193 I219 V242 V291 S292 I293	F190-V278 HydrophobicContact CE1-CG1 4.48Å; F190-V278 HydrophobicContact CE2-CB 4.17Å; F190-V278 HydrophobicContact CZ-CB 3.91Å; F190-V278 HydrophobicContact CZ-CG1 4.05Å; I193-V278 HydrophobicContact CD1-CG1 3.88Å; I219-V278 HydrophobicContact CD1-CB 4.46Å; I219-V278 HydrophobicContact CD1-CG1 4.14Å; I219-V278 HydrophobicContact CD1-CG2 4.08Å; I219-V278 HydrophobicContact CG1-CG2 4.13Å; I219-V278 HydrophobicContact CG2-CG2 3.95Å; V242-V278 HydrophobicContact CB-CG2 4.31Å; V242-V278 HydrophobicContact CG1-CG2 3.86Å; V278-V291 HydrophobicContact CG1-CG1 3.87Å; V278-V291 HydrophobicContact CG2-CG1 4.21Å; V278-S292 WeakPolarHBondContact CA-O 3.35Å; V278-I293 HydrophobicContact CG2-CG2 3.99Å
279	T	97.3	Very high	97.5	Very high	81 Å²	81	54.8 Å²	54.8	50%	0.497	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	-18.9	177.4	54.8	0	0	0	0	113	S292 E294	T279-S292 PolarHBondContact N-O 3.13Å; T279-S292 WeakPolarHBondContact OG1-CB 3.17Å; T279-S292 PolarHBondContact OG1-O 2.98Å; T279-E294 HydrophobicContact CG2-CG 3.86Å
280	G	97.8	Very high	97.5	Very high	18 Å²	18	55 Å²	55	19%	0.186	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.9	172.5	173.1	0	0	0	0	0	111.8	S292	G280-S292 PolarHBondContact O-N 2.83Å
281	A	98.3	Very high	97.5	Very high	16 Å²	16	54.9 Å²	54.9	13%	0.132	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	134.7	172.1	0	0	0	0	0	110.8	I193 I289 D290 V291 L309	I193-A281 HydrophobicContact CD1-CB 3.73Å; I193-A281 HydrophobicContact CG1-CB 4.04Å; I193-A281 HydrophobicContact CG2-CB 4.39Å; A281-I289 HydrophobicContact CB-CG2 4.04Å; A281-D290 WeakPolarHBondContact CA-O 3.33Å; A281-V291 HydrophobicContact CB-CG2 4.29Å; A281-L309 HydrophobicContact CB-CD2 3.51Å
282	T	98	Very high	97.5	Very high	92 Å²	92	52.1 Å²	52.1	56%	0.564	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.1	125.7	-174.8	-59.9	0	0	0	0	110.1	I289 D290	T282-I289 WeakPolarHBondContact O-CA 3.27Å; T282-D290 PolarHBondContact N-O 2.9Å; T282-D290 PolarHBondContact O-N 3.24Å
283	K	97.3	Very high	97.5	Very high	89 Å²	89	51 Å²	51	39%	0.387	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	133.1	169.2	-69	174.8	-172	173.1	0	109.8	D196 T199 I200 I289	D196-K283 IonicContact OD1-NZ 2.97Å; D196-K283 IonicContact OD2-NZ 2.67Å; D196-K283 PolarHBondContact OD2-NZ 3.28Å; T199-K283 WeakPolarHBondContact OG1-CE 3.23Å; T199-K283 PolarHBondContact OG1-NZ 2.87Å; I200-K283 HydrophobicContact CD1-CD 4.47Å; I200-K283 VanDerWaalsContact CD1-CE 3.41Å; I200-K283 HydrophobicContact CD1-CG 4.24Å; I200-K283 VanDerWaalsContact CG1-CE 3.44Å; K283-I289 HydrophobicContact CG-CG1 4.01Å
284	K	96.3	Very high	97.4	Very high	67 Å²	67	50.4 Å²	50.4	29%	0.291	29%	0.294	S	S	.	.			trans	-97.6	165.6	176.7	-70.4	-172	-63.3	-155.5	0	111.8	D286 G287 K288 D290	K284-D286 WeakPolarHBondContact CB-OD1 3.25Å; K284-D286 WeakPolarHBondContact CE-OD1 3.38Å; K284-D286 WeakPolarHBondContact CE-OD2 3.38Å; K284-D286 IonicContact NZ-OD2 3.86Å; K284-D286 PolarHBondContact O-N 2.86Å; K284-G287 PolarHBondContact O-N 3.42Å; K284-G287 VanDerWaalsContact O-N 3.14Å; K284-K288 WeakPolarHBondContact CB-O 3.43Å; K284-K288 PolarHBondContact N-O 3Å; K284-D290 WeakPolarHBondContact CD-OD2 3.32Å; K284-D290 WeakPolarHBondContact CE-OD1 3.35Å; K284-D290 VanDerWaalsContact NZ-CG 3.26Å; K284-D290 IonicContact NZ-OD1 2.75Å; K284-D290 PolarHBondContact NZ-OD1 3.44Å; K284-D290 IonicContact NZ-OD2 3.12Å; K284-D290 PolarHBondContact NZ-OD2 2.98Å; K284-D290 VanDerWaalsContact NZ-OD2 3.12Å
285	S	95.1	Very high	97.3	Very high	139 Å²	139	50.2 Å²	50.2	97%	0.972	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-14.6	174.9	47.1	0	0	0	0	114.4	G287	S285-G287 VanDerWaalsContact C-N 3.3Å
286	D	93.8	Very high	97.2	Very high	100 Å²	100	47.1 Å²	47.1	54%	0.535	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-2.2	172	66.1	1.6	0	0	0	113.3	K284 K288	K284-D286 WeakPolarHBondContact CB-OD1 3.25Å; K284-D286 WeakPolarHBondContact CE-OD1 3.38Å; K284-D286 WeakPolarHBondContact CE-OD2 3.38Å; K284-D286 IonicContact NZ-OD2 3.86Å; K284-D286 PolarHBondContact O-N 2.86Å; D286-K288 VanDerWaalsContact C-N 3.31Å; D286-K288 WeakPolarHBondContact OD1-CB 3.11Å; D286-K288 PolarHBondContact OD1-N 3.06Å
287	G	93.3	Very high	96.9	Very high	47 Å²	47	52 Å²	52	49%	0.485	32%	0.318	S	S	.	.	S	Bend	trans	83.2	-4.1	-176.8	0	0	0	0	0	114.9	K284 S285	K284-G287 PolarHBondContact O-N 3.42Å; K284-G287 VanDerWaalsContact O-N 3.14Å; S285-G287 VanDerWaalsContact C-N 3.3Å
288	K	97.9	Very high	96.5	Very high	57 Å²	57	50.1 Å²	50.1	25%	0.248	32%	0.32	C	S	.	.			trans	-86.4	161.6	174	-63.3	-167.9	-176.8	-108.7	0	111	E214 K284 D286 T305 C306 D307	E214-K288 IonicContact OE2-NZ 2.65Å; E214-K288 PolarHBondContact OE2-NZ 2.75Å; K284-K288 WeakPolarHBondContact CB-O 3.43Å; K284-K288 PolarHBondContact N-O 3Å; D286-K288 VanDerWaalsContact C-N 3.31Å; D286-K288 WeakPolarHBondContact OD1-CB 3.11Å; D286-K288 PolarHBondContact OD1-N 3.06Å; K288-T305 HydrophobicContact CB-CG2 3.83Å; K288-T305 HydrophobicContact CD-CG2 3.96Å; K288-C306 WeakPolarHBondContact CA-O 3.17Å; K288-C306 WeakPolarHBondContact CB-O 3.36Å; K288-D307 VanDerWaalsContact CE-OD1 3.27Å; K288-D307 WeakPolarHBondContact CE-OD1 3.25Å; K288-D307 IonicContact NZ-OD1 2.69Å; K288-D307 PolarHBondContact NZ-OD1 3.16Å; K288-D307 IonicContact NZ-OD2 2.64Å
289	I	98.8	Very high	96	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	125.4	-179.5	-62	152.3	0	0	0	109.1	T199 I200 A281 T282 K283 V291 T305 C306 L309	T199-I289 WeakPolarHBondContact O-CD1 3.19Å; I200-I289 HydrophobicContact CD1-CD1 4.48Å; I200-I289 HydrophobicContact CG1-CD1 3.6Å; I200-I289 HydrophobicContact CG1-CG1 4.21Å; A281-I289 HydrophobicContact CB-CG2 4.04Å; T282-I289 WeakPolarHBondContact O-CA 3.27Å; K283-I289 HydrophobicContact CG-CG1 4.01Å; I289-V291 HydrophobicContact CG2-CG2 4.01Å; I289-T305 CarbonylContact O-C 3.35Å; I289-T305 VanDerWaalsContact O-CA 3.3Å; I289-T305 WeakPolarHBondContact O-CA 3.31Å; I289-C306 PolarHBondContact N-O 3.22Å; I289-C306 PolarHBondContact O-N 3.33Å; I289-L309 HydrophobicContact CD1-CB 3.89Å; I289-L309 HydrophobicContact CG2-CB 4.41Å; I289-L309 HydrophobicContact CG2-CD2 4.13Å
290	D	98.7	Very high	95.6	Very high	37 Å²	37	56.4 Å²	56.4	20%	0.198	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	117.1	170.1	-79.6	-3.6	0	0	0	109.5	A281 T282 K284 V303 T305	A281-D290 WeakPolarHBondContact CA-O 3.33Å; T282-D290 PolarHBondContact N-O 2.9Å; T282-D290 PolarHBondContact O-N 3.24Å; K284-D290 WeakPolarHBondContact CD-OD2 3.32Å; K284-D290 WeakPolarHBondContact CE-OD1 3.35Å; K284-D290 VanDerWaalsContact NZ-CG 3.26Å; K284-D290 IonicContact NZ-OD1 2.75Å; K284-D290 PolarHBondContact NZ-OD1 3.44Å; K284-D290 IonicContact NZ-OD2 3.12Å; K284-D290 PolarHBondContact NZ-OD2 2.98Å; K284-D290 VanDerWaalsContact NZ-OD2 3.12Å; D290-V303 HydrophobicContact CB-CG1 3.65Å; D290-T305 WeakPolarHBondContact OD1-CA 3.48Å; D290-T305 WeakPolarHBondContact OD1-CB 3.31Å; D290-T305 VanDerWaalsContact OD1-CG2 3.29Å; D290-T305 WeakPolarHBondContact OD1-CG2 3.41Å; D290-T305 PolarHBondContact OD1-OG1 2.69Å
291	V	98.7	Very high	95.5	Very high	0 Å²	0	60 Å²	60	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	114.4	-179.8	-171.5	0	0	0	0	109.3	V217 V278 A281 I289 I293 V303 I304 L309	V217-V291 HydrophobicContact CB-CG2 4.43Å; V217-V291 HydrophobicContact CG1-CG2 4.28Å; V278-V291 HydrophobicContact CG1-CG1 3.87Å; V278-V291 HydrophobicContact CG2-CG1 4.21Å; A281-V291 HydrophobicContact CB-CG2 4.29Å; I289-V291 HydrophobicContact CG2-CG2 4.01Å; V291-I293 HydrophobicContact CG1-CG2 4.27Å; V291-V303 WeakPolarHBondContact O-CA 3.32Å; V291-I304 PolarHBondContact N-O 3.06Å; V291-I304 PolarHBondContact O-N 2.96Å; V291-L309 HydrophobicContact CG2-CD1 3.87Å; V291-L309 HydrophobicContact CG2-CD2 4.08Å
292	S	98.4	Very high	95.4	Very high	42 Å²	42	63.6 Å²	63.6	29%	0.294	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	129.7	176.3	-62.7	0	0	0	0	110.4	V278 T279 G280	V278-S292 WeakPolarHBondContact CA-O 3.35Å; T279-S292 PolarHBondContact N-O 3.13Å; T279-S292 WeakPolarHBondContact OG1-CB 3.17Å; T279-S292 PolarHBondContact OG1-O 2.98Å; G280-S292 PolarHBondContact O-N 2.83Å
293	I	98.4	Very high	95.4	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.021	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.3	-179.9	57.3	155.7	0	0	0	111.7	V242 K273 T276 K277 V278 V291 A301 E302 I304	V242-I293 HydrophobicContact CG1-CG2 4.05Å; V242-I293 HydrophobicContact CG2-CG2 4.43Å; K273-I293 HydrophobicContact CD-CD1 3.44Å; K273-I293 VanDerWaalsContact CD-CD1 3.44Å; T276-I293 HydrophobicContact CG2-CB 3.92Å; T276-I293 HydrophobicContact CG2-CD1 3.83Å; T276-I293 HydrophobicContact CG2-CG1 4.46Å; T276-I293 HydrophobicContact CG2-CG2 4.36Å; K277-I293 CarbonylContact O-C 3.57Å; K277-I293 VanDerWaalsContact O-CA 3.28Å; K277-I293 WeakPolarHBondContact O-CA 3.41Å; V278-I293 HydrophobicContact CG2-CG2 3.99Å; V291-I293 HydrophobicContact CG1-CG2 4.27Å; I293-A301 WeakPolarHBondContact O-CA 3.45Å; I293-E302 HydrophobicContact CD1-CB 4.03Å; I293-E302 HydrophobicContact CD1-CG 4.29Å; I293-E302 HydrophobicContact CG1-CB 3.88Å; I293-E302 HydrophobicContact CG1-CG 4.43Å; I293-E302 VanDerWaalsContact CG1-O 3.26Å; I293-E302 WeakPolarHBondContact CG1-O 3.03Å; I293-E302 PolarHBondContact N-O 3.13Å; I293-E302 PolarHBondContact O-N 3.26Å; I293-I304 HydrophobicContact CD1-CD1 3.87Å; I293-I304 HydrophobicContact CD1-CG1 4.1Å; I293-I304 HydrophobicContact CG1-CD1 4.48Å; I293-I304 HydrophobicContact CG1-CG1 4.37Å
294	E	96.7	Very high	95.5	Very high	43 Å²	43	59.3 Å²	59.3	20%	0.201	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	170.5	166.2	65.7	170.4	159.9	0	0	110.4	T276 K277 T279 G298 G299	T276-E294 CarbonylContact C-O 3.52Å; T276-E294 WeakPolarHBondContact CA-O 3.36Å; T276-E294 WeakPolarHBondContact CG2-O 3.43Å; K277-E294 HydrophobicContact CB-CG 4.5Å; K277-E294 WeakPolarHBondContact CE-OE1 3.36Å; K277-E294 PolarHBondContact N-O 2.82Å; K277-E294 IonicContact NZ-OE1 2.76Å; K277-E294 PolarHBondContact NZ-OE1 2.86Å; K277-E294 PolarHBondContact O-N 3.37Å; T279-E294 HydrophobicContact CG2-CG 3.86Å; E294-G298 WeakPolarHBondContact OE2-CA 3.12Å; E294-G299 WeakPolarHBondContact CB-O 3.44Å; E294-G299 PolarHBondContact OE2-N 3.21Å
295	A	97	Very high	95.6	Very high	23 Å²	23	58.4 Å²	58.4	19%	0.19	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	145.6	170.5	0	0	0	0	0	110.8	S297 G298 G299	A295-S297 PolarHBondContact O-N 2.89Å; A295-G298 WeakPolarHBondContact O-CA 3.13Å; A295-G298 PolarHBondContact O-N 3.48Å; A295-G299 WeakPolarHBondContact CB-O 3.23Å; A295-G299 PolarHBondContact N-O 3.31Å
296	A	94.7	Very high	95.8	Very high	29 Å²	29	51.8 Å²	51.8	24%	0.24	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.5	179.2	0	0	0	0	0	112.7	F244 N275 G298	F244-A296 HydrophobicContact CD2-CB 3.81Å; F244-A296 HydrophobicContact CE2-CB 3.63Å; F244-A296 HydrophobicContact CG-CB 4.49Å; F244-A296 HydrophobicContact CZ-CB 4.18Å; N275-A296 WeakPolarHBondContact O-CB 3.28Å; N275-A296 PolarHBondContact O-N 2.96Å; A296-G298 PolarHBondContact O-N 2.68Å
297	S	93.7	Very high	96	Very high	121 Å²	121	48.4 Å²	48.4	85%	0.846	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-0.9	171.5	59.9	0	0	0	0	114.8	A295	A295-S297 PolarHBondContact O-N 2.89Å
298	G	87.6	Confident	96.3	Very high	36 Å²	36	46.8 Å²	46.8	37%	0.371	29%	0.289	S	S	.	.	S	Bend	trans	89.7	149	-171.2	0	0	0	0	0	113.8	E294 A295 A296	E294-G298 WeakPolarHBondContact OE2-CA 3.12Å; A295-G298 WeakPolarHBondContact O-CA 3.13Å; A295-G298 PolarHBondContact O-N 3.48Å; A296-G298 PolarHBondContact O-N 2.68Å
299	G	89	Confident	96.3	Very high	36 Å²	36	44.1 Å²	44.1	37%	0.371	28%	0.277	S	S	.	.			trans	83.2	178.2	174.9	0	0	0	0	0	114.6	E294 A295	E294-G299 WeakPolarHBondContact CB-O 3.44Å; E294-G299 PolarHBondContact OE2-N 3.21Å; A295-G299 WeakPolarHBondContact CB-O 3.23Å; A295-G299 PolarHBondContact N-O 3.31Å
300	K	88.9	Confident	96.3	Very high	189 Å²	189	44.1 Å²	44.1	82%	0.822	28%	0.277	S	S	*	.			trans	54.2	55.8	-166.8	-59.3	179.5	179.2	176.6	0	112.2	E302	K300-E302 PolarHBondContact O-N 3.2Å
301	A	94.8	Very high	96.3	Very high	92 Å²	92	42.4 Å²	42.4	76%	0.76	27%	0.268	S	S	*	.			trans	-62.5	132	174.7	0	0	0	0	0	111.1	I293	I293-A301 WeakPolarHBondContact O-CA 3.45Å
302	E	97	Very high	96.3	Very high	93 Å²	93	43.3 Å²	43.3	44%	0.435	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	154.3	-179.6	178.9	-172.5	161.8	0	0	108.7	K273 I293 K300	K273-E302 WeakPolarHBondContact CE-OE1 3.46Å; K273-E302 IonicContact NZ-OE1 3.59Å; K273-E302 PolarHBondContact NZ-OE1 2.74Å; K273-E302 IonicContact NZ-OE2 2.75Å; K273-E302 PolarHBondContact NZ-OE2 2.68Å; I293-E302 HydrophobicContact CD1-CB 4.03Å; I293-E302 HydrophobicContact CD1-CG 4.29Å; I293-E302 HydrophobicContact CG1-CB 3.88Å; I293-E302 HydrophobicContact CG1-CG 4.43Å; I293-E302 VanDerWaalsContact CG1-O 3.26Å; I293-E302 WeakPolarHBondContact CG1-O 3.03Å; I293-E302 PolarHBondContact N-O 3.13Å; I293-E302 PolarHBondContact O-N 3.26Å; K300-E302 PolarHBondContact O-N 3.2Å
303	V	98.3	Very high	96.2	Very high	81 Å²	81	44.8 Å²	44.8	49%	0.491	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129.5	174.5	177.9	0	0	0	0	109.5	D290 V291	D290-V303 HydrophobicContact CB-CG1 3.65Å; V291-V303 WeakPolarHBondContact O-CA 3.32Å
304	I	98.3	Very high	96.1	Very high	10 Å²	10	46 Å²	46	5%	0.051	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	110.2	175	-45.5	176.6	0	0	0	109.3	V217 T240 V242 K273 V291 I293	V217-I304 HydrophobicContact CG2-CB 4.31Å; V217-I304 HydrophobicContact CG2-CG2 3.71Å; T240-I304 HydrophobicContact CG2-CD1 4.49Å; V242-I304 HydrophobicContact CG2-CD1 4.11Å; K273-I304 HydrophobicContact CD-CD1 3.88Å; V291-I304 PolarHBondContact N-O 3.06Å; V291-I304 PolarHBondContact O-N 2.96Å; I293-I304 HydrophobicContact CD1-CD1 3.87Å; I293-I304 HydrophobicContact CD1-CG1 4.1Å; I293-I304 HydrophobicContact CG1-CD1 4.48Å; I293-I304 HydrophobicContact CG1-CG1 4.37Å
305	T	98.7	Very high	96.2	Very high	47 Å²	47	46.7 Å²	46.7	29%	0.288	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	138.1	166.5	-49.5	0	0	0	0	110.9	K215 K288 I289 D290	K215-T305 WeakPolarHBondContact CD-O 3.22Å; K215-T305 VanDerWaalsContact CE-O 3.27Å; K215-T305 WeakPolarHBondContact CE-O 3.43Å; K215-T305 PolarHBondContact NZ-O 3.18Å; K288-T305 HydrophobicContact CB-CG2 3.83Å; K288-T305 HydrophobicContact CD-CG2 3.96Å; I289-T305 CarbonylContact O-C 3.35Å; I289-T305 VanDerWaalsContact O-CA 3.3Å; I289-T305 WeakPolarHBondContact O-CA 3.31Å; D290-T305 WeakPolarHBondContact OD1-CA 3.48Å; D290-T305 WeakPolarHBondContact OD1-CB 3.31Å; D290-T305 VanDerWaalsContact OD1-CG2 3.29Å; D290-T305 WeakPolarHBondContact OD1-CG2 3.41Å; D290-T305 PolarHBondContact OD1-OG1 2.69Å
306	C	98.8	Very high	96.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	169.5	173.5	61.4	0	0	0	0	111.3	K215 V217 K288 I289	K215-C306 HydrophobicContact CG-CB 4.33Å; V217-C306 HydrophobicContact CB-CB 4.25Å; V217-C306 HydrophobicContact CG2-CB 3.74Å; K288-C306 WeakPolarHBondContact CA-O 3.17Å; K288-C306 WeakPolarHBondContact CB-O 3.36Å; I289-C306 PolarHBondContact N-O 3.22Å; I289-C306 PolarHBondContact O-N 3.33Å
307	D	98.6	Very high	96.4	Very high	28 Å²	28	50.2 Å²	50.2	15%	0.15	30%	0.298	C	S	.	.	S	Bend	trans	-94.7	-31.1	177.1	-52.1	-82.2	0	0	0	112.4	P213 E214 K215 K288	P213-D307 HydrophobicContact CB-CB 4.34Å; E214-D307 WeakPolarHBondContact CB-OD2 3.46Å; K215-D307 PolarHBondContact N-OD2 2.62Å; K215-D307 PolarHBondContact O-N 3.09Å; K288-D307 VanDerWaalsContact CE-OD1 3.27Å; K288-D307 WeakPolarHBondContact CE-OD1 3.25Å; K288-D307 IonicContact NZ-OD1 2.69Å; K288-D307 PolarHBondContact NZ-OD1 3.16Å; K288-D307 IonicContact NZ-OD2 2.64Å
308	V	98.9	Very high	96.7	Very high	14 Å²	14	46.2 Å²	46.2	9%	0.085	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.3	177.5	173.8	0	0	0	0	109.7	T199 V201 L209 P213 K215 M216 V217	T199-V308 WeakPolarHBondContact O-CA 3.43Å; V201-V308 HydrophobicContact CG1-CG1 4.49Å; V201-V308 HydrophobicContact CG2-CG1 3.81Å; L209-V308 HydrophobicContact CD1-CG1 4.25Å; L209-V308 HydrophobicContact CD1-CG2 4.42Å; L209-V308 HydrophobicContact CD2-CG1 4.42Å; P213-V308 HydrophobicContact CB-CB 4.12Å; P213-V308 HydrophobicContact CB-CG2 3.85Å; P213-V308 HydrophobicContact CG-CB 4.4Å; P213-V308 HydrophobicContact CG-CG2 4.39Å; K215-V308 PolarHBondContact O-N 3.48Å; M216-V308 WeakPolarHBondContact CA-O 3.19Å; M216-V308 HydrophobicContact CE-CG1 4.37Å; M216-V308 HydrophobicContact CG-CB 4.39Å; M216-V308 HydrophobicContact CG-CG1 4.4Å; V217-V308 PolarHBondContact N-O 2.82Å
309	L	98.9	Very high	97.2	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	113.3	174.1	179.4	61.1	0	0	0	109.9	I193 T199 I200 V201 V217 I219 A281 I289 V291	I193-L309 HydrophobicContact CG2-CD2 4.26Å; T199-L309 PolarHBondContact O-N 3.21Å; I200-L309 CarbonylContact C-O 3.52Å; I200-L309 WeakPolarHBondContact CA-O 3.47Å; I200-L309 HydrophobicContact CD1-CD2 4.3Å; I200-L309 HydrophobicContact CG1-CB 4.21Å; I200-L309 HydrophobicContact CG1-CD2 4.28Å; I200-L309 HydrophobicContact CG2-CD2 4.26Å; I200-L309 HydrophobicContact CG2-CG 4.48Å; V201-L309 PolarHBondContact N-O 3.48Å; V217-L309 HydrophobicContact CB-CD1 3.84Å; V217-L309 HydrophobicContact CG1-CD1 3.65Å; V217-L309 WeakPolarHBondContact O-CA 3.33Å; I219-L309 HydrophobicContact CD1-CD1 3.96Å; I219-L309 HydrophobicContact CD1-CD2 4.24Å; I219-L309 HydrophobicContact CD1-CG 4.33Å; I219-L309 HydrophobicContact CG1-CD1 3.75Å; A281-L309 HydrophobicContact CB-CD2 3.51Å; I289-L309 HydrophobicContact CD1-CB 3.89Å; I289-L309 HydrophobicContact CG2-CB 4.41Å; I289-L309 HydrophobicContact CG2-CD2 4.13Å; V291-L309 HydrophobicContact CG2-CD1 3.87Å; V291-L309 HydrophobicContact CG2-CD2 4.08Å
310	L	98.9	Very high	97.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.4	171.5	167.4	58.1	0	0	0	110.3	V201 S202 A206 M216 V217 V218 I219 L228 C312	V201-L310 HydrophobicContact CG2-CB 4.21Å; V201-L310 HydrophobicContact CG2-CD1 4.37Å; V201-L310 WeakPolarHBondContact O-CA 3.33Å; S202-L310 VanDerWaalsContact C-CD1 3.41Å; S202-L310 WeakPolarHBondContact O-CD1 3.45Å; A206-L310 HydrophobicContact CB-CD1 3.92Å; A206-L310 HydrophobicContact CB-CD2 4.26Å; M216-L310 HydrophobicContact CE-CB 3.56Å; M216-L310 HydrophobicContact CE-CD2 3.91Å; M216-L310 HydrophobicContact CE-CG 4.37Å; V217-L310 PolarHBondContact O-N 2.87Å; V218-L310 HydrophobicContact CG1-CB 4.46Å; V218-L310 HydrophobicContact CG1-CD2 3.96Å; V218-L310 HydrophobicContact CG1-CG 4.16Å; V218-L310 HydrophobicContact CG2-CB 4.33Å; V218-L310 HydrophobicContact CG2-CD2 4.29Å; I219-L310 PolarHBondContact N-O 3.24Å; L228-L310 HydrophobicContact CB-CD2 3.8Å; L228-L310 HydrophobicContact CD1-CD2 4.04Å; L310-C312 HydrophobicContact CD1-CB 4.22Å; L310-C312 HydrophobicContact CG-CB 4.25Å
311	V	98.8	Very high	98.1	Very high	1 Å²	1	47 Å²	47	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	109	172	-174.7	0	0	0	0	109.3	F190 I193 I195 I200 V201 I219 I313	F190-V311 HydrophobicContact CB-CG1 3.82Å; I193-V311 HydrophobicContact CG2-CG2 4.2Å; I195-V311 HydrophobicContact CD1-CB 3.99Å; I195-V311 HydrophobicContact CD1-CG1 4.24Å; I195-V311 HydrophobicContact CD1-CG2 4.42Å; I195-V311 HydrophobicContact CG1-CB 4.18Å; I195-V311 HydrophobicContact CG1-CG2 4.06Å; I200-V311 HydrophobicContact CG2-CG2 3.87Å; V201-V311 PolarHBondContact O-N 3.45Å; I219-V311 HydrophobicContact CD1-CG2 4.36Å; V311-I313 HydrophobicContact CG1-CG1 4.44Å
312	C	96.9	Very high	98.3	Very high	20 Å²	20	42.9 Å²	42.9	14%	0.135	22%	0.221	C	C	.	.			trans	-137.1	36.6	-179.4	55.9	0	0	0	0	113.6	V218 I219 I224 G225 L310 G314	V218-C312 WeakPolarHBondContact CG1-SG 3.13Å; I219-C312 CarbonylContact O-C 3.59Å; I219-C312 VanDerWaalsContact O-C 3.28Å; I219-C312 PolarHBondContact O-N 3.31Å; I219-C312 PolarHBondContact O-SG 3.44Å; I224-C312 HydrophobicContact CG2-CB 4.26Å; G225-C312 WeakPolarHBondContact CA-SG 3.46Å; L310-C312 HydrophobicContact CD1-CB 4.22Å; L310-C312 HydrophobicContact CG-CB 4.25Å; C312-G314 PolarHBondContact O-N 3.39Å
313	I	96.6	Very high	98.3	Very high	72 Å²	72	38.6 Å²	38.6	37%	0.369	20%	0.202	S	C	.	.	S	Bend	trans	-61.6	-9.1	178.2	58	165.9	0	0	0	115.4	T188 F190 I219 V311	T188-I313 HydrophobicContact CG2-CD1 3.98Å; T188-I313 HydrophobicContact CG2-CG1 4.35Å; F190-I313 HydrophobicContact CB-CD1 4.06Å; F190-I313 HydrophobicContact CD2-CD1 4.02Å; F190-I313 HydrophobicContact CD2-CG2 3.9Å; F190-I313 HydrophobicContact CE2-CG2 4.4Å; F190-I313 HydrophobicContact CG-CD1 4.43Å; I219-I313 HydrophobicContact CB-CG2 4.28Å; I219-I313 HydrophobicContact CG2-CG2 3.55Å; I219-I313 PolarHBondContact O-N 2.93Å; V311-I313 HydrophobicContact CG1-CG1 4.44Å
314	G	96.3	Very high	98.3	Very high	31 Å²	31	35.3 Å²	35.3	32%	0.32	18%	0.181	S	C	.	.			trans	149.9	-171.3	175.2	0	0	0	0	0	113.5	T188 C312	T188-G314 PolarHBondContact N-O 2.95Å; C312-G314 PolarHBondContact O-N 3.39Å
315	R	98.5	Very high	98.2	Very high	56 Å²	56	43.2 Å²	43.2	21%	0.211	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	158.3	174.5	-60.7	-174.6	64.1	76.3	6.4	109.6	S185 E186 T188 M361	S185-R315 VanDerWaalsContact C-NH2 3.29Å; S185-R315 PolarHBondContact O-NH2 2.76Å; S185-R315 VanDerWaalsContact OG-CZ 3.29Å; S185-R315 PolarHBondContact OG-NE 2.94Å; S185-R315 PolarHBondContact OG-NH2 3.45Å; E186-R315 CarbonylContact O-C 3.52Å; E186-R315 VanDerWaalsContact O-CA 3.26Å; E186-R315 WeakPolarHBondContact O-CA 3.43Å; E186-R315 WeakPolarHBondContact O-CB 3.48Å; T188-R315 WeakPolarHBondContact OG1-CA 3.38Å; T188-R315 PolarHBondContact OG1-N 3.1Å; T188-R315 PolarHBondContact OG1-O 2.64Å; R315-M361 HydrophobicContact CB-CE 3.79Å; R315-M361 HydrophobicContact CB-SD 4.49Å
316	R	98.5	Very high	98.1	Very high	108 Å²	108	47.1 Å²	47.1	41%	0.408	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	151.5	178.3	66.3	-178	-174	-172.7	1.1	111.7	S185 E186	S185-R316 CarbonylContact C-O 3.56Å; S185-R316 WeakPolarHBondContact CA-O 3.34Å; S185-R316 WeakPolarHBondContact CB-O 3.4Å; E186-R316 HydrophobicContact CG-CG 3.83Å; E186-R316 PolarHBondContact N-O 3.47Å; E186-R316 PolarHBondContact O-N 3.42Å; E186-R316 IonicContact OE1-CZ 3.18Å; E186-R316 IonicContact OE1-NE 3.4Å; E186-R316 PolarHBondContact OE1-NE 3.19Å; E186-R316 IonicContact OE1-NH2 3.59Å; E186-R316 PolarHBondContact OE1-NH2 3.5Å
317	P	98.8	Very high	98	Very high	19 Å²	19	49 Å²	49	12%	0.123	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	145.5	175.8	-30	37.3	0	0	0	113.6	G335 R336 V356	P317-G335 VanDerWaalsContact CB-O 3.32Å; P317-G335 WeakPolarHBondContact CB-O 3.37Å; P317-R336 HydrophobicContact CG-CB 4.25Å; P317-R336 HydrophobicContact CG-CG 3.51Å; P317-V356 HydrophobicContact CB-CG2 4.07Å
318	F	98.8	Very high	97.9	Very high	36 Å²	36	49.2 Å²	49.2	16%	0.158	25%	0.252	C	S	.	.			trans	-108.9	100.4	174.3	-170.9	-94.5	0	0	0	111	Y153 T183 G184 E186 K320	Y153-F318 WeakPolarHBondContact OH-CE1 3.5Å; Y153-F318 WeakPolarHBondContact OH-CZ 3.4Å; T183-F318 VanDerWaalsContact CB-O 3.24Å; T183-F318 WeakPolarHBondContact CB-O 3.37Å; T183-F318 PolarHBondContact OG1-O 2.83Å; G184-F318 PolarHBondContact O-N 3.11Å; E186-F318 HydrophobicContact CB-CD2 4.21Å; E186-F318 HydrophobicContact CG-CD2 4.12Å; E186-F318 WeakPolarHBondContact OE2-CD2 3.47Å; E186-F318 WeakPolarHBondContact OE2-CE2 3.45Å; F318-K320 HydrophobicContact CE2-CB 4.23Å; F318-K320 HydrophobicContact CZ-CB 4.17Å
319	T	98.6	Very high	97.9	Very high	28 Å²	28	48.9 Å²	48.9	17%	0.172	25%	0.249	C	C	.	.			trans	-123.3	2.4	-177.8	51	0	0	0	0	113.4	L322 L324 L331 I337 V356	T319-L322 VanDerWaalsContact O-CB 3.32Å; T319-L322 WeakPolarHBondContact O-CB 3.34Å; T319-L322 PolarHBondContact O-N 3.48Å; T319-L324 HydrophobicContact CG2-CD1 4.01Å; T319-L331 HydrophobicContact CG2-CD1 4.4Å; T319-L331 HydrophobicContact CG2-CD2 4.04Å; T319-L331 WeakPolarHBondContact OG1-CD1 3.16Å; T319-I337 HydrophobicContact CG2-CD1 4.08Å; T319-I337 HydrophobicContact CG2-CG1 3.94Å; T319-V356 HydrophobicContact CG2-CG2 3.49Å; T319-V356 VanDerWaalsContact CG2-CG2 3.49Å
320	K	98.4	Very high	97.9	Very high	139 Å²	139	55.4 Å²	55.4	60%	0.604	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	137.8	-176.4	-175.6	171.6	-177.7	177.2	0	111.4	Y153 F318 L322	Y153-K320 PolarHBondContact OH-O 3.37Å; F318-K320 HydrophobicContact CE2-CB 4.23Å; F318-K320 HydrophobicContact CZ-CB 4.17Å; K320-L322 PolarHBondContact O-N 2.85Å
321	N	98.1	Very high	97.9	Very high	111 Å²	111	58.9 Å²	58.9	59%	0.594	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	11	175.4	-62.7	9.4	0	0	0	116.4	Y153 K155 G323	Y153-N321 HydrophobicContact CE1-CB 3.96Å; K155-N321 WeakPolarHBondContact CG-O 3.43Å; N321-G323 VanDerWaalsContact C-N 3.3Å; N321-G323 PolarHBondContact O-N 3.39Å
322	L	98.6	Very high	97.9	Very high	6 Å²	6	60.7 Å²	60.7	3%	0.031	31%	0.307	C	S	.	.	S	Bend	trans	-74.6	-13.4	-172.3	-177.6	59.4	0	0	0	114.3	I47 I156 I181 T183 T319 K320 L324	I47-L322 HydrophobicContact CD1-CD1 3.93Å; I47-L322 HydrophobicContact CG2-CD1 4.06Å; I156-L322 HydrophobicContact CD1-CG 4.48Å; I156-L322 HydrophobicContact CG1-CD1 4.34Å; I156-L322 PolarHBondContact N-O 2.78Å; I181-L322 HydrophobicContact CD1-CD2 4.12Å; I181-L322 HydrophobicContact CG1-CD2 4.25Å; I181-L322 HydrophobicContact CG2-CD2 3.59Å; T183-L322 HydrophobicContact CG2-CD1 4.24Å; T183-L322 HydrophobicContact CG2-CD2 4.19Å; T319-L322 VanDerWaalsContact O-CB 3.32Å; T319-L322 WeakPolarHBondContact O-CB 3.34Å; T319-L322 PolarHBondContact O-N 3.48Å; K320-L322 PolarHBondContact O-N 2.85Å; L322-L324 HydrophobicContact CB-CG 4.24Å; L322-L324 HydrophobicContact CD2-CD1 4.19Å; L322-L324 HydrophobicContact CD2-CD2 4.02Å; L322-L324 HydrophobicContact CD2-CG 4.1Å; L322-L324 HydrophobicContact CG-CD2 4.19Å; L322-L324 HydrophobicContact CG-CG 4.23Å
323	G	98.3	Very high	97.9	Very high	3 Å²	3	66.4 Å²	66.4	3%	0.031	35%	0.345	C	S	.	.	S	Bend	trans	95.1	11.6	-178.1	0	0	0	0	0	114.9	N321 E326 L327	N321-G323 VanDerWaalsContact C-N 3.3Å; N321-G323 PolarHBondContact O-N 3.39Å; G323-E326 VanDerWaalsContact C-OE2 3.25Å; G323-E326 VanDerWaalsContact CA-OE2 3.24Å; G323-E326 WeakPolarHBondContact CA-OE2 3.45Å; G323-L327 WeakPolarHBondContact O-CD1 3.46Å; G323-L327 VanDerWaalsContact O-CG 3.27Å; G323-L327 WeakPolarHBondContact O-CG 3.45Å; G323-L327 PolarHBondContact O-N 2.79Å
324	L	98.1	Very high	97.9	Very high	11 Å²	11	71.1 Å²	71.1	6%	0.058	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-38.9	-174.4	-59.9	-174.8	0	0	0	113.1	I156 I181 T319 L322 L327 G328 I329 L331 I337	I156-L324 HydrophobicContact CD1-CD2 4.41Å; I181-L324 HydrophobicContact CD1-CD2 3.91Å; T319-L324 HydrophobicContact CG2-CD1 4.01Å; L322-L324 HydrophobicContact CB-CG 4.24Å; L322-L324 HydrophobicContact CD2-CD1 4.19Å; L322-L324 HydrophobicContact CD2-CD2 4.02Å; L322-L324 HydrophobicContact CD2-CG 4.1Å; L322-L324 HydrophobicContact CG-CD2 4.19Å; L322-L324 HydrophobicContact CG-CG 4.23Å; L324-L327 CarbonylContact O-C 3.58Å; L324-L327 PolarHBondContact O-N 2.88Å; L324-G328 PolarHBondContact O-N 3.35Å; L324-G328 VanDerWaalsContact O-N 3.08Å; L324-I329 HydrophobicContact CB-CB 4.14Å; L324-I329 HydrophobicContact CD2-CB 4.26Å; L324-I329 HydrophobicContact CD2-CD1 4.08Å; L324-I329 HydrophobicContact CD2-CG2 4.32Å; L324-I329 PolarHBondContact O-N 3.39Å; L324-L331 HydrophobicContact CD1-CD2 3.86Å; L324-I337 HydrophobicContact CD1-CD1 3.86Å; L324-I337 HydrophobicContact CD1-CG1 4.01Å
325	E	96.5	Very high	98	Very high	176 Å²	176	70.7 Å²	70.7	82%	0.822	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-43.2	-178.9	-173	177.6	168	0	0	111	L327 G328	E325-L327 PolarHBondContact O-N 2.91Å; E325-G328 WeakPolarHBondContact O-CA 3.46Å; E325-G328 PolarHBondContact O-N 3.43Å
326	E	96.8	Very high	98	Very high	130 Å²	130	70.6 Å²	70.6	61%	0.607	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.6	177.3	-54.2	99.6	128.1	0	0	113.4	K155 G323	K155-E326 WeakPolarHBondContact CE-OE1 3.36Å; K155-E326 IonicContact NZ-OE1 2.58Å; K155-E326 PolarHBondContact NZ-OE1 2.89Å; G323-E326 VanDerWaalsContact C-OE2 3.25Å; G323-E326 VanDerWaalsContact CA-OE2 3.24Å; G323-E326 WeakPolarHBondContact CA-OE2 3.45Å
327	L	96.2	Very high	98.1	Very high	40 Å²	40	65.6 Å²	65.6	21%	0.209	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-2.2	170.6	-66.3	169	0	0	0	112.8	I156 G323 L324 E325 I329 I347 I350	I156-L327 HydrophobicContact CB-CD1 3.91Å; I156-L327 HydrophobicContact CD1-CD1 4.3Å; I156-L327 HydrophobicContact CG2-CD1 3.57Å; G323-L327 WeakPolarHBondContact O-CD1 3.46Å; G323-L327 VanDerWaalsContact O-CG 3.27Å; G323-L327 WeakPolarHBondContact O-CG 3.45Å; G323-L327 PolarHBondContact O-N 2.79Å; L324-L327 CarbonylContact O-C 3.58Å; L324-L327 PolarHBondContact O-N 2.88Å; E325-L327 PolarHBondContact O-N 2.91Å; L327-I329 HydrophobicContact CB-CD1 4.18Å; L327-I329 HydrophobicContact CB-CG1 4.03Å; L327-I329 HydrophobicContact CD1-CD1 4.27Å; L327-I329 PolarHBondContact O-N 3.16Å; L327-I347 HydrophobicContact CB-CD1 3.99Å; L327-I347 HydrophobicContact CD2-CD1 4.26Å; L327-I350 HydrophobicContact CD1-CD1 4.03Å
328	G	97.5	Very high	98.1	Very high	33 Å²	33	68 Å²	68	34%	0.34	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	19.3	-174.1	0	0	0	0	0	114.4	L324 E325 E330 K346	L324-G328 PolarHBondContact O-N 3.35Å; L324-G328 VanDerWaalsContact O-N 3.08Å; E325-G328 WeakPolarHBondContact O-CA 3.46Å; E325-G328 PolarHBondContact O-N 3.43Å; G328-E330 PolarHBondContact O-N 3.47Å; G328-E330 VanDerWaalsContact O-N 3.09Å; G328-K346 WeakPolarHBondContact O-CD 3.46Å; G328-K346 WeakPolarHBondContact O-CE 3.21Å; G328-K346 PolarHBondContact O-NZ 2.89Å
329	I	98.4	Very high	98.1	Very high	7 Å²	7	68.7 Å²	68.7	4%	0.036	36%	0.357	C	S	.	.			trans	-78.4	89.5	174.9	-58.3	176.7	0	0	0	108.4	L324 L327 I337 T345 K346 I347 I350	L324-I329 HydrophobicContact CB-CB 4.14Å; L324-I329 HydrophobicContact CD2-CB 4.26Å; L324-I329 HydrophobicContact CD2-CD1 4.08Å; L324-I329 HydrophobicContact CD2-CG2 4.32Å; L324-I329 PolarHBondContact O-N 3.39Å; L327-I329 HydrophobicContact CB-CD1 4.18Å; L327-I329 HydrophobicContact CB-CG1 4.03Å; L327-I329 HydrophobicContact CD1-CD1 4.27Å; L327-I329 PolarHBondContact O-N 3.16Å; I329-I337 HydrophobicContact CG2-CG2 4.23Å; I329-T345 HydrophobicContact CG2-CG2 4.49Å; I329-K346 HydrophobicContact CG1-CD 4.46Å; I329-K346 HydrophobicContact CG1-CG 4.33Å; I329-I347 HydrophobicContact CD1-CD1 4.13Å; I329-I347 HydrophobicContact CD1-CG1 4.38Å; I329-I347 HydrophobicContact CG1-CD1 4.17Å; I329-I347 HydrophobicContact CG1-CG1 4.35Å; I329-I350 HydrophobicContact CD1-CD1 4.34Å; I329-I350 HydrophobicContact CD1-CG2 4.24Å
330	E	98.1	Very high	98.1	Very high	137 Å²	137	70.8 Å²	70.8	64%	0.64	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-62.3	145.3	174.7	-66.3	148.8	-97.5	0	0	111.7	G328 P338 K346	G328-E330 PolarHBondContact O-N 3.47Å; G328-E330 VanDerWaalsContact O-N 3.09Å; E330-P338 WeakPolarHBondContact O-CD 3.45Å; E330-K346 IonicContact OE1-NZ 3.9Å; E330-K346 PolarHBondContact OE1-NZ 2.78Å
331	L	98.7	Very high	98.1	Very high	73 Å²	73	70.1 Å²	70.1	38%	0.382	38%	0.375	S	S	.	.	P	Polyproline II helix	trans	-96.6	155.2	173.8	-59.1	178	0	0	0	110.6	T319 L324 R336 I337	T319-L331 HydrophobicContact CG2-CD1 4.4Å; T319-L331 HydrophobicContact CG2-CD2 4.04Å; T319-L331 WeakPolarHBondContact OG1-CD1 3.16Å; L324-L331 HydrophobicContact CD1-CD2 3.86Å; L331-R336 WeakPolarHBondContact CA-O 3.5Å; L331-I337 HydrophobicContact CD2-CB 4.47Å; L331-I337 HydrophobicContact CD2-CG1 3.71Å
332	D	98.4	Very high	98.1	Very high	38 Å²	38	69.1 Å²	69.1	20%	0.203	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-73.2	170.3	172.1	93	-19.2	0	0	0	112.3	R334 G335 R336	D332-R334 PolarHBondContact O-N 3.39Å; D332-R334 VanDerWaalsContact OD1-CA 3.31Å; D332-R334 WeakPolarHBondContact OD1-CA 3.03Å; D332-R334 WeakPolarHBondContact OD1-CB 2.88Å; D332-R334 PolarHBondContact OD1-N 3Å; D332-G335 PolarHBondContact O-N 2.8Å; D332-G335 PolarHBondContact OD1-N 3.04Å; D332-G335 VanDerWaalsContact OD1-N 3.13Å; D332-R336 PolarHBondContact N-O 2.92Å; D332-R336 WeakPolarHBondContact OD1-CB 3.41Å; D332-R336 PolarHBondContact OD1-N 2.95Å; D332-R336 IonicContact OD1-NE 2.68Å; D332-R336 IonicContact OD2-CZ 2.74Å; D332-R336 IonicContact OD2-NE 2.64Å; D332-R336 PolarHBondContact OD2-NE 2.88Å; D332-R336 IonicContact OD2-NH2 2.68Å; D332-R336 PolarHBondContact OD2-NH2 2.68Å
333	P	98.3	Very high	98.1	Very high	141 Å²	141	69.2 Å²	69.2	92%	0.916	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-3.5	179.6	-25.7	36	0	0	0	116
334	R	96.9	Very high	98.1	Very high	170 Å²	170	71 Å²	71	64%	0.642	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	8.5	174	-67.1	177.5	57.3	178	-4.1	112.4	D332 R336	D332-R334 PolarHBondContact O-N 3.39Å; D332-R334 VanDerWaalsContact OD1-CA 3.31Å; D332-R334 WeakPolarHBondContact OD1-CA 3.03Å; D332-R334 WeakPolarHBondContact OD1-CB 2.88Å; D332-R334 PolarHBondContact OD1-N 3Å; R334-R336 VanDerWaalsContact C-N 3.32Å; R334-R336 HydrophobicContact CB-CG 4.42Å
335	G	98.3	Very high	98.2	Very high	23 Å²	23	71 Å²	71	24%	0.237	37%	0.371	C	S	.	.	S	Bend	trans	78	9.8	-179.5	0	0	0	0	0	114.7	P317 D332	P317-G335 VanDerWaalsContact CB-O 3.32Å; P317-G335 WeakPolarHBondContact CB-O 3.37Å; D332-G335 PolarHBondContact O-N 2.8Å; D332-G335 PolarHBondContact OD1-N 3.04Å; D332-G335 VanDerWaalsContact OD1-N 3.13Å
336	R	98.8	Very high	98.3	Very high	54 Å²	54	68.6 Å²	68.6	20%	0.204	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-81.8	149.8	-179.7	-59.6	174.4	-66.2	178.6	9.2	110.3	P317 L331 D332 R334 P338 V356 V357	P317-R336 HydrophobicContact CG-CB 4.25Å; P317-R336 HydrophobicContact CG-CG 3.51Å; L331-R336 WeakPolarHBondContact CA-O 3.5Å; D332-R336 PolarHBondContact N-O 2.92Å; D332-R336 WeakPolarHBondContact OD1-CB 3.41Å; D332-R336 PolarHBondContact OD1-N 2.95Å; D332-R336 IonicContact OD1-NE 2.68Å; D332-R336 IonicContact OD2-CZ 2.74Å; D332-R336 IonicContact OD2-NE 2.64Å; D332-R336 PolarHBondContact OD2-NE 2.88Å; D332-R336 IonicContact OD2-NH2 2.68Å; D332-R336 PolarHBondContact OD2-NH2 2.68Å; R334-R336 VanDerWaalsContact C-N 3.32Å; R334-R336 HydrophobicContact CB-CG 4.42Å; R336-P338 WeakPolarHBondContact O-CD 3.41Å; R336-V356 CarbonylContact C-O 3.6Å; R336-V356 VanDerWaalsContact CA-O 3.32Å; R336-V356 WeakPolarHBondContact CA-O 3.4Å; R336-V357 VanDerWaalsContact CD-O 3.25Å; R336-V357 WeakPolarHBondContact CD-O 3.3Å
337	I	98.9	Very high	98.4	Very high	2 Å²	2	63.8 Å²	63.8	1%	0.01	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-77	122.6	171.3	-59.3	176.1	0	0	0	108.4	I181 T319 L324 I329 L331 V339 T345 A352 V356 V357	I181-I337 HydrophobicContact CB-CD1 4.32Å; I181-I337 HydrophobicContact CD1-CD1 3.8Å; I181-I337 HydrophobicContact CG2-CD1 3.81Å; T319-I337 HydrophobicContact CG2-CD1 4.08Å; T319-I337 HydrophobicContact CG2-CG1 3.94Å; L324-I337 HydrophobicContact CD1-CD1 3.86Å; L324-I337 HydrophobicContact CD1-CG1 4.01Å; I329-I337 HydrophobicContact CG2-CG2 4.23Å; L331-I337 HydrophobicContact CD2-CB 4.47Å; L331-I337 HydrophobicContact CD2-CG1 3.71Å; I337-V339 HydrophobicContact CG2-CG1 4.28Å; I337-T345 HydrophobicContact CG2-CG2 3.61Å; I337-A352 HydrophobicContact CB-CB 4.04Å; I337-A352 HydrophobicContact CD1-CB 3.93Å; I337-A352 HydrophobicContact CG2-CB 3.87Å; I337-V356 HydrophobicContact CD1-CG1 4.1Å; I337-V356 HydrophobicContact CD1-CG2 3.99Å; I337-V356 HydrophobicContact CG1-CG2 4.22Å; I337-V356 PolarHBondContact N-O 2.85Å; I337-V357 HydrophobicContact CB-CG1 4.37Å
338	P	98.8	Very high	98.5	Very high	70 Å²	70	65.9 Å²	65.9	46%	0.455	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-69.9	132.8	172.3	-16.5	31.7	0	0	0	110.6	E330 R336	E330-P338 WeakPolarHBondContact O-CD 3.45Å; R336-P338 WeakPolarHBondContact O-CD 3.41Å
339	V	98.9	Very high	98.5	Very high	50 Å²	50	65.1 Å²	65.1	30%	0.303	34%	0.34	S	S	.	.			trans	-135.6	155.9	179.1	-65.9	0	0	0	0	112.3	I337 F343 Q344 T345 A352 V357	I337-V339 HydrophobicContact CG2-CG1 4.28Å; V339-F343 WeakPolarHBondContact CG1-O 3.05Å; V339-F343 HydrophobicContact CG2-CD1 4.32Å; V339-Q344 CarbonylContact C-O 3.56Å; V339-Q344 WeakPolarHBondContact CA-O 3.35Å; V339-T345 HydrophobicContact CG1-CG2 4.34Å; V339-A352 HydrophobicContact CG1-CB 3.88Å; V339-V357 HydrophobicContact CG1-CG1 3.98Å; V339-V357 HydrophobicContact CG2-CB 4.26Å; V339-V357 HydrophobicContact CG2-CG1 4.11Å
340	N	98.7	Very high	98.6	Very high	72 Å²	72	64.8 Å²	64.8	39%	0.385	34%	0.338	S	S	.	.			trans	-84.9	-177	172.1	76.4	8.2	0	0	0	112.3	R342 F343 Q344	N340-R342 PolarHBondContact O-N 3Å; N340-R342 VanDerWaalsContact O-N 3.11Å; N340-R342 WeakPolarHBondContact OD1-CA 3.25Å; N340-R342 PolarHBondContact OD1-N 2.84Å; N340-F343 WeakPolarHBondContact O-CA 3.45Å; N340-F343 PolarHBondContact O-N 2.93Å; N340-F343 PolarHBondContact OD1-N 2.85Å; N340-Q344 PolarHBondContact N-O 3.48Å; N340-Q344 PolarHBondContact ND2-OE1 2.67Å; N340-Q344 WeakPolarHBondContact OD1-CB 3.24Å; N340-Q344 PolarHBondContact OD1-N 2.79Å
341	T	98.3	Very high	98.6	Very high	125 Å²	125	59 Å²	59	77%	0.767	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-8.7	179.9	51.9	0	0	0	0	115.3	V382	T341-V382 VanDerWaalsContact O-CG1 3.31Å; T341-V382 WeakPolarHBondContact O-CG1 3.37Å
342	R	98.6	Very high	98.6	Very high	90 Å²	90	55.5 Å²	55.5	34%	0.34	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	18.2	170.3	-70	-171.6	167.7	-92.4	-7.9	112.4	N340 Q344 Y351 G376 G380 V382	N340-R342 PolarHBondContact O-N 3Å; N340-R342 VanDerWaalsContact O-N 3.11Å; N340-R342 WeakPolarHBondContact OD1-CA 3.25Å; N340-R342 PolarHBondContact OD1-N 2.84Å; R342-Q344 HydrophobicContact CB-CG 4.39Å; R342-Q344 PolarHBondContact O-N 3.48Å; R342-Y351 WeakPolarHBondContact O-CD1 3.3Å; R342-G376 PolarHBondContact NH1-O 2.79Å; R342-G380 PolarHBondContact NH1-O 3.34Å; R342-G380 PolarHBondContact NH2-O 3.07Å; R342-V382 HydrophobicContact CG-CB 4.4Å; R342-V382 HydrophobicContact CG-CG2 4Å
343	F	98.9	Very high	98.6	Very high	9 Å²	9	53.8 Å²	53.8	4%	0.039	28%	0.283	C	S	.	.	S	Bend	trans	61.9	14.9	-177.9	-58.5	-82.1	0	0	0	114.9	V339 N340 Y351 A352 I353 E369 I372 C373 V382 I384	V339-F343 WeakPolarHBondContact CG1-O 3.05Å; V339-F343 HydrophobicContact CG2-CD1 4.32Å; N340-F343 WeakPolarHBondContact O-CA 3.45Å; N340-F343 PolarHBondContact O-N 2.93Å; N340-F343 PolarHBondContact OD1-N 2.85Å; F343-Y351 CarbonylContact O-C 3.58Å; F343-Y351 WeakPolarHBondContact O-CA 3.38Å; F343-Y351 WeakPolarHBondContact O-CB 3.4Å; F343-A352 PolarHBondContact O-N 2.76Å; F343-I353 HydrophobicContact CB-CG2 4.16Å; F343-I353 HydrophobicContact CD1-CG2 4.14Å; F343-I353 HydrophobicContact CG-CG2 4.14Å; F343-E369 HydrophobicContact CD1-CG 4.49Å; F343-E369 HydrophobicContact CE1-CB 4.15Å; F343-E369 HydrophobicContact CE1-CG 3.6Å; F343-E369 WeakPolarHBondContact CE1-OE1 3.31Å; F343-E369 HydrophobicContact CZ-CB 4.21Å; F343-E369 HydrophobicContact CZ-CG 3.69Å; F343-I372 HydrophobicContact CD2-CG1 4.49Å; F343-I372 HydrophobicContact CE2-CD1 3.71Å; F343-I372 HydrophobicContact CE2-CG1 3.77Å; F343-I372 HydrophobicContact CZ-CD1 4.1Å; F343-I372 HydrophobicContact CZ-CG1 4.5Å; F343-C373 HydrophobicContact CB-CB 4.2Å; F343-C373 HydrophobicContact CD2-CB 4.03Å; F343-C373 HydrophobicContact CG-CB 4.32Å; F343-V382 HydrophobicContact CD2-CG1 3.97Å; F343-V382 HydrophobicContact CE2-CG1 3.62Å; F343-I384 HydrophobicContact CZ-CG2 4.2Å
344	Q	98.9	Very high	98.7	Very high	41 Å²	41	47.3 Å²	47.3	19%	0.192	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-79.2	139.4	176.5	-62.1	164.6	-29	0	0	110.6	V339 N340 R342 P348 Y351	V339-Q344 CarbonylContact C-O 3.56Å; V339-Q344 WeakPolarHBondContact CA-O 3.35Å; N340-Q344 PolarHBondContact N-O 3.48Å; N340-Q344 PolarHBondContact ND2-OE1 2.67Å; N340-Q344 WeakPolarHBondContact OD1-CB 3.24Å; N340-Q344 PolarHBondContact OD1-N 2.79Å; R342-Q344 HydrophobicContact CB-CG 4.39Å; R342-Q344 PolarHBondContact O-N 3.48Å; Q344-P348 PolarHBondContact NE2-O 3.04Å; Q344-Y351 HydrophobicContact CB-CD1 4.34Å; Q344-Y351 HydrophobicContact CB-CE1 4.39Å; Q344-Y351 HydrophobicContact CG-CD1 3.54Å; Q344-Y351 HydrophobicContact CG-CE1 3.17Å; Q344-Y351 HydrophobicContact CG-CE2 4.49Å; Q344-Y351 HydrophobicContact CG-CG 4.34Å; Q344-Y351 PolarHBondContact NE2-OH 2.85Å
345	T	98.9	Very high	98.7	Very high	9 Å²	9	40.6 Å²	40.6	6%	0.055	22%	0.219	C	C	.	.			trans	-73.2	-174.6	166.3	69.4	0	0	0	0	111	I329 I337 V339 I347 I350	I329-T345 HydrophobicContact CG2-CG2 4.49Å; I337-T345 HydrophobicContact CG2-CG2 3.61Å; V339-T345 HydrophobicContact CG1-CG2 4.34Å; T345-I347 PolarHBondContact O-N 2.94Å; T345-I347 VanDerWaalsContact O-N 3.07Å; T345-I347 PolarHBondContact OG1-N 3.11Å; T345-I347 VanDerWaalsContact OG1-N 3.16Å; T345-I347 PolarHBondContact OG1-O 3.21Å; T345-I350 WeakPolarHBondContact CB-O 3.47Å; T345-I350 HydrophobicContact CG2-CG2 4.26Å; T345-I350 WeakPolarHBondContact CG2-O 3.37Å; T345-I350 PolarHBondContact N-O 3.13Å; T345-I350 PolarHBondContact OG1-O 3.31Å
346	K	98.4	Very high	98.8	Very high	127 Å²	127	39.5 Å²	39.5	55%	0.552	21%	0.207	S	C	*	.	S	Bend	trans	-59.2	-14.7	169.9	77.1	-166.4	-64.7	-172.4	0	114	G328 I329 E330	G328-K346 WeakPolarHBondContact O-CD 3.46Å; G328-K346 WeakPolarHBondContact O-CE 3.21Å; G328-K346 PolarHBondContact O-NZ 2.89Å; I329-K346 HydrophobicContact CG1-CD 4.46Å; I329-K346 HydrophobicContact CG1-CG 4.33Å; E330-K346 IonicContact OE1-NZ 3.9Å; E330-K346 PolarHBondContact OE1-NZ 2.78Å
347	I	98.7	Very high	98.8	Very high	28 Å²	28	37.1 Å²	37.1	14%	0.144	20%	0.199	C	C	.	.	S	Bend	trans	-102.6	110.8	171.7	-59.5	-173.3	0	0	0	108	K159 L327 I329 T345 N349 I350	K159-I347 HydrophobicContact CD-CG2 4.42Å; K159-I347 HydrophobicContact CG-CG2 3.96Å; L327-I347 HydrophobicContact CB-CD1 3.99Å; L327-I347 HydrophobicContact CD2-CD1 4.26Å; I329-I347 HydrophobicContact CD1-CD1 4.13Å; I329-I347 HydrophobicContact CD1-CG1 4.38Å; I329-I347 HydrophobicContact CG1-CD1 4.17Å; I329-I347 HydrophobicContact CG1-CG1 4.35Å; T345-I347 PolarHBondContact O-N 2.94Å; T345-I347 VanDerWaalsContact O-N 3.07Å; T345-I347 PolarHBondContact OG1-N 3.11Å; T345-I347 VanDerWaalsContact OG1-N 3.16Å; T345-I347 PolarHBondContact OG1-O 3.21Å; I347-N349 PolarHBondContact O-N 3.2Å; I347-I350 HydrophobicContact CB-CB 4.28Å; I347-I350 HydrophobicContact CB-CD1 4.16Å; I347-I350 HydrophobicContact CB-CG1 4.22Å; I347-I350 HydrophobicContact CD1-CD1 4.18Å; I347-I350 HydrophobicContact CG2-CB 4.41Å; I347-I350 HydrophobicContact CG2-CD1 3.88Å; I347-I350 HydrophobicContact CG2-CG1 3.86Å; I347-I350 PolarHBondContact O-N 3.03Å; I347-I350 VanDerWaalsContact O-O 3.1Å
348	P	98.6	Very high	98.8	Very high	84 Å²	84	39.5 Å²	39.5	55%	0.545	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-16	-163.9	-29.3	36.1	0	0	0	118.1	Q344	Q344-P348 PolarHBondContact NE2-O 3.04Å
349	N	98.8	Very high	98.7	Very high	18 Å²	18	38.1 Å²	38.1	10%	0.096	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	6.3	176.3	73.5	-63.7	0	0	0	113.4	K159 N160 K177 N178 I179 I347	K159-N349 WeakPolarHBondContact CE-OD1 3.3Å; K159-N349 WeakPolarHBondContact CG-OD1 3.21Å; K159-N349 PolarHBondContact O-ND2 3.17Å; N160-N349 PolarHBondContact ND2-ND2 3.49Å; K177-N349 PolarHBondContact O-ND2 3.16Å; N178-N349 WeakPolarHBondContact CA-O 3.32Å; I179-N349 PolarHBondContact N-O 2.93Å; I347-N349 PolarHBondContact O-N 3.2Å
350	I	98.9	Very high	98.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	123.5	172.3	-55.4	-177	0	0	0	107.8	I156 I179 I181 L327 I329 T345 I347	I156-I350 HydrophobicContact CD1-CG2 4.23Å; I156-I350 HydrophobicContact CG2-CD1 4.41Å; I179-I350 HydrophobicContact CB-CG1 4.27Å; I179-I350 HydrophobicContact CB-CG2 4.39Å; I179-I350 HydrophobicContact CD1-CD1 4.4Å; I179-I350 HydrophobicContact CD1-CG1 4.35Å; I179-I350 CarbonylContact O-C 3.57Å; I179-I350 WeakPolarHBondContact O-CA 3.48Å; I181-I350 HydrophobicContact CD1-CG2 3.82Å; I181-I350 HydrophobicContact CG1-CG2 4.4Å; L327-I350 HydrophobicContact CD1-CD1 4.03Å; I329-I350 HydrophobicContact CD1-CD1 4.34Å; I329-I350 HydrophobicContact CD1-CG2 4.24Å; T345-I350 WeakPolarHBondContact CB-O 3.47Å; T345-I350 HydrophobicContact CG2-CG2 4.26Å; T345-I350 WeakPolarHBondContact CG2-O 3.37Å; T345-I350 PolarHBondContact N-O 3.13Å; T345-I350 PolarHBondContact OG1-O 3.31Å; I347-I350 HydrophobicContact CB-CB 4.28Å; I347-I350 HydrophobicContact CB-CD1 4.16Å; I347-I350 HydrophobicContact CB-CG1 4.22Å; I347-I350 HydrophobicContact CD1-CD1 4.18Å; I347-I350 HydrophobicContact CG2-CB 4.41Å; I347-I350 HydrophobicContact CG2-CD1 3.88Å; I347-I350 HydrophobicContact CG2-CG1 3.86Å; I347-I350 PolarHBondContact O-N 3.03Å; I347-I350 VanDerWaalsContact O-O 3.1Å
351	Y	98.9	Very high	98.7	Very high	15 Å²	15	37.4 Å²	37.4	6%	0.059	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	159.7	-172.1	-60.1	-107.2	0	0	0	110.4	N178 I179 I181 R342 F343 Q344 C373 M377	N178-Y351 HydrophobicContact CB-CE2 4.19Å; I179-Y351 PolarHBondContact O-N 3.01Å; I181-Y351 WeakPolarHBondContact CB-O 3.45Å; I181-Y351 WeakPolarHBondContact CG1-O 3.35Å; I181-Y351 PolarHBondContact N-O 2.96Å; R342-Y351 WeakPolarHBondContact O-CD1 3.3Å; F343-Y351 CarbonylContact O-C 3.58Å; F343-Y351 WeakPolarHBondContact O-CA 3.38Å; F343-Y351 WeakPolarHBondContact O-CB 3.4Å; Q344-Y351 HydrophobicContact CB-CD1 4.34Å; Q344-Y351 HydrophobicContact CB-CE1 4.39Å; Q344-Y351 HydrophobicContact CG-CD1 3.54Å; Q344-Y351 HydrophobicContact CG-CE1 3.17Å; Q344-Y351 HydrophobicContact CG-CE2 4.49Å; Q344-Y351 HydrophobicContact CG-CG 4.34Å; Q344-Y351 PolarHBondContact NE2-OH 2.85Å; Y351-C373 VanDerWaalsContact CD1-SG 3.55Å; Y351-M377 HydrophobicContact CD1-CE 3.96Å; Y351-M377 HydrophobicContact CD2-CE 3.64Å; Y351-M377 HydrophobicContact CD2-SD 4.36Å; Y351-M377 HydrophobicContact CE1-CE 4.2Å; Y351-M377 HydrophobicContact CE1-CG 3.98Å; Y351-M377 HydrophobicContact CE2-CE 3.92Å; Y351-M377 HydrophobicContact CE2-CG 4.07Å; Y351-M377 HydrophobicContact CE2-SD 4.09Å; Y351-M377 HydrophobicContact CG-CE 3.69Å
352	A	98.9	Very high	98.7	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	142.8	174.1	0	0	0	0	0	112.8	I181 I337 V339 F343 V356 V357	I181-A352 HydrophobicContact CB-CB 4Å; I181-A352 WeakPolarHBondContact O-CA 3.42Å; I337-A352 HydrophobicContact CB-CB 4.04Å; I337-A352 HydrophobicContact CD1-CB 3.93Å; I337-A352 HydrophobicContact CG2-CB 3.87Å; V339-A352 HydrophobicContact CG1-CB 3.88Å; F343-A352 PolarHBondContact O-N 2.76Å; A352-V356 HydrophobicContact CB-CG1 4.02Å; A352-V357 HydrophobicContact CB-CG1 3.53Å; A352-V357 WeakPolarHBondContact O-CG1 3.14Å
353	I	98.9	Very high	98.7	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.01	18%	0.183	C	C	.	.			trans	-143.5	162.5	-173.1	57.5	169.3	0	0	0	113.3	G52 A56 L180 I181 A182 F343 V356 E369 C373	G52-I353 WeakPolarHBondContact O-CD1 3.46Å; A56-I353 HydrophobicContact CB-CD1 4.2Å; L180-I353 HydrophobicContact CD1-CD1 4.05Å; L180-I353 HydrophobicContact CD1-CG1 3.94Å; L180-I353 HydrophobicContact CD1-CG2 3.95Å; L180-I353 HydrophobicContact CD2-CD1 3.96Å; L180-I353 HydrophobicContact CG-CD1 4.11Å; L180-I353 HydrophobicContact CG-CG1 4.32Å; I181-I353 PolarHBondContact O-N 2.66Å; A182-I353 HydrophobicContact CB-CD1 4.12Å; A182-I353 HydrophobicContact CB-CG1 3.97Å; F343-I353 HydrophobicContact CB-CG2 4.16Å; F343-I353 HydrophobicContact CD1-CG2 4.14Å; F343-I353 HydrophobicContact CG-CG2 4.14Å; I353-V356 WeakPolarHBondContact O-CG1 3.31Å; I353-E369 HydrophobicContact CB-CB 4.15Å; I353-E369 HydrophobicContact CG2-CB 4.06Å; I353-C373 HydrophobicContact CG2-CB 4Å
354	G	98.8	Very high	98.7	Very high	5 Å²	5	33.4 Å²	33.4	5%	0.052	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	74.6	-134.9	172.1	0	0	0	0	0	114	V356 V357 K365 A366 E369	G354-V356 PolarHBondContact O-N 2.79Å; G354-V357 WeakPolarHBondContact O-CG2 3.23Å; G354-V357 PolarHBondContact O-N 2.88Å; G354-K365 PolarHBondContact O-NZ 2.98Å; G354-A366 VanDerWaalsContact CA-CB 3.46Å; G354-E369 WeakPolarHBondContact CA-OE2 3.28Å; G354-E369 PolarHBondContact N-OE2 3.39Å
355	D	98.8	Very high	98.7	Very high	28 Å²	28	31.5 Å²	31.5	15%	0.15	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-67.7	-9.5	-175.6	-99.9	31.9	0	0	0	114.8	S185 M361	S185-D355 VanDerWaalsContact CB-OD2 3.23Å; S185-D355 WeakPolarHBondContact CB-OD2 3.44Å; S185-D355 PolarHBondContact OG-OD2 3.13Å; D355-M361 HydrophobicContact CB-CE 4.05Å; D355-M361 WeakPolarHBondContact OD1-CA 3.38Å; D355-M361 VanDerWaalsContact OD1-CB 3.31Å; D355-M361 WeakPolarHBondContact OD1-CB 3.5Å; D355-M361 WeakPolarHBondContact OD2-CE 3.18Å
356	V	98.9	Very high	98.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-93.9	-10.1	-178.9	87.4	0	0	0	0	113.3	I181 P317 T319 R336 I337 A352 I353 G354	I181-V356 HydrophobicContact CG2-CG1 4.23Å; P317-V356 HydrophobicContact CB-CG2 4.07Å; T319-V356 HydrophobicContact CG2-CG2 3.49Å; T319-V356 VanDerWaalsContact CG2-CG2 3.49Å; R336-V356 CarbonylContact C-O 3.6Å; R336-V356 VanDerWaalsContact CA-O 3.32Å; R336-V356 WeakPolarHBondContact CA-O 3.4Å; I337-V356 HydrophobicContact CD1-CG1 4.1Å; I337-V356 HydrophobicContact CD1-CG2 3.99Å; I337-V356 HydrophobicContact CG1-CG2 4.22Å; I337-V356 PolarHBondContact N-O 2.85Å; A352-V356 HydrophobicContact CB-CG1 4.02Å; I353-V356 WeakPolarHBondContact O-CG1 3.31Å; G354-V356 PolarHBondContact O-N 2.79Å
357	V	98.9	Very high	98.7	Very high	5 Å²	5	27.6 Å²	27.6	3%	0.03	17%	0.17	C	C	.	.	S	Bend	trans	-116.3	-167.5	-179.1	-61.4	0	0	0	0	111.6	R336 I337 V339 A352 G354	R336-V357 VanDerWaalsContact CD-O 3.25Å; R336-V357 WeakPolarHBondContact CD-O 3.3Å; I337-V357 HydrophobicContact CB-CG1 4.37Å; V339-V357 HydrophobicContact CG1-CG1 3.98Å; V339-V357 HydrophobicContact CG2-CB 4.26Å; V339-V357 HydrophobicContact CG2-CG1 4.11Å; A352-V357 HydrophobicContact CB-CG1 3.53Å; A352-V357 WeakPolarHBondContact O-CG1 3.14Å; G354-V357 WeakPolarHBondContact O-CG2 3.23Å; G354-V357 PolarHBondContact O-N 2.88Å
358	A	98.6	Very high	98.7	Very high	51 Å²	51	29.7 Å²	29.7	42%	0.421	18%	0.182	S	C	.	.	S	Bend	trans	-74.2	175.7	176.7	0	0	0	0	0	113.1	K365	A358-K365 WeakPolarHBondContact O-CE 3.3Å; A358-K365 PolarHBondContact O-NZ 3.13Å
359	G	98	Very high	98.7	Very high	41 Å²	41	25.8 Å²	25.8	42%	0.423	16%	0.156	S	C	.	.	S	Bend	trans	88.7	-172	-178.5	0	0	0	0	0	114.5
360	P	97.9	Very high	98.7	Very high	42 Å²	42	24.9 Å²	24.9	27%	0.273	15%	0.152	S	C	.	.			trans	-64.6	139.7	176.8	-22.1	33.6	0	0	0	112.9	L362 K365 V389	P360-L362 VanDerWaalsContact C-N 3.32Å; P360-L362 HydrophobicContact CB-CB 4.46Å; P360-L362 HydrophobicContact CB-CD1 3.69Å; P360-L362 HydrophobicContact CB-CG 3.89Å; P360-L362 PolarHBondContact O-N 3.35Å; P360-L362 VanDerWaalsContact O-N 3.14Å; P360-K365 HydrophobicContact CB-CG 4.42Å; P360-K365 WeakPolarHBondContact O-CD 3.47Å; P360-K365 WeakPolarHBondContact O-CE 3.44Å; P360-V389 HydrophobicContact CG-CG1 4.43Å
361	M	98.6	Very high	98.7	Very high	66 Å²	66	27.1 Å²	27.1	33%	0.325	16%	0.163	S	C	.	.			trans	-87.9	72.2	174.3	-65.6	-179.3	76.6	0	0	109.8	S185 R315 D355	S185-M361 VanDerWaalsContact CB-CE 3.49Å; R315-M361 HydrophobicContact CB-CE 3.79Å; R315-M361 HydrophobicContact CB-SD 4.49Å; D355-M361 HydrophobicContact CB-CE 4.05Å; D355-M361 WeakPolarHBondContact OD1-CA 3.38Å; D355-M361 VanDerWaalsContact OD1-CB 3.31Å; D355-M361 WeakPolarHBondContact OD1-CB 3.5Å; D355-M361 WeakPolarHBondContact OD2-CE 3.18Å
362	L	98.5	Very high	98.7	Very high	48 Å²	48	27.5 Å²	27.5	25%	0.251	17%	0.166	S	C	.	.			trans	-130.2	151.1	-172.7	-62.9	174.5	0	0	0	110.9	P360 K365 A366 V389	P360-L362 VanDerWaalsContact C-N 3.32Å; P360-L362 HydrophobicContact CB-CB 4.46Å; P360-L362 HydrophobicContact CB-CD1 3.69Å; P360-L362 HydrophobicContact CB-CG 3.89Å; P360-L362 PolarHBondContact O-N 3.35Å; P360-L362 VanDerWaalsContact O-N 3.14Å; L362-K365 HydrophobicContact CB-CB 4.04Å; L362-A366 PolarHBondContact O-N 2.87Å; L362-V389 HydrophobicContact CD1-CG1 4.14Å
363	A	98.4	Very high	98.7	Very high	26 Å²	26	27.5 Å²	27.5	22%	0.215	17%	0.166	C	C	.	.	H	α-helix	trans	-67.2	-53.4	-172.8	0	0	0	0	0	112.7	P51 C80 K365 A366 E367	P51-A363 HydrophobicContact CB-CB 4.22Å; P51-A363 HydrophobicContact CG-CB 3.99Å; C80-A363 HydrophobicContact CB-CB 4.49Å; C80-A363 VanDerWaalsContact SG-CB 3.54Å; A363-K365 PolarHBondContact O-N 2.98Å; A363-A366 WeakPolarHBondContact O-CB 3.49Å; A363-A366 PolarHBondContact O-N 2.9Å; A363-E367 WeakPolarHBondContact O-CG 3.43Å; A363-E367 PolarHBondContact O-N 2.77Å
364	H	98.6	Very high	98.7	Very high	65 Å²	65	27.4 Å²	27.4	30%	0.301	17%	0.166	S	C	.	.	H	α-helix	trans	-59.8	-44.5	178.2	51.6	-66.4	0	0	0	112	A366 E367 D368 P390	H364-A366 VanDerWaalsContact C-N 3.25Å; H364-A366 PolarHBondContact O-N 2.87Å; H364-E367 WeakPolarHBondContact O-CA 3.48Å; H364-E367 PolarHBondContact O-N 2.81Å; H364-D368 PolarHBondContact O-N 3.18Å; H364-P390 PolarHBondContact CE1-O 3.33Å; H364-P390 VanDerWaalsContact CE1-O 3.31Å; H364-P390 PolarHBondContact NE2-O 2.83Å
365	K	98.8	Very high	98.7	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	18%	0.177	C	C	.	.	H	α-helix	trans	-49.7	-46.4	171	179.3	-79.4	-162.5	-174.1	0	111.8	G354 A358 P360 L362 A363 E369 Y386 V389	G354-K365 PolarHBondContact O-NZ 2.98Å; A358-K365 WeakPolarHBondContact O-CE 3.3Å; A358-K365 PolarHBondContact O-NZ 3.13Å; P360-K365 HydrophobicContact CB-CG 4.42Å; P360-K365 WeakPolarHBondContact O-CD 3.47Å; P360-K365 WeakPolarHBondContact O-CE 3.44Å; L362-K365 HydrophobicContact CB-CB 4.04Å; A363-K365 PolarHBondContact O-N 2.98Å; K365-E369 HydrophobicContact CD-CG 4.3Å; K365-E369 WeakPolarHBondContact CD-OE2 3.43Å; K365-E369 VanDerWaalsContact CE-CD 3.47Å; K365-E369 WeakPolarHBondContact CE-OE1 3.26Å; K365-E369 WeakPolarHBondContact CE-OE2 3.46Å; K365-E369 IonicContact NZ-OE1 2.6Å; K365-E369 PolarHBondContact NZ-OE1 3.42Å; K365-E369 IonicContact NZ-OE2 2.82Å; K365-E369 PolarHBondContact NZ-OE2 3.41Å; K365-E369 WeakPolarHBondContact O-CB 3.33Å; K365-E369 VanDerWaalsContact O-CG 3.28Å; K365-E369 WeakPolarHBondContact O-CG 3.42Å; K365-E369 PolarHBondContact O-N 2.72Å; K365-E369 VanDerWaalsContact O-N 3.09Å; K365-Y386 HydrophobicContact CG-CD1 4.5Å; K365-Y386 HydrophobicContact CG-CE1 4.32Å; K365-V389 HydrophobicContact CB-CG1 4.15Å
366	A	98.9	Very high	98.7	Very high	7 Å²	7	29.2 Å²	29.2	6%	0.058	17%	0.174	C	C	.	.	H	α-helix	trans	-69.8	-36.2	178.5	0	0	0	0	0	112.6	P51 G52 G354 L362 A363 H364 G370	P51-A366 HydrophobicContact CB-CB 4.48Å; G52-A366 VanDerWaalsContact CA-C 3.41Å; G52-A366 WeakPolarHBondContact CA-O 3.48Å; G354-A366 VanDerWaalsContact CA-CB 3.46Å; L362-A366 PolarHBondContact O-N 2.87Å; A363-A366 WeakPolarHBondContact O-CB 3.49Å; A363-A366 PolarHBondContact O-N 2.9Å; H364-A366 VanDerWaalsContact C-N 3.25Å; H364-A366 PolarHBondContact O-N 2.87Å; A366-G370 PolarHBondContact O-N 3.48Å
367	E	98.9	Very high	98.7	Very high	47 Å²	47	30.5 Å²	30.5	22%	0.22	18%	0.181	C	C	.	.	H	α-helix	trans	-65	-47.1	176.9	-69.3	173.6	147.2	0	0	111.2	P51 Y54 V55 A363 H364 G370 I371	P51-E367 VanDerWaalsContact C-CG 3.43Å; P51-E367 HydrophobicContact CB-CG 3.51Å; Y54-E367 PolarHBondContact OH-OE1 3.28Å; V55-E367 HydrophobicContact CB-CB 4.36Å; V55-E367 HydrophobicContact CB-CG 4.22Å; V55-E367 HydrophobicContact CG1-CB 4.42Å; V55-E367 HydrophobicContact CG2-CB 4.16Å; V55-E367 HydrophobicContact CG2-CG 3.67Å; A363-E367 WeakPolarHBondContact O-CG 3.43Å; A363-E367 PolarHBondContact O-N 2.77Å; H364-E367 WeakPolarHBondContact O-CA 3.48Å; H364-E367 PolarHBondContact O-N 2.81Å; E367-G370 WeakPolarHBondContact O-CA 3.42Å; E367-G370 PolarHBondContact O-N 3.49Å; E367-G370 VanDerWaalsContact O-N 3.14Å; E367-I371 WeakPolarHBondContact O-CG1 3.32Å; E367-I371 PolarHBondContact O-N 2.99Å
368	D	98.9	Very high	98.7	Very high	73 Å²	73	33 Å²	33	39%	0.39	20%	0.201	S	C	.	.	H	α-helix	trans	-63.5	-49	176.8	-66.8	-29.8	0	0	0	111.9	H364 G370 I371 I372 I384	H364-D368 PolarHBondContact O-N 3.18Å; D368-G370 PolarHBondContact O-N 3.19Å; D368-I371 PolarHBondContact O-N 2.96Å; D368-I371 VanDerWaalsContact O-N 3.1Å; D368-I372 WeakPolarHBondContact O-CG1 3.38Å; D368-I372 PolarHBondContact O-N 3.39Å; D368-I384 HydrophobicContact CB-CD1 4.04Å
369	E	98.9	Very high	98.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-54	-39	171.9	-77	-177.7	150.1	0	0	111.7	F343 I353 G354 K365 C373 I384 Y386	F343-E369 HydrophobicContact CD1-CG 4.49Å; F343-E369 HydrophobicContact CE1-CB 4.15Å; F343-E369 HydrophobicContact CE1-CG 3.6Å; F343-E369 WeakPolarHBondContact CE1-OE1 3.31Å; F343-E369 HydrophobicContact CZ-CB 4.21Å; F343-E369 HydrophobicContact CZ-CG 3.69Å; I353-E369 HydrophobicContact CB-CB 4.15Å; I353-E369 HydrophobicContact CG2-CB 4.06Å; G354-E369 WeakPolarHBondContact CA-OE2 3.28Å; G354-E369 PolarHBondContact N-OE2 3.39Å; K365-E369 HydrophobicContact CD-CG 4.3Å; K365-E369 WeakPolarHBondContact CD-OE2 3.43Å; K365-E369 VanDerWaalsContact CE-CD 3.47Å; K365-E369 WeakPolarHBondContact CE-OE1 3.26Å; K365-E369 WeakPolarHBondContact CE-OE2 3.46Å; K365-E369 IonicContact NZ-OE1 2.6Å; K365-E369 PolarHBondContact NZ-OE1 3.42Å; K365-E369 IonicContact NZ-OE2 2.82Å; K365-E369 PolarHBondContact NZ-OE2 3.41Å; K365-E369 WeakPolarHBondContact O-CB 3.33Å; K365-E369 VanDerWaalsContact O-CG 3.28Å; K365-E369 WeakPolarHBondContact O-CG 3.42Å; K365-E369 PolarHBondContact O-N 2.72Å; K365-E369 VanDerWaalsContact O-N 3.09Å; E369-C373 WeakPolarHBondContact O-CB 3.37Å; E369-C373 PolarHBondContact O-N 3.09Å; E369-I384 HydrophobicContact CG-CD1 4.31Å; E369-Y386 PolarHBondContact OE1-OH 3.15Å; E369-Y386 VanDerWaalsContact OE1-OH 3.08Å
370	G	98.9	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-64.3	-43.4	176.5	0	0	0	0	0	113.4	A56 A366 E367 D368 V374	A56-G370 WeakPolarHBondContact CB-O 3.33Å; A366-G370 PolarHBondContact O-N 3.48Å; E367-G370 WeakPolarHBondContact O-CA 3.42Å; E367-G370 PolarHBondContact O-N 3.49Å; E367-G370 VanDerWaalsContact O-N 3.14Å; D368-G370 PolarHBondContact O-N 3.19Å; G370-V374 WeakPolarHBondContact O-CG2 3.35Å; G370-V374 PolarHBondContact O-N 2.95Å
371	I	98.9	Very high	98.7	Very high	47 Å²	47	35 Å²	35	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-57.1	176.8	-68	166.6	0	0	0	110.3	V55 K59 E367 D368 C373 V374 E375	V55-I371 HydrophobicContact CG1-CD1 3.85Å; V55-I371 HydrophobicContact CG1-CG1 3.58Å; K59-I371 HydrophobicContact CD-CG2 4.17Å; K59-I371 HydrophobicContact CG-CG1 4.49Å; K59-I371 HydrophobicContact CG-CG2 4.24Å; E367-I371 WeakPolarHBondContact O-CG1 3.32Å; E367-I371 PolarHBondContact O-N 2.99Å; D368-I371 PolarHBondContact O-N 2.96Å; D368-I371 VanDerWaalsContact O-N 3.1Å; I371-C373 VanDerWaalsContact C-N 3.29Å; I371-C373 PolarHBondContact O-N 3.42Å; I371-V374 WeakPolarHBondContact O-CG2 3.4Å; I371-V374 PolarHBondContact O-N 3.44Å; I371-E375 WeakPolarHBondContact O-CG 3.23Å; I371-E375 PolarHBondContact O-N 3.11Å
372	I	98.9	Very high	98.7	Very high	23 Å²	23	33.2 Å²	33.2	12%	0.118	22%	0.22	C	C	.	.	H	α-helix	trans	-70.3	-26.3	-173.6	69	-175.1	0	0	0	112.2	F343 D368 G376 V382 H383 I384	F343-I372 HydrophobicContact CD2-CG1 4.49Å; F343-I372 HydrophobicContact CE2-CD1 3.71Å; F343-I372 HydrophobicContact CE2-CG1 3.77Å; F343-I372 HydrophobicContact CZ-CD1 4.1Å; F343-I372 HydrophobicContact CZ-CG1 4.5Å; D368-I372 WeakPolarHBondContact O-CG1 3.38Å; D368-I372 PolarHBondContact O-N 3.39Å; I372-G376 PolarHBondContact O-N 3.45Å; I372-V382 HydrophobicContact CB-CG1 4.21Å; I372-V382 HydrophobicContact CD1-CG1 4Å; I372-V382 HydrophobicContact CG1-CG1 3.91Å; I372-H383 WeakPolarHBondContact CD1-O 3.3Å; I372-I384 HydrophobicContact CD1-CB 3.72Å; I372-I384 HydrophobicContact CD1-CG2 3.73Å
373	C	98.9	Very high	98.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-63.7	-48.4	172.7	-179.6	0	0	0	0	111.3	F343 Y351 I353 E369 I371 G376 M377	F343-C373 HydrophobicContact CB-CB 4.2Å; F343-C373 HydrophobicContact CD2-CB 4.03Å; F343-C373 HydrophobicContact CG-CB 4.32Å; Y351-C373 VanDerWaalsContact CD1-SG 3.55Å; I353-C373 HydrophobicContact CG2-CB 4Å; E369-C373 WeakPolarHBondContact O-CB 3.37Å; E369-C373 PolarHBondContact O-N 3.09Å; I371-C373 VanDerWaalsContact C-N 3.29Å; I371-C373 PolarHBondContact O-N 3.42Å; C373-G376 CarbonylContact O-C 3.09Å; C373-G376 WeakPolarHBondContact O-CA 3.27Å; C373-G376 PolarHBondContact O-N 3.14Å; C373-G376 VanDerWaalsContact O-N 3.16Å; C373-M377 WeakPolarHBondContact O-CG 3.23Å; C373-M377 PolarHBondContact O-N 3.02Å; C373-M377 VanDerWaalsContact SG-CE 3.52Å
374	V	98.9	Very high	98.7	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-77.3	-28.1	-178.5	-57.1	0	0	0	0	113	A56 K59 A60 L63 L180 G370 I371 G376 M377 A378	A56-V374 HydrophobicContact CB-CG1 4.01Å; K59-V374 HydrophobicContact CB-CG2 3.77Å; K59-V374 HydrophobicContact CG-CG2 3.49Å; K59-V374 VanDerWaalsContact CG-CG2 3.49Å; A60-V374 HydrophobicContact CB-CB 4.12Å; A60-V374 HydrophobicContact CB-CG1 4.08Å; A60-V374 HydrophobicContact CB-CG2 4.34Å; L63-V374 HydrophobicContact CD1-CB 4.47Å; L63-V374 HydrophobicContact CD1-CG2 4.02Å; L180-V374 HydrophobicContact CD2-CG1 3.93Å; G370-V374 WeakPolarHBondContact O-CG2 3.35Å; G370-V374 PolarHBondContact O-N 2.95Å; I371-V374 WeakPolarHBondContact O-CG2 3.4Å; I371-V374 PolarHBondContact O-N 3.44Å; V374-G376 VanDerWaalsContact C-N 3.3Å; V374-M377 HydrophobicContact CG1-CE 4.04Å; V374-M377 HydrophobicContact CG1-SD 4.39Å; V374-M377 WeakPolarHBondContact O-CB 3.34Å; V374-M377 PolarHBondContact O-N 3.42Å; V374-A378 PolarHBondContact O-N 2.89Å; V374-A378 VanDerWaalsContact O-N 3.07Å
375	E	98.9	Very high	98.7	Very high	61 Å²	61	38 Å²	38	29%	0.285	24%	0.238	S	C	.	.	H	α-helix	trans	-63.2	-39.8	164.1	-71.2	-179	148.3	0	0	111	K59 L63 I371 M377 A378 G379 G380	K59-E375 WeakPolarHBondContact CE-OE1 3.49Å; K59-E375 IonicContact NZ-OE1 3.84Å; K59-E375 PolarHBondContact NZ-OE1 3.27Å; L63-E375 HydrophobicContact CD1-CG 3.9Å; I371-E375 WeakPolarHBondContact O-CG 3.23Å; I371-E375 PolarHBondContact O-N 3.11Å; E375-M377 VanDerWaalsContact C-N 3.32Å; E375-M377 PolarHBondContact O-N 3.33Å; E375-A378 CarbonylContact O-C 3.39Å; E375-A378 WeakPolarHBondContact O-CA 3.29Å; E375-A378 WeakPolarHBondContact O-CB 3.42Å; E375-A378 PolarHBondContact O-N 3.24Å; E375-G379 PolarHBondContact O-N 3.1Å; E375-G380 WeakPolarHBondContact O-CA 3.12Å; E375-G380 PolarHBondContact O-N 2.92Å
376	G	98.8	Very high	98.7	Very high	9 Å²	9	42.3 Å²	42.3	9%	0.093	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-36.1	171.4	0	0	0	0	0	113.8	R342 I372 C373 V374 A378 G379	R342-G376 PolarHBondContact NH1-O 2.79Å; I372-G376 PolarHBondContact O-N 3.45Å; C373-G376 CarbonylContact O-C 3.09Å; C373-G376 WeakPolarHBondContact O-CA 3.27Å; C373-G376 PolarHBondContact O-N 3.14Å; C373-G376 VanDerWaalsContact O-N 3.16Å; V374-G376 VanDerWaalsContact C-N 3.3Å; G376-A378 VanDerWaalsContact C-N 3.34Å; G376-G379 PolarHBondContact O-N 3.33Å
377	M	98.8	Very high	98.7	Very high	28 Å²	28	44.1 Å²	44.1	14%	0.138	26%	0.264	C	S	.	.	H	α-helix	trans	-67.8	-32.7	171.5	-62.5	-176.9	-152.8	0	0	112.3	V44 F65 N178 L180 Y351 C373 V374 E375 G379	V44-M377 HydrophobicContact CG1-SD 4.36Å; V44-M377 HydrophobicContact CG2-SD 3.99Å; F65-M377 HydrophobicContact CE2-CB 4.19Å; F65-M377 HydrophobicContact CZ-CB 4.12Å; N178-M377 HydrophobicContact CB-SD 3.9Å; L180-M377 HydrophobicContact CB-CE 4.33Å; L180-M377 HydrophobicContact CD1-CE 4.28Å; L180-M377 HydrophobicContact CD2-CE 4.37Å; Y351-M377 HydrophobicContact CD1-CE 3.96Å; Y351-M377 HydrophobicContact CD2-CE 3.64Å; Y351-M377 HydrophobicContact CD2-SD 4.36Å; Y351-M377 HydrophobicContact CE1-CE 4.2Å; Y351-M377 HydrophobicContact CE1-CG 3.98Å; Y351-M377 HydrophobicContact CE2-CE 3.92Å; Y351-M377 HydrophobicContact CE2-CG 4.07Å; Y351-M377 HydrophobicContact CE2-SD 4.09Å; Y351-M377 HydrophobicContact CG-CE 3.69Å; C373-M377 WeakPolarHBondContact O-CG 3.23Å; C373-M377 PolarHBondContact O-N 3.02Å; C373-M377 VanDerWaalsContact SG-CE 3.52Å; V374-M377 HydrophobicContact CG1-CE 4.04Å; V374-M377 HydrophobicContact CG1-SD 4.39Å; V374-M377 WeakPolarHBondContact O-CB 3.34Å; V374-M377 PolarHBondContact O-N 3.42Å; E375-M377 VanDerWaalsContact C-N 3.32Å; E375-M377 PolarHBondContact O-N 3.33Å; M377-G379 PolarHBondContact O-N 3.17Å
378	A	98.7	Very high	98.7	Very high	56 Å²	56	42.1 Å²	42.1	46%	0.463	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	6.1	174	0	0	0	0	0	113.7	L63 F65 V374 E375 G376	L63-A378 HydrophobicContact CD1-CB 4.21Å; F65-A378 HydrophobicContact CE2-CB 4.12Å; F65-A378 HydrophobicContact CZ-CB 4.11Å; V374-A378 PolarHBondContact O-N 2.89Å; V374-A378 VanDerWaalsContact O-N 3.07Å; E375-A378 CarbonylContact O-C 3.39Å; E375-A378 WeakPolarHBondContact O-CA 3.29Å; E375-A378 WeakPolarHBondContact O-CB 3.42Å; E375-A378 PolarHBondContact O-N 3.24Å; G376-A378 VanDerWaalsContact C-N 3.34Å
379	G	98.4	Very high	98.7	Very high	64 Å²	64	39.4 Å²	39.4	66%	0.66	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	90.7	3.5	178.9	0	0	0	0	0	115.1	E375 G376 M377	E375-G379 PolarHBondContact O-N 3.1Å; G376-G379 PolarHBondContact O-N 3.33Å; M377-G379 PolarHBondContact O-N 3.17Å
380	G	98.4	Very high	98.7	Very high	29 Å²	29	40.2 Å²	40.2	30%	0.299	25%	0.247	S	C	.	.			trans	-66.3	174	178.5	0	0	0	0	0	114.5	R342 E375	R342-G380 PolarHBondContact NH1-O 3.34Å; R342-G380 PolarHBondContact NH2-O 3.07Å; E375-G380 WeakPolarHBondContact O-CA 3.12Å; E375-G380 PolarHBondContact O-N 2.92Å
381	A	98.1	Very high	98.7	Very high	84 Å²	84	41.5 Å²	41.5	69%	0.694	26%	0.255	S	S	*	.			trans	-69.3	157.8	164.6	0	0	0	0	0	110.4
382	V	98.5	Very high	98.7	Very high	29 Å²	29	40.4 Å²	40.4	18%	0.176	25%	0.251	C	S	.	.			trans	-135.1	115.1	174.3	-173.6	0	0	0	0	107.6	T341 R342 F343 I372	T341-V382 VanDerWaalsContact O-CG1 3.31Å; T341-V382 WeakPolarHBondContact O-CG1 3.37Å; R342-V382 HydrophobicContact CG-CB 4.4Å; R342-V382 HydrophobicContact CG-CG2 4Å; F343-V382 HydrophobicContact CD2-CG1 3.97Å; F343-V382 HydrophobicContact CE2-CG1 3.62Å; I372-V382 HydrophobicContact CB-CG1 4.21Å; I372-V382 HydrophobicContact CD1-CG1 4Å; I372-V382 HydrophobicContact CG1-CG1 3.91Å
383	H	98.4	Very high	98.7	Very high	150 Å²	150	39.3 Å²	39.3	69%	0.694	25%	0.245	S	C	*	.			trans	-150.7	141.9	177.2	-173.9	66.8	0	0	0	109.6	I372	I372-H383 WeakPolarHBondContact CD1-O 3.3Å
384	I	98.4	Very high	98.7	Very high	34 Å²	34	43.6 Å²	43.6	17%	0.174	26%	0.262	C	S	.	.			trans	-154.8	128.9	171.8	180	169.2	0	0	0	106.6	F343 D368 E369 I372 Y386 V389	F343-I384 HydrophobicContact CZ-CG2 4.2Å; D368-I384 HydrophobicContact CB-CD1 4.04Å; E369-I384 HydrophobicContact CG-CD1 4.31Å; I372-I384 HydrophobicContact CD1-CB 3.72Å; I372-I384 HydrophobicContact CD1-CG2 3.73Å; I384-Y386 HydrophobicContact CD1-CD1 4.43Å; I384-Y386 HydrophobicContact CD1-CE1 4Å; I384-Y386 HydrophobicContact CG1-CE1 4.35Å; I384-Y386 HydrophobicContact CG2-CE1 4.08Å; I384-Y386 HydrophobicContact CG2-CE2 4.01Å; I384-V389 HydrophobicContact CD1-CG2 4.49Å
385	D	98.6	Very high	98.7	Very high	55 Å²	55	43.8 Å²	43.8	29%	0.294	26%	0.263	S	S	.	.			trans	-94.9	105.5	171.8	-177.1	15.5	0	0	0	110.4	N387 C388 V389	D385-N387 PolarHBondContact O-N 3.39Å; D385-N387 VanDerWaalsContact O-N 3.11Å; D385-N387 VanDerWaalsContact OD1-CB 3.28Å; D385-N387 WeakPolarHBondContact OD1-CB 3.16Å; D385-N387 PolarHBondContact OD1-N 3.43Å; D385-C388 HydrophobicContact CB-CB 4.3Å; D385-C388 PolarHBondContact O-N 2.97Å; D385-C388 PolarHBondContact OD2-SG 3.01Å; D385-V389 PolarHBondContact O-N 3.03Å
386	Y	98.5	Very high	98.7	Very high	91 Å²	91	43.3 Å²	43.3	36%	0.357	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-12.5	175.9	-59.9	-69.6	0	0	0	113.9	K365 E369 I384 V389	K365-Y386 HydrophobicContact CG-CD1 4.5Å; K365-Y386 HydrophobicContact CG-CE1 4.32Å; E369-Y386 PolarHBondContact OE1-OH 3.15Å; E369-Y386 VanDerWaalsContact OE1-OH 3.08Å; I384-Y386 HydrophobicContact CD1-CD1 4.43Å; I384-Y386 HydrophobicContact CD1-CE1 4Å; I384-Y386 HydrophobicContact CG1-CE1 4.35Å; I384-Y386 HydrophobicContact CG2-CE1 4.08Å; I384-Y386 HydrophobicContact CG2-CE2 4.01Å; Y386-V389 HydrophobicContact CD1-CG2 4.45Å
387	N	98.6	Very high	98.6	Very high	46 Å²	46	43 Å²	43	25%	0.246	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-26.2	170.2	177.7	87.1	0	0	0	112.4	D385 G403 K404	D385-N387 PolarHBondContact O-N 3.39Å; D385-N387 VanDerWaalsContact O-N 3.11Å; D385-N387 VanDerWaalsContact OD1-CB 3.28Å; D385-N387 WeakPolarHBondContact OD1-CB 3.16Å; D385-N387 PolarHBondContact OD1-N 3.43Å; N387-G403 VanDerWaalsContact O-CA 3.29Å; N387-G403 WeakPolarHBondContact O-CA 3.49Å; N387-G403 PolarHBondContact O-N 3.39Å; N387-K404 WeakPolarHBondContact OD1-CD 3.49Å; N387-K404 WeakPolarHBondContact OD1-CE 3.08Å
388	C	98.7	Very high	98.7	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.034	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-4.4	178.2	-64.6	0	0	0	0	113.7	D385 P390 V402 E472	D385-C388 HydrophobicContact CB-CB 4.3Å; D385-C388 PolarHBondContact O-N 2.97Å; D385-C388 PolarHBondContact OD2-SG 3.01Å; C388-P390 VanDerWaalsContact O-CD 3.31Å; C388-P390 WeakPolarHBondContact O-CD 3.22Å; C388-V402 WeakPolarHBondContact O-CG2 3.36Å; C388-E472 HydrophobicContact CB-CG 3.91Å; C388-E472 WeakPolarHBondContact CB-OE1 3.44Å
389	V	98.8	Very high	98.7	Very high	16 Å²	16	41 Å²	41	10%	0.097	24%	0.238	C	C	.	.			trans	-71.7	115.7	174.2	174.2	0	0	0	0	110.6	P360 L362 K365 I384 D385 Y386	P360-V389 HydrophobicContact CG-CG1 4.43Å; L362-V389 HydrophobicContact CD1-CG1 4.14Å; K365-V389 HydrophobicContact CB-CG1 4.15Å; I384-V389 HydrophobicContact CD1-CG2 4.49Å; D385-V389 PolarHBondContact O-N 3.03Å; Y386-V389 HydrophobicContact CD1-CG2 4.45Å
390	P	98.8	Very high	98.7	Very high	18 Å²	18	37.9 Å²	37.9	12%	0.117	21%	0.206	C	C	.	.			trans	-75.6	154.7	-178.7	31.1	-35.7	0	0	0	112.5	H364 C388 W401 V402 V464	H364-P390 PolarHBondContact CE1-O 3.33Å; H364-P390 VanDerWaalsContact CE1-O 3.31Å; H364-P390 PolarHBondContact NE2-O 2.83Å; C388-P390 VanDerWaalsContact O-CD 3.31Å; C388-P390 WeakPolarHBondContact O-CD 3.22Å; P390-W401 WeakPolarHBondContact CA-O 3.37Å; P390-V402 HydrophobicContact CB-CB 4.22Å; P390-V402 HydrophobicContact CB-CG2 4.4Å; P390-V464 HydrophobicContact CB-CG1 3.98Å; P390-V464 HydrophobicContact CB-CG2 3.87Å
391	S	98.9	Very high	98.7	Very high	26 Å²	26	37.4 Å²	37.4	18%	0.182	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	140	172.4	-68.9	0	0	0	0	110.4	A400 W401	S391-A400 CarbonylContact O-C 3.49Å; S391-A400 VanDerWaalsContact O-CA 3.23Å; S391-A400 WeakPolarHBondContact O-CA 3.36Å; S391-W401 PolarHBondContact N-O 3.16Å; S391-W401 PolarHBondContact O-N 2.91Å
392	V	98.9	Very high	98.8	Very high	25 Å²	25	33.5 Å²	33.5	15%	0.152	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	136.6	-175.7	-171.6	0	0	0	0	111.8	Y394 V399 A400 V464	V392-Y394 HydrophobicContact CB-CD2 4.05Å; V392-Y394 HydrophobicContact CB-CE2 3.47Å; V392-Y394 VanDerWaalsContact CB-CE2 3.47Å; V392-Y394 HydrophobicContact CG1-CD1 4.22Å; V392-Y394 HydrophobicContact CG1-CD2 3.6Å; V392-Y394 HydrophobicContact CG1-CE1 4.01Å; V392-Y394 HydrophobicContact CG1-CE2 3.38Å; V392-Y394 HydrophobicContact CG1-CG 4.06Å; V392-V399 CarbonylContact C-O 3.53Å; V392-V399 WeakPolarHBondContact CA-O 3.33Å; V392-A400 HydrophobicContact CB-CB 4.44Å; V392-A400 HydrophobicContact CG1-CB 4.25Å; V392-A400 HydrophobicContact CG2-CB 3.95Å; V392-V464 HydrophobicContact CG2-CG1 3.98Å
393	I	98.9	Very high	98.8	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.5	170.5	-47.3	-176.9	0	0	0	107.5	V223 V226 E227 I253 F261 T395 E398 V399 W401	V223-I393 HydrophobicContact CB-CG1 4.45Å; V223-I393 HydrophobicContact CG1-CB 4.44Å; V223-I393 HydrophobicContact CG1-CG1 4.09Å; V223-I393 HydrophobicContact CG1-CG2 4.29Å; V223-I393 HydrophobicContact CG2-CD1 4.18Å; V223-I393 HydrophobicContact CG2-CG1 3.98Å; V226-I393 HydrophobicContact CG2-CG2 3.78Å; E227-I393 HydrophobicContact CG-CG2 4.16Å; I253-I393 HydrophobicContact CD1-CD1 4.39Å; F261-I393 HydrophobicContact CE1-CD1 3.97Å; F261-I393 HydrophobicContact CE1-CG2 4.43Å; F261-I393 HydrophobicContact CZ-CG2 4.05Å; I393-T395 HydrophobicContact CG2-CG2 4.05Å; I393-T395 PolarHBondContact O-N 2.67Å; I393-T395 VanDerWaalsContact O-N 3.13Å; I393-E398 WeakPolarHBondContact O-CA 3.44Å; I393-V399 HydrophobicContact CB-CB 4.1Å; I393-V399 HydrophobicContact CB-CG2 4.36Å; I393-V399 HydrophobicContact CD1-CB 4.28Å; I393-V399 HydrophobicContact CD1-CG2 4.48Å; I393-V399 HydrophobicContact CG1-CB 4.26Å; I393-V399 PolarHBondContact N-O 3.49Å; I393-V399 PolarHBondContact O-N 3.05Å; I393-W401 HydrophobicContact CD1-CH2 4.38Å; I393-W401 HydrophobicContact CD1-CZ3 4.08Å; I393-W401 HydrophobicContact CG1-CH2 4.44Å; I393-W401 HydrophobicContact CG1-CZ3 4.02Å
394	Y	98.8	Very high	98.8	Very high	90 Å²	90	27.8 Å²	27.8	35%	0.353	14%	0.137	S	C	.	.			trans	-93	38.6	-170.1	-63.9	-109.3	0	0	0	112.1	K89 L92 E227 V392	K89-Y394 HydrophobicContact CD-CD2 4.38Å; K89-Y394 HydrophobicContact CD-CG 4.35Å; K89-Y394 VanDerWaalsContact CE-CE2 3.42Å; K89-Y394 HydrophobicContact CG-CD1 4.26Å; K89-Y394 HydrophobicContact CG-CG 4.29Å; K89-Y394 VanDerWaalsContact NZ-CD2 3.32Å; L92-Y394 WeakPolarHBondContact CD1-O 3.4Å; L92-Y394 WeakPolarHBondContact CD2-O 3.38Å; E227-Y394 PolarHBondContact OE1-N 2.78Å; V392-Y394 HydrophobicContact CB-CD2 4.05Å; V392-Y394 HydrophobicContact CB-CE2 3.47Å; V392-Y394 VanDerWaalsContact CB-CE2 3.47Å; V392-Y394 HydrophobicContact CG1-CD1 4.22Å; V392-Y394 HydrophobicContact CG1-CD2 3.6Å; V392-Y394 HydrophobicContact CG1-CE1 4.01Å; V392-Y394 HydrophobicContact CG1-CE2 3.38Å; V392-Y394 HydrophobicContact CG1-CG 4.06Å
395	T	98.9	Very high	98.8	Very high	4 Å²	4	26.3 Å²	26.3	3%	0.025	13%	0.13	C	C	.	.	S	Bend	trans	-67.3	-176.4	163.5	43.8	0	0	0	0	110.3	F261 L265 I393 P397 E398	F261-T395 HydrophobicContact CE2-CG2 4.22Å; F261-T395 WeakPolarHBondContact CE2-OG1 3.48Å; F261-T395 HydrophobicContact CZ-CG2 3.94Å; F261-T395 VanDerWaalsContact CZ-OG1 3.3Å; F261-T395 WeakPolarHBondContact CZ-OG1 3.26Å; L265-T395 HydrophobicContact CD2-CG2 4.46Å; I393-T395 HydrophobicContact CG2-CG2 4.05Å; I393-T395 PolarHBondContact O-N 2.67Å; I393-T395 VanDerWaalsContact O-N 3.13Å; T395-P397 CarbonylContact C-O 3.51Å; T395-P397 WeakPolarHBondContact CB-O 3.31Å; T395-P397 CarbonylContact O-C 3.28Å; T395-P397 PolarHBondContact OG1-O 3.16Å; T395-E398 WeakPolarHBondContact O-CA 3.3Å; T395-E398 VanDerWaalsContact O-CG 3.27Å; T395-E398 WeakPolarHBondContact O-CG 3.44Å; T395-E398 PolarHBondContact O-N 3.12Å
396	H	98.8	Very high	98.8	Very high	51 Å²	51	25.1 Å²	25.1	24%	0.236	12%	0.123	C	C	.	.	S	Bend	trans	-131.6	114	170.2	-178.7	86.1	0	0	0	106.8	H96 Q268 D434	H96-H396 AromaticContact CE1-CD2 3.48Å; H96-H396 PolarHBondContact CE1-CD2 3.38Å; H96-H396 VanDerWaalsContact CE1-CD2 3.48Å; H96-H396 AromaticContact CE1-CE1 3.39Å; H96-H396 PolarHBondContact CE1-CE1 3.46Å; H96-H396 AromaticContact CE1-CG 3.47Å; H96-H396 VanDerWaalsContact CE1-CG 3.47Å; H96-H396 AromaticContact CE1-ND1 3.41Å; H96-H396 PolarHBondContact CE1-ND1 3.02Å; H96-H396 AromaticContact CE1-NE2 3.42Å; H96-H396 PolarHBondContact CE1-NE2 2.84Å; H96-H396 AromaticContact ND1-CD2 3.81Å; H96-H396 AromaticContact ND1-CG 3.71Å; H96-H396 AromaticContact NE2-CE1 3.74Å; H96-H396 AromaticContact NE2-ND1 3.64Å; Q268-H396 PolarHBondContact NE2-O 2.86Å; H396-D434 IonicContact CE1-OD2 2.7Å; H396-D434 PolarHBondContact CE1-OD2 3.2Å; H396-D434 IonicContact NE2-OD2 2.7Å
397	P	98.8	Very high	98.8	Very high	3 Å²	3	23 Å²	23	2%	0.019	12%	0.116	C	C	.	.	S	Bend	cis	-57.9	155.9	-5.4	28.2	-36.6	0	0	0	112.7	I264 T395 L456	I264-P397 HydrophobicContact CD1-CG 4.12Å; I264-P397 HydrophobicContact CG2-CG 3.82Å; T395-P397 CarbonylContact C-O 3.51Å; T395-P397 WeakPolarHBondContact CB-O 3.31Å; T395-P397 CarbonylContact O-C 3.28Å; T395-P397 PolarHBondContact OG1-O 3.16Å; P397-L456 HydrophobicContact CB-CD1 4.29Å; P397-L456 HydrophobicContact CG-CD1 3.91Å
398	E	98.9	Very high	98.8	Very high	40 Å²	40	23.8 Å²	23.8	19%	0.187	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	160.6	172.2	-65.4	-176.8	148.7	0	0	109.8	I393 T395 L456 G457 G459 A460 G461	I393-E398 WeakPolarHBondContact O-CA 3.44Å; T395-E398 WeakPolarHBondContact O-CA 3.3Å; T395-E398 VanDerWaalsContact O-CG 3.27Å; T395-E398 WeakPolarHBondContact O-CG 3.44Å; T395-E398 PolarHBondContact O-N 3.12Å; E398-L456 WeakPolarHBondContact O-CA 3.12Å; E398-G457 PolarHBondContact N-O 3.33Å; E398-G457 PolarHBondContact O-N 3.1Å; E398-G459 VanDerWaalsContact OE2-C 3.27Å; E398-G459 WeakPolarHBondContact OE2-CA 3.35Å; E398-A460 HydrophobicContact CB-CB 3.68Å; E398-A460 PolarHBondContact OE2-N 2.96Å; E398-G461 PolarHBondContact OE2-N 3.39Å
399	V	98.9	Very high	98.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	131	167.9	-163.2	0	0	0	0	108.3	I253 I257 F261 V392 I393 W401 I455 L456	I253-V399 HydrophobicContact CD1-CG1 4.16Å; I257-V399 HydrophobicContact CG2-CG1 3.58Å; F261-V399 HydrophobicContact CB-CG2 4.24Å; F261-V399 HydrophobicContact CD1-CG2 3.77Å; F261-V399 HydrophobicContact CD2-CG2 3.5Å; F261-V399 HydrophobicContact CE1-CG2 3.88Å; F261-V399 HydrophobicContact CE2-CG2 3.63Å; F261-V399 HydrophobicContact CG-CG2 3.58Å; F261-V399 HydrophobicContact CZ-CG2 3.8Å; V392-V399 CarbonylContact C-O 3.53Å; V392-V399 WeakPolarHBondContact CA-O 3.33Å; I393-V399 HydrophobicContact CB-CB 4.1Å; I393-V399 HydrophobicContact CB-CG2 4.36Å; I393-V399 HydrophobicContact CD1-CB 4.28Å; I393-V399 HydrophobicContact CD1-CG2 4.48Å; I393-V399 HydrophobicContact CG1-CB 4.26Å; I393-V399 PolarHBondContact N-O 3.49Å; I393-V399 PolarHBondContact O-N 3.05Å; V399-W401 HydrophobicContact CG1-CE3 4.26Å; V399-W401 HydrophobicContact CG1-CZ3 4.36Å; V399-I455 CarbonylContact C-O 3.36Å; V399-I455 WeakPolarHBondContact CA-O 3.19Å; V399-L456 HydrophobicContact CG2-CD1 3.91Å
400	A	98.9	Very high	98.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	145	175.5	0	0	0	0	0	111.5	S391 V392 I455 A460 V464	S391-A400 CarbonylContact O-C 3.49Å; S391-A400 VanDerWaalsContact O-CA 3.23Å; S391-A400 WeakPolarHBondContact O-CA 3.36Å; V392-A400 HydrophobicContact CB-CB 4.44Å; V392-A400 HydrophobicContact CG1-CB 4.25Å; V392-A400 HydrophobicContact CG2-CB 3.95Å; A400-I455 PolarHBondContact N-O 3.41Å; A400-I455 PolarHBondContact O-N 2.99Å; A400-A460 VanDerWaalsContact CB-C 3.49Å; A400-A460 HydrophobicContact CB-CB 3.75Å; A400-A460 WeakPolarHBondContact CB-O 3.45Å; A400-V464 HydrophobicContact CB-CB 3.68Å; A400-V464 HydrophobicContact CB-CG1 3.91Å; A400-V464 HydrophobicContact CB-CG2 4.07Å
401	W	98.9	Very high	98.8	Very high	19 Å²	19	35 Å²	35	7%	0.072	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	159.1	176.5	69.4	97.4	0	0	0	113.2	G252 I253 P390 S391 I393 V399 A453 H454	G252-W401 PolarHBondContact O-NE1 2.98Å; I253-W401 HydrophobicContact CB-CH2 3.92Å; I253-W401 HydrophobicContact CB-CZ2 3.97Å; I253-W401 HydrophobicContact CB-CZ3 4.22Å; I253-W401 HydrophobicContact CD1-CZ3 4.18Å; I253-W401 HydrophobicContact CG1-CE3 4.29Å; I253-W401 HydrophobicContact CG1-CH2 4.32Å; I253-W401 HydrophobicContact CG1-CZ3 4.11Å; P390-W401 WeakPolarHBondContact CA-O 3.37Å; S391-W401 PolarHBondContact N-O 3.16Å; S391-W401 PolarHBondContact O-N 2.91Å; I393-W401 HydrophobicContact CD1-CH2 4.38Å; I393-W401 HydrophobicContact CD1-CZ3 4.08Å; I393-W401 HydrophobicContact CG1-CH2 4.44Å; I393-W401 HydrophobicContact CG1-CZ3 4.02Å; V399-W401 HydrophobicContact CG1-CE3 4.26Å; V399-W401 HydrophobicContact CG1-CZ3 4.36Å; W401-A453 WeakPolarHBondContact CA-O 3.42Å; W401-A453 WeakPolarHBondContact CB-O 3.44Å; W401-H454 HydrophobicContact CB-CB 4.28Å; W401-H454 VanDerWaalsContact CB-ND1 3.32Å; W401-H454 WeakPolarHBondContact CB-ND1 3.22Å; W401-H454 AromaticContact CG-ND1 3.88Å
402	V	98.9	Very high	98.8	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	151	176.5	62.2	0	0	0	0	109.6	C388 P390 G452 A453 V464 A467 A468 L471	C388-V402 WeakPolarHBondContact O-CG2 3.36Å; P390-V402 HydrophobicContact CB-CB 4.22Å; P390-V402 HydrophobicContact CB-CG2 4.4Å; V402-G452 VanDerWaalsContact O-CA 3.3Å; V402-G452 WeakPolarHBondContact O-CA 3.34Å; V402-A453 HydrophobicContact CG1-CB 4.39Å; V402-A453 PolarHBondContact N-O 2.79Å; V402-A453 PolarHBondContact O-N 2.84Å; V402-V464 HydrophobicContact CB-CG2 4Å; V402-V464 HydrophobicContact CG1-CG2 3.8Å; V402-A467 HydrophobicContact CG1-CB 3.75Å; V402-A468 HydrophobicContact CG2-CB 4.23Å; V402-L471 HydrophobicContact CB-CD1 4.16Å; V402-L471 HydrophobicContact CG1-CD1 3.71Å; V402-L471 HydrophobicContact CG2-CD1 3.76Å
403	G	98.8	Very high	98.8	Very high	12 Å²	12	40.1 Å²	40.1	12%	0.124	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	73.8	-157.9	-168.9	0	0	0	0	0	113.4	N387	N387-G403 VanDerWaalsContact O-CA 3.29Å; N387-G403 WeakPolarHBondContact O-CA 3.49Å; N387-G403 PolarHBondContact O-N 3.39Å
404	K	98.9	Very high	98.8	Very high	47 Å²	47	42.7 Å²	42.7	20%	0.204	22%	0.216	C	C	.	.			trans	-83.1	148.1	-174.2	-55.4	-56.4	-178.2	77.1	0	113.1	N387 Q408 L409 E412 L442 L451 H454	N387-K404 WeakPolarHBondContact OD1-CD 3.49Å; N387-K404 WeakPolarHBondContact OD1-CE 3.08Å; K404-Q408 HydrophobicContact CB-CB 4.24Å; K404-Q408 HydrophobicContact CD-CB 4.37Å; K404-L409 HydrophobicContact CB-CD2 3.67Å; K404-L409 HydrophobicContact CB-CG 3.84Å; K404-L409 HydrophobicContact CG-CD2 3.83Å; K404-E412 IonicContact NZ-OE1 3.84Å; K404-E412 PolarHBondContact NZ-OE1 3.47Å; K404-E412 IonicContact NZ-OE2 2.73Å; K404-E412 PolarHBondContact NZ-OE2 3.17Å; K404-L442 WeakPolarHBondContact O-CD1 3.26Å; K404-L451 PolarHBondContact N-O 2.91Å; K404-H454 PolarHBondContact O-CE1 2.52Å; K404-H454 PolarHBondContact O-NE2 2.81Å
405	S	98.9	Very high	98.8	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.028	23%	0.227	C	C	.	.			trans	-79.7	165.9	163.3	70.4	0	0	0	0	112.2	E407 Q408 L409	S405-E407 PolarHBondContact O-N 2.88Å; S405-E407 PolarHBondContact OG-N 3.33Å; S405-Q408 PolarHBondContact O-N 2.87Å; S405-Q408 PolarHBondContact OG-N 2.8Å; S405-L409 WeakPolarHBondContact O-CG 3.46Å; S405-L409 PolarHBondContact O-N 2.96Å; S405-L409 VanDerWaalsContact O-N 3.15Å
406	E	98.8	Very high	98.8	Very high	29 Å²	29	46.5 Å²	46.5	14%	0.136	24%	0.235	C	C	.	.	H	α-helix	trans	-56.9	-35.8	171.9	-83.9	-161.1	-138.2	0	0	112.3	D254 L409 K410 Y416 K440 L442	D254-E406 PolarHBondContact OD2-N 2.88Å; E406-L409 PolarHBondContact O-N 3.39Å; E406-K410 WeakPolarHBondContact O-CD 3.41Å; E406-K410 WeakPolarHBondContact O-CG 3.15Å; E406-K410 PolarHBondContact O-N 2.76Å; E406-K410 WeakPolarHBondContact OE2-CE 3.21Å; E406-K410 IonicContact OE2-NZ 3.54Å; E406-K410 PolarHBondContact OE2-NZ 3.49Å; E406-Y416 HydrophobicContact CG-CE2 3.81Å; E406-Y416 WeakPolarHBondContact CG-OH 3.42Å; E406-Y416 PolarHBondContact OE2-OH 3.48Å; E406-K440 WeakPolarHBondContact OE1-CE 3.35Å; E406-K440 IonicContact OE1-NZ 3.57Å; E406-K440 PolarHBondContact OE1-NZ 3.13Å; E406-L442 HydrophobicContact CB-CD1 4.46Å; E406-L442 HydrophobicContact CG-CD1 3.98Å; E406-L442 HydrophobicContact CG-CD2 3.63Å; E406-L442 HydrophobicContact CG-CG 4.49Å
407	E	98.7	Very high	98.8	Very high	48 Å²	48	46.9 Å²	46.9	22%	0.224	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-44.1	-178	-74.4	58.8	-107.3	0	0	110.9	M255 S405 L409 K410 E411	M255-E407 HydrophobicContact CB-CG 4.47Å; M255-E407 WeakPolarHBondContact CB-OE2 3.18Å; M255-E407 HydrophobicContact CG-CG 3.73Å; M255-E407 WeakPolarHBondContact CG-OE2 3.47Å; M255-E407 PolarHBondContact N-OE2 3.03Å; S405-E407 PolarHBondContact O-N 2.88Å; S405-E407 PolarHBondContact OG-N 3.33Å; E407-L409 PolarHBondContact O-N 2.57Å; E407-K410 WeakPolarHBondContact O-CB 3.22Å; E407-K410 PolarHBondContact O-N 2.87Å; E407-K410 IonicContact OE1-NZ 2.78Å; E407-K410 PolarHBondContact OE1-NZ 2.98Å; E407-E411 WeakPolarHBondContact O-CG 3.25Å; E407-E411 PolarHBondContact O-N 3.48Å
408	Q	98.6	Very high	98.8	Very high	62 Å²	62	49.4 Å²	49.4	29%	0.29	25%	0.251	S	S	.	.	H	α-helix	trans	-63.9	-40.7	175.1	-68.7	173.1	-57.3	0	0	112	K404 S405 K410 E411 E412	K404-Q408 HydrophobicContact CB-CB 4.24Å; K404-Q408 HydrophobicContact CD-CB 4.37Å; S405-Q408 PolarHBondContact O-N 2.87Å; S405-Q408 PolarHBondContact OG-N 2.8Å; Q408-K410 VanDerWaalsContact C-N 3.33Å; Q408-K410 PolarHBondContact O-N 3.42Å; Q408-E411 PolarHBondContact O-N 2.96Å; Q408-E412 VanDerWaalsContact O-CB 3.31Å; Q408-E412 WeakPolarHBondContact O-CB 3.41Å; Q408-E412 VanDerWaalsContact O-CG 3.26Å; Q408-E412 WeakPolarHBondContact O-CG 3.17Å; Q408-E412 PolarHBondContact O-N 3.33Å
409	L	98.8	Very high	98.8	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-67.5	-32.6	177.6	-63.4	-178.4	0	0	0	112.6	K404 S405 E406 E407 G413 I414 Y416 L442 L451	K404-L409 HydrophobicContact CB-CD2 3.67Å; K404-L409 HydrophobicContact CB-CG 3.84Å; K404-L409 HydrophobicContact CG-CD2 3.83Å; S405-L409 WeakPolarHBondContact O-CG 3.46Å; S405-L409 PolarHBondContact O-N 2.96Å; S405-L409 VanDerWaalsContact O-N 3.15Å; E406-L409 PolarHBondContact O-N 3.39Å; E407-L409 PolarHBondContact O-N 2.57Å; L409-G413 PolarHBondContact O-N 3.38Å; L409-I414 HydrophobicContact CD2-CB 4.2Å; L409-I414 HydrophobicContact CD2-CD1 3.85Å; L409-I414 HydrophobicContact CD2-CG2 4.29Å; L409-I414 PolarHBondContact O-N 3.46Å; L409-Y416 HydrophobicContact CB-CD1 3.53Å; L409-Y416 HydrophobicContact CB-CE1 3.62Å; L409-Y416 HydrophobicContact CB-CG 4.41Å; L409-Y416 HydrophobicContact CD1-CD1 3.71Å; L409-Y416 HydrophobicContact CD1-CD2 4.32Å; L409-Y416 HydrophobicContact CD1-CE1 4.3Å; L409-Y416 HydrophobicContact CD1-CG 3.73Å; L409-Y416 HydrophobicContact CG-CD1 4.27Å; L409-L442 HydrophobicContact CD1-CB 3.96Å; L409-L442 HydrophobicContact CD1-CD1 3.86Å; L409-L451 HydrophobicContact CD1-CB 3.98Å; L409-L451 HydrophobicContact CD1-CD1 3.81Å; L409-L451 HydrophobicContact CD2-CB 4.27Å; L409-L451 HydrophobicContact CD2-CD1 3.96Å
410	K	98.7	Very high	98.8	Very high	108 Å²	108	51 Å²	51	47%	0.47	26%	0.258	S	S	.	.	H	α-helix	trans	-66.3	-45.5	171.1	-69.3	157.6	-167.3	155	0	111.4	E406 E407 Q408 G413 Y416	E406-K410 WeakPolarHBondContact O-CD 3.41Å; E406-K410 WeakPolarHBondContact O-CG 3.15Å; E406-K410 PolarHBondContact O-N 2.76Å; E406-K410 WeakPolarHBondContact OE2-CE 3.21Å; E406-K410 IonicContact OE2-NZ 3.54Å; E406-K410 PolarHBondContact OE2-NZ 3.49Å; E407-K410 WeakPolarHBondContact O-CB 3.22Å; E407-K410 PolarHBondContact O-N 2.87Å; E407-K410 IonicContact OE1-NZ 2.78Å; E407-K410 PolarHBondContact OE1-NZ 2.98Å; Q408-K410 VanDerWaalsContact C-N 3.33Å; Q408-K410 PolarHBondContact O-N 3.42Å; K410-G413 PolarHBondContact O-N 3.15Å; K410-Y416 WeakPolarHBondContact CE-OH 3.32Å; K410-Y416 HydrophobicContact CG-CE1 4.45Å
411	E	98.4	Very high	98.8	Very high	165 Å²	165	51.1 Å²	51.1	77%	0.771	26%	0.259	S	S	*	.	H	α-helix	trans	-65.4	-36.5	178	-73	172.7	-174.8	0	0	112.5	E407 Q408 G413	E407-E411 WeakPolarHBondContact O-CG 3.25Å; E407-E411 PolarHBondContact O-N 3.48Å; Q408-E411 PolarHBondContact O-N 2.96Å; E411-G413 VanDerWaalsContact C-N 3.29Å; E411-G413 PolarHBondContact O-N 3.31Å
412	E	98.5	Very high	98.8	Very high	93 Å²	93	51.5 Å²	51.5	44%	0.435	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-4.9	176.5	-69.1	170.4	-166.5	0	0	113.5	K404 Q408 I414	K404-E412 IonicContact NZ-OE1 3.84Å; K404-E412 PolarHBondContact NZ-OE1 3.47Å; K404-E412 IonicContact NZ-OE2 2.73Å; K404-E412 PolarHBondContact NZ-OE2 3.17Å; Q408-E412 VanDerWaalsContact O-CB 3.31Å; Q408-E412 WeakPolarHBondContact O-CB 3.41Å; Q408-E412 VanDerWaalsContact O-CG 3.26Å; Q408-E412 WeakPolarHBondContact O-CG 3.17Å; Q408-E412 PolarHBondContact O-N 3.33Å; E412-I414 VanDerWaalsContact C-N 3.29Å; E412-I414 HydrophobicContact CB-CD1 3.83Å; E412-I414 HydrophobicContact CB-CG1 3.95Å; E412-I414 PolarHBondContact O-N 2.87Å; E412-I414 WeakPolarHBondContact OE2-CD1 3.42Å
413	G	98.6	Very high	98.8	Very high	66 Å²	66	51.5 Å²	51.5	68%	0.68	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	22.9	179.4	0	0	0	0	0	114.6	L409 K410 E411	L409-G413 PolarHBondContact O-N 3.38Å; K410-G413 PolarHBondContact O-N 3.15Å; E411-G413 VanDerWaalsContact C-N 3.29Å; E411-G413 PolarHBondContact O-N 3.31Å
414	I	98.7	Very high	98.8	Very high	54 Å²	54	53.6 Å²	53.6	28%	0.277	28%	0.28	S	S	.	.			trans	-84.8	128.4	-174.6	-64.5	173	0	0	0	110.2	L409 E412 Y416 L451	L409-I414 HydrophobicContact CD2-CB 4.2Å; L409-I414 HydrophobicContact CD2-CD1 3.85Å; L409-I414 HydrophobicContact CD2-CG2 4.29Å; L409-I414 PolarHBondContact O-N 3.46Å; E412-I414 VanDerWaalsContact C-N 3.29Å; E412-I414 HydrophobicContact CB-CD1 3.83Å; E412-I414 HydrophobicContact CB-CG1 3.95Å; E412-I414 PolarHBondContact O-N 2.87Å; E412-I414 WeakPolarHBondContact OE2-CD1 3.42Å; I414-Y416 WeakPolarHBondContact O-CD1 3.47Å; I414-Y416 PolarHBondContact O-N 2.95Å; I414-L451 HydrophobicContact CG2-CD1 3.77Å
415	E	98.7	Very high	98.7	Very high	126 Å²	126	52.8 Å²	52.8	59%	0.589	28%	0.282	S	S	*	.			trans	-75.9	113.7	170.6	-72.7	-156.3	-119.9	0	0	111.7	K445	E415-K445 HydrophobicContact CB-CB 4.09Å; E415-K445 HydrophobicContact CB-CD 3.99Å; E415-K445 VanDerWaalsContact O-CB 3.3Å; E415-K445 WeakPolarHBondContact O-CB 3.36Å; E415-K445 PolarHBondContact O-N 3.1Å; E415-K445 WeakPolarHBondContact OE2-CD 3.37Å; E415-K445 WeakPolarHBondContact OE2-CE 3.45Å; E415-K445 IonicContact OE2-NZ 2.77Å; E415-K445 PolarHBondContact OE2-NZ 2.58Å
416	Y	98.9	Very high	98.7	Very high	49 Å²	49	52.8 Å²	52.8	19%	0.192	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	166.8	176.8	67.7	-87.7	0	0	0	112.3	E406 L409 K410 I414 V418 L442 G443	E406-Y416 HydrophobicContact CG-CE2 3.81Å; E406-Y416 WeakPolarHBondContact CG-OH 3.42Å; E406-Y416 PolarHBondContact OE2-OH 3.48Å; L409-Y416 HydrophobicContact CB-CD1 3.53Å; L409-Y416 HydrophobicContact CB-CE1 3.62Å; L409-Y416 HydrophobicContact CB-CG 4.41Å; L409-Y416 HydrophobicContact CD1-CD1 3.71Å; L409-Y416 HydrophobicContact CD1-CD2 4.32Å; L409-Y416 HydrophobicContact CD1-CE1 4.3Å; L409-Y416 HydrophobicContact CD1-CG 3.73Å; L409-Y416 HydrophobicContact CG-CD1 4.27Å; K410-Y416 WeakPolarHBondContact CE-OH 3.32Å; K410-Y416 HydrophobicContact CG-CE1 4.45Å; I414-Y416 WeakPolarHBondContact O-CD1 3.47Å; I414-Y416 PolarHBondContact O-N 2.95Å; Y416-V418 HydrophobicContact CD2-CG2 3.69Å; Y416-V418 HydrophobicContact CE2-CG2 3.44Å; Y416-V418 VanDerWaalsContact CE2-CG2 3.44Å; Y416-L442 HydrophobicContact CD2-CD2 4.05Å; Y416-L442 HydrophobicContact CE2-CD2 4Å; Y416-G443 CarbonylContact C-O 3.51Å; Y416-G443 VanDerWaalsContact CA-O 3.22Å; Y416-G443 WeakPolarHBondContact CA-O 3.37Å; Y416-G443 WeakPolarHBondContact CB-O 3.3Å
417	K	98.8	Very high	98.7	Very high	59 Å²	59	53.6 Å²	53.6	26%	0.257	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	156.3	170.6	57.6	-178.7	-175.1	164.2	0	109.4	G443 D448 A501 S502	K417-G443 WeakPolarHBondContact CG-O 3.43Å; K417-G443 PolarHBondContact N-O 2.82Å; K417-G443 PolarHBondContact O-N 3.01Å; K417-D448 WeakPolarHBondContact CE-OD1 3.42Å; K417-D448 IonicContact NZ-OD1 3.31Å; K417-D448 PolarHBondContact NZ-OD1 3.27Å; K417-A501 WeakPolarHBondContact CD-O 3.21Å; K417-A501 WeakPolarHBondContact CE-O 3.43Å; K417-A501 PolarHBondContact NZ-O 3.32Å; K417-A501 VanDerWaalsContact NZ-O 3.1Å; K417-S502 PolarHBondContact NZ-O 2.87Å
418	V	98.9	Very high	98.8	Very high	56 Å²	56	56.6 Å²	56.6	34%	0.339	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	127.6	-168.1	-171.3	0	0	0	0	111.1	Y416 K420 K440 I441 L442	Y416-V418 HydrophobicContact CD2-CG2 3.69Å; Y416-V418 HydrophobicContact CE2-CG2 3.44Å; Y416-V418 VanDerWaalsContact CE2-CG2 3.44Å; V418-K420 HydrophobicContact CG1-CD 4.45Å; V418-K420 HydrophobicContact CG1-CG 4.15Å; V418-K440 HydrophobicContact CG1-CG 4.36Å; V418-I441 WeakPolarHBondContact CA-O 3.45Å; V418-L442 HydrophobicContact CB-CD2 4.4Å; V418-L442 HydrophobicContact CG1-CD2 4.01Å; V418-L442 HydrophobicContact CG2-CD2 3.79Å
419	G	98.9	Very high	98.8	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.021	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	144.1	167.7	0	0	0	0	0	111	K440 I441 A497	G419-K440 WeakPolarHBondContact O-CA 3.34Å; G419-I441 PolarHBondContact N-O 2.75Å; G419-I441 PolarHBondContact O-N 2.92Å; G419-A497 WeakPolarHBondContact CA-O 2.98Å
420	K	98.9	Very high	98.8	Very high	71 Å²	71	60.1 Å²	60.1	31%	0.309	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.3	179.9	-66.5	175.4	-173.6	171.5	0	110	E256 V418 M438 V439 K440	E256-K420 IonicContact OE1-NZ 3.28Å; E256-K420 PolarHBondContact OE1-NZ 3.29Å; E256-K420 WeakPolarHBondContact OE2-CE 3.45Å; E256-K420 IonicContact OE2-NZ 2.72Å; E256-K420 PolarHBondContact OE2-NZ 3.44Å; V418-K420 HydrophobicContact CG1-CD 4.45Å; V418-K420 HydrophobicContact CG1-CG 4.15Å; K420-M438 HydrophobicContact CD-SD 4.39Å; K420-V439 CarbonylContact C-O 3.21Å; K420-V439 VanDerWaalsContact CA-O 3.3Å; K420-V439 WeakPolarHBondContact CA-O 3.43Å; K420-K440 HydrophobicContact CG-CB 4.3Å; K420-K440 HydrophobicContact CG-CG 4.24Å
421	F	98.9	Very high	98.8	Very high	3 Å²	3	60.2 Å²	60.2	1%	0.013	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	123.2	173	-168.4	-93.4	0	0	0	111.1	A425 N426 M438 V439 A493 E496 A497 N508 F509	F421-A425 HydrophobicContact CE1-CB 3.86Å; F421-A425 HydrophobicContact CE2-CB 4.11Å; F421-A425 HydrophobicContact CZ-CB 3.48Å; F421-A425 VanDerWaalsContact CZ-CB 3.48Å; F421-N426 HydrophobicContact CE1-CB 4.11Å; F421-M438 CarbonylContact O-C 3.52Å; F421-M438 VanDerWaalsContact O-CA 3.26Å; F421-M438 WeakPolarHBondContact O-CA 3.43Å; F421-M438 WeakPolarHBondContact O-CB 3.37Å; F421-V439 PolarHBondContact N-O 2.97Å; F421-V439 PolarHBondContact O-N 3.26Å; F421-A493 HydrophobicContact CD1-CB 3.72Å; F421-A493 HydrophobicContact CE1-CB 4.32Å; F421-E496 HydrophobicContact CB-CB 4.13Å; F421-E496 HydrophobicContact CD1-CB 4.19Å; F421-E496 HydrophobicContact CD2-CB 3.38Å; F421-E496 HydrophobicContact CD2-CG 4.13Å; F421-E496 HydrophobicContact CE1-CB 4.46Å; F421-E496 HydrophobicContact CE2-CB 3.71Å; F421-E496 HydrophobicContact CE2-CG 3.92Å; F421-E496 HydrophobicContact CG-CB 3.63Å; F421-E496 HydrophobicContact CZ-CB 4.24Å; F421-E496 HydrophobicContact CZ-CG 4.19Å; F421-A497 HydrophobicContact CB-CB 3.92Å; F421-N508 HydrophobicContact CE2-CB 3.83Å; F421-N508 HydrophobicContact CZ-CB 3.8Å; F421-F509 HydrophobicContact CD2-CB 3.83Å; F421-F509 HydrophobicContact CE2-CB 3.61Å
422	P	98.9	Very high	98.8	Very high	27 Å²	27	55.5 Å²	55.5	18%	0.175	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	140.6	-177.6	32	-33.4	0	0	0	111.9	A424 A425 F509	P422-A424 PolarHBondContact O-N 3.36Å; P422-A424 VanDerWaalsContact O-N 3.12Å; P422-A425 HydrophobicContact CG-CB 4.12Å; P422-A425 PolarHBondContact O-N 3Å; P422-F509 HydrophobicContact CG-CD1 4.12Å; P422-F509 HydrophobicContact CG-CD2 3.69Å; P422-F509 HydrophobicContact CG-CE1 4.19Å; P422-F509 HydrophobicContact CG-CE2 3.78Å; P422-F509 HydrophobicContact CG-CG 3.87Å; P422-F509 HydrophobicContact CG-CZ 4.03Å
423	F	98.9	Very high	98.8	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-63.8	-19.6	175.8	-77.9	-69.9	0	0	0	113	A425 N426 A429 G437 V439 I455 L456 P458 M463 L490 A493	F423-A425 PolarHBondContact O-N 3.12Å; F423-N426 HydrophobicContact CD1-CB 4.19Å; F423-N426 PolarHBondContact O-N 2.95Å; F423-N426 VanDerWaalsContact O-N 3.11Å; F423-A429 HydrophobicContact CB-CB 4.12Å; F423-A429 HydrophobicContact CD1-CB 4.18Å; F423-A429 VanDerWaalsContact O-CB 3.24Å; F423-A429 WeakPolarHBondContact O-CB 3.37Å; F423-G437 PolarHBondContact N-O 3.17Å; F423-V439 HydrophobicContact CE1-CG2 4.41Å; F423-V439 HydrophobicContact CE2-CG2 4.01Å; F423-V439 HydrophobicContact CZ-CG2 3.65Å; F423-I455 HydrophobicContact CE2-CG2 4.08Å; F423-I455 HydrophobicContact CZ-CG2 4.07Å; F423-L456 WeakPolarHBondContact CD2-O 3.32Å; F423-L456 WeakPolarHBondContact CE2-O 3.43Å; F423-P458 HydrophobicContact CD1-CG 4.04Å; F423-P458 HydrophobicContact CE1-CG 4.32Å; F423-P458 HydrophobicContact CG-CG 4.21Å; F423-M463 HydrophobicContact CE1-CE 3.96Å; F423-M463 HydrophobicContact CZ-CE 3.82Å; F423-M463 HydrophobicContact CZ-SD 4.29Å; F423-L490 HydrophobicContact CE1-CB 4.47Å; F423-A493 HydrophobicContact CD1-CB 4.02Å; F423-A493 HydrophobicContact CE1-CB 3.59Å; F423-A493 HydrophobicContact CZ-CB 4.15Å
424	A	98.6	Very high	98.8	Very high	56 Å²	56	52.6 Å²	52.6	46%	0.463	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-60.6	-20	169.4	0	0	0	0	0	115.2	P422 T435	P422-A424 PolarHBondContact O-N 3.36Å; P422-A424 VanDerWaalsContact O-N 3.12Å; A424-T435 PolarHBondContact N-O 2.8Å
425	A	98.6	Very high	98.8	Very high	31 Å²	31	52.1 Å²	52.1	26%	0.256	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-102.1	-7.5	174.5	0	0	0	0	0	113.4	F421 P422 F423 F509	F421-A425 HydrophobicContact CE1-CB 3.86Å; F421-A425 HydrophobicContact CE2-CB 4.11Å; F421-A425 HydrophobicContact CZ-CB 3.48Å; F421-A425 VanDerWaalsContact CZ-CB 3.48Å; P422-A425 HydrophobicContact CG-CB 4.12Å; P422-A425 PolarHBondContact O-N 3Å; F423-A425 PolarHBondContact O-N 3.12Å; A425-F509 HydrophobicContact CB-CB 4.36Å
426	N	98.9	Very high	98.8	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	27%	0.271	C	S	.	.			trans	-79.6	130.8	177.4	174.6	-89.5	0	0	0	111	F421 F423 R428 A429 K430 T489 A493	F421-N426 HydrophobicContact CE1-CB 4.11Å; F423-N426 HydrophobicContact CD1-CB 4.19Å; F423-N426 PolarHBondContact O-N 2.95Å; F423-N426 VanDerWaalsContact O-N 3.11Å; N426-R428 PolarHBondContact O-N 2.79Å; N426-R428 PolarHBondContact OD1-N 3.12Å; N426-R428 VanDerWaalsContact OD1-N 3.08Å; N426-A429 HydrophobicContact CB-CB 3.89Å; N426-A429 PolarHBondContact O-N 3.43Å; N426-A429 WeakPolarHBondContact OD1-CB 3.42Å; N426-A429 PolarHBondContact OD1-N 3.27Å; N426-K430 VanDerWaalsContact O-CB 3.31Å; N426-K430 WeakPolarHBondContact O-CB 3.11Å; N426-K430 PolarHBondContact O-N 2.78Å; N426-T489 PolarHBondContact ND2-O 2.97Å; N426-T489 PolarHBondContact OD1-O 2.82Å; N426-A493 HydrophobicContact CB-CB 4.39Å
427	S	98.8	Very high	98.8	Very high	46 Å²	46	47.3 Å²	47.3	32%	0.322	27%	0.271	S	S	.	.	H	α-helix	trans	-61.2	-44.5	-174.8	-52.6	0	0	0	0	113.2	K430 T431	S427-K430 PolarHBondContact O-N 3.49Å; S427-T431 PolarHBondContact O-N 2.89Å; S427-T431 PolarHBondContact O-OG1 2.92Å
428	R	98.8	Very high	98.8	Very high	111 Å²	111	45.5 Å²	45.5	42%	0.419	26%	0.264	S	S	.	.	H	α-helix	trans	-71.6	-41.7	-178.7	-174	167.4	179.6	171	-8.3	112.7	N426 K430 T431 N432 P488 L490	N426-R428 PolarHBondContact O-N 2.79Å; N426-R428 PolarHBondContact OD1-N 3.12Å; N426-R428 VanDerWaalsContact OD1-N 3.08Å; R428-K430 PolarHBondContact O-N 2.97Å; R428-T431 PolarHBondContact O-N 3.16Å; R428-N432 WeakPolarHBondContact O-CB 3.37Å; R428-N432 VanDerWaalsContact O-CG 3.25Å; R428-N432 PolarHBondContact O-N 2.89Å; R428-N432 PolarHBondContact O-OD1 3.05Å; R428-P488 HydrophobicContact CB-CB 4.14Å; R428-P488 WeakPolarHBondContact CD-O 3.42Å; R428-L490 HydrophobicContact CB-CD2 4.13Å; R428-L490 HydrophobicContact CG-CD2 4.23Å; R428-L490 HydrophobicContact CG-CG 4.44Å
429	A	98.8	Very high	98.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-54.5	-45.5	170.8	0	0	0	0	0	110.6	F423 N426 N432 A433 D434 T435 P458 L490	F423-A429 HydrophobicContact CB-CB 4.12Å; F423-A429 HydrophobicContact CD1-CB 4.18Å; F423-A429 VanDerWaalsContact O-CB 3.24Å; F423-A429 WeakPolarHBondContact O-CB 3.37Å; N426-A429 HydrophobicContact CB-CB 3.89Å; N426-A429 PolarHBondContact O-N 3.43Å; N426-A429 WeakPolarHBondContact OD1-CB 3.42Å; N426-A429 PolarHBondContact OD1-N 3.27Å; A429-N432 PolarHBondContact O-N 3.03Å; A429-A433 PolarHBondContact O-N 3.32Å; A429-A433 VanDerWaalsContact O-N 3.13Å; A429-D434 CarbonylContact C-O 3.29Å; A429-D434 VanDerWaalsContact CA-O 3.3Å; A429-D434 WeakPolarHBondContact CA-O 3.21Å; A429-D434 WeakPolarHBondContact CB-O 3.49Å; A429-D434 CarbonylContact O-C 3.16Å; A429-D434 PolarHBondContact O-N 2.88Å; A429-T435 HydrophobicContact CB-CG2 4.32Å; A429-T435 WeakPolarHBondContact O-CG2 3.34Å; A429-P458 HydrophobicContact CB-CG 4.47Å; A429-L490 HydrophobicContact CB-CD2 3.95Å
430	K	98.7	Very high	98.8	Very high	135 Å²	135	42.8 Å²	42.8	59%	0.587	25%	0.247	S	C	*	.	H	α-helix	trans	-65.3	-43.4	177.2	-164.2	64	171	-175.7	0	113.1	N426 S427 R428 N432 A433 T435	N426-K430 VanDerWaalsContact O-CB 3.31Å; N426-K430 WeakPolarHBondContact O-CB 3.11Å; N426-K430 PolarHBondContact O-N 2.78Å; S427-K430 PolarHBondContact O-N 3.49Å; R428-K430 PolarHBondContact O-N 2.97Å; K430-N432 VanDerWaalsContact C-N 3.32Å; K430-N432 PolarHBondContact O-N 3.49Å; K430-A433 PolarHBondContact O-N 3.49Å; K430-T435 HydrophobicContact CB-CG2 4.5Å; K430-T435 HydrophobicContact CD-CG2 4.04Å
431	T	98.8	Very high	98.8	Very high	111 Å²	111	39.4 Å²	39.4	68%	0.681	23%	0.232	S	C	*	.	H	α-helix	trans	-60.8	-39.8	173.3	-58.7	0	0	0	0	112	S427 R428 A433	S427-T431 PolarHBondContact O-N 2.89Å; S427-T431 PolarHBondContact O-OG1 2.92Å; R428-T431 PolarHBondContact O-N 3.16Å; T431-A433 PolarHBondContact O-N 3.03Å
432	N	98.7	Very high	98.8	Very high	65 Å²	65	39.3 Å²	39.3	35%	0.348	23%	0.231	S	C	.	.	H	α-helix	trans	-72.7	-12.6	177.8	-72.9	4.1	0	0	0	113.4	R109 R428 A429 K430 D434	R109-N432 VanDerWaalsContact CZ-O 3.3Å; R109-N432 PolarHBondContact NH1-O 3.38Å; R109-N432 PolarHBondContact NH2-O 2.93Å; R428-N432 WeakPolarHBondContact O-CB 3.37Å; R428-N432 VanDerWaalsContact O-CG 3.25Å; R428-N432 PolarHBondContact O-N 2.89Å; R428-N432 PolarHBondContact O-OD1 3.05Å; A429-N432 PolarHBondContact O-N 3.03Å; K430-N432 VanDerWaalsContact C-N 3.32Å; K430-N432 PolarHBondContact O-N 3.49Å; N432-D434 HydrophobicContact CB-CB 4.19Å; N432-D434 PolarHBondContact O-N 3.26Å
433	A	98.5	Very high	98.8	Very high	65 Å²	65	38 Å²	38	54%	0.537	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	26.8	-165.7	0	0	0	0	0	114	A429 K430 T431	A429-A433 PolarHBondContact O-N 3.32Å; A429-A433 VanDerWaalsContact O-N 3.13Å; K430-A433 PolarHBondContact O-N 3.49Å; T431-A433 PolarHBondContact O-N 3.03Å
434	D	98.6	Very high	98.8	Very high	33 Å²	33	40.8 Å²	40.8	18%	0.176	24%	0.236	C	C	.	.			trans	-120.6	96.2	178.4	180	3.4	0	0	0	108.3	H396 A429 N432 P458	H396-D434 IonicContact CE1-OD2 2.7Å; H396-D434 PolarHBondContact CE1-OD2 3.2Å; H396-D434 IonicContact NE2-OD2 2.7Å; A429-D434 CarbonylContact C-O 3.29Å; A429-D434 VanDerWaalsContact CA-O 3.3Å; A429-D434 WeakPolarHBondContact CA-O 3.21Å; A429-D434 WeakPolarHBondContact CB-O 3.49Å; A429-D434 CarbonylContact O-C 3.16Å; A429-D434 PolarHBondContact O-N 2.88Å; N432-D434 HydrophobicContact CB-CB 4.19Å; N432-D434 PolarHBondContact O-N 3.26Å; D434-P458 WeakPolarHBondContact OD2-CB 3.41Å
435	T	98.7	Very high	98.8	Very high	44 Å²	44	44.1 Å²	44.1	27%	0.27	24%	0.24	S	C	.	.			trans	-131.8	10.3	-162.6	56.8	0	0	0	0	114.5	A424 A429 K430	A424-T435 PolarHBondContact N-O 2.8Å; A429-T435 HydrophobicContact CB-CG2 4.32Å; A429-T435 WeakPolarHBondContact O-CG2 3.34Å; K430-T435 HydrophobicContact CB-CG2 4.5Å; K430-T435 HydrophobicContact CD-CG2 4.04Å
436	D	98.7	Very high	98.8	Very high	56 Å²	56	47.5 Å²	47.5	30%	0.299	26%	0.262	S	S	.	.			trans	-76.9	136.7	-178.5	-117.8	-19.4	0	0	0	110.3	I264 K267 G457	I264-D436 HydrophobicContact CD1-CB 4.05Å; I264-D436 HydrophobicContact CG2-CB 4.46Å; I264-D436 WeakPolarHBondContact CG2-OD2 3.11Å; K267-D436 VanDerWaalsContact NZ-CG 3.32Å; K267-D436 IonicContact NZ-OD1 2.67Å; K267-D436 PolarHBondContact NZ-OD1 3.05Å; K267-D436 IonicContact NZ-OD2 2.8Å; K267-D436 PolarHBondContact NZ-OD2 3.09Å; D436-G457 WeakPolarHBondContact O-CA 3.21Å
437	G	98.8	Very high	98.7	Very high	19 Å²	19	51.1 Å²	51.1	20%	0.196	28%	0.284	C	S	.	.			trans	94	-162.4	175.1	0	0	0	0	0	116.9	F423 L456	F423-G437 PolarHBondContact N-O 3.17Å; G437-L456 CarbonylContact C-O 3.58Å; G437-L456 VanDerWaalsContact CA-O 3.25Å; G437-L456 WeakPolarHBondContact CA-O 3.34Å
438	M	98.9	Very high	98.8	Very high	21 Å²	21	49.8 Å²	49.8	10%	0.103	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	161.5	-171.6	68.1	-173.2	-172.6	0	0	112.7	E256 I257 K420 F421 K440 L456	E256-M438 HydrophobicContact CG-CE 4.01Å; I257-M438 HydrophobicContact CD1-CE 3.66Å; I257-M438 HydrophobicContact CD1-CG 4.3Å; I257-M438 HydrophobicContact CG1-CE 4.28Å; K420-M438 HydrophobicContact CD-SD 4.39Å; F421-M438 CarbonylContact O-C 3.52Å; F421-M438 VanDerWaalsContact O-CA 3.26Å; F421-M438 WeakPolarHBondContact O-CA 3.43Å; F421-M438 WeakPolarHBondContact O-CB 3.37Å; M438-K440 HydrophobicContact CE-CB 4.29Å; M438-K440 HydrophobicContact CE-CD 4.25Å; M438-L456 PolarHBondContact N-O 3.33Å; M438-L456 PolarHBondContact O-N 3.29Å
439	V	98.9	Very high	98.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	142.3	156.7	-174.9	0	0	0	0	109.4	K420 F421 F423 I441 I455 M463 A493 F494 A497	K420-V439 CarbonylContact C-O 3.21Å; K420-V439 VanDerWaalsContact CA-O 3.3Å; K420-V439 WeakPolarHBondContact CA-O 3.43Å; F421-V439 PolarHBondContact N-O 2.97Å; F421-V439 PolarHBondContact O-N 3.26Å; F423-V439 HydrophobicContact CE1-CG2 4.41Å; F423-V439 HydrophobicContact CE2-CG2 4.01Å; F423-V439 HydrophobicContact CZ-CG2 3.65Å; V439-I441 HydrophobicContact CG1-CD1 4.07Å; V439-I441 HydrophobicContact CG1-CG1 4.32Å; V439-I455 HydrophobicContact CG1-CG1 4.1Å; V439-I455 HydrophobicContact CG2-CG1 4.34Å; V439-I455 HydrophobicContact CG2-CG2 4.19Å; V439-M463 HydrophobicContact CG2-SD 3.89Å; V439-A493 HydrophobicContact CG2-CB 3.73Å; V439-F494 HydrophobicContact CG1-CD2 4.14Å; V439-A497 HydrophobicContact CB-CB 3.94Å; V439-A497 HydrophobicContact CG1-CB 3.84Å
440	K	98.9	Very high	98.8	Very high	1 Å²	1	50 Å²	50	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	129.5	177.4	172.8	179.1	179	168.8	0	109.7	D254 E256 I257 E406 V418 G419 K420 M438 H454	D254-K440 IonicContact OD1-NZ 2.67Å; D254-K440 PolarHBondContact OD1-NZ 2.98Å; D254-K440 WeakPolarHBondContact OD2-CE 3.24Å; D254-K440 IonicContact OD2-NZ 2.79Å; D254-K440 PolarHBondContact OD2-NZ 2.89Å; E256-K440 WeakPolarHBondContact OE2-CE 3.38Å; E256-K440 IonicContact OE2-NZ 3.14Å; E256-K440 PolarHBondContact OE2-NZ 2.88Å; I257-K440 HydrophobicContact CD1-CB 4.35Å; I257-K440 HydrophobicContact CG1-CD 4.23Å; E406-K440 WeakPolarHBondContact OE1-CE 3.35Å; E406-K440 IonicContact OE1-NZ 3.57Å; E406-K440 PolarHBondContact OE1-NZ 3.13Å; V418-K440 HydrophobicContact CG1-CG 4.36Å; G419-K440 WeakPolarHBondContact O-CA 3.34Å; K420-K440 HydrophobicContact CG-CB 4.3Å; K420-K440 HydrophobicContact CG-CG 4.24Å; M438-K440 HydrophobicContact CE-CB 4.29Å; M438-K440 HydrophobicContact CE-CD 4.25Å; K440-H454 HydrophobicContact CB-CB 4.36Å; K440-H454 PolarHBondContact N-O 3.39Å; K440-H454 PolarHBondContact O-N 3.45Å
441	I	98.9	Very high	98.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.4	-177.4	-58.5	-62.3	0	0	0	109.7	V418 G419 V439 A453 C477 F494 A497 N498 A501	V418-I441 WeakPolarHBondContact CA-O 3.45Å; G419-I441 PolarHBondContact N-O 2.75Å; G419-I441 PolarHBondContact O-N 2.92Å; V439-I441 HydrophobicContact CG1-CD1 4.07Å; V439-I441 HydrophobicContact CG1-CG1 4.32Å; I441-A453 HydrophobicContact CD1-CB 3.74Å; I441-C477 VanDerWaalsContact CG2-SG 3.53Å; I441-F494 HydrophobicContact CD1-CD2 3.78Å; I441-F494 HydrophobicContact CD1-CE2 3.57Å; I441-A497 HydrophobicContact CG1-CB 3.74Å; I441-N498 WeakPolarHBondContact CD1-ND2 3.26Å; I441-N498 WeakPolarHBondContact CG2-OD1 3.39Å; I441-A501 HydrophobicContact CB-CB 4.27Å; I441-A501 HydrophobicContact CG2-CB 3.99Å
442	L	98.9	Very high	98.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	112.9	173.6	-51.5	179.9	0	0	0	108.4	K404 E406 L409 Y416 V418 L451 G452	K404-L442 WeakPolarHBondContact O-CD1 3.26Å; E406-L442 HydrophobicContact CB-CD1 4.46Å; E406-L442 HydrophobicContact CG-CD1 3.98Å; E406-L442 HydrophobicContact CG-CD2 3.63Å; E406-L442 HydrophobicContact CG-CG 4.49Å; L409-L442 HydrophobicContact CD1-CB 3.96Å; L409-L442 HydrophobicContact CD1-CD1 3.86Å; Y416-L442 HydrophobicContact CD2-CD2 4.05Å; Y416-L442 HydrophobicContact CE2-CD2 4Å; V418-L442 HydrophobicContact CB-CD2 4.4Å; V418-L442 HydrophobicContact CG1-CD2 4.01Å; V418-L442 HydrophobicContact CG2-CD2 3.79Å; L442-L451 PolarHBondContact O-N 2.84Å; L442-G452 PolarHBondContact N-O 3.1Å; L442-G452 PolarHBondContact O-N 2.84Å
443	G	98.9	Very high	98.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	142.1	177.7	0	0	0	0	0	111.5	Y416 K417 K445 R449	Y416-G443 CarbonylContact C-O 3.51Å; Y416-G443 VanDerWaalsContact CA-O 3.22Å; Y416-G443 WeakPolarHBondContact CA-O 3.37Å; Y416-G443 WeakPolarHBondContact CB-O 3.3Å; K417-G443 WeakPolarHBondContact CG-O 3.43Å; K417-G443 PolarHBondContact N-O 2.82Å; K417-G443 PolarHBondContact O-N 3.01Å; G443-K445 PolarHBondContact O-N 2.6Å; G443-R449 CarbonylContact C-O 3.35Å; G443-R449 WeakPolarHBondContact CA-O 3.46Å
444	Q	98.8	Very high	98.8	Very high	59 Å²	59	33.5 Å²	33.5	28%	0.276	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	128.6	176.4	-173.3	173.3	27.2	0	0	110.2	S446 T447 D448 R449 L451	Q444-S446 VanDerWaalsContact C-N 3.28Å; Q444-S446 PolarHBondContact O-N 3.25Å; Q444-T447 WeakPolarHBondContact CB-OG1 3.29Å; Q444-T447 WeakPolarHBondContact CG-OG1 3.49Å; Q444-T447 PolarHBondContact O-N 3.19Å; Q444-T447 PolarHBondContact OE1-OG1 2.91Å; Q444-D448 WeakPolarHBondContact O-CA 3.37Å; Q444-D448 PolarHBondContact O-N 2.96Å; Q444-R449 HydrophobicContact CB-CB 4.43Å; Q444-R449 PolarHBondContact N-O 2.7Å; Q444-L451 HydrophobicContact CB-CD1 3.8Å; Q444-L451 HydrophobicContact CB-CD2 4.13Å; Q444-L451 HydrophobicContact CB-CG 3.96Å; Q444-L451 HydrophobicContact CG-CD1 4.4Å
445	K	98.6	Very high	98.8	Very high	125 Å²	125	31.9 Å²	31.9	54%	0.543	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-29.7	-167.4	-169	-170.6	-178	-165.7	0	114.1	E415 G443	E415-K445 HydrophobicContact CB-CB 4.09Å; E415-K445 HydrophobicContact CB-CD 3.99Å; E415-K445 VanDerWaalsContact O-CB 3.3Å; E415-K445 WeakPolarHBondContact O-CB 3.36Å; E415-K445 PolarHBondContact O-N 3.1Å; E415-K445 WeakPolarHBondContact OE2-CD 3.37Å; E415-K445 WeakPolarHBondContact OE2-CE 3.45Å; E415-K445 IonicContact OE2-NZ 2.77Å; E415-K445 PolarHBondContact OE2-NZ 2.58Å; G443-K445 PolarHBondContact O-N 2.6Å
446	S	98.3	Very high	98.8	Very high	103 Å²	103	29.8 Å²	29.8	72%	0.72	16%	0.158	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-16.7	-174.8	50.4	0	0	0	0	115.3	Q444	Q444-S446 VanDerWaalsContact C-N 3.28Å; Q444-S446 PolarHBondContact O-N 3.25Å
447	T	98.8	Very high	98.8	Very high	79 Å²	79	27.1 Å²	27.1	49%	0.485	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.8	-7.2	-171.7	58.6	0	0	0	0	113.6	Q444 R449	Q444-T447 WeakPolarHBondContact CB-OG1 3.29Å; Q444-T447 WeakPolarHBondContact CG-OG1 3.49Å; Q444-T447 PolarHBondContact O-N 3.19Å; Q444-T447 PolarHBondContact OE1-OG1 2.91Å; T447-R449 PolarHBondContact O-N 3.48Å; T447-R449 PolarHBondContact OG1-N 2.99Å
448	D	98.8	Very high	98.8	Very high	19 Å²	19	26.6 Å²	26.6	10%	0.102	14%	0.137	C	C	.	.			trans	59.2	1.7	-170.9	-152.7	49.4	0	0	0	115.9	K417 Q444 V450 S476 C477 E478 S502	K417-D448 WeakPolarHBondContact CE-OD1 3.42Å; K417-D448 IonicContact NZ-OD1 3.31Å; K417-D448 PolarHBondContact NZ-OD1 3.27Å; Q444-D448 WeakPolarHBondContact O-CA 3.37Å; Q444-D448 PolarHBondContact O-N 2.96Å; D448-V450 PolarHBondContact O-N 2.78Å; D448-S476 CarbonylContact O-C 3.6Å; D448-S476 VanDerWaalsContact O-CA 3.23Å; D448-S476 WeakPolarHBondContact O-CA 3.36Å; D448-S476 WeakPolarHBondContact O-CB 3.35Å; D448-C477 PolarHBondContact O-N 3.28Å; D448-C477 WeakPolarHBondContact OD2-CB 3.18Å; D448-C477 PolarHBondContact OD2-N 3.29Å; D448-E478 WeakPolarHBondContact OD2-CB 3.48Å; D448-E478 PolarHBondContact OD2-N 2.86Å; D448-S502 WeakPolarHBondContact OD1-CA 3.34Å; D448-S502 WeakPolarHBondContact OD2-CB 3.37Å; D448-S502 PolarHBondContact OD2-OG 2.73Å
449	R	98.8	Very high	98.8	Very high	112 Å²	112	26.9 Å²	26.9	42%	0.423	15%	0.145	S	C	.	.	B	Isolated β-bridge	trans	-57.5	132.3	178.8	-175.4	177.2	-179.4	-168.7	2	111.3	G443 Q444 T447 L451	G443-R449 CarbonylContact C-O 3.35Å; G443-R449 WeakPolarHBondContact CA-O 3.46Å; Q444-R449 HydrophobicContact CB-CB 4.43Å; Q444-R449 PolarHBondContact N-O 2.7Å; T447-R449 PolarHBondContact O-N 3.48Å; T447-R449 PolarHBondContact OG1-N 2.99Å; R449-L451 PolarHBondContact O-N 2.7Å
450	V	98.9	Very high	98.8	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.024	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	130	172.1	-175.3	0	0	0	0	109.8	D448 L471 A475 I480	D448-V450 PolarHBondContact O-N 2.78Å; V450-L471 HydrophobicContact CB-CD2 4.09Å; V450-L471 HydrophobicContact CG1-CD2 3.89Å; V450-L471 HydrophobicContact CG1-CG 4.34Å; V450-L471 VanDerWaalsContact O-CD2 3.22Å; V450-L471 WeakPolarHBondContact O-CD2 3.42Å; V450-A475 PolarHBondContact N-O 3.03Å; V450-I480 HydrophobicContact CG2-CD1 3.68Å
451	L	98.9	Very high	98.8	Very high	27 Å²	27	27.1 Å²	27.1	14%	0.141	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-25.6	176.5	-62.5	177.7	0	0	0	112.3	K404 L409 I414 L442 Q444 R449	K404-L451 PolarHBondContact N-O 2.91Å; L409-L451 HydrophobicContact CD1-CB 3.98Å; L409-L451 HydrophobicContact CD1-CD1 3.81Å; L409-L451 HydrophobicContact CD2-CB 4.27Å; L409-L451 HydrophobicContact CD2-CD1 3.96Å; I414-L451 HydrophobicContact CG2-CD1 3.77Å; L442-L451 PolarHBondContact O-N 2.84Å; Q444-L451 HydrophobicContact CB-CD1 3.8Å; Q444-L451 HydrophobicContact CB-CD2 4.13Å; Q444-L451 HydrophobicContact CB-CG 3.96Å; Q444-L451 HydrophobicContact CG-CD1 4.4Å; R449-L451 PolarHBondContact O-N 2.7Å
452	G	98.9	Very high	98.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.2	150.8	173.9	0	0	0	0	0	112.7	V402 L442	V402-G452 VanDerWaalsContact O-CA 3.3Å; V402-G452 WeakPolarHBondContact O-CA 3.34Å; L442-G452 PolarHBondContact N-O 3.1Å; L442-G452 PolarHBondContact O-N 2.84Å
453	A	98.9	Very high	98.8	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.6	178.8	0	0	0	0	0	109.6	W401 V402 I441 A467 F494	W401-A453 WeakPolarHBondContact CA-O 3.42Å; W401-A453 WeakPolarHBondContact CB-O 3.44Å; V402-A453 HydrophobicContact CG1-CB 4.39Å; V402-A453 PolarHBondContact N-O 2.79Å; V402-A453 PolarHBondContact O-N 2.84Å; I441-A453 HydrophobicContact CD1-CB 3.74Å; A453-A467 HydrophobicContact CB-CB 3.65Å; A453-F494 HydrophobicContact CB-CE2 4.12Å
454	H	98.9	Very high	98.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	125.6	-173.7	-55.2	-99.6	0	0	0	109.6	D254 I257 W401 K404 K440	D254-H454 WeakPolarHBondContact CB-ND1 3.4Å; I257-H454 HydrophobicContact CD1-CB 4.23Å; I257-H454 HydrophobicContact CG1-CB 3.86Å; W401-H454 HydrophobicContact CB-CB 4.28Å; W401-H454 VanDerWaalsContact CB-ND1 3.32Å; W401-H454 WeakPolarHBondContact CB-ND1 3.22Å; W401-H454 AromaticContact CG-ND1 3.88Å; K404-H454 PolarHBondContact O-CE1 2.52Å; K404-H454 PolarHBondContact O-NE2 2.81Å; K440-H454 HydrophobicContact CB-CB 4.36Å; K440-H454 PolarHBondContact N-O 3.39Å; K440-H454 PolarHBondContact O-N 3.45Å
455	I	98.9	Very high	98.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.5	-170.3	-54.9	155.2	0	0	0	108.1	V399 A400 F423 V439 A460 M463 V464	V399-I455 CarbonylContact C-O 3.36Å; V399-I455 WeakPolarHBondContact CA-O 3.19Å; A400-I455 PolarHBondContact N-O 3.41Å; A400-I455 PolarHBondContact O-N 2.99Å; F423-I455 HydrophobicContact CE2-CG2 4.08Å; F423-I455 HydrophobicContact CZ-CG2 4.07Å; V439-I455 HydrophobicContact CG1-CG1 4.1Å; V439-I455 HydrophobicContact CG2-CG1 4.34Å; V439-I455 HydrophobicContact CG2-CG2 4.19Å; I455-A460 HydrophobicContact CB-CB 3.97Å; I455-A460 HydrophobicContact CG2-CB 3.52Å; I455-M463 HydrophobicContact CD1-CB 3.95Å; I455-M463 HydrophobicContact CD1-CG 3.79Å; I455-M463 HydrophobicContact CD1-SD 3.98Å; I455-M463 HydrophobicContact CG1-SD 4.29Å; I455-M463 HydrophobicContact CG2-SD 4.08Å; I455-V464 HydrophobicContact CD1-CB 4.22Å
456	L	98.9	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	112.9	172.1	163.9	63.2	0	0	0	106.7	I257 N260 F261 I264 P397 E398 V399 F423 G437 M438	I257-L456 HydrophobicContact CD1-CB 3.96Å; I257-L456 HydrophobicContact CG2-CB 4.26Å; N260-L456 HydrophobicContact CB-CD2 3.59Å; F261-L456 HydrophobicContact CB-CD1 3.95Å; F261-L456 HydrophobicContact CB-CD2 4.24Å; F261-L456 HydrophobicContact CD2-CD1 4.01Å; F261-L456 HydrophobicContact CG-CD1 4.34Å; I264-L456 HydrophobicContact CD1-CD1 4.37Å; I264-L456 HydrophobicContact CD1-CD2 4.12Å; I264-L456 HydrophobicContact CD1-CG 4.39Å; P397-L456 HydrophobicContact CB-CD1 4.29Å; P397-L456 HydrophobicContact CG-CD1 3.91Å; E398-L456 WeakPolarHBondContact O-CA 3.12Å; V399-L456 HydrophobicContact CG2-CD1 3.91Å; F423-L456 WeakPolarHBondContact CD2-O 3.32Å; F423-L456 WeakPolarHBondContact CE2-O 3.43Å; G437-L456 CarbonylContact C-O 3.58Å; G437-L456 VanDerWaalsContact CA-O 3.25Å; G437-L456 WeakPolarHBondContact CA-O 3.34Å; M438-L456 PolarHBondContact N-O 3.33Å; M438-L456 PolarHBondContact O-N 3.29Å
457	G	98.8	Very high	98.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.2	-162.9	-176.3	0	0	0	0	0	114.7	E398 D436	E398-G457 PolarHBondContact N-O 3.33Å; E398-G457 PolarHBondContact O-N 3.1Å; D436-G457 WeakPolarHBondContact O-CA 3.21Å
458	P	98.6	Very high	98.8	Very high	8 Å²	8	25.4 Å²	25.4	5%	0.052	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	133.6	174.4	26.2	-35.4	0	0	0	112.6	F423 A429 D434 A460 L490	F423-P458 HydrophobicContact CD1-CG 4.04Å; F423-P458 HydrophobicContact CE1-CG 4.32Å; F423-P458 HydrophobicContact CG-CG 4.21Å; A429-P458 HydrophobicContact CB-CG 4.47Å; D434-P458 WeakPolarHBondContact OD2-CB 3.41Å; P458-A460 VanDerWaalsContact C-N 3.28Å; P458-A460 PolarHBondContact O-N 2.96Å; P458-L490 HydrophobicContact CB-CD1 3.86Å; P458-L490 HydrophobicContact CB-CD2 4.34Å; P458-L490 HydrophobicContact CG-CD1 4.21Å; P458-L490 HydrophobicContact CG-CD2 3.86Å
459	G	98.3	Very high	98.8	Very high	26 Å²	26	29.7 Å²	29.7	27%	0.268	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.1	26.6	171.8	0	0	0	0	0	114.9	E398 G461 E462 M463	E398-G459 VanDerWaalsContact OE2-C 3.27Å; E398-G459 WeakPolarHBondContact OE2-CA 3.35Å; G459-G461 VanDerWaalsContact C-N 3.27Å; G459-G461 PolarHBondContact O-N 3.41Å; G459-E462 PolarHBondContact O-N 3.06Å; G459-M463 WeakPolarHBondContact O-CB 3.44Å; G459-M463 PolarHBondContact O-N 3.29Å
460	A	98.9	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-60.2	-38.2	178.8	0	0	0	0	0	111.8	E398 A400 I455 P458 E462 M463 V464	E398-A460 HydrophobicContact CB-CB 3.68Å; E398-A460 PolarHBondContact OE2-N 2.96Å; A400-A460 VanDerWaalsContact CB-C 3.49Å; A400-A460 HydrophobicContact CB-CB 3.75Å; A400-A460 WeakPolarHBondContact CB-O 3.45Å; I455-A460 HydrophobicContact CB-CB 3.97Å; I455-A460 HydrophobicContact CG2-CB 3.52Å; P458-A460 VanDerWaalsContact C-N 3.28Å; P458-A460 PolarHBondContact O-N 2.96Å; A460-E462 VanDerWaalsContact C-N 3.26Å; A460-E462 PolarHBondContact O-N 2.85Å; A460-M463 PolarHBondContact O-N 3.41Å; A460-V464 PolarHBondContact O-N 2.84Å
461	G	98.6	Very high	98.8	Very high	7 Å²	7	25 Å²	25	7%	0.072	14%	0.137	C	C	.	.	H	α-helix	trans	-65.5	-25.7	-180	0	0	0	0	0	114.3	E398 G459 N465	E398-G461 PolarHBondContact OE2-N 3.39Å; G459-G461 VanDerWaalsContact C-N 3.27Å; G459-G461 PolarHBondContact O-N 3.41Å; G461-N465 PolarHBondContact O-ND2 2.64Å
462	E	98.9	Very high	98.8	Very high	154 Å²	154	29 Å²	29	72%	0.72	16%	0.155	S	C	*	.	H	α-helix	trans	-85.5	-46.5	172.4	-64.4	-61.6	146.6	0	0	111	G459 A460 V464 N465	G459-E462 PolarHBondContact O-N 3.06Å; A460-E462 VanDerWaalsContact C-N 3.26Å; A460-E462 PolarHBondContact O-N 2.85Å; E462-V464 VanDerWaalsContact C-N 3.31Å; E462-V464 PolarHBondContact O-N 3.31Å; E462-N465 WeakPolarHBondContact O-CB 3.42Å; E462-N465 PolarHBondContact O-N 3.42Å; E462-N465 PolarHBondContact O-ND2 3.09Å
463	M	98.8	Very high	98.8	Very high	13 Å²	13	38.3 Å²	38.3	6%	0.064	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-28.4	-174.5	-173	-174.4	-52.2	0	0	113.5	F423 V439 I455 G459 A460 N465 E466 L490 F494	F423-M463 HydrophobicContact CE1-CE 3.96Å; F423-M463 HydrophobicContact CZ-CE 3.82Å; F423-M463 HydrophobicContact CZ-SD 4.29Å; V439-M463 HydrophobicContact CG2-SD 3.89Å; I455-M463 HydrophobicContact CD1-CB 3.95Å; I455-M463 HydrophobicContact CD1-CG 3.79Å; I455-M463 HydrophobicContact CD1-SD 3.98Å; I455-M463 HydrophobicContact CG1-SD 4.29Å; I455-M463 HydrophobicContact CG2-SD 4.08Å; G459-M463 WeakPolarHBondContact O-CB 3.44Å; G459-M463 PolarHBondContact O-N 3.29Å; A460-M463 PolarHBondContact O-N 3.41Å; M463-N465 PolarHBondContact O-N 2.89Å; M463-E466 PolarHBondContact O-N 3.09Å; M463-L490 VanDerWaalsContact CE-C 3.45Å; M463-L490 HydrophobicContact CE-CB 3.68Å; M463-L490 WeakPolarHBondContact CE-O 3.47Å; M463-F494 HydrophobicContact CG-CB 4.22Å; M463-F494 HydrophobicContact SD-CB 3.89Å
464	V	98.9	Very high	98.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-22.7	176.7	74.7	0	0	0	0	113.2	P390 V392 A400 V402 I455 A460 E462 A467 A468	P390-V464 HydrophobicContact CB-CG1 3.98Å; P390-V464 HydrophobicContact CB-CG2 3.87Å; V392-V464 HydrophobicContact CG2-CG1 3.98Å; A400-V464 HydrophobicContact CB-CB 3.68Å; A400-V464 HydrophobicContact CB-CG1 3.91Å; A400-V464 HydrophobicContact CB-CG2 4.07Å; V402-V464 HydrophobicContact CB-CG2 4Å; V402-V464 HydrophobicContact CG1-CG2 3.8Å; I455-V464 HydrophobicContact CD1-CB 4.22Å; A460-V464 PolarHBondContact O-N 2.84Å; E462-V464 VanDerWaalsContact C-N 3.31Å; E462-V464 PolarHBondContact O-N 3.31Å; V464-A467 WeakPolarHBondContact O-CB 3.49Å; V464-A467 PolarHBondContact O-N 2.97Å; V464-A468 PolarHBondContact O-N 2.78Å
465	N	98.9	Very high	98.8	Very high	80 Å²	80	40.4 Å²	40.4	43%	0.428	21%	0.212	S	C	.	.	H	α-helix	trans	-73	-30.5	179.9	-53.8	-67.7	0	0	0	111.9	G461 E462 M463 A467 A468 L469	G461-N465 PolarHBondContact O-ND2 2.64Å; E462-N465 WeakPolarHBondContact O-CB 3.42Å; E462-N465 PolarHBondContact O-N 3.42Å; E462-N465 PolarHBondContact O-ND2 3.09Å; M463-N465 PolarHBondContact O-N 2.89Å; N465-A467 VanDerWaalsContact C-N 3.35Å; N465-A468 PolarHBondContact O-N 3.01Å; N465-L469 PolarHBondContact O-N 3.34Å
466	E	98.9	Very high	98.8	Very high	68 Å²	68	41.3 Å²	41.3	32%	0.318	22%	0.218	S	C	.	.	H	α-helix	trans	-65.3	-40.6	169.3	-172.1	173.5	-170.7	0	0	110.7	M463 A470 H485 S491 F494	M463-E466 PolarHBondContact O-N 3.09Å; E466-A470 WeakPolarHBondContact O-CB 3.41Å; E466-A470 PolarHBondContact O-N 3.09Å; E466-H485 IonicContact OE1-CD2 3.81Å; E466-H485 IonicContact OE1-CE1 3.35Å; E466-H485 IonicContact OE1-NE2 3.48Å; E466-H485 PolarHBondContact OE1-NE2 2.92Å; E466-S491 WeakPolarHBondContact OE2-CB 3.43Å; E466-F494 HydrophobicContact CB-CE1 4.44Å; E466-F494 HydrophobicContact CG-CD1 4.25Å; E466-F494 HydrophobicContact CG-CE1 3.89Å
467	A	98.9	Very high	98.8	Very high	2 Å²	2	41.3 Å²	41.3	2%	0.017	22%	0.218	C	C	.	.	H	α-helix	trans	-68.8	-34.7	175.4	0	0	0	0	0	113.6	V402 A453 V464 N465 A470 L471 F494	V402-A467 HydrophobicContact CG1-CB 3.75Å; A453-A467 HydrophobicContact CB-CB 3.65Å; V464-A467 WeakPolarHBondContact O-CB 3.49Å; V464-A467 PolarHBondContact O-N 2.97Å; N465-A467 VanDerWaalsContact C-N 3.35Å; A467-A470 PolarHBondContact O-N 3.34Å; A467-L471 PolarHBondContact O-N 2.9Å; A467-F494 HydrophobicContact CB-CE2 3.65Å; A467-F494 HydrophobicContact CB-CZ 3.68Å
468	A	98.9	Very high	98.8	Very high	13 Å²	13	45.4 Å²	45.4	11%	0.107	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-47.9	174.5	0	0	0	0	0	110.8	V402 V464 N465 A470 L471 E472	V402-A468 HydrophobicContact CG2-CB 4.23Å; V464-A468 PolarHBondContact O-N 2.78Å; N465-A468 PolarHBondContact O-N 3.01Å; A468-A470 VanDerWaalsContact C-N 3.27Å; A468-A470 PolarHBondContact O-N 3.32Å; A468-L471 PolarHBondContact O-N 2.85Å; A468-L471 VanDerWaalsContact O-N 3.14Å; A468-E472 WeakPolarHBondContact O-CG 3.46Å; A468-E472 PolarHBondContact O-N 2.76Å
469	L	98.9	Very high	98.8	Very high	109 Å²	109	49.2 Å²	49.2	57%	0.571	26%	0.258	S	S	*	.	H	α-helix	trans	-57.1	-39.9	174.1	177.6	62.3	0	0	0	112.2	N465 Y473	N465-L469 PolarHBondContact O-N 3.34Å; L469-Y473 HydrophobicContact CD1-CD2 3.92Å; L469-Y473 HydrophobicContact CD1-CE2 4.06Å; L469-Y473 PolarHBondContact O-N 2.97Å; L469-Y473 VanDerWaalsContact O-N 3.12Å
470	A	98.9	Very high	98.8	Very high	12 Å²	12	48.4 Å²	48.4	10%	0.099	25%	0.247	C	C	.	.	H	α-helix	trans	-67.1	-38.3	176.9	0	0	0	0	0	113.1	E466 A467 A468 G474 A475 I480	E466-A470 WeakPolarHBondContact O-CB 3.41Å; E466-A470 PolarHBondContact O-N 3.09Å; A467-A470 PolarHBondContact O-N 3.34Å; A468-A470 VanDerWaalsContact C-N 3.27Å; A468-A470 PolarHBondContact O-N 3.32Å; A470-G474 PolarHBondContact O-N 3.46Å; A470-G474 VanDerWaalsContact O-N 3.15Å; A470-A475 HydrophobicContact CB-CB 4.17Å; A470-A475 VanDerWaalsContact O-CB 3.31Å; A470-A475 WeakPolarHBondContact O-CB 3.37Å; A470-A475 PolarHBondContact O-N 3.39Å; A470-I480 HydrophobicContact CB-CD1 3.87Å; A470-I480 HydrophobicContact CB-CG1 4.24Å
471	L	98.8	Very high	98.8	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-68.9	-41.5	176.1	-80.3	170.7	0	0	0	112.7	V402 V450 A467 A468 G474	V402-L471 HydrophobicContact CB-CD1 4.16Å; V402-L471 HydrophobicContact CG1-CD1 3.71Å; V402-L471 HydrophobicContact CG2-CD1 3.76Å; V450-L471 HydrophobicContact CB-CD2 4.09Å; V450-L471 HydrophobicContact CG1-CD2 3.89Å; V450-L471 HydrophobicContact CG1-CG 4.34Å; V450-L471 VanDerWaalsContact O-CD2 3.22Å; V450-L471 WeakPolarHBondContact O-CD2 3.42Å; A467-L471 PolarHBondContact O-N 2.9Å; A468-L471 PolarHBondContact O-N 2.85Å; A468-L471 VanDerWaalsContact O-N 3.14Å; L471-G474 WeakPolarHBondContact O-CA 3.21Å; L471-G474 PolarHBondContact O-N 3.18Å
472	E	98.6	Very high	98.8	Very high	111 Å²	111	57 Å²	57	52%	0.519	28%	0.279	S	S	.	.	H	α-helix	trans	-59.1	-43.5	174.4	-73.6	-73	178.7	0	0	111.6	C388 A468 G474	C388-E472 HydrophobicContact CB-CG 3.91Å; C388-E472 WeakPolarHBondContact CB-OE1 3.44Å; A468-E472 WeakPolarHBondContact O-CG 3.46Å; A468-E472 PolarHBondContact O-N 2.76Å; E472-G474 PolarHBondContact O-N 3.21Å
473	Y	98.6	Very high	98.8	Very high	197 Å²	197	53.1 Å²	53.1	77%	0.773	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-7.8	172	-95.4	-92.8	0	0	0	114.2	L469 A475	L469-Y473 HydrophobicContact CD1-CD2 3.92Å; L469-Y473 HydrophobicContact CD1-CE2 4.06Å; L469-Y473 PolarHBondContact O-N 2.97Å; L469-Y473 VanDerWaalsContact O-N 3.12Å; Y473-A475 VanDerWaalsContact C-N 3.3Å; Y473-A475 PolarHBondContact O-N 3.3Å
474	G	98.6	Very high	98.8	Very high	28 Å²	28	58.2 Å²	58.2	29%	0.289	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.9	27.1	-177.4	0	0	0	0	0	114.4	A470 L471 E472	A470-G474 PolarHBondContact O-N 3.46Å; A470-G474 VanDerWaalsContact O-N 3.15Å; L471-G474 WeakPolarHBondContact O-CA 3.21Å; L471-G474 PolarHBondContact O-N 3.18Å; E472-G474 PolarHBondContact O-N 3.21Å
475	A	98.8	Very high	98.8	Very high	17 Å²	17	59 Å²	59	14%	0.14	31%	0.305	C	S	.	.			trans	-60.9	157.7	-172.2	0	0	0	0	0	114.2	V450 A470 Y473 D479	V450-A475 PolarHBondContact N-O 3.03Å; A470-A475 HydrophobicContact CB-CB 4.17Å; A470-A475 VanDerWaalsContact O-CB 3.31Å; A470-A475 WeakPolarHBondContact O-CB 3.37Å; A470-A475 PolarHBondContact O-N 3.39Å; Y473-A475 VanDerWaalsContact C-N 3.3Å; Y473-A475 PolarHBondContact O-N 3.3Å; A475-D479 HydrophobicContact CB-CB 4.38Å
476	S	98.9	Very high	98.8	Very high	18 Å²	18	58.3 Å²	58.3	13%	0.126	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-87.7	163.6	169	69	0	0	0	0	112.9	D448 E478 D479	D448-S476 CarbonylContact O-C 3.6Å; D448-S476 VanDerWaalsContact O-CA 3.23Å; D448-S476 WeakPolarHBondContact O-CA 3.36Å; D448-S476 WeakPolarHBondContact O-CB 3.35Å; S476-E478 PolarHBondContact O-N 2.83Å; S476-E478 PolarHBondContact OG-N 2.83Å; S476-D479 WeakPolarHBondContact CB-OD2 3.49Å; S476-D479 PolarHBondContact N-OD2 2.83Å; S476-D479 PolarHBondContact O-N 3.21Å; S476-D479 PolarHBondContact OG-N 3.21Å; S476-D479 PolarHBondContact OG-OD2 2.87Å
477	C	98.9	Very high	98.8	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-33.7	168	-66.4	0	0	0	0	111.6	I441 D448 A481 N498 A501	I441-C477 VanDerWaalsContact CG2-SG 3.53Å; D448-C477 PolarHBondContact O-N 3.28Å; D448-C477 WeakPolarHBondContact OD2-CB 3.18Å; D448-C477 PolarHBondContact OD2-N 3.29Å; C477-A481 VanDerWaalsContact O-CB 3.32Å; C477-A481 WeakPolarHBondContact O-CB 3.27Å; C477-A481 PolarHBondContact O-N 3.06Å; C477-N498 HydrophobicContact CB-CB 4.4Å; C477-A501 HydrophobicContact CB-CB 4.08Å
478	E	98.9	Very high	98.7	Very high	86 Å²	86	64 Å²	64	40%	0.402	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-43.4	174.8	-172.7	165.7	-170.7	0	0	112.4	D448 S476 I480 A481 R482 S502	D448-E478 WeakPolarHBondContact OD2-CB 3.48Å; D448-E478 PolarHBondContact OD2-N 2.86Å; S476-E478 PolarHBondContact O-N 2.83Å; S476-E478 PolarHBondContact OG-N 2.83Å; E478-I480 PolarHBondContact O-N 2.94Å; E478-A481 PolarHBondContact O-N 3.05Å; E478-R482 HydrophobicContact CG-CG 4.34Å; E478-R482 WeakPolarHBondContact O-CB 3.36Å; E478-R482 VanDerWaalsContact O-CG 3.28Å; E478-R482 WeakPolarHBondContact O-CG 3.46Å; E478-R482 PolarHBondContact O-N 2.87Å; E478-R482 IonicContact OE1-CZ 2.65Å; E478-R482 IonicContact OE1-NE 3.14Å; E478-R482 PolarHBondContact OE1-NE 3.48Å; E478-R482 IonicContact OE1-NH2 2.76Å; E478-R482 PolarHBondContact OE1-NH2 3.15Å; E478-S502 WeakPolarHBondContact CB-OG 3.41Å; E478-S502 PolarHBondContact N-OG 2.81Å
479	D	98.9	Very high	98.7	Very high	89 Å²	89	64.7 Å²	64.7	48%	0.476	34%	0.344	S	S	.	.	H	α-helix	trans	-55.4	-52.8	178.5	-66.6	-56.2	0	0	0	110.8	A475 S476 A481 R482 V483	A475-D479 HydrophobicContact CB-CB 4.38Å; S476-D479 WeakPolarHBondContact CB-OD2 3.49Å; S476-D479 PolarHBondContact N-OD2 2.83Å; S476-D479 PolarHBondContact O-N 3.21Å; S476-D479 PolarHBondContact OG-N 3.21Å; S476-D479 PolarHBondContact OG-OD2 2.87Å; D479-A481 PolarHBondContact O-N 2.94Å; D479-R482 PolarHBondContact O-N 3.45Å; D479-R482 VanDerWaalsContact O-N 3.15Å; D479-V483 PolarHBondContact O-N 3.02Å; D479-V483 VanDerWaalsContact O-N 3.1Å
480	I	98.9	Very high	98.7	Very high	9 Å²	9	60.9 Å²	60.9	5%	0.046	32%	0.324	C	S	.	.	H	α-helix	trans	-65.1	-41.8	-178.5	-60.1	160	0	0	0	111	V450 A470 E478 R482 V483 H485 F494 N498	V450-I480 HydrophobicContact CG2-CD1 3.68Å; A470-I480 HydrophobicContact CB-CD1 3.87Å; A470-I480 HydrophobicContact CB-CG1 4.24Å; E478-I480 PolarHBondContact O-N 2.94Å; I480-R482 PolarHBondContact O-N 2.87Å; I480-V483 PolarHBondContact O-N 3.15Å; I480-H485 PolarHBondContact O-CE1 2.85Å; I480-F494 HydrophobicContact CD1-CE1 4.22Å; I480-F494 HydrophobicContact CD1-CZ 3.9Å; I480-F494 HydrophobicContact CG1-CE1 4.43Å; I480-F494 HydrophobicContact CG2-CD1 3.74Å; I480-F494 HydrophobicContact CG2-CE1 3.41Å; I480-F494 VanDerWaalsContact CG2-CE1 3.41Å; I480-F494 HydrophobicContact CG2-CZ 4.08Å; I480-N498 HydrophobicContact CB-CB 3.99Å; I480-N498 WeakPolarHBondContact CD1-OD1 3.29Å; I480-N498 HydrophobicContact CG2-CB 3.95Å; I480-N498 WeakPolarHBondContact CG2-ND2 3.28Å
481	A	98.9	Very high	98.7	Very high	8 Å²	8	61.6 Å²	61.6	7%	0.066	33%	0.328	C	S	.	.	H	α-helix	trans	-60.2	-31.1	176.7	0	0	0	0	0	112.6	C477 E478 D479 R495 L499	C477-A481 VanDerWaalsContact O-CB 3.32Å; C477-A481 WeakPolarHBondContact O-CB 3.27Å; C477-A481 PolarHBondContact O-N 3.06Å; E478-A481 PolarHBondContact O-N 3.05Å; D479-A481 PolarHBondContact O-N 2.94Å; A481-R495 PolarHBondContact O-NE 3.32Å; A481-R495 PolarHBondContact O-NH2 2.8Å; A481-L499 HydrophobicContact CB-CB 3.86Å; A481-L499 HydrophobicContact CB-CD1 4.07Å
482	R	98.7	Very high	98.7	Very high	179 Å²	179	62.8 Å²	62.8	68%	0.675	33%	0.334	S	S	*	.	H	α-helix	trans	-83.8	-19.2	177.9	-70.9	179.5	178.7	-71.3	-1.8	114.2	E478 D479 I480 C484	E478-R482 HydrophobicContact CG-CG 4.34Å; E478-R482 WeakPolarHBondContact O-CB 3.36Å; E478-R482 VanDerWaalsContact O-CG 3.28Å; E478-R482 WeakPolarHBondContact O-CG 3.46Å; E478-R482 PolarHBondContact O-N 2.87Å; E478-R482 IonicContact OE1-CZ 2.65Å; E478-R482 IonicContact OE1-NE 3.14Å; E478-R482 PolarHBondContact OE1-NE 3.48Å; E478-R482 IonicContact OE1-NH2 2.76Å; E478-R482 PolarHBondContact OE1-NH2 3.15Å; D479-R482 PolarHBondContact O-N 3.45Å; D479-R482 VanDerWaalsContact O-N 3.15Å; I480-R482 PolarHBondContact O-N 2.87Å; R482-C484 PolarHBondContact O-N 2.94Å
483	V	98.9	Very high	98.8	Very high	73 Å²	73	57.5 Å²	57.5	44%	0.442	31%	0.309	S	S	.	.	S	Bend	trans	-60.1	128.1	172.1	173.5	0	0	0	0	110	D479 I480 H485 R495	D479-V483 PolarHBondContact O-N 3.02Å; D479-V483 VanDerWaalsContact O-N 3.1Å; I480-V483 PolarHBondContact O-N 3.15Å; V483-H485 VanDerWaalsContact C-N 3.26Å; V483-H485 PolarHBondContact O-N 2.89Å; V483-H485 PolarHBondContact O-ND1 3.22Å; V483-R495 PolarHBondContact O-NE 2.83Å
484	C	98.8	Very high	98.8	Very high	120 Å²	120	48.2 Å²	48.2	81%	0.811	27%	0.273	S	S	*	.			trans	-76.2	74.8	178.3	-172	0	0	0	0	111.4	R482	R482-C484 PolarHBondContact O-N 2.94Å
485	H	98.8	Very high	98.8	Very high	15 Å²	15	51 Å²	51	7%	0.069	27%	0.274	C	S	.	.			trans	-57.1	140.6	172.1	-65.1	59.1	0	0	0	110.2	E466 I480 V483 S491 E492 F494	E466-H485 IonicContact OE1-CD2 3.81Å; E466-H485 IonicContact OE1-CE1 3.35Å; E466-H485 IonicContact OE1-NE2 3.48Å; E466-H485 PolarHBondContact OE1-NE2 2.92Å; I480-H485 PolarHBondContact O-CE1 2.85Å; V483-H485 VanDerWaalsContact C-N 3.26Å; V483-H485 PolarHBondContact O-N 2.89Å; V483-H485 PolarHBondContact O-ND1 3.22Å; H485-S491 PolarHBondContact CD2-O 3.36Å; H485-E492 HydrophobicContact CB-CG 4.35Å; H485-F494 AromaticContact NE2-CD1 3.9Å
486	A	98.7	Very high	98.8	Very high	66 Å²	66	50.7 Å²	50.7	55%	0.545	27%	0.27	S	S	.	.			trans	-73	145.8	-176.9	0	0	0	0	0	112.1	T489	A486-T489 HydrophobicContact CB-CG2 4.03Å; A486-T489 WeakPolarHBondContact O-CB 3.48Å; A486-T489 VanDerWaalsContact O-CG2 3.22Å; A486-T489 WeakPolarHBondContact O-CG2 3.3Å; A486-T489 PolarHBondContact O-N 2.89Å; A486-T489 PolarHBondContact O-OG1 2.89Å
487	H	98.5	Very high	98.8	Very high	134 Å²	134	49.9 Å²	49.9	62%	0.62	26%	0.264	S	S	*	.	S	Bend	trans	-109.9	135.9	179.8	-173.3	77	0	0	0	112.3	E492	H487-E492 IonicContact CE1-OE1 2.73Å; H487-E492 IonicContact CG-OE1 2.78Å; H487-E492 IonicContact ND1-OE1 2.62Å; H487-E492 PolarHBondContact ND1-OE1 2.85Å; H487-E492 IonicContact ND1-OE2 2.73Å; H487-E492 PolarHBondContact ND1-OE2 3.35Å
488	P	97.9	Very high	98.8	Very high	57 Å²	57	49.9 Å²	49.9	37%	0.37	26%	0.264	S	S	.	.	S	Bend	cis	-85.2	133.4	-12.8	34.4	-33.2	0	0	0	111.2	R428 E492	R428-P488 HydrophobicContact CB-CB 4.14Å; R428-P488 WeakPolarHBondContact CD-O 3.42Å; P488-E492 VanDerWaalsContact CA-OE2 3.29Å; P488-E492 WeakPolarHBondContact CA-OE2 3.33Å
489	T	98.9	Very high	98.8	Very high	26 Å²	26	47.6 Å²	47.6	16%	0.16	26%	0.255	C	S	.	.			trans	-138.7	161.1	172.9	62.2	0	0	0	0	112.4	N426 A486 S491 E492	N426-T489 PolarHBondContact ND2-O 2.97Å; N426-T489 PolarHBondContact OD1-O 2.82Å; A486-T489 HydrophobicContact CB-CG2 4.03Å; A486-T489 WeakPolarHBondContact O-CB 3.48Å; A486-T489 VanDerWaalsContact O-CG2 3.22Å; A486-T489 WeakPolarHBondContact O-CG2 3.3Å; A486-T489 PolarHBondContact O-N 2.89Å; A486-T489 PolarHBondContact O-OG1 2.89Å; T489-S491 VanDerWaalsContact C-N 3.34Å; T489-S491 PolarHBondContact OG1-OG 2.87Å; T489-E492 PolarHBondContact N-OE2 2.99Å; T489-E492 PolarHBondContact O-N 2.67Å
490	L	98.8	Very high	98.8	Very high	30 Å²	30	44 Å²	44	16%	0.157	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-32.3	177.6	-61.8	174.8	0	0	0	111.6	F423 R428 A429 P458 M463 E492 A493	F423-L490 HydrophobicContact CE1-CB 4.47Å; R428-L490 HydrophobicContact CB-CD2 4.13Å; R428-L490 HydrophobicContact CG-CD2 4.23Å; R428-L490 HydrophobicContact CG-CG 4.44Å; A429-L490 HydrophobicContact CB-CD2 3.95Å; P458-L490 HydrophobicContact CB-CD1 3.86Å; P458-L490 HydrophobicContact CB-CD2 4.34Å; P458-L490 HydrophobicContact CG-CD1 4.21Å; P458-L490 HydrophobicContact CG-CD2 3.86Å; M463-L490 VanDerWaalsContact CE-C 3.45Å; M463-L490 HydrophobicContact CE-CB 3.68Å; M463-L490 WeakPolarHBondContact CE-O 3.47Å; L490-E492 PolarHBondContact O-N 2.8Å; L490-A493 VanDerWaalsContact O-CB 3.28Å; L490-A493 WeakPolarHBondContact O-CB 3.27Å; L490-A493 PolarHBondContact O-N 2.93Å
491	S	98.7	Very high	98.8	Very high	27 Å²	27	43.8 Å²	43.8	19%	0.189	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-11.1	178.2	54.4	0	0	0	0	113.5	E466 H485 T489 A493 F494 R495	E466-S491 WeakPolarHBondContact OE2-CB 3.43Å; H485-S491 PolarHBondContact CD2-O 3.36Å; T489-S491 VanDerWaalsContact C-N 3.34Å; T489-S491 PolarHBondContact OG1-OG 2.87Å; S491-A493 PolarHBondContact O-N 2.9Å; S491-A493 VanDerWaalsContact O-N 3.17Å; S491-F494 WeakPolarHBondContact O-CA 3.46Å; S491-F494 VanDerWaalsContact O-CB 3.31Å; S491-F494 WeakPolarHBondContact O-CB 3.46Å; S491-F494 PolarHBondContact O-N 2.8Å; S491-R495 PolarHBondContact O-N 2.67Å
492	E	98.9	Very high	98.8	Very high	29 Å²	29	44.8 Å²	44.8	14%	0.136	24%	0.243	C	C	.	.	H	α-helix	trans	-57.2	-27.8	164.5	-62	178	106.9	0	0	112	H485 H487 P488 T489 L490 R495 E496	H485-E492 HydrophobicContact CB-CG 4.35Å; H487-E492 IonicContact CE1-OE1 2.73Å; H487-E492 IonicContact CG-OE1 2.78Å; H487-E492 IonicContact ND1-OE1 2.62Å; H487-E492 PolarHBondContact ND1-OE1 2.85Å; H487-E492 IonicContact ND1-OE2 2.73Å; H487-E492 PolarHBondContact ND1-OE2 3.35Å; P488-E492 VanDerWaalsContact CA-OE2 3.29Å; P488-E492 WeakPolarHBondContact CA-OE2 3.33Å; T489-E492 PolarHBondContact N-OE2 2.99Å; T489-E492 PolarHBondContact O-N 2.67Å; L490-E492 PolarHBondContact O-N 2.8Å; E492-R495 WeakPolarHBondContact O-CB 3.41Å; E492-R495 PolarHBondContact O-N 2.89Å; E492-E496 WeakPolarHBondContact O-CB 3.43Å; E492-E496 VanDerWaalsContact O-CG 3.27Å; E492-E496 WeakPolarHBondContact O-CG 3.12Å; E492-E496 PolarHBondContact O-N 3.05Å
493	A	98.9	Very high	98.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-68.4	-32.7	171.1	0	0	0	0	0	112.9	F421 F423 N426 V439 L490 S491 A497	F421-A493 HydrophobicContact CD1-CB 3.72Å; F421-A493 HydrophobicContact CE1-CB 4.32Å; F423-A493 HydrophobicContact CD1-CB 4.02Å; F423-A493 HydrophobicContact CE1-CB 3.59Å; F423-A493 HydrophobicContact CZ-CB 4.15Å; N426-A493 HydrophobicContact CB-CB 4.39Å; V439-A493 HydrophobicContact CG2-CB 3.73Å; L490-A493 VanDerWaalsContact O-CB 3.28Å; L490-A493 WeakPolarHBondContact O-CB 3.27Å; L490-A493 PolarHBondContact O-N 2.93Å; S491-A493 PolarHBondContact O-N 2.9Å; S491-A493 VanDerWaalsContact O-N 3.17Å; A493-A497 VanDerWaalsContact O-CB 3.25Å; A493-A497 WeakPolarHBondContact O-CB 3.36Å; A493-A497 PolarHBondContact O-N 3.19Å
494	F	98.9	Very high	98.7	Very high	2 Å²	2	43 Å²	43	1%	0.009	25%	0.253	C	S	.	.	H	α-helix	trans	-70.1	-42.7	173.7	178.3	-113.1	0	0	0	110.9	V439 I441 A453 M463 E466 A467 I480 H485 S491 N498	V439-F494 HydrophobicContact CG1-CD2 4.14Å; I441-F494 HydrophobicContact CD1-CD2 3.78Å; I441-F494 HydrophobicContact CD1-CE2 3.57Å; A453-F494 HydrophobicContact CB-CE2 4.12Å; M463-F494 HydrophobicContact CG-CB 4.22Å; M463-F494 HydrophobicContact SD-CB 3.89Å; E466-F494 HydrophobicContact CB-CE1 4.44Å; E466-F494 HydrophobicContact CG-CD1 4.25Å; E466-F494 HydrophobicContact CG-CE1 3.89Å; A467-F494 HydrophobicContact CB-CE2 3.65Å; A467-F494 HydrophobicContact CB-CZ 3.68Å; I480-F494 HydrophobicContact CD1-CE1 4.22Å; I480-F494 HydrophobicContact CD1-CZ 3.9Å; I480-F494 HydrophobicContact CG1-CE1 4.43Å; I480-F494 HydrophobicContact CG2-CD1 3.74Å; I480-F494 HydrophobicContact CG2-CE1 3.41Å; I480-F494 VanDerWaalsContact CG2-CE1 3.41Å; I480-F494 HydrophobicContact CG2-CZ 4.08Å; H485-F494 AromaticContact NE2-CD1 3.9Å; S491-F494 WeakPolarHBondContact O-CA 3.46Å; S491-F494 VanDerWaalsContact O-CB 3.31Å; S491-F494 WeakPolarHBondContact O-CB 3.46Å; S491-F494 PolarHBondContact O-N 2.8Å; F494-N498 WeakPolarHBondContact CE2-ND2 3.21Å; F494-N498 WeakPolarHBondContact O-CB 3.35Å; F494-N498 PolarHBondContact O-N 3.41Å; F494-N498 PolarHBondContact O-ND2 2.79Å
495	R	98.9	Very high	98.6	Very high	85 Å²	85	43.6 Å²	43.6	32%	0.321	24%	0.242	S	C	.	.	H	α-helix	trans	-56.7	-52.6	170.6	-166.5	-173.5	173.6	-154.2	-6	112.8	A481 V483 S491 E492 N498 L499	A481-R495 PolarHBondContact O-NE 3.32Å; A481-R495 PolarHBondContact O-NH2 2.8Å; V483-R495 PolarHBondContact O-NE 2.83Å; S491-R495 PolarHBondContact O-N 2.67Å; E492-R495 WeakPolarHBondContact O-CB 3.41Å; E492-R495 PolarHBondContact O-N 2.89Å; R495-N498 PolarHBondContact O-N 2.88Å; R495-L499 PolarHBondContact O-N 3.14Å
496	E	98.9	Very high	98.6	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.056	24%	0.243	C	C	.	.	H	α-helix	trans	-68.1	-35.2	-176.5	-73.8	-75.9	87.4	0	0	112.3	F421 E492 L499 A500 I507 N508	F421-E496 HydrophobicContact CB-CB 4.13Å; F421-E496 HydrophobicContact CD1-CB 4.19Å; F421-E496 HydrophobicContact CD2-CB 3.38Å; F421-E496 HydrophobicContact CD2-CG 4.13Å; F421-E496 HydrophobicContact CE1-CB 4.46Å; F421-E496 HydrophobicContact CE2-CB 3.71Å; F421-E496 HydrophobicContact CE2-CG 3.92Å; F421-E496 HydrophobicContact CG-CB 3.63Å; F421-E496 HydrophobicContact CZ-CB 4.24Å; F421-E496 HydrophobicContact CZ-CG 4.19Å; E492-E496 WeakPolarHBondContact O-CB 3.43Å; E492-E496 VanDerWaalsContact O-CG 3.27Å; E492-E496 WeakPolarHBondContact O-CG 3.12Å; E492-E496 PolarHBondContact O-N 3.05Å; E496-L499 PolarHBondContact O-N 2.64Å; E496-A500 WeakPolarHBondContact O-CB 3.43Å; E496-A500 PolarHBondContact O-N 2.93Å; E496-I507 WeakPolarHBondContact OE2-CA 3.5Å; E496-I507 WeakPolarHBondContact OE2-CB 3.32Å; E496-I507 PolarHBondContact OE2-N 2.86Å; E496-N508 PolarHBondContact OE2-N 2.89Å; E496-N508 PolarHBondContact OE2-ND2 2.86Å
497	A	98.9	Very high	98.6	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-36.2	173	0	0	0	0	0	112.1	G419 F421 V439 I441 A493 A500 A501	G419-A497 WeakPolarHBondContact CA-O 2.98Å; F421-A497 HydrophobicContact CB-CB 3.92Å; V439-A497 HydrophobicContact CB-CB 3.94Å; V439-A497 HydrophobicContact CG1-CB 3.84Å; I441-A497 HydrophobicContact CG1-CB 3.74Å; A493-A497 VanDerWaalsContact O-CB 3.25Å; A493-A497 WeakPolarHBondContact O-CB 3.36Å; A493-A497 PolarHBondContact O-N 3.19Å; A497-A500 PolarHBondContact O-N 2.88Å; A497-A501 PolarHBondContact O-N 2.87Å
498	N	98.9	Very high	98.5	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-68.3	-40.5	171.9	-84.7	-77.8	0	0	0	111.9	I441 C477 I480 F494 R495 A500 A501 S502	I441-N498 WeakPolarHBondContact CD1-ND2 3.26Å; I441-N498 WeakPolarHBondContact CG2-OD1 3.39Å; C477-N498 HydrophobicContact CB-CB 4.4Å; I480-N498 HydrophobicContact CB-CB 3.99Å; I480-N498 WeakPolarHBondContact CD1-OD1 3.29Å; I480-N498 HydrophobicContact CG2-CB 3.95Å; I480-N498 WeakPolarHBondContact CG2-ND2 3.28Å; F494-N498 WeakPolarHBondContact CE2-ND2 3.21Å; F494-N498 WeakPolarHBondContact O-CB 3.35Å; F494-N498 PolarHBondContact O-N 3.41Å; F494-N498 PolarHBondContact O-ND2 2.79Å; R495-N498 PolarHBondContact O-N 2.88Å; N498-A500 VanDerWaalsContact C-N 3.32Å; N498-A500 PolarHBondContact O-N 3.26Å; N498-A501 PolarHBondContact O-N 2.8Å; N498-A501 VanDerWaalsContact O-N 3.16Å; N498-S502 WeakPolarHBondContact O-CB 3.4Å; N498-S502 PolarHBondContact O-N 2.91Å
499	L	98.9	Very high	98.3	Very high	39 Å²	39	50.7 Å²	50.7	20%	0.204	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-42.6	173.3	-176.9	62.8	0	0	0	111.4	A481 R495 E496 A501 S502 F503 K505 I507	A481-L499 HydrophobicContact CB-CB 3.86Å; A481-L499 HydrophobicContact CB-CD1 4.07Å; R495-L499 PolarHBondContact O-N 3.14Å; E496-L499 PolarHBondContact O-N 2.64Å; L499-A501 PolarHBondContact O-N 2.65Å; L499-S502 PolarHBondContact O-N 2.69Å; L499-F503 HydrophobicContact CD1-CB 4.04Å; L499-F503 WeakPolarHBondContact O-CB 3.44Å; L499-F503 PolarHBondContact O-N 2.57Å; L499-K505 CarbonylContact C-O 3.56Å; L499-I507 HydrophobicContact CD2-CD1 4.04Å; L499-I507 HydrophobicContact CD2-CG1 3.71Å
500	A	98.9	Very high	98.3	Very high	14 Å²	14	51.9 Å²	51.9	12%	0.116	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-37.9	174.3	0	0	0	0	0	112.9	E496 A497 N498 G504 K505	E496-A500 WeakPolarHBondContact O-CB 3.43Å; E496-A500 PolarHBondContact O-N 2.93Å; A497-A500 PolarHBondContact O-N 2.88Å; N498-A500 VanDerWaalsContact C-N 3.32Å; N498-A500 PolarHBondContact O-N 3.26Å; A500-G504 WeakPolarHBondContact O-CA 3.42Å; A500-G504 PolarHBondContact O-N 2.75Å; A500-K505 WeakPolarHBondContact CA-O 3.48Å; A500-K505 PolarHBondContact N-O 2.83Å
501	A	98.8	Very high	98.2	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.033	28%	0.276	C	S	.	.	H	α-helix	trans	-68.4	-43.9	175.1	0	0	0	0	0	111.9	K417 I441 C477 A497 N498 L499	K417-A501 WeakPolarHBondContact CD-O 3.21Å; K417-A501 WeakPolarHBondContact CE-O 3.43Å; K417-A501 PolarHBondContact NZ-O 3.32Å; K417-A501 VanDerWaalsContact NZ-O 3.1Å; I441-A501 HydrophobicContact CB-CB 4.27Å; I441-A501 HydrophobicContact CG2-CB 3.99Å; C477-A501 HydrophobicContact CB-CB 4.08Å; A497-A501 PolarHBondContact O-N 2.87Å; N498-A501 PolarHBondContact O-N 2.8Å; N498-A501 VanDerWaalsContact O-N 3.16Å; L499-A501 PolarHBondContact O-N 2.65Å
502	S	98.8	Very high	98.2	Very high	28 Å²	28	54.5 Å²	54.5	20%	0.196	28%	0.28	C	S	.	.	H	α-helix	trans	-73	-56.8	-176.4	-167.2	0	0	0	0	111.9	K417 D448 E478 N498 L499	K417-S502 PolarHBondContact NZ-O 2.87Å; D448-S502 WeakPolarHBondContact OD1-CA 3.34Å; D448-S502 WeakPolarHBondContact OD2-CB 3.37Å; D448-S502 PolarHBondContact OD2-OG 2.73Å; E478-S502 WeakPolarHBondContact CB-OG 3.41Å; E478-S502 PolarHBondContact N-OG 2.81Å; N498-S502 WeakPolarHBondContact O-CB 3.4Å; N498-S502 PolarHBondContact O-N 2.91Å; L499-S502 PolarHBondContact O-N 2.69Å
503	F	98.4	Very high	98.2	Very high	148 Å²	148	56 Å²	56	65%	0.649	29%	0.289	S	S	*	.	H	α-helix	trans	-101.4	-3	-169.5	-168.7	-114.1	0	0	0	114.5	L499 K505	L499-F503 HydrophobicContact CD1-CB 4.04Å; L499-F503 WeakPolarHBondContact O-CB 3.44Å; L499-F503 PolarHBondContact O-N 2.57Å; F503-K505 HydrophobicContact CD1-CD 4.47Å; F503-K505 HydrophobicContact CD1-CG 4.02Å; F503-K505 HydrophobicContact CE1-CD 4.34Å; F503-K505 HydrophobicContact CE1-CG 4.38Å; F503-K505 PolarHBondContact O-N 3.12Å
504	G	97.7	Very high	98.1	Very high	66 Å²	66	59.5 Å²	59.5	68%	0.68	31%	0.307	S	S	*	.	S	Bend	trans	81.8	6.3	174.5	0	0	0	0	0	116	A500	A500-G504 WeakPolarHBondContact O-CA 3.42Å; A500-G504 PolarHBondContact O-N 2.75Å
505	K	96.5	Very high	98.1	Very high	133 Å²	133	63.3 Å²	63.3	58%	0.578	33%	0.327	S	S	*	.			trans	-158.8	156.2	171.4	68.3	-169.7	74.3	179	0	110.4	L499 A500 F503	L499-K505 CarbonylContact C-O 3.56Å; A500-K505 WeakPolarHBondContact CA-O 3.48Å; A500-K505 PolarHBondContact N-O 2.83Å; F503-K505 HydrophobicContact CD1-CD 4.47Å; F503-K505 HydrophobicContact CD1-CG 4.02Å; F503-K505 HydrophobicContact CE1-CD 4.34Å; F503-K505 HydrophobicContact CE1-CG 4.38Å; F503-K505 PolarHBondContact O-N 3.12Å
506	S	98.1	Very high	98	Very high	11 Å²	11	61.8 Å²	61.8	8%	0.077	33%	0.327	C	S	.	.			trans	-92.1	-174.7	166.9	84.8	0	0	0	0	111	N508 F509	S506-N508 PolarHBondContact OG-N 3.47Å; S506-F509 WeakPolarHBondContact OG-CA 3.38Å; S506-F509 PolarHBondContact OG-N 3.19Å; S506-F509 PolarHBondContact OG-O 2.93Å
507	I	98.5	Very high	97.9	Very high	132 Å²	132	65.6 Å²	65.6	68%	0.677	35%	0.348	S	S	*	.	S	Bend	trans	-91.4	-33.8	170.8	-58.2	-55.5	0	0	0	111.3	E496 L499	E496-I507 WeakPolarHBondContact OE2-CA 3.5Å; E496-I507 WeakPolarHBondContact OE2-CB 3.32Å; E496-I507 PolarHBondContact OE2-N 2.86Å; L499-I507 HydrophobicContact CD2-CD1 4.04Å; L499-I507 HydrophobicContact CD2-CG1 3.71Å
508	N	97.6	Very high	97.9	Very high	101 Å²	101	71.1 Å²	71.1	54%	0.54	38%	0.377	S	S	.	.			trans	-108.8	1.2	-168.9	-60.6	-89.2	0	0	0	114.3	F421 E496 S506	F421-N508 HydrophobicContact CE2-CB 3.83Å; F421-N508 HydrophobicContact CZ-CB 3.8Å; E496-N508 PolarHBondContact OE2-N 2.89Å; E496-N508 PolarHBondContact OE2-ND2 2.86Å; S506-N508 PolarHBondContact OG-N 3.47Å
509	F	93.4	Very high	97.8	Very high	177 Å²	177	77.5 Å²	77.5	78%	0.776	41%	0.412	S	S	*	.			trans	-155.4	0	177.7	-172.3	-103.3	0	0	0	112.3	F421 P422 A425 S506	F421-F509 HydrophobicContact CD2-CB 3.83Å; F421-F509 HydrophobicContact CE2-CB 3.61Å; P422-F509 HydrophobicContact CG-CD1 4.12Å; P422-F509 HydrophobicContact CG-CD2 3.69Å; P422-F509 HydrophobicContact CG-CE1 4.19Å; P422-F509 HydrophobicContact CG-CE2 3.78Å; P422-F509 HydrophobicContact CG-CG 3.87Å; P422-F509 HydrophobicContact CG-CZ 4.03Å; A425-F509 HydrophobicContact CB-CB 4.36Å; S506-F509 WeakPolarHBondContact OG-CA 3.38Å; S506-F509 PolarHBondContact OG-N 3.19Å; S506-F509 PolarHBondContact OG-O 2.93Å

Retrieved 509 of 509 residues in 254.2 ms (Link to these results)

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