A0A087Y7G1_POEFO Loading...

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 A0A087Y7G1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 508 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	32.8	Very low	31.7	Very low	226 Å²	226	154.1 Å²	154.1	100%	1.113	78%	0.783	S	S	*	*				0	113.5	0	-66.2	146.4	-179.1	0	0	105.6
2	Q	31.1	Very low	31.6	Very low	183 Å²	183	148.2 Å²	148.2	86%	0.855	78%	0.775	S	S	*	*				60.9	135.2	82	-69.7	176.3	-27.5	0	0	111.8
3	S	31.6	Very low	31.7	Very low	104 Å²	104	146.3 Å²	146.3	73%	0.727	77%	0.774	S	S	*	*			cis	-169.1	170.1	-4.6	-93.5	0	0	0	0	107.6
4	C	29.8	Very low	31.7	Very low	107 Å²	107	152.2 Å²	152.2	72%	0.723	78%	0.78	S	S	*	*			cis	-146.8	162.2	3.3	-109.1	0	0	0	0	107.1
5	T	35.4	Very low	31.6	Very low	106 Å²	106	148 Å²	148	65%	0.65	77%	0.77	S	S	*	*			cis	90.6	97.3	44.8	-47.7	0	0	0	0	115.2
6	Q	34.3	Very low	31.7	Very low	174 Å²	174	149.3 Å²	149.3	81%	0.813	77%	0.77	S	S	*	*			trans	62.3	162	141.1	-68	-175.6	-9.2	0	0	120.9
7	L	31.3	Very low	31.7	Very low	128 Å²	128	149.6 Å²	149.6	67%	0.67	77%	0.767	S	S	*	*			cis	-168	166.2	-35.6	-124.1	170.8	0	0	0	109.9
8	Y	31.4	Very low	31.9	Very low	192 Å²	192	149.3 Å²	149.3	75%	0.753	77%	0.767	S	S	*	*			trans	79.6	142	152	-89.1	-58.5	0	0	0	125
9	R	31.4	Very low	32.7	Very low	229 Å²	229	146.7 Å²	146.7	86%	0.864	76%	0.761	S	S	*	*			trans	75.5	149.7	151.5	-74.8	173.7	-174.5	-154.7	0.2	117.8
10	S	30	Very low	32.8	Very low	90 Å²	90	148 Å²	148	63%	0.629	76%	0.76	S	S	*	*			cis	-166.9	148.5	-0.4	152.3	0	0	0	0	113.4
11	L	29.6	Very low	32.8	Very low	156 Å²	156	148.4 Å²	148.4	82%	0.817	76%	0.757	S	S	*	*			trans	39.5	117.6	149.9	-58.5	168.9	0	0	0	120.6
12	A	30.8	Very low	32.8	Very low	83 Å²	83	145.6 Å²	145.6	69%	0.686	75%	0.745	S	S	*	*				67.9	123.9	86.6	0	0	0	0	0	115.3
13	T	32	Very low	33.2	Very low	124 Å²	124	145.6 Å²	145.6	76%	0.761	75%	0.745	S	S	*	*				-177.2	170.7	66.3	44	0	0	0	0	113.5
14	R	31.8	Very low	33.3	Very low	229 Å²	229	144.2 Å²	144.2	86%	0.864	75%	0.747	S	S	*	*			trans	95.8	122.2	157.8	-58.2	-170.4	-178.4	-159.4	-1.3	116.9
15	S	31.2	Very low	33.8	Very low	89 Å²	89	143.8 Å²	143.8	62%	0.622	75%	0.751	S	S	*	*			cis	96.8	104.6	28	76.6	0	0	0	0	115.5
16	H	33.3	Very low	34	Very low	168 Å²	168	145 Å²	145	78%	0.778	76%	0.759	S	S	*	*			trans	-176.6	138.5	130.9	-90.6	-54.7	0	0	0	113.4
17	H	32	Very low	34.2	Very low	155 Å²	155	141.4 Å²	141.4	72%	0.718	76%	0.758	S	S	*	*			trans	8.9	152.6	145	-60.4	-39.9	0	0	0	121.9
18	L	34.5	Very low	34.5	Very low	144 Å²	144	142.9 Å²	142.9	75%	0.754	77%	0.766	S	S	*	*			cis	-173.7	179	1.3	-105.2	167.1	0	0	0	106.7
19	P	47.9	Very low	34.7	Very low	101 Å²	101	138.9 Å²	138.9	66%	0.656	77%	0.766	S	S	*	*			cis	-130.1	-172.1	-19.7	43.4	-26.9	0	0	0	114.1
20	F	33.8	Very low	35	Very low	172 Å²	172	133.9 Å²	133.9	75%	0.754	76%	0.761	S	S	*	*			trans	23.5	148.5	140.4	-85.5	-144.4	0	0	0	121.9
21	K	33.1	Very low	35.5	Very low	157 Å²	157	140.8 Å²	140.8	68%	0.683	77%	0.773	S	S	*	*			cis	-175.8	134.9	-8.7	-134.2	-169.5	-165.9	178.9	0	107.9
22	L	33.2	Very low	36.2	Very low	166 Å²	166	138.8 Å²	138.8	87%	0.869	77%	0.767	S	S	*	*			trans	-178.2	168.1	132.3	-124.8	69.4	0	0	0	111.6
23	H	39.5	Very low	37.1	Very low	183 Å²	183	144.8 Å²	144.8	85%	0.847	77%	0.774	S	S	*	*			trans	-93.2	120.4	-176.9	-68.2	57.5	0	0	0	111.2
24	G	33.9	Very low	37.9	Very low	76 Å²	76	143 Å²	143	78%	0.784	77%	0.771	S	S	*	*			trans	-91.4	101.7	161.3	0	0	0	0	0	109.6	T26	G24-T26 PolarHBondContact O-N 3.13Å
25	A	39.4	Very low	39.1	Very low	97 Å²	97	137.3 Å²	137.3	80%	0.802	76%	0.758	S	S	*	*			trans	-75	114.3	170.9	0	0	0	0	0	109	A27	A25-A27 PolarHBondContact O-N 2.86Å
26	T	39	Very low	41.2	Very low	133 Å²	133	137.3 Å²	137.3	82%	0.816	75%	0.747	S	S	*	*			trans	-68.3	97.6	179.3	-46.4	0	0	0	0	109.9	G24 L28	G24-T26 PolarHBondContact O-N 3.13Å; T26-L28 PolarHBondContact O-N 3.46Å
27	A	38.1	Very low	43.7	Very low	97 Å²	97	133.5 Å²	133.5	80%	0.802	75%	0.745	S	S	*	*			trans	-66	99.6	174.8	0	0	0	0	0	109.8	A25 S29	A25-A27 PolarHBondContact O-N 2.86Å; A27-S29 PolarHBondContact O-N 3.35Å; A27-S29 VanDerWaalsContact O-N 3.08Å
28	L	37.8	Very low	46.6	Very low	159 Å²	159	131.9 Å²	131.9	83%	0.832	74%	0.737	S	S	*	*			trans	-58.7	110	165.5	-81.6	161.2	0	0	0	108.1	T26 V30	T26-L28 PolarHBondContact O-N 3.46Å; L28-V30 PolarHBondContact O-N 3.12Å
29	S	36.1	Very low	49.7	Very low	108 Å²	108	126.5 Å²	126.5	76%	0.755	71%	0.709	S	S	*	*			trans	-68.4	99.3	175	64.7	0	0	0	0	108.9	A27 R31	A27-S29 PolarHBondContact O-N 3.35Å; A27-S29 VanDerWaalsContact O-N 3.08Å; S29-R31 PolarHBondContact O-N 3.07Å
30	V	38.3	Very low	52.1	Low	124 Å²	124	126.5 Å²	126.5	75%	0.752	70%	0.704	S	S	*	*			trans	-60.2	111.9	168.6	178.9	0	0	0	0	106.9	L28 T32	L28-V30 PolarHBondContact O-N 3.12Å; V30-T32 VanDerWaalsContact C-N 3.28Å; V30-T32 PolarHBondContact O-N 3.01Å
31	R	40.4	Very low	55.2	Low	236 Å²	236	118.6 Å²	118.6	89%	0.891	67%	0.67	S	S	*	*			trans	-68.5	92.8	167.2	-76.3	-175.2	173.8	-174	-2	107.6	S29	S29-R31 PolarHBondContact O-N 3.07Å
32	T	44	Very low	58.3	Low	113 Å²	113	112.8 Å²	112.8	69%	0.693	65%	0.647	S	S	*	*			trans	-56.2	152	158.2	46.5	0	0	0	0	108.9	V30 A34	V30-T32 VanDerWaalsContact C-N 3.28Å; V30-T32 PolarHBondContact O-N 3.01Å; T32-A34 PolarHBondContact O-N 2.99Å
33	Y	49.9	Very low	61.4	Low	209 Å²	209	104.9 Å²	104.9	82%	0.82	61%	0.605	S	S	*	*			trans	-56.3	125.1	172.8	-77.2	-107.2	0	0	0	107.9	D35	Y33-D35 PolarHBondContact O-N 3.34Å
34	A	48.3	Very low	64.2	Low	86 Å²	86	96.2 Å²	96.2	71%	0.711	57%	0.565	S	S	*	*			trans	-76.4	113.6	-171.6	0	0	0	0	0	110.2	T32	T32-A34 PolarHBondContact O-N 2.99Å
35	D	57.5	Low	67.3	Low	110 Å²	110	92.6 Å²	92.6	59%	0.588	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-56.1	139.7	165.7	-65.6	-60	0	0	0	109.9	Y33 H170	Y33-D35 PolarHBondContact O-N 3.34Å; D35-H170 IonicContact OD1-CD2 2.76Å
36	K	75	Confident	70.2	Confident	89 Å²	89	88.2 Å²	88.2	39%	0.387	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	140.6	178.1	-67.8	157.9	179.3	148.5	0	109.1	E38 S169 H170 Q171	K36-E38 PolarHBondContact O-N 2.75Å; K36-S169 PolarHBondContact NZ-OG 2.69Å; K36-H170 PolarHBondContact N-O 2.66Å; K36-H170 VanDerWaalsContact N-O 3.15Å; K36-Q171 HydrophobicContact CD-CB 4.21Å
37	A	86.5	Confident	73	Confident	88 Å²	88	82.3 Å²	82.3	73%	0.727	46%	0.457	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-51.6	137.4	178.6	0	0	0	0	0	111.2	Q171	A37-Q171 PolarHBondContact O-NE2 2.76Å
38	E	93.3	Very high	75.9	Confident	121 Å²	121	77.7 Å²	77.7	57%	0.565	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.9	146.9	-172.5	-51.9	-166.9	166.1	0	0	112.3	K36 V172 N174	K36-E38 PolarHBondContact O-N 2.75Å; E38-V172 HydrophobicContact CG-CB 4.17Å; E38-V172 HydrophobicContact CG-CG1 4.3Å; E38-N174 PolarHBondContact OE2-ND2 3.39Å
39	I	97.9	Very high	78.8	Confident	32 Å²	32	70.8 Å²	70.8	16%	0.164	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	114	178.2	-61.7	169.6	0	0	0	109.4	V67 T147 V149 Q171 V172 I173 N174	I39-V67 HydrophobicContact CG2-CG2 3.77Å; I39-T147 HydrophobicContact CD1-CG2 4.45Å; I39-V149 HydrophobicContact CD1-CG2 4.16Å; I39-Q171 VanDerWaalsContact CD1-CD 3.49Å; I39-Q171 HydrophobicContact CD1-CG 3.95Å; I39-V172 PolarHBondContact N-O 2.91Å; I39-I173 HydrophobicContact CB-CG1 4.44Å; I39-I173 CarbonylContact O-C 3.48Å; I39-I173 VanDerWaalsContact O-CA 3.25Å; I39-I173 WeakPolarHBondContact O-CA 3.12Å; I39-I173 WeakPolarHBondContact O-CG2 3.35Å; I39-N174 PolarHBondContact O-N 3.43Å
40	D	98.4	Very high	81.8	Confident	100 Å²	100	66.4 Å²	66.4	54%	0.535	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	140.8	166.7	-55.4	-61	0	0	0	111.3	K65 N174	D40-K65 VanDerWaalsContact O-CD 3.28Å; D40-K65 WeakPolarHBondContact O-CD 3.39Å; D40-K65 WeakPolarHBondContact O-CE 3.36Å; D40-K65 PolarHBondContact O-NZ 3.12Å; D40-N174 CarbonylContact C-O 3.44Å; D40-N174 VanDerWaalsContact CA-O 3.31Å; D40-N174 WeakPolarHBondContact CA-O 3.37Å
41	A	98.7	Very high	84.7	Confident	7 Å²	7	60.7 Å²	60.7	6%	0.058	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	150.5	178.5	0	0	0	0	0	112.8	K65 V67 I173 N174 T175 K176	A41-K65 CarbonylContact C-O 3.58Å; A41-K65 WeakPolarHBondContact CA-O 3.35Å; A41-V67 HydrophobicContact CB-CB 4.42Å; A41-V67 HydrophobicContact CB-CG2 3.73Å; A41-I173 HydrophobicContact CB-CG2 4.22Å; A41-N174 PolarHBondContact N-O 3Å; A41-T175 WeakPolarHBondContact O-CA 3.5Å; A41-T175 PolarHBondContact O-OG1 2.66Å; A41-K176 PolarHBondContact O-N 2.87Å; A41-K176 VanDerWaalsContact O-N 3.1Å
42	D	98.8	Very high	87.5	Confident	35 Å²	35	49.5 Å²	49.5	19%	0.187	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-35	169.9	-63.9	-60.9	0	0	0	111.7	F64 K65 K176 N177	D42-F64 HydrophobicContact CB-CB 3.88Å; D42-F64 HydrophobicContact CB-CD1 3.75Å; D42-F64 HydrophobicContact CB-CG 4.24Å; D42-K65 PolarHBondContact N-O 3.35Å; D42-K65 VanDerWaalsContact OD2-CB 3.28Å; D42-K65 WeakPolarHBondContact OD2-CB 3.4Å; D42-K65 PolarHBondContact OD2-N 2.7Å; D42-K176 WeakPolarHBondContact O-CB 3.44Å; D42-K176 WeakPolarHBondContact OD1-CD 3.43Å; D42-K176 VanDerWaalsContact OD1-CE 3.25Å; D42-K176 WeakPolarHBondContact OD1-CE 3.46Å; D42-K176 IonicContact OD1-NZ 2.66Å; D42-K176 PolarHBondContact OD1-NZ 3.13Å; D42-N177 PolarHBondContact O-N 2.8Å; D42-N177 VanDerWaalsContact O-N 3.08Å; D42-N177 PolarHBondContact O-ND2 3.49Å
43	V	98.9	Very high	90.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	130.3	178.1	-178.8	0	0	0	0	109.4	V45 A59 F64 K65 T66 V67 N177 I373 M376	V43-V45 HydrophobicContact CG1-CG2 4.11Å; V43-A59 HydrophobicContact CB-CB 4.47Å; V43-A59 HydrophobicContact CG2-CB 4.44Å; V43-F64 HydrophobicContact CG2-CB 3.96Å; V43-F64 HydrophobicContact CG2-CD1 4.35Å; V43-F64 HydrophobicContact CG2-CD2 4.02Å; V43-F64 HydrophobicContact CG2-CG 3.87Å; V43-K65 PolarHBondContact N-O 3.12Å; V43-T66 HydrophobicContact CB-CG2 4.45Å; V43-T66 WeakPolarHBondContact O-CA 3.27Å; V43-V67 PolarHBondContact O-N 2.8Å; V43-N177 WeakPolarHBondContact CA-O 3.22Å; V43-N177 HydrophobicContact CG2-CB 4.41Å; V43-I373 HydrophobicContact CG1-CD1 4.03Å; V43-M376 HydrophobicContact CG2-SD 4.1Å
44	T	98.9	Very high	92.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	115.6	168.9	-55.7	0	0	0	0	110	V67 V69 V161 I173 T175 N177 I178 L179	T44-V67 WeakPolarHBondContact CA-O 3.14Å; T44-V67 HydrophobicContact CG2-CB 4.3Å; T44-V67 HydrophobicContact CG2-CG1 4.35Å; T44-V69 HydrophobicContact CG2-CG2 4.01Å; T44-V161 HydrophobicContact CG2-CB 4.21Å; T44-V161 HydrophobicContact CG2-CG2 4.08Å; T44-I173 HydrophobicContact CG2-CD1 4.21Å; T44-I173 HydrophobicContact CG2-CG2 4.11Å; T44-I173 VanDerWaalsContact OG1-CG2 3.32Å; T44-I173 WeakPolarHBondContact OG1-CG2 3.41Å; T44-T175 PolarHBondContact N-OG1 3Å; T44-T175 WeakPolarHBondContact OG1-CB 3.25Å; T44-T175 WeakPolarHBondContact OG1-CG2 3.42Å; T44-T175 PolarHBondContact OG1-OG1 2.85Å; T44-N177 PolarHBondContact N-O 2.94Å; T44-I178 WeakPolarHBondContact O-CA 3.33Å; T44-L179 PolarHBondContact O-N 3Å
45	V	98.9	Very high	94.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.8	176	-168	0	0	0	0	109.6	V43 A56 T66 V67 C68 V69 L179 A181	V43-V45 HydrophobicContact CG1-CG2 4.11Å; V45-A56 HydrophobicContact CB-CB 4.46Å; V45-A56 HydrophobicContact CG2-CB 3.94Å; V45-T66 HydrophobicContact CG2-CG2 4.48Å; V45-V67 PolarHBondContact N-O 3.17Å; V45-C68 WeakPolarHBondContact O-CA 3.39Å; V45-V69 PolarHBondContact O-N 2.98Å; V45-L179 CarbonylContact C-O 3.54Å; V45-L179 WeakPolarHBondContact CA-O 3.38Å; V45-L179 HydrophobicContact CG1-CB 4.4Å; V45-L179 HydrophobicContact CG1-CD2 4.28Å; V45-L179 HydrophobicContact CG1-CG 4.33Å; V45-L179 HydrophobicContact CG2-CB 4.29Å; V45-L179 HydrophobicContact CG2-CD2 4.16Å; V45-A181 HydrophobicContact CG1-CB 4.03Å
46	V	98.9	Very high	96.8	Very high	6 Å²	6	28.4 Å²	28.4	4%	0.036	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110	179.2	-172.1	0	0	0	0	109.6	V161 I178 L179 A181 T182 L321	V46-V161 HydrophobicContact CG2-CG1 4.16Å; V46-V161 HydrophobicContact CG2-CG2 4.36Å; V46-I178 HydrophobicContact CG2-CG2 4.4Å; V46-L179 PolarHBondContact N-O 3.1Å; V46-A181 CarbonylContact O-C 3.59Å; V46-A181 WeakPolarHBondContact O-CA 3.24Å; V46-A181 PolarHBondContact O-N 2.88Å; V46-T182 HydrophobicContact CB-CG2 4.44Å; V46-T182 HydrophobicContact CG1-CG2 3.91Å; V46-T182 PolarHBondContact O-N 3.5Å; V46-T182 VanDerWaalsContact O-N 3.17Å; V46-L321 HydrophobicContact CG1-CD1 3.99Å
47	G	98.8	Very high	97.9	Very high	9 Å²	9	25 Å²	25	9%	0.093	15%	0.147	C	C	.	.			trans	101.8	134	-171.4	0	0	0	0	0	112.2	G52 V69	G47-G52 WeakPolarHBondContact O-CA 3.43Å; G47-V69 PolarHBondContact N-O 2.78Å
48	S	98.8	Very high	98.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.			trans	-107.9	22	-179.4	73.8	0	0	0	0	114	E70 L75 G76 G77	S48-E70 VanDerWaalsContact CB-OE2 3.31Å; S48-E70 WeakPolarHBondContact CB-OE2 3.25Å; S48-E70 PolarHBondContact N-OE2 3.04Å; S48-E70 VanDerWaalsContact OG-CD 3.31Å; S48-E70 WeakPolarHBondContact OG-CG 3.25Å; S48-E70 PolarHBondContact OG-OE2 2.85Å; S48-L75 VanDerWaalsContact OG-CA 3.28Å; S48-L75 WeakPolarHBondContact OG-CA 3.48Å; S48-G76 CarbonylContact O-C 3.11Å; S48-G76 VanDerWaalsContact O-C 3.26Å; S48-G76 WeakPolarHBondContact O-CA 2.87Å; S48-G76 PolarHBondContact O-N 2.64Å; S48-G76 PolarHBondContact OG-N 3.07Å; S48-G76 VanDerWaalsContact OG-N 3.14Å; S48-G77 PolarHBondContact O-N 2.71Å
49	G	98.8	Very high	98.8	Very high	13 Å²	13	17.1 Å²	17.1	13%	0.134	10%	0.095	C	C	.	.	S	Bend	trans	-60.2	174.9	167.5	0	0	0	0	0	112.3	G51 G52 Y53	G49-G51 PolarHBondContact O-N 2.87Å; G49-G52 WeakPolarHBondContact O-CA 3.45Å; G49-G52 PolarHBondContact O-N 2.86Å; G49-Y53 WeakPolarHBondContact O-CD1 3.21Å; G49-Y53 PolarHBondContact O-N 3.14Å
50	P	98.8	Very high	98.8	Very high	17 Å²	17	16.8 Å²	16.8	11%	0.11	10%	0.097	C	C	.	.	H	α-helix	trans	-37.2	-66.8	-176	-33.6	36.6	0	0	0	114.8	G52 Y53 V54 C79 A362 E366	P50-G52 VanDerWaalsContact C-N 3.28Å; P50-G52 PolarHBondContact O-N 2.58Å; P50-Y53 WeakPolarHBondContact O-CD1 3.45Å; P50-Y53 PolarHBondContact O-N 2.95Å; P50-V54 WeakPolarHBondContact O-CB 3.37Å; P50-V54 WeakPolarHBondContact O-CG2 3.39Å; P50-V54 PolarHBondContact O-N 3.1Å; P50-V54 VanDerWaalsContact O-N 3.13Å; P50-C79 HydrophobicContact CG-CB 3.53Å; P50-A362 HydrophobicContact CB-CB 4.21Å; P50-A362 HydrophobicContact CG-CB 3.97Å; P50-E366 VanDerWaalsContact C-CG 3.42Å; P50-E366 HydrophobicContact CB-CG 3.5Å
51	G	98.8	Very high	98.9	Very high	3 Å²	3	17.4 Å²	17.4	3%	0.031	10%	0.096	C	C	.	.	H	α-helix	trans	-57.4	-34.5	176.3	0	0	0	0	0	115.6	G49 A55 I352 A365	G49-G51 PolarHBondContact O-N 2.87Å; G51-A55 WeakPolarHBondContact O-CB 3.46Å; G51-A55 PolarHBondContact O-N 3.1Å; G51-I352 WeakPolarHBondContact O-CD1 3.46Å; G51-A365 WeakPolarHBondContact CA-O 3.38Å
52	G	98.9	Very high	98.9	Very high	1 Å²	1	20.5 Å²	20.5	1%	0.01	11%	0.112	C	C	.	.	H	α-helix	trans	-71	-49	-178.9	0	0	0	0	0	113.4	G47 G49 P50 A56 A181	G47-G52 WeakPolarHBondContact O-CA 3.43Å; G49-G52 WeakPolarHBondContact O-CA 3.45Å; G49-G52 PolarHBondContact O-N 2.86Å; P50-G52 VanDerWaalsContact C-N 3.28Å; P50-G52 PolarHBondContact O-N 2.58Å; G52-A56 WeakPolarHBondContact O-CB 3.28Å; G52-A56 PolarHBondContact O-N 3.07Å; G52-A181 VanDerWaalsContact CA-CB 3.45Å
53	Y	98.9	Very high	98.9	Very high	48 Å²	48	21.9 Å²	21.9	19%	0.188	13%	0.134	C	C	.	.	H	α-helix	trans	-71.9	-35.9	-179.6	87.8	-100.7	0	0	0	111.6	G49 P50 A56 I57 I137 E366	G49-Y53 WeakPolarHBondContact O-CD1 3.21Å; G49-Y53 PolarHBondContact O-N 3.14Å; P50-Y53 WeakPolarHBondContact O-CD1 3.45Å; P50-Y53 PolarHBondContact O-N 2.95Å; Y53-A56 PolarHBondContact O-N 3.44Å; Y53-I57 HydrophobicContact CD2-CD1 3.99Å; Y53-I57 HydrophobicContact CE2-CD1 4.48Å; Y53-I57 WeakPolarHBondContact O-CG1 3.38Å; Y53-I57 PolarHBondContact O-N 2.9Å; Y53-I57 VanDerWaalsContact O-N 3.12Å; Y53-I137 HydrophobicContact CD1-CD1 3.78Å; Y53-I137 HydrophobicContact CD2-CD1 4.12Å; Y53-I137 HydrophobicContact CD2-CG1 4.18Å; Y53-I137 HydrophobicContact CD2-CG2 3.87Å; Y53-I137 HydrophobicContact CE1-CD1 3.88Å; Y53-I137 HydrophobicContact CE2-CD1 4.23Å; Y53-I137 HydrophobicContact CE2-CG1 4.24Å; Y53-I137 HydrophobicContact CG-CD1 3.95Å; Y53-I137 HydrophobicContact CG-CG1 4.46Å; Y53-I137 HydrophobicContact CG-CG2 3.94Å; Y53-E366 PolarHBondContact OH-OE1 3.06Å
54	V	98.9	Very high	98.8	Very high	27 Å²	27	23.9 Å²	23.9	16%	0.164	14%	0.143	C	C	.	.	H	α-helix	trans	-67.9	-45.8	175.1	175	0	0	0	0	111.2	P50 A56 I57 K58 E366 I370	P50-V54 WeakPolarHBondContact O-CB 3.37Å; P50-V54 WeakPolarHBondContact O-CG2 3.39Å; P50-V54 PolarHBondContact O-N 3.1Å; P50-V54 VanDerWaalsContact O-N 3.13Å; V54-A56 VanDerWaalsContact C-N 3.32Å; V54-A56 PolarHBondContact O-N 3.22Å; V54-I57 PolarHBondContact O-N 2.82Å; V54-K58 WeakPolarHBondContact O-CB 3.28Å; V54-K58 PolarHBondContact O-N 2.98Å; V54-E366 HydrophobicContact CB-CB 4.38Å; V54-E366 HydrophobicContact CB-CG 4.22Å; V54-E366 HydrophobicContact CG1-CB 4.44Å; V54-E366 HydrophobicContact CG2-CB 4.18Å; V54-E366 HydrophobicContact CG2-CG 3.67Å; V54-I370 HydrophobicContact CG1-CD1 3.89Å; V54-I370 HydrophobicContact CG1-CG1 3.59Å
55	A	98.9	Very high	98.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59.1	-41.9	174.8	0	0	0	0	0	112.2	G51 I57 K58 A59 L179 I352 I373	G51-A55 WeakPolarHBondContact O-CB 3.46Å; G51-A55 PolarHBondContact O-N 3.1Å; A55-I57 VanDerWaalsContact C-N 3.34Å; A55-I57 PolarHBondContact O-N 2.65Å; A55-K58 PolarHBondContact O-N 2.97Å; A55-A59 VanDerWaalsContact O-CB 3.26Å; A55-A59 WeakPolarHBondContact O-CB 3.01Å; A55-A59 PolarHBondContact O-N 2.85Å; A55-L179 HydrophobicContact CB-CD2 3.42Å; A55-L179 VanDerWaalsContact CB-CD2 3.42Å; A55-I352 HydrophobicContact CB-CD1 4.28Å; A55-I373 HydrophobicContact CB-CG1 3.85Å
56	A	98.9	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-39.8	178.2	0	0	0	0	0	112.5	V45 G52 Y53 V54 A60 T66 C68 F141 V146	V45-A56 HydrophobicContact CB-CB 4.46Å; V45-A56 HydrophobicContact CG2-CB 3.94Å; G52-A56 WeakPolarHBondContact O-CB 3.28Å; G52-A56 PolarHBondContact O-N 3.07Å; Y53-A56 PolarHBondContact O-N 3.44Å; V54-A56 VanDerWaalsContact C-N 3.32Å; V54-A56 PolarHBondContact O-N 3.22Å; A56-A60 PolarHBondContact O-N 3.45Å; A56-T66 HydrophobicContact CB-CG2 4.1Å; A56-C68 HydrophobicContact CB-CB 4.05Å; A56-F141 HydrophobicContact CB-CE1 4.21Å; A56-F141 HydrophobicContact CB-CZ 4.16Å; A56-V146 HydrophobicContact CB-CG1 3.97Å; A56-V146 WeakPolarHBondContact O-CG2 3.19Å
57	I	98.9	Very high	98.8	Very high	18 Å²	18	28.9 Å²	28.9	9%	0.092	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-49.4	174	-72.2	166	0	0	0	110.7	Y53 V54 A55 A59 A60 Q61 L140 F141	Y53-I57 HydrophobicContact CD2-CD1 3.99Å; Y53-I57 HydrophobicContact CE2-CD1 4.48Å; Y53-I57 WeakPolarHBondContact O-CG1 3.38Å; Y53-I57 PolarHBondContact O-N 2.9Å; Y53-I57 VanDerWaalsContact O-N 3.12Å; V54-I57 PolarHBondContact O-N 2.82Å; A55-I57 VanDerWaalsContact C-N 3.34Å; A55-I57 PolarHBondContact O-N 2.65Å; I57-A59 VanDerWaalsContact C-N 3.28Å; I57-A59 PolarHBondContact O-N 3.49Å; I57-A60 PolarHBondContact O-N 3.3Å; I57-Q61 HydrophobicContact CG2-CG 4.5Å; I57-Q61 VanDerWaalsContact CG2-NE2 3.33Å; I57-Q61 WeakPolarHBondContact O-CG 3.17Å; I57-Q61 PolarHBondContact O-N 3.12Å; I57-L140 HydrophobicContact CD1-CB 3.8Å; I57-L140 HydrophobicContact CD1-CD1 4.24Å; I57-F141 HydrophobicContact CD1-CD1 4.15Å; I57-F141 HydrophobicContact CD1-CE1 4.21Å; I57-F141 HydrophobicContact CG1-CD1 3.89Å; I57-F141 HydrophobicContact CG1-CE1 3.99Å
58	K	98.9	Very high	98.9	Very high	44 Å²	44	28.4 Å²	28.4	19%	0.191	16%	0.16	C	C	.	.	H	α-helix	trans	-58.9	-39.8	179.1	-174.8	71.1	177.1	-159.7	0	111.6	V54 A55 Q61 L62 I370 I373 E374	V54-K58 WeakPolarHBondContact O-CB 3.28Å; V54-K58 PolarHBondContact O-N 2.98Å; A55-K58 PolarHBondContact O-N 2.97Å; K58-Q61 WeakPolarHBondContact O-CB 3.46Å; K58-Q61 PolarHBondContact O-N 3.02Å; K58-L62 WeakPolarHBondContact O-CG 3.36Å; K58-L62 PolarHBondContact O-N 3.38Å; K58-I370 HydrophobicContact CD-CG2 4.11Å; K58-I370 HydrophobicContact CG-CG2 4.36Å; K58-I373 HydrophobicContact CB-CG2 4.16Å; K58-I373 HydrophobicContact CG-CB 4.26Å; K58-I373 HydrophobicContact CG-CG2 3.79Å; K58-E374 WeakPolarHBondContact CE-OE1 3.49Å; K58-E374 IonicContact NZ-OE1 3.64Å; K58-E374 PolarHBondContact NZ-OE1 3.31Å
59	A	98.9	Very high	98.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-45.3	-179.2	0	0	0	0	0	111.4	V43 A55 I57 Q61 L62 G63 F64 T66 I373	V43-A59 HydrophobicContact CB-CB 4.47Å; V43-A59 HydrophobicContact CG2-CB 4.44Å; A55-A59 VanDerWaalsContact O-CB 3.26Å; A55-A59 WeakPolarHBondContact O-CB 3.01Å; A55-A59 PolarHBondContact O-N 2.85Å; I57-A59 VanDerWaalsContact C-N 3.28Å; I57-A59 PolarHBondContact O-N 3.49Å; A59-Q61 VanDerWaalsContact C-N 3.32Å; A59-Q61 PolarHBondContact O-N 3.27Å; A59-L62 CarbonylContact O-C 3.55Å; A59-L62 PolarHBondContact O-N 3.31Å; A59-G63 PolarHBondContact O-N 2.7Å; A59-F64 HydrophobicContact CB-CB 4.29Å; A59-F64 HydrophobicContact CB-CD2 4.11Å; A59-F64 WeakPolarHBondContact O-CB 2.94Å; A59-F64 WeakPolarHBondContact O-CD2 3.15Å; A59-F64 PolarHBondContact O-N 2.88Å; A59-T66 HydrophobicContact CB-CG2 4.02Å; A59-T66 VanDerWaalsContact CB-OG1 3.31Å; A59-T66 WeakPolarHBondContact CB-OG1 3.16Å; A59-I373 HydrophobicContact CB-CD1 3.88Å; A59-I373 HydrophobicContact CB-CG1 4.31Å; A59-I373 HydrophobicContact CB-CG2 3.87Å
60	A	98.8	Very high	98.9	Very high	24 Å²	24	28.3 Å²	28.3	20%	0.198	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-33.1	175	0	0	0	0	0	112.8	A56 I57 L62 G63 T66 N144 V146	A56-A60 PolarHBondContact O-N 3.45Å; I57-A60 PolarHBondContact O-N 3.3Å; A60-L62 VanDerWaalsContact C-N 3.35Å; A60-G63 PolarHBondContact O-N 2.78Å; A60-G63 VanDerWaalsContact O-N 3.07Å; A60-T66 PolarHBondContact N-OG1 2.79Å; A60-N144 HydrophobicContact CB-CB 4.41Å; A60-N144 WeakPolarHBondContact CB-O 3.19Å; A60-V146 HydrophobicContact CB-CG2 3.94Å
61	Q	98.8	Very high	98.8	Very high	113 Å²	113	32.1 Å²	32.1	53%	0.528	17%	0.171	S	C	.	.	H	α-helix	trans	-67	-32.1	173	-71.3	172.4	-2.5	0	0	113.1	I57 K58 A59 G63 N144	I57-Q61 HydrophobicContact CG2-CG 4.5Å; I57-Q61 VanDerWaalsContact CG2-NE2 3.33Å; I57-Q61 WeakPolarHBondContact O-CG 3.17Å; I57-Q61 PolarHBondContact O-N 3.12Å; K58-Q61 WeakPolarHBondContact O-CB 3.46Å; K58-Q61 PolarHBondContact O-N 3.02Å; A59-Q61 VanDerWaalsContact C-N 3.32Å; A59-Q61 PolarHBondContact O-N 3.27Å; Q61-G63 PolarHBondContact O-N 2.78Å; Q61-N144 WeakPolarHBondContact CG-OD1 3.33Å; Q61-N144 PolarHBondContact NE2-OD1 2.91Å
62	L	98.8	Very high	98.8	Very high	73 Å²	73	34.8 Å²	34.8	38%	0.382	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	6.6	170.3	-60.2	-174.2	0	0	0	113.4	K58 A59 A60 F64 I373 E374 A377	K58-L62 WeakPolarHBondContact O-CG 3.36Å; K58-L62 PolarHBondContact O-N 3.38Å; A59-L62 CarbonylContact O-C 3.55Å; A59-L62 PolarHBondContact O-N 3.31Å; A60-L62 VanDerWaalsContact C-N 3.35Å; L62-F64 HydrophobicContact CB-CD2 4.34Å; L62-F64 HydrophobicContact CB-CE2 4.37Å; L62-I373 HydrophobicContact CD1-CG2 3.93Å; L62-E374 HydrophobicContact CD1-CG 3.98Å; L62-A377 HydrophobicContact CD1-CB 3.76Å
63	G	98.6	Very high	98.7	Very high	64 Å²	64	39.2 Å²	39.2	66%	0.66	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.1	2.4	172.9	0	0	0	0	0	116	A59 A60 Q61	A59-G63 PolarHBondContact O-N 2.7Å; A60-G63 PolarHBondContact O-N 2.78Å; A60-G63 VanDerWaalsContact O-N 3.07Å; Q61-G63 PolarHBondContact O-N 2.78Å
64	F	98.8	Very high	98.7	Very high	42 Å²	42	39.8 Å²	39.8	18%	0.184	23%	0.23	C	C	.	.			trans	-72.4	131	176.9	-64.4	-59.2	0	0	0	111.7	D42 V43 A59 L62 T66 M376 A377	D42-F64 HydrophobicContact CB-CB 3.88Å; D42-F64 HydrophobicContact CB-CD1 3.75Å; D42-F64 HydrophobicContact CB-CG 4.24Å; V43-F64 HydrophobicContact CG2-CB 3.96Å; V43-F64 HydrophobicContact CG2-CD1 4.35Å; V43-F64 HydrophobicContact CG2-CD2 4.02Å; V43-F64 HydrophobicContact CG2-CG 3.87Å; A59-F64 HydrophobicContact CB-CB 4.29Å; A59-F64 HydrophobicContact CB-CD2 4.11Å; A59-F64 WeakPolarHBondContact O-CB 2.94Å; A59-F64 WeakPolarHBondContact O-CD2 3.15Å; A59-F64 PolarHBondContact O-N 2.88Å; L62-F64 HydrophobicContact CB-CD2 4.34Å; L62-F64 HydrophobicContact CB-CE2 4.37Å; F64-T66 PolarHBondContact O-N 2.69Å; F64-T66 PolarHBondContact O-OG1 3.43Å; F64-M376 HydrophobicContact CE2-CB 4.28Å; F64-M376 HydrophobicContact CZ-CB 4.19Å; F64-A377 HydrophobicContact CE2-CB 4.15Å; F64-A377 HydrophobicContact CZ-CB 4.13Å
65	K	98.9	Very high	98.7	Very high	105 Å²	105	38.9 Å²	38.9	46%	0.457	22%	0.224	S	C	.	.			trans	-65.3	101.7	168.1	-174	-174.3	178.9	-160.5	0	108.6	D40 A41 D42 V43	D40-K65 VanDerWaalsContact O-CD 3.28Å; D40-K65 WeakPolarHBondContact O-CD 3.39Å; D40-K65 WeakPolarHBondContact O-CE 3.36Å; D40-K65 PolarHBondContact O-NZ 3.12Å; A41-K65 CarbonylContact C-O 3.58Å; A41-K65 WeakPolarHBondContact CA-O 3.35Å; D42-K65 PolarHBondContact N-O 3.35Å; D42-K65 VanDerWaalsContact OD2-CB 3.28Å; D42-K65 WeakPolarHBondContact OD2-CB 3.4Å; D42-K65 PolarHBondContact OD2-N 2.7Å; V43-K65 PolarHBondContact N-O 3.12Å
66	T	98.9	Very high	98.7	Very high	4 Å²	4	39 Å²	39	3%	0.025	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.1	-164.5	-57.5	0	0	0	0	112.7	V43 V45 A56 A59 A60 F64 T147	V43-T66 HydrophobicContact CB-CG2 4.45Å; V43-T66 WeakPolarHBondContact O-CA 3.27Å; V45-T66 HydrophobicContact CG2-CG2 4.48Å; A56-T66 HydrophobicContact CB-CG2 4.1Å; A59-T66 HydrophobicContact CB-CG2 4.02Å; A59-T66 VanDerWaalsContact CB-OG1 3.31Å; A59-T66 WeakPolarHBondContact CB-OG1 3.16Å; A60-T66 PolarHBondContact N-OG1 2.79Å; F64-T66 PolarHBondContact O-N 2.69Å; F64-T66 PolarHBondContact O-OG1 3.43Å; T66-T147 PolarHBondContact O-N 3.39Å
67	V	98.9	Very high	98.6	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	139.2	171.4	179.6	0	0	0	0	109.2	I39 A41 V43 T44 V45 V69 T147 V149 I173	I39-V67 HydrophobicContact CG2-CG2 3.77Å; A41-V67 HydrophobicContact CB-CB 4.42Å; A41-V67 HydrophobicContact CB-CG2 3.73Å; V43-V67 PolarHBondContact O-N 2.8Å; T44-V67 WeakPolarHBondContact CA-O 3.14Å; T44-V67 HydrophobicContact CG2-CB 4.3Å; T44-V67 HydrophobicContact CG2-CG1 4.35Å; V45-V67 PolarHBondContact N-O 3.17Å; V67-V69 HydrophobicContact CG1-CG2 4.28Å; V67-T147 CarbonylContact C-O 3.47Å; V67-T147 WeakPolarHBondContact CA-O 3.46Å; V67-T147 HydrophobicContact CG2-CG2 4.41Å; V67-V149 HydrophobicContact CG1-CB 4.48Å; V67-V149 HydrophobicContact CG1-CG2 3.82Å; V67-I173 HydrophobicContact CB-CG2 4.37Å; V67-I173 HydrophobicContact CG1-CD1 3.8Å; V67-I173 HydrophobicContact CG1-CG1 4.38Å; V67-I173 HydrophobicContact CG1-CG2 4.42Å; V67-I173 HydrophobicContact CG2-CG2 4.16Å
68	C	98.9	Very high	98.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	123.6	169.8	-175.3	0	0	0	0	109.4	V45 A56 F141 V146 T147 H148 V149	V45-C68 WeakPolarHBondContact O-CA 3.39Å; A56-C68 HydrophobicContact CB-CB 4.05Å; C68-F141 HydrophobicContact CB-CE2 3.61Å; C68-F141 HydrophobicContact CB-CZ 3.84Å; C68-V146 HydrophobicContact CB-CG1 3.95Å; C68-T147 PolarHBondContact N-O 3.3Å; C68-H148 WeakPolarHBondContact O-CA 3.28Å; C68-V149 PolarHBondContact O-N 3.42Å
69	V	98.9	Very high	98.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	126.5	179.1	-175.3	0	0	0	0	109.6	T44 V45 G47 V67 V149 G151 A163 I173	T44-V69 HydrophobicContact CG2-CG2 4.01Å; V45-V69 PolarHBondContact O-N 2.98Å; G47-V69 PolarHBondContact N-O 2.78Å; V67-V69 HydrophobicContact CG1-CG2 4.28Å; V69-V149 WeakPolarHBondContact CA-O 3.36Å; V69-V149 HydrophobicContact CG2-CB 4.4Å; V69-G151 VanDerWaalsContact CG1-O 3.32Å; V69-G151 WeakPolarHBondContact CG1-O 3.2Å; V69-A163 HydrophobicContact CG1-CB 3.69Å; V69-I173 HydrophobicContact CG2-CD1 3.54Å
70	E	98.8	Very high	98.5	Very high	9 Å²	9	40.2 Å²	40.2	4%	0.042	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138	175.4	177.4	53.4	-107	0	0	110.2	S48 N72 L75 V149 N150 G151	S48-E70 VanDerWaalsContact CB-OE2 3.31Å; S48-E70 WeakPolarHBondContact CB-OE2 3.25Å; S48-E70 PolarHBondContact N-OE2 3.04Å; S48-E70 VanDerWaalsContact OG-CD 3.31Å; S48-E70 WeakPolarHBondContact OG-CG 3.25Å; S48-E70 PolarHBondContact OG-OE2 2.85Å; E70-N72 HydrophobicContact CG-CB 4.23Å; E70-N72 WeakPolarHBondContact OE1-CB 3.12Å; E70-N72 PolarHBondContact OE1-N 2.96Å; E70-N72 PolarHBondContact OE1-ND2 3.37Å; E70-L75 HydrophobicContact CB-CD2 4.01Å; E70-L75 HydrophobicContact CG-CD2 4.28Å; E70-V149 PolarHBondContact N-O 3.04Å; E70-N150 CarbonylContact O-C 3.6Å; E70-N150 VanDerWaalsContact O-CA 3.3Å; E70-N150 WeakPolarHBondContact O-CA 3.5Å; E70-N150 PolarHBondContact O-OD1 3.34Å; E70-G151 CarbonylContact C-O 3.58Å; E70-G151 PolarHBondContact O-N 2.83Å
71	K	98.3	Very high	98.5	Very high	98 Å²	98	40.8 Å²	40.8	43%	0.426	24%	0.238	S	C	.	.			trans	-92.4	-18.6	-178.7	69.7	175.2	-176.4	64	0	113.4	F152	K71-F152 HydrophobicContact CB-CB 4.4Å; K71-F152 HydrophobicContact CB-CD2 4.21Å; K71-F152 HydrophobicContact CD-CD2 3.69Å; K71-F152 HydrophobicContact CD-CE2 3.78Å
72	N	98.1	Very high	98.4	Very high	58 Å²	58	37.8 Å²	37.8	31%	0.31	23%	0.227	S	C	.	.	S	Bend	trans	-86.9	160.9	-178.1	-55.2	-40.3	0	0	0	110.9	E70 T74	E70-N72 HydrophobicContact CG-CB 4.23Å; E70-N72 WeakPolarHBondContact OE1-CB 3.12Å; E70-N72 PolarHBondContact OE1-N 2.96Å; E70-N72 PolarHBondContact OE1-ND2 3.37Å; N72-T74 PolarHBondContact O-N 2.64Å
73	A	97.4	Very high	98.4	Very high	95 Å²	95	35.2 Å²	35.2	79%	0.785	22%	0.219	S	C	*	.	S	Bend	trans	-66.2	-16.9	179	0	0	0	0	0	114.4
74	T	98.4	Very high	98.3	Very high	60 Å²	60	34.2 Å²	34.2	37%	0.368	20%	0.201	S	C	.	.	S	Bend	trans	-137.8	150.4	-177	41.5	0	0	0	0	111.4	N72 N81 T134	N72-T74 PolarHBondContact O-N 2.64Å; T74-N81 PolarHBondContact OG1-OD1 3.45Å; T74-T134 HydrophobicContact CG2-CG2 4.37Å
75	L	98.7	Very high	98.3	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.042	21%	0.206	C	C	.	.	S	Bend	trans	-75.5	172.6	177.4	-61.3	171.6	0	0	0	112.1	S48 E70 N81 I137 A138 F141	S48-L75 VanDerWaalsContact OG-CA 3.28Å; S48-L75 WeakPolarHBondContact OG-CA 3.48Å; E70-L75 HydrophobicContact CB-CD2 4.01Å; E70-L75 HydrophobicContact CG-CD2 4.28Å; L75-N81 PolarHBondContact O-ND2 2.79Å; L75-I137 HydrophobicContact CB-CB 4.22Å; L75-I137 HydrophobicContact CB-CG2 3.9Å; L75-I137 HydrophobicContact CD1-CB 4.4Å; L75-I137 HydrophobicContact CD1-CG2 3.84Å; L75-I137 HydrophobicContact CG-CG2 4.5Å; L75-A138 HydrophobicContact CD1-CB 4.23Å; L75-F141 HydrophobicContact CD1-CD2 3.67Å; L75-F141 HydrophobicContact CD1-CE2 3.76Å; L75-F141 HydrophobicContact CD1-CG 4.34Å; L75-F141 HydrophobicContact CD1-CZ 4.49Å; L75-F141 HydrophobicContact CD2-CE2 3.95Å
76	G	98.2	Very high	98.2	Very high	1 Å²	1	30 Å²	30	1%	0.01	19%	0.185	C	C	.	.	S	Bend	trans	91.2	0.2	174.4	0	0	0	0	0	115.1	S48 L80	S48-G76 CarbonylContact O-C 3.11Å; S48-G76 VanDerWaalsContact O-C 3.26Å; S48-G76 WeakPolarHBondContact O-CA 2.87Å; S48-G76 PolarHBondContact O-N 2.64Å; S48-G76 PolarHBondContact OG-N 3.07Å; S48-G76 VanDerWaalsContact OG-N 3.14Å; G76-L80 WeakPolarHBondContact O-CB 3.16Å; G76-L80 PolarHBondContact O-N 3.3Å
77	G	98.4	Very high	98.2	Very high	8 Å²	8	30.2 Å²	30.2	8%	0.082	19%	0.187	C	C	.	.	H	α-helix	trans	50.9	-146.5	174	0	0	0	0	0	114.7	S48 N81	S48-G77 PolarHBondContact O-N 2.71Å; G77-N81 WeakPolarHBondContact O-CB 3.46Å; G77-N81 PolarHBondContact O-N 2.89Å; G77-N81 PolarHBondContact O-ND2 3.39Å
78	T	98.3	Very high	98.2	Very high	44 Å²	44	32.9 Å²	32.9	27%	0.27	20%	0.198	S	C	.	.	H	α-helix	trans	-59.3	-51.1	-176.5	-47.3	0	0	0	0	112.9	L80 N81 V82 G83	T78-L80 VanDerWaalsContact C-N 3.32Å; T78-L80 PolarHBondContact O-N 3.19Å; T78-N81 PolarHBondContact O-N 3.13Å; T78-V82 HydrophobicContact CG2-CG2 3.94Å; T78-V82 CarbonylContact O-C 3.37Å; T78-V82 PolarHBondContact O-N 2.88Å; T78-G83 PolarHBondContact O-N 3.28Å
79	C	97.6	Very high	98.2	Very high	23 Å²	23	33.6 Å²	33.6	16%	0.155	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-38.9	-169.7	-177.5	0	0	0	0	112.6	P50 G83 C84 I85 A362	P50-C79 HydrophobicContact CG-CB 3.53Å; C79-G83 CarbonylContact O-C 3.54Å; C79-C84 WeakPolarHBondContact CA-SG 3.44Å; C79-C84 HydrophobicContact CB-CB 4.19Å; C79-C84 WeakPolarHBondContact CB-SG 3.48Å; C79-C84 WeakPolarHBondContact O-CA 3.41Å; C79-C84 WeakPolarHBondContact O-CB 3.43Å; C79-C84 PolarHBondContact O-N 3.25Å; C79-C84 WeakPolarHBondContact SG-CB 3.46Å; C79-C84 CovalentContact SG-SG 2.04Å; C79-C84 PolarHBondContact SG-SG 2.95Å; C79-I85 PolarHBondContact O-N 3.37Å; C79-A362 HydrophobicContact CB-CB 4.49Å; C79-A362 VanDerWaalsContact SG-CB 3.55Å
80	L	97.4	Very high	98.2	Very high	14 Å²	14	33.6 Å²	33.6	7%	0.073	20%	0.204	C	C	.	.	H	α-helix	trans	-81.9	-42.5	178.8	180	51.7	0	0	0	112.9	G76 T78 I85 P86 V130 L133 T134 I137	G76-L80 WeakPolarHBondContact O-CB 3.16Å; G76-L80 PolarHBondContact O-N 3.3Å; T78-L80 VanDerWaalsContact C-N 3.32Å; T78-L80 PolarHBondContact O-N 3.19Å; L80-I85 HydrophobicContact CD1-CB 4.02Å; L80-I85 HydrophobicContact CD1-CG1 3.69Å; L80-I85 HydrophobicContact CD1-CG2 4.16Å; L80-P86 WeakPolarHBondContact O-CD 3.42Å; L80-V130 WeakPolarHBondContact O-CG2 3.08Å; L80-L133 HydrophobicContact CD1-CB 3.55Å; L80-L133 HydrophobicContact CD1-CD1 4.13Å; L80-L133 HydrophobicContact CD2-CB 4.25Å; L80-T134 HydrophobicContact CD2-CG2 3.47Å; L80-T134 VanDerWaalsContact CD2-CG2 3.47Å; L80-T134 HydrophobicContact CG-CG2 3.71Å; L80-I137 HydrophobicContact CD2-CD1 3.55Å; L80-I137 HydrophobicContact CD2-CG1 4.4Å
81	N	98.4	Very high	98.2	Very high	36 Å²	36	33.5 Å²	33.5	19%	0.193	20%	0.204	C	C	.	.	H	α-helix	trans	-89.9	-35.9	-169	-63.1	-87.1	0	0	0	113.7	T74 L75 G77 T78 T134	T74-N81 PolarHBondContact OG1-OD1 3.45Å; L75-N81 PolarHBondContact O-ND2 2.79Å; G77-N81 WeakPolarHBondContact O-CB 3.46Å; G77-N81 PolarHBondContact O-N 2.89Å; G77-N81 PolarHBondContact O-ND2 3.39Å; T78-N81 PolarHBondContact O-N 3.13Å; N81-T134 WeakPolarHBondContact OD1-CG2 3.35Å
82	V	97.9	Very high	98.2	Very high	49 Å²	49	32.7 Å²	32.7	30%	0.297	20%	0.204	S	C	.	.	S	Bend	trans	-144.3	26.1	-169.1	-62.3	0	0	0	0	113.4	T78 T203 L206	T78-V82 HydrophobicContact CG2-CG2 3.94Å; T78-V82 CarbonylContact O-C 3.37Å; T78-V82 PolarHBondContact O-N 2.88Å; V82-T203 HydrophobicContact CB-CG2 4.26Å; V82-T203 HydrophobicContact CG1-CG2 3.81Å; V82-L206 WeakPolarHBondContact O-CD1 3.44Å
83	G	97.6	Very high	98.2	Very high	20 Å²	20	31 Å²	31	21%	0.206	20%	0.195	C	C	.	.	S	Bend	trans	-145.9	-118.2	-173.2	0	0	0	0	0	113	T78 C79 I85 P86 S87	T78-G83 PolarHBondContact O-N 3.28Å; C79-G83 CarbonylContact O-C 3.54Å; G83-I85 PolarHBondContact O-N 3.39Å; G83-P86 WeakPolarHBondContact O-CD 3.28Å; G83-P86 WeakPolarHBondContact O-CG 3.34Å; G83-S87 WeakPolarHBondContact O-CB 3.42Å; G83-S87 PolarHBondContact O-N 2.9Å; G83-S87 PolarHBondContact O-OG 2.9Å
84	C	97.1	Very high	98.3	Very high	43 Å²	43	26.5 Å²	26.5	29%	0.291	16%	0.158	S	C	.	.	H	α-helix	trans	-44.3	-64.1	-175.4	-39.5	0	0	0	0	113.7	C79 S87 K88	C79-C84 WeakPolarHBondContact CA-SG 3.44Å; C79-C84 HydrophobicContact CB-CB 4.19Å; C79-C84 WeakPolarHBondContact CB-SG 3.48Å; C79-C84 WeakPolarHBondContact O-CA 3.41Å; C79-C84 WeakPolarHBondContact O-CB 3.43Å; C79-C84 PolarHBondContact O-N 3.25Å; C79-C84 WeakPolarHBondContact SG-CB 3.46Å; C79-C84 CovalentContact SG-SG 2.04Å; C79-C84 PolarHBondContact SG-SG 2.95Å; C84-S87 PolarHBondContact O-N 3.37Å; C84-S87 PolarHBondContact O-OG 2.61Å; C84-K88 WeakPolarHBondContact O-CB 3.49Å; C84-K88 WeakPolarHBondContact O-CD 3.4Å; C84-K88 PolarHBondContact O-N 2.78Å
85	I	98.2	Very high	98.3	Very high	55 Å²	55	25.6 Å²	25.6	28%	0.282	15%	0.149	S	C	.	.	H	α-helix	trans	-63	-50.2	-172.1	-60.3	-53.2	0	0	0	112.6	C79 L80 G83 S87 K88 A89 V130 L133	C79-I85 PolarHBondContact O-N 3.37Å; L80-I85 HydrophobicContact CD1-CB 4.02Å; L80-I85 HydrophobicContact CD1-CG1 3.69Å; L80-I85 HydrophobicContact CD1-CG2 4.16Å; G83-I85 PolarHBondContact O-N 3.39Å; I85-S87 PolarHBondContact O-N 2.85Å; I85-K88 PolarHBondContact O-N 2.85Å; I85-A89 WeakPolarHBondContact O-CB 3.31Å; I85-A89 PolarHBondContact O-N 2.82Å; I85-V130 HydrophobicContact CG2-CG2 4.05Å; I85-L133 HydrophobicContact CD1-CD1 4.2Å; I85-L133 HydrophobicContact CG1-CD1 4.18Å; I85-L133 HydrophobicContact CG2-CD1 3.86Å
86	P	98.3	Very high	98.3	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-66.3	-32.3	177.4	23.9	-33.6	0	0	0	113.5	L80 G83 L90 K126 V130 L206	L80-P86 WeakPolarHBondContact O-CD 3.42Å; G83-P86 WeakPolarHBondContact O-CD 3.28Å; G83-P86 WeakPolarHBondContact O-CG 3.34Å; P86-L90 WeakPolarHBondContact O-CG 3.44Å; P86-L90 PolarHBondContact O-N 2.99Å; P86-K126 HydrophobicContact CB-CD 3.79Å; P86-K126 HydrophobicContact CB-CG 3.77Å; P86-V130 HydrophobicContact CB-CG2 4.27Å; P86-V130 HydrophobicContact CG-CG2 4.47Å; P86-L206 HydrophobicContact CB-CD1 4.09Å; P86-L206 HydrophobicContact CB-CD2 4.17Å; P86-L206 HydrophobicContact CG-CD1 3.8Å
87	S	98.2	Very high	98.3	Very high	9 Å²	9	31 Å²	31	6%	0.063	18%	0.175	C	C	.	.	H	α-helix	trans	-70.2	-42.4	174.9	77.1	0	0	0	0	111.8	G83 C84 I85 A89 L90 L91 E226	G83-S87 WeakPolarHBondContact O-CB 3.42Å; G83-S87 PolarHBondContact O-N 2.9Å; G83-S87 PolarHBondContact O-OG 2.9Å; C84-S87 PolarHBondContact O-N 3.37Å; C84-S87 PolarHBondContact O-OG 2.61Å; I85-S87 PolarHBondContact O-N 2.85Å; S87-A89 PolarHBondContact O-N 2.81Å; S87-L90 PolarHBondContact O-N 2.95Å; S87-L91 WeakPolarHBondContact O-CB 3.44Å; S87-L91 WeakPolarHBondContact O-CD1 3.29Å; S87-L91 VanDerWaalsContact O-CG 3.26Å; S87-L91 WeakPolarHBondContact O-CG 3.42Å; S87-L91 PolarHBondContact O-N 2.85Å; S87-E226 PolarHBondContact OG-OE2 3.33Å
88	K	98.7	Very high	98.3	Very high	58 Å²	58	34.6 Å²	34.6	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-66.4	-38.1	-179.7	-86.3	67.3	-164.1	162.8	0	112	C84 I85 L91 N92 E226 Y393	C84-K88 WeakPolarHBondContact O-CB 3.49Å; C84-K88 WeakPolarHBondContact O-CD 3.4Å; C84-K88 PolarHBondContact O-N 2.78Å; I85-K88 PolarHBondContact O-N 2.85Å; K88-L91 HydrophobicContact CD-CD1 4.45Å; K88-L91 PolarHBondContact O-N 3.47Å; K88-N92 WeakPolarHBondContact O-CB 3.42Å; K88-N92 PolarHBondContact O-N 3.45Å; K88-E226 IonicContact NZ-OE1 2.7Å; K88-E226 PolarHBondContact NZ-OE1 3.4Å; K88-E226 IonicContact NZ-OE2 2.78Å; K88-E226 PolarHBondContact NZ-OE2 2.99Å; K88-Y393 HydrophobicContact CD-CD2 4.37Å; K88-Y393 HydrophobicContact CD-CG 4.35Å; K88-Y393 VanDerWaalsContact CE-CE2 3.4Å; K88-Y393 HydrophobicContact CG-CD1 4.34Å; K88-Y393 HydrophobicContact CG-CG 4.31Å; K88-Y393 VanDerWaalsContact NZ-CD2 3.28Å
89	A	98.8	Very high	98.3	Very high	14 Å²	14	34.4 Å²	34.4	12%	0.116	19%	0.185	C	C	.	.	H	α-helix	trans	-59	-47.4	171.4	0	0	0	0	0	112.1	I85 S87 N93 K126	I85-A89 WeakPolarHBondContact O-CB 3.31Å; I85-A89 PolarHBondContact O-N 2.82Å; S87-A89 PolarHBondContact O-N 2.81Å; A89-N93 WeakPolarHBondContact O-CB 3.36Å; A89-N93 PolarHBondContact O-N 3.22Å; A89-N93 PolarHBondContact O-ND2 2.88Å; A89-N93 PolarHBondContact O-OD1 3.33Å; A89-K126 HydrophobicContact CB-CB 4.24Å; A89-K126 HydrophobicContact CB-CG 4.24Å
90	L	98.9	Very high	98.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-71.8	-33.6	178.8	-66.9	-177.9	0	0	0	113.3	P86 S87 N93 S94 M122 M123 K126 L206 V230	P86-L90 WeakPolarHBondContact O-CG 3.44Å; P86-L90 PolarHBondContact O-N 2.99Å; S87-L90 PolarHBondContact O-N 2.95Å; L90-N93 PolarHBondContact O-N 3.11Å; L90-S94 WeakPolarHBondContact O-CB 3.4Å; L90-S94 PolarHBondContact O-N 2.86Å; L90-S94 PolarHBondContact O-OG 2.9Å; L90-M122 HydrophobicContact CD2-CG 3.94Å; L90-M122 HydrophobicContact CD2-SD 4.28Å; L90-M123 HydrophobicContact CD1-CE 3.98Å; L90-M123 HydrophobicContact CD1-SD 4.21Å; L90-M123 HydrophobicContact CD2-CE 4.39Å; L90-M123 HydrophobicContact CD2-SD 4.15Å; L90-K126 HydrophobicContact CD1-CD 4.03Å; L90-K126 HydrophobicContact CD2-CB 4.27Å; L90-K126 HydrophobicContact CD2-CD 4.32Å; L90-K126 HydrophobicContact CG-CD 4.04Å; L90-K126 HydrophobicContact CG-CG 4.29Å; L90-L206 HydrophobicContact CD1-CD2 4Å; L90-V230 HydrophobicContact CB-CG1 3.88Å; L90-V230 HydrophobicContact CB-CG2 4.07Å
91	L	98.9	Very high	98.3	Very high	7 Å²	7	39.1 Å²	39.1	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-61.1	-47.7	173.5	-78.6	160.4	0	0	0	111.5	S87 K88 S94 H95 E226 V230 R233 Y393	S87-L91 WeakPolarHBondContact O-CB 3.44Å; S87-L91 WeakPolarHBondContact O-CD1 3.29Å; S87-L91 VanDerWaalsContact O-CG 3.26Å; S87-L91 WeakPolarHBondContact O-CG 3.42Å; S87-L91 PolarHBondContact O-N 2.85Å; K88-L91 HydrophobicContact CD-CD1 4.45Å; K88-L91 PolarHBondContact O-N 3.47Å; L91-S94 PolarHBondContact O-OG 2.71Å; L91-H95 VanDerWaalsContact O-CB 3.22Å; L91-H95 WeakPolarHBondContact O-CB 3.35Å; L91-H95 PolarHBondContact O-N 3.44Å; L91-E226 HydrophobicContact CD1-CB 4.08Å; L91-E226 HydrophobicContact CD1-CG 3.88Å; L91-E226 HydrophobicContact CD2-CB 4.28Å; L91-E226 HydrophobicContact CD2-CG 4.45Å; L91-V230 HydrophobicContact CD2-CG2 3.79Å; L91-V230 HydrophobicContact CG-CG2 3.83Å; L91-R233 PolarHBondContact O-NH1 2.93Å; L91-Y393 WeakPolarHBondContact CD1-O 3.46Å; L91-Y393 WeakPolarHBondContact CD2-O 3.46Å
92	N	98.9	Very high	98.1	Very high	81 Å²	81	38.9 Å²	38.9	43%	0.433	21%	0.214	S	C	.	.	H	α-helix	trans	-59.9	-53.7	173.3	174.9	80.4	0	0	0	111.6	K88 S94 H95 L96	K88-N92 WeakPolarHBondContact O-CB 3.42Å; K88-N92 PolarHBondContact O-N 3.45Å; N92-S94 PolarHBondContact O-N 3.5Å; N92-H95 WeakPolarHBondContact O-CB 3.48Å; N92-H95 PolarHBondContact O-N 3.45Å; N92-L96 WeakPolarHBondContact O-CG 3.43Å; N92-L96 PolarHBondContact O-N 2.77Å
93	N	98.9	Very high	97.9	Very high	24 Å²	24	44.2 Å²	44.2	13%	0.128	23%	0.233	C	C	.	.	H	α-helix	trans	-66.9	-36.7	-173.1	-61.9	-12.3	0	0	0	112.3	A89 L90 Y97 M122 Q125	A89-N93 WeakPolarHBondContact O-CB 3.36Å; A89-N93 PolarHBondContact O-N 3.22Å; A89-N93 PolarHBondContact O-ND2 2.88Å; A89-N93 PolarHBondContact O-OD1 3.33Å; L90-N93 PolarHBondContact O-N 3.11Å; N93-Y97 WeakPolarHBondContact O-CB 3.46Å; N93-Y97 PolarHBondContact O-N 2.81Å; N93-M122 HydrophobicContact CB-CE 3.95Å; N93-M122 HydrophobicContact CB-CG 3.71Å; N93-M122 HydrophobicContact CB-SD 3.78Å; N93-Q125 PolarHBondContact ND2-OE1 2.83Å
94	S	98.9	Very high	97.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-72.9	-31.2	174.5	64	0	0	0	0	113	L90 L91 N92 K98	L90-S94 WeakPolarHBondContact O-CB 3.4Å; L90-S94 PolarHBondContact O-N 2.86Å; L90-S94 PolarHBondContact O-OG 2.9Å; L91-S94 PolarHBondContact O-OG 2.71Å; N92-S94 PolarHBondContact O-N 3.5Å; S94-K98 VanDerWaalsContact O-CB 3.28Å; S94-K98 WeakPolarHBondContact O-CB 3.43Å; S94-K98 PolarHBondContact O-N 3.36Å
95	H	98.8	Very high	98	Very high	40 Å²	40	45.5 Å²	45.5	19%	0.185	23%	0.23	C	C	.	.	H	α-helix	trans	-66.1	-49.1	171.8	174	46.3	0	0	0	111.4	L91 N92 Y97 K98 M99 H395	L91-H95 VanDerWaalsContact O-CB 3.22Å; L91-H95 WeakPolarHBondContact O-CB 3.35Å; L91-H95 PolarHBondContact O-N 3.44Å; N92-H95 WeakPolarHBondContact O-CB 3.48Å; N92-H95 PolarHBondContact O-N 3.45Å; H95-Y97 VanDerWaalsContact C-N 3.33Å; H95-Y97 PolarHBondContact O-N 2.83Å; H95-K98 CarbonylContact O-C 3.59Å; H95-K98 WeakPolarHBondContact O-CA 3.36Å; H95-K98 WeakPolarHBondContact O-CB 3.48Å; H95-K98 PolarHBondContact O-N 3.43Å; H95-M99 VanDerWaalsContact CE1-SD 3.52Å; H95-M99 WeakPolarHBondContact O-CG 3.4Å; H95-M99 PolarHBondContact O-N 3.17Å; H95-H395 AromaticContact CE1-CD2 3.37Å; H95-H395 PolarHBondContact CE1-CD2 3.3Å; H95-H395 AromaticContact CE1-CE1 3.52Å; H95-H395 AromaticContact CE1-CG 3.45Å; H95-H395 VanDerWaalsContact CE1-CG 3.45Å; H95-H395 AromaticContact CE1-ND1 3.55Å; H95-H395 AromaticContact CE1-NE2 3.41Å; H95-H395 PolarHBondContact CE1-NE2 3.4Å; H95-H395 AromaticContact ND1-CD2 3.76Å; H95-H395 AromaticContact ND1-CG 3.77Å; H95-H395 AromaticContact NE2-CE1 3.74Å; H95-H395 AromaticContact NE2-CG 3.88Å; H95-H395 AromaticContact NE2-ND1 3.6Å
96	L	98.6	Very high	97.9	Very high	85 Å²	85	48.8 Å²	48.8	45%	0.445	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-42.8	175.7	-67.8	173	0	0	0	112	N92 K98 M99 A100	N92-L96 WeakPolarHBondContact O-CG 3.43Å; N92-L96 PolarHBondContact O-N 2.77Å; L96-K98 VanDerWaalsContact C-N 3.35Å; L96-K98 PolarHBondContact O-N 2.89Å; L96-M99 PolarHBondContact O-N 3.18Å; L96-A100 PolarHBondContact O-N 3.43Å; L96-A100 VanDerWaalsContact O-N 3.09Å
97	Y	98.6	Very high	97.9	Very high	39 Å²	39	53 Å²	53	15%	0.153	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-43.8	172.2	177.2	-101.9	0	0	0	112.1	N93 H95 M99 A100 H101 I115 L117 R233 L234	N93-Y97 WeakPolarHBondContact O-CB 3.46Å; N93-Y97 PolarHBondContact O-N 2.81Å; H95-Y97 VanDerWaalsContact C-N 3.33Å; H95-Y97 PolarHBondContact O-N 2.83Å; Y97-M99 VanDerWaalsContact C-N 3.34Å; Y97-M99 PolarHBondContact O-N 2.99Å; Y97-A100 PolarHBondContact O-N 3.49Å; Y97-H101 HydrophobicContact CE1-CB 4.35Å; Y97-H101 HydrophobicContact CE2-CB 4.23Å; Y97-H101 AromaticContact CE2-CD2 3.94Å; Y97-H101 AromaticContact CZ-CD2 3.57Å; Y97-H101 VanDerWaalsContact O-CB 3.24Å; Y97-H101 WeakPolarHBondContact O-CB 3.49Å; Y97-H101 PolarHBondContact O-N 2.89Å; Y97-H101 PolarHBondContact OH-CD2 2.87Å; Y97-I115 HydrophobicContact CD2-CG2 4.49Å; Y97-I115 HydrophobicContact CE2-CG2 4.12Å; Y97-L117 HydrophobicContact CD2-CD1 4.43Å; Y97-L117 HydrophobicContact CE2-CB 3.84Å; Y97-L117 HydrophobicContact CE2-CD1 4.48Å; Y97-R233 WeakPolarHBondContact CD1-O 3.44Å; Y97-L234 HydrophobicContact CD1-CD2 3.88Å; Y97-L234 HydrophobicContact CE1-CD2 4.45Å; Y97-L234 HydrophobicContact CG-CD2 4.28Å
98	K	97.9	Very high	97.9	Very high	83 Å²	83	57.1 Å²	57.1	36%	0.361	29%	0.288	S	S	.	.	H	α-helix	trans	-65.9	-31.8	178.3	-176.2	64.4	172.1	-164.8	0	113.4	S94 H95 L96 G102 R233	S94-K98 VanDerWaalsContact O-CB 3.28Å; S94-K98 WeakPolarHBondContact O-CB 3.43Å; S94-K98 PolarHBondContact O-N 3.36Å; H95-K98 CarbonylContact O-C 3.59Å; H95-K98 WeakPolarHBondContact O-CA 3.36Å; H95-K98 WeakPolarHBondContact O-CB 3.48Å; H95-K98 PolarHBondContact O-N 3.43Å; L96-K98 VanDerWaalsContact C-N 3.35Å; L96-K98 PolarHBondContact O-N 2.89Å; K98-G102 VanDerWaalsContact O-CA 3.25Å; K98-G102 WeakPolarHBondContact O-CA 3.49Å; K98-G102 PolarHBondContact O-N 3.34Å; K98-R233 HydrophobicContact CB-CB 4.15Å; K98-R233 HydrophobicContact CB-CG 4.09Å; K98-R233 HydrophobicContact CG-CG 4.16Å
99	M	98	Very high	97.9	Very high	40 Å²	40	57.3 Å²	57.3	20%	0.197	31%	0.307	C	S	.	.	H	α-helix	trans	-70.9	-46.9	174.5	-65.6	175.2	80.2	0	0	111.3	H95 L96 Y97 G102 D104 F105	H95-M99 VanDerWaalsContact CE1-SD 3.52Å; H95-M99 WeakPolarHBondContact O-CG 3.4Å; H95-M99 PolarHBondContact O-N 3.17Å; L96-M99 PolarHBondContact O-N 3.18Å; Y97-M99 VanDerWaalsContact C-N 3.34Å; Y97-M99 PolarHBondContact O-N 2.99Å; M99-G102 PolarHBondContact O-N 2.99Å; M99-D104 HydrophobicContact CB-CB 4.15Å; M99-D104 WeakPolarHBondContact CE-OD1 3.47Å; M99-D104 HydrophobicContact CG-CB 4.47Å; M99-F105 HydrophobicContact CB-CD1 3.8Å; M99-F105 HydrophobicContact CB-CE1 3.57Å; M99-F105 HydrophobicContact CB-CZ 4.48Å; M99-F105 HydrophobicContact CE-CE1 4.23Å; M99-F105 PolarHBondContact O-N 3.28Å
100	A	97.9	Very high	97.9	Very high	25 Å²	25	60.4 Å²	60.4	21%	0.207	32%	0.32	C	S	.	.	H	α-helix	trans	-72.4	-44.2	-177.1	0	0	0	0	0	113.2	L96 Y97 G102 F105 I115	L96-A100 PolarHBondContact O-N 3.43Å; L96-A100 VanDerWaalsContact O-N 3.09Å; Y97-A100 PolarHBondContact O-N 3.49Å; A100-G102 VanDerWaalsContact C-N 3.28Å; A100-F105 HydrophobicContact CB-CD2 3.82Å; A100-F105 HydrophobicContact CB-CE2 3.8Å; A100-F105 HydrophobicContact CB-CG 4.33Å; A100-F105 HydrophobicContact CB-CZ 4.29Å; A100-I115 VanDerWaalsContact C-CD1 3.42Å; A100-I115 HydrophobicContact CB-CD1 3.85Å; A100-I115 WeakPolarHBondContact O-CD1 3.23Å
101	H	96.6	Very high	97.8	Very high	111 Å²	111	69 Å²	69	51%	0.514	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-10.2	175.2	-166.8	-60.3	0	0	0	112.2	Y97 I115	Y97-H101 HydrophobicContact CE1-CB 4.35Å; Y97-H101 HydrophobicContact CE2-CB 4.23Å; Y97-H101 AromaticContact CE2-CD2 3.94Å; Y97-H101 AromaticContact CZ-CD2 3.57Å; Y97-H101 VanDerWaalsContact O-CB 3.24Å; Y97-H101 WeakPolarHBondContact O-CB 3.49Å; Y97-H101 PolarHBondContact O-N 2.89Å; Y97-H101 PolarHBondContact OH-CD2 2.87Å; H101-I115 HydrophobicContact CB-CG2 4.11Å
102	G	93.9	Very high	97.6	Very high	30 Å²	30	73.1 Å²	73.1	31%	0.309	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-165	173	0	0	0	0	0	112.4	K98 M99 A100 D104	K98-G102 VanDerWaalsContact O-CA 3.25Å; K98-G102 WeakPolarHBondContact O-CA 3.49Å; K98-G102 PolarHBondContact O-N 3.34Å; M99-G102 PolarHBondContact O-N 2.99Å; A100-G102 VanDerWaalsContact C-N 3.28Å; G102-D104 VanDerWaalsContact C-N 3.35Å
103	K	95.1	Very high	97.4	Very high	162 Å²	162	74.9 Å²	74.9	70%	0.704	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	1.5	173.2	-61.6	-163.2	168.6	-158.8	0	113.6	S107	K103-S107 VanDerWaalsContact O-CB 3.24Å; K103-S107 WeakPolarHBondContact O-CB 3.44Å; K103-S107 PolarHBondContact O-N 3.35Å; K103-S107 PolarHBondContact O-OG 2.87Å
104	D	97.6	Very high	97.1	Very high	41 Å²	41	77.3 Å²	77.3	22%	0.219	43%	0.431	C	S	.	.	H	α-helix	trans	-68	-54.6	-174.5	179.1	-83.2	0	0	0	110.8	M99 G102 E106 S107 R108	M99-D104 HydrophobicContact CB-CB 4.15Å; M99-D104 WeakPolarHBondContact CE-OD1 3.47Å; M99-D104 HydrophobicContact CG-CB 4.47Å; G102-D104 VanDerWaalsContact C-N 3.35Å; D104-E106 PolarHBondContact O-N 3.49Å; D104-S107 PolarHBondContact O-N 2.87Å; D104-S107 PolarHBondContact O-OG 2.85Å; D104-R108 VanDerWaalsContact CG-NE 3.34Å; D104-R108 WeakPolarHBondContact O-CG 3.42Å; D104-R108 PolarHBondContact O-N 2.84Å; D104-R108 IonicContact OD1-CZ 3.01Å; D104-R108 IonicContact OD1-NE 2.72Å; D104-R108 PolarHBondContact OD1-NE 3.14Å; D104-R108 IonicContact OD1-NH2 4Å; D104-R108 IonicContact OD2-CZ 2.7Å; D104-R108 IonicContact OD2-NE 3.31Å; D104-R108 PolarHBondContact OD2-NE 2.97Å; D104-R108 IonicContact OD2-NH2 2.98Å; D104-R108 PolarHBondContact OD2-NH2 3.18Å
105	F	98.2	Very high	96.9	Very high	48 Å²	48	79.9 Å²	79.9	21%	0.211	44%	0.444	C	S	.	.	H	α-helix	trans	-63	-42	178.2	-83.9	29	0	0	0	112	M99 A100 S107 R108 G109 I110 I112	M99-F105 HydrophobicContact CB-CD1 3.8Å; M99-F105 HydrophobicContact CB-CE1 3.57Å; M99-F105 HydrophobicContact CB-CZ 4.48Å; M99-F105 HydrophobicContact CE-CE1 4.23Å; M99-F105 PolarHBondContact O-N 3.28Å; A100-F105 HydrophobicContact CB-CD2 3.82Å; A100-F105 HydrophobicContact CB-CE2 3.8Å; A100-F105 HydrophobicContact CB-CG 4.33Å; A100-F105 HydrophobicContact CB-CZ 4.29Å; F105-S107 VanDerWaalsContact C-N 3.35Å; F105-S107 PolarHBondContact O-N 2.82Å; F105-R108 PolarHBondContact O-N 2.94Å; F105-G109 PolarHBondContact O-N 2.69Å; F105-I110 CarbonylContact C-O 3.53Å; F105-I110 HydrophobicContact CB-CB 4.05Å; F105-I110 HydrophobicContact CB-CG2 4.39Å; F105-I110 HydrophobicContact CD2-CB 4.35Å; F105-I110 HydrophobicContact CD2-CG2 3.84Å; F105-I110 HydrophobicContact CG-CB 4.37Å; F105-I110 HydrophobicContact CG-CG2 4.36Å; F105-I110 WeakPolarHBondContact O-CA 3.35Å; F105-I110 WeakPolarHBondContact O-CB 3.42Å; F105-I110 PolarHBondContact O-N 3Å; F105-I112 HydrophobicContact CD2-CD1 3.77Å; F105-I112 HydrophobicContact CE2-CD1 4.21Å
106	E	97.3	Very high	96.8	Very high	124 Å²	124	82.8 Å²	82.8	58%	0.579	47%	0.469	S	S	*	.	H	α-helix	trans	-53.3	-49.1	172	-176.4	-171.4	-163.9	0	0	111.3	D104 R108 G109	D104-E106 PolarHBondContact O-N 3.49Å; E106-R108 PolarHBondContact O-N 2.89Å; E106-R108 VanDerWaalsContact O-N 3.11Å; E106-G109 PolarHBondContact O-N 2.69Å
107	S	98.1	Very high	96.8	Very high	90 Å²	90	81 Å²	81	63%	0.629	46%	0.46	S	S	*	.	H	α-helix	trans	-65	-15.3	179.4	77.4	0	0	0	0	114.7	K103 D104 F105	K103-S107 VanDerWaalsContact O-CB 3.24Å; K103-S107 WeakPolarHBondContact O-CB 3.44Å; K103-S107 PolarHBondContact O-N 3.35Å; K103-S107 PolarHBondContact O-OG 2.87Å; D104-S107 PolarHBondContact O-N 2.87Å; D104-S107 PolarHBondContact O-OG 2.85Å; F105-S107 VanDerWaalsContact C-N 3.35Å; F105-S107 PolarHBondContact O-N 2.82Å
108	R	98.3	Very high	96.8	Very high	96 Å²	96	82.7 Å²	82.7	36%	0.362	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.2	3.5	177.1	-61.5	171.4	-163.7	-78	-2	113	D104 F105 E106 I110 N431	D104-R108 VanDerWaalsContact CG-NE 3.34Å; D104-R108 WeakPolarHBondContact O-CG 3.42Å; D104-R108 PolarHBondContact O-N 2.84Å; D104-R108 IonicContact OD1-CZ 3.01Å; D104-R108 IonicContact OD1-NE 2.72Å; D104-R108 PolarHBondContact OD1-NE 3.14Å; D104-R108 IonicContact OD1-NH2 4Å; D104-R108 IonicContact OD2-CZ 2.7Å; D104-R108 IonicContact OD2-NE 3.31Å; D104-R108 PolarHBondContact OD2-NE 2.97Å; D104-R108 IonicContact OD2-NH2 2.98Å; D104-R108 PolarHBondContact OD2-NH2 3.18Å; F105-R108 PolarHBondContact O-N 2.94Å; E106-R108 PolarHBondContact O-N 2.89Å; E106-R108 VanDerWaalsContact O-N 3.11Å; R108-I110 VanDerWaalsContact C-N 3.33Å; R108-I110 HydrophobicContact CB-CD1 4.3Å; R108-I110 HydrophobicContact CB-CG1 4.25Å; R108-N431 VanDerWaalsContact CZ-O 3.32Å; R108-N431 PolarHBondContact NH1-O 3.2Å; R108-N431 PolarHBondContact NH2-O 3.33Å
109	G	98	Very high	96.8	Very high	63 Å²	63	79.7 Å²	79.7	65%	0.649	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	18.7	-174.8	0	0	0	0	0	114.1	F105 E106 E111	F105-G109 PolarHBondContact O-N 2.69Å; E106-G109 PolarHBondContact O-N 2.69Å; G109-E111 PolarHBondContact O-N 2.81Å
110	I	98.4	Very high	96.9	Very high	78 Å²	78	85.3 Å²	85.3	40%	0.4	49%	0.485	S	S	.	.			trans	-99.1	80.4	177.4	-52.6	176.4	0	0	0	108	F105 R108 I112	F105-I110 CarbonylContact C-O 3.53Å; F105-I110 HydrophobicContact CB-CB 4.05Å; F105-I110 HydrophobicContact CB-CG2 4.39Å; F105-I110 HydrophobicContact CD2-CB 4.35Å; F105-I110 HydrophobicContact CD2-CG2 3.84Å; F105-I110 HydrophobicContact CG-CB 4.37Å; F105-I110 HydrophobicContact CG-CG2 4.36Å; F105-I110 WeakPolarHBondContact O-CA 3.35Å; F105-I110 WeakPolarHBondContact O-CB 3.42Å; F105-I110 PolarHBondContact O-N 3Å; R108-I110 VanDerWaalsContact C-N 3.33Å; R108-I110 HydrophobicContact CB-CD1 4.3Å; R108-I110 HydrophobicContact CB-CG1 4.25Å; I110-I112 HydrophobicContact CG2-CD1 4.14Å; I110-I112 HydrophobicContact CG2-CG1 4.17Å
111	E	96.8	Very high	96.9	Very high	181 Å²	181	91.2 Å²	91.2	85%	0.846	51%	0.506	S	S	*	.			trans	-75.1	125	178.4	-65.5	179.5	-161.6	0	0	111.1	G109	G109-E111 PolarHBondContact O-N 2.81Å
112	I	96	Very high	97	Very high	95 Å²	95	87 Å²	87	49%	0.487	49%	0.487	S	S	.	.			trans	-136.8	125.2	178.3	-51.6	-179	0	0	0	109.5	F105 I110 I115	F105-I112 HydrophobicContact CD2-CD1 3.77Å; F105-I112 HydrophobicContact CE2-CD1 4.21Å; I110-I112 HydrophobicContact CG2-CD1 4.14Å; I110-I112 HydrophobicContact CG2-CG1 4.17Å; I112-I115 HydrophobicContact CB-CD1 3.93Å; I112-I115 HydrophobicContact CB-CG1 4.19Å; I112-I115 HydrophobicContact CD1-CD1 4.49Å; I112-I115 HydrophobicContact CG2-CD1 3.86Å; I112-I115 HydrophobicContact CG2-CG1 3.59Å
113	S	94.4	Very high	97.2	Very high	118 Å²	118	86.8 Å²	86.8	83%	0.825	48%	0.478	S	S	*	.			trans	-98.7	151	174.6	57	0	0	0	0	111.9	I115	S113-I115 PolarHBondContact O-N 3.36Å
114	G	92	Very high	97.4	Very high	75 Å²	75	82 Å²	82	77%	0.773	47%	0.468	S	S	*	.	S	Bend	trans	73	20	171.5	0	0	0	0	0	116.7	S116	G114-S116 PolarHBondContact O-N 2.79Å
115	I	95	Very high	97.5	Very high	54 Å²	54	84.5 Å²	84.5	28%	0.277	48%	0.479	S	S	.	.			trans	-57.2	130.6	175.1	-62.6	175.8	0	0	0	110.2	Y97 A100 H101 I112 S113	Y97-I115 HydrophobicContact CD2-CG2 4.49Å; Y97-I115 HydrophobicContact CE2-CG2 4.12Å; A100-I115 VanDerWaalsContact C-CD1 3.42Å; A100-I115 HydrophobicContact CB-CD1 3.85Å; A100-I115 WeakPolarHBondContact O-CD1 3.23Å; H101-I115 HydrophobicContact CB-CG2 4.11Å; I112-I115 HydrophobicContact CB-CD1 3.93Å; I112-I115 HydrophobicContact CB-CG1 4.19Å; I112-I115 HydrophobicContact CD1-CD1 4.49Å; I112-I115 HydrophobicContact CG2-CD1 3.86Å; I112-I115 HydrophobicContact CG2-CG1 3.59Å; S113-I115 PolarHBondContact O-N 3.36Å
116	S	96.1	Very high	97.5	Very high	101 Å²	101	83 Å²	83	71%	0.706	47%	0.472	S	S	*	.			trans	-144.3	148.5	177	49.1	0	0	0	0	110.8	G114	G114-S116 PolarHBondContact O-N 2.79Å
117	L	98.4	Very high	97.5	Very high	46 Å²	46	79.9 Å²	79.9	24%	0.241	46%	0.464	C	S	.	.			trans	-82.3	119.7	178.4	177.1	59.7	0	0	0	110.9	Y97 L119 M122 V211 L234	Y97-L117 HydrophobicContact CD2-CD1 4.43Å; Y97-L117 HydrophobicContact CE2-CB 3.84Å; Y97-L117 HydrophobicContact CE2-CD1 4.48Å; L117-L119 HydrophobicContact CG-CB 4.42Å; L117-M122 HydrophobicContact CD1-CE 3.55Å; L117-M122 HydrophobicContact CD1-SD 4.46Å; L117-V211 HydrophobicContact CD2-CG2 3.56Å; L117-L234 HydrophobicContact CD1-CD2 3.87Å; L117-L234 HydrophobicContact CD2-CB 4Å; L117-L234 HydrophobicContact CD2-CD2 3.97Å; L117-L234 HydrophobicContact CD2-CG 4.39Å
118	N	98.6	Very high	97.6	Very high	75 Å²	75	77.4 Å²	77.4	40%	0.401	45%	0.453	S	S	.	.			trans	-101.9	92.5	162.6	-170.4	-62	0	0	0	109.5	E120 K121 M122	N118-E120 VanDerWaalsContact C-N 3.34Å; N118-E120 PolarHBondContact O-N 3.33Å; N118-K121 HydrophobicContact CB-CB 4.39Å; N118-K121 HydrophobicContact CB-CD 4.4Å; N118-K121 PolarHBondContact O-N 2.93Å; N118-K121 VanDerWaalsContact OD1-CB 3.31Å; N118-K121 WeakPolarHBondContact OD1-CB 3.3Å; N118-K121 VanDerWaalsContact OD1-CG 3.27Å; N118-K121 WeakPolarHBondContact OD1-CG 3.36Å; N118-K121 PolarHBondContact OD1-N 2.92Å; N118-M122 PolarHBondContact O-N 2.84Å
119	L	98.8	Very high	97.6	Very high	20 Å²	20	74.3 Å²	74.3	11%	0.105	45%	0.448	C	S	.	.	H	α-helix	trans	-65.6	-35.6	-176.2	-175	63	0	0	0	112.4	L117 K121 M122 M123 V211 W231 L234	L117-L119 HydrophobicContact CG-CB 4.42Å; L119-K121 PolarHBondContact O-N 2.8Å; L119-M122 WeakPolarHBondContact O-CB 3.26Å; L119-M122 PolarHBondContact O-N 3Å; L119-M123 HydrophobicContact CD1-CE 4.23Å; L119-M123 HydrophobicContact CD1-CG 4.43Å; L119-M123 HydrophobicContact CG-CG 4.41Å; L119-M123 WeakPolarHBondContact O-CB 3.07Å; L119-M123 WeakPolarHBondContact O-CG 3.34Å; L119-M123 PolarHBondContact O-N 3.01Å; L119-V211 HydrophobicContact CD2-CG2 4.37Å; L119-W231 HydrophobicContact CD1-CH2 4.03Å; L119-W231 HydrophobicContact CD1-CZ3 4.01Å; L119-W231 HydrophobicContact CD2-CH2 4.2Å; L119-W231 HydrophobicContact CD2-CZ3 4.09Å; L119-L234 HydrophobicContact CD1-CD1 4.21Å
120	E	98.6	Very high	97.6	Very high	158 Å²	158	72.2 Å²	72.2	74%	0.738	42%	0.423	S	S	*	.	H	α-helix	trans	-57.8	-49.9	176.9	-172	-164.4	162	0	0	111.2	N118 M122 M123 A124	N118-E120 VanDerWaalsContact C-N 3.34Å; N118-E120 PolarHBondContact O-N 3.33Å; E120-M122 VanDerWaalsContact C-N 3.32Å; E120-M122 PolarHBondContact O-N 3.3Å; E120-M123 PolarHBondContact O-N 3.13Å; E120-A124 WeakPolarHBondContact O-CB 3.4Å; E120-A124 PolarHBondContact O-N 3.07Å
121	K	98.8	Very high	97.6	Very high	150 Å²	150	76.4 Å²	76.4	65%	0.652	44%	0.438	S	S	*	.	H	α-helix	trans	-64.9	-34.6	176.6	-73	177.2	-179.3	-179.9	0	112.4	N118 L119 A124 Q125	N118-K121 HydrophobicContact CB-CB 4.39Å; N118-K121 HydrophobicContact CB-CD 4.4Å; N118-K121 PolarHBondContact O-N 2.93Å; N118-K121 VanDerWaalsContact OD1-CB 3.31Å; N118-K121 WeakPolarHBondContact OD1-CB 3.3Å; N118-K121 VanDerWaalsContact OD1-CG 3.27Å; N118-K121 WeakPolarHBondContact OD1-CG 3.36Å; N118-K121 PolarHBondContact OD1-N 2.92Å; L119-K121 PolarHBondContact O-N 2.8Å; K121-A124 PolarHBondContact O-N 3.42Å; K121-Q125 PolarHBondContact O-N 3.07Å
122	M	98.8	Very high	97.7	Very high	23 Å²	23	71 Å²	71	11%	0.113	43%	0.425	C	S	.	.	H	α-helix	trans	-65.6	-42.6	174.4	-168.7	177.5	-69	0	0	111.7	L90 N93 L117 N118 L119 E120 Q125 K126 L234	L90-M122 HydrophobicContact CD2-CG 3.94Å; L90-M122 HydrophobicContact CD2-SD 4.28Å; N93-M122 HydrophobicContact CB-CE 3.95Å; N93-M122 HydrophobicContact CB-CG 3.71Å; N93-M122 HydrophobicContact CB-SD 3.78Å; L117-M122 HydrophobicContact CD1-CE 3.55Å; L117-M122 HydrophobicContact CD1-SD 4.46Å; N118-M122 PolarHBondContact O-N 2.84Å; L119-M122 WeakPolarHBondContact O-CB 3.26Å; L119-M122 PolarHBondContact O-N 3Å; E120-M122 VanDerWaalsContact C-N 3.32Å; E120-M122 PolarHBondContact O-N 3.3Å; M122-Q125 PolarHBondContact O-N 2.87Å; M122-K126 PolarHBondContact O-N 2.7Å; M122-K126 VanDerWaalsContact O-N 3.11Å; M122-L234 HydrophobicContact CE-CD2 3.82Å; M122-L234 HydrophobicContact SD-CD1 4.17Å; M122-L234 HydrophobicContact SD-CD2 3.94Å
123	M	98.8	Very high	97.8	Very high	25 Å²	25	70.6 Å²	70.6	12%	0.123	42%	0.423	C	S	.	.	H	α-helix	trans	-69.6	-33.2	174.4	-71.9	-64.7	-179.5	0	0	112.7	L90 L119 E120 K126 S127 L206 W231	L90-M123 HydrophobicContact CD1-CE 3.98Å; L90-M123 HydrophobicContact CD1-SD 4.21Å; L90-M123 HydrophobicContact CD2-CE 4.39Å; L90-M123 HydrophobicContact CD2-SD 4.15Å; L119-M123 HydrophobicContact CD1-CE 4.23Å; L119-M123 HydrophobicContact CD1-CG 4.43Å; L119-M123 HydrophobicContact CG-CG 4.41Å; L119-M123 WeakPolarHBondContact O-CB 3.07Å; L119-M123 WeakPolarHBondContact O-CG 3.34Å; L119-M123 PolarHBondContact O-N 3.01Å; E120-M123 PolarHBondContact O-N 3.13Å; M123-K126 HydrophobicContact SD-CD 4.03Å; M123-S127 WeakPolarHBondContact O-CB 3.07Å; M123-S127 PolarHBondContact O-N 3.33Å; M123-S127 PolarHBondContact O-OG 2.84Å; M123-L206 WeakPolarHBondContact CE-O 3.44Å; M123-W231 HydrophobicContact CE-CH2 3.61Å; M123-W231 HydrophobicContact CE-CZ2 3.79Å
124	A	98.8	Very high	98	Very high	60 Å²	60	65.7 Å²	65.7	50%	0.496	39%	0.388	S	S	.	.	H	α-helix	trans	-66.8	-41.5	173.1	0	0	0	0	0	111.6	E120 K121 S127 G128	E120-A124 WeakPolarHBondContact O-CB 3.4Å; E120-A124 PolarHBondContact O-N 3.07Å; K121-A124 PolarHBondContact O-N 3.42Å; A124-S127 PolarHBondContact O-N 3.18Å; A124-G128 PolarHBondContact O-N 3.07Å
125	Q	98.8	Very high	98.3	Very high	95 Å²	95	64 Å²	64	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-48.2	174.6	-171.5	-78.1	-19.7	0	0	111.3	N93 K121 M122 S127 G128 A129	N93-Q125 PolarHBondContact ND2-OE1 2.83Å; K121-Q125 PolarHBondContact O-N 3.07Å; M122-Q125 PolarHBondContact O-N 2.87Å; Q125-S127 VanDerWaalsContact C-N 3.3Å; Q125-S127 PolarHBondContact O-N 3.3Å; Q125-G128 PolarHBondContact O-N 3.2Å; Q125-A129 PolarHBondContact O-N 3.5Å; Q125-A129 VanDerWaalsContact O-N 3.09Å
126	K	98.7	Very high	98.4	Very high	16 Å²	16	62.9 Å²	62.9	7%	0.07	37%	0.372	C	S	.	.	H	α-helix	trans	-50.8	-51.1	172.4	178.3	-152.9	71.9	171.3	0	111	P86 A89 L90 M122 M123 G128 A129 V130 L206 S207	P86-K126 HydrophobicContact CB-CD 3.79Å; P86-K126 HydrophobicContact CB-CG 3.77Å; A89-K126 HydrophobicContact CB-CB 4.24Å; A89-K126 HydrophobicContact CB-CG 4.24Å; L90-K126 HydrophobicContact CD1-CD 4.03Å; L90-K126 HydrophobicContact CD2-CB 4.27Å; L90-K126 HydrophobicContact CD2-CD 4.32Å; L90-K126 HydrophobicContact CG-CD 4.04Å; L90-K126 HydrophobicContact CG-CG 4.29Å; M122-K126 PolarHBondContact O-N 2.7Å; M122-K126 VanDerWaalsContact O-N 3.11Å; M123-K126 HydrophobicContact SD-CD 4.03Å; K126-G128 VanDerWaalsContact C-N 3.34Å; K126-G128 PolarHBondContact O-N 3.16Å; K126-A129 PolarHBondContact O-N 2.8Å; K126-V130 WeakPolarHBondContact O-CG2 3.16Å; K126-V130 PolarHBondContact O-N 2.89Å; K126-L206 PolarHBondContact NZ-O 3.25Å; K126-S207 PolarHBondContact NZ-OG 3.41Å; K126-S207 VanDerWaalsContact NZ-OG 3.16Å
127	S	98.5	Very high	98.6	Very high	59 Å²	59	58.6 Å²	58.6	41%	0.413	34%	0.341	S	S	.	.	H	α-helix	trans	-69.1	-31.9	-176.8	-53.4	0	0	0	0	112.6	M123 A124 Q125 K131	M123-S127 WeakPolarHBondContact O-CB 3.07Å; M123-S127 PolarHBondContact O-N 3.33Å; M123-S127 PolarHBondContact O-OG 2.84Å; A124-S127 PolarHBondContact O-N 3.18Å; Q125-S127 VanDerWaalsContact C-N 3.3Å; Q125-S127 PolarHBondContact O-N 3.3Å; S127-K131 VanDerWaalsContact O-CB 3.31Å; S127-K131 WeakPolarHBondContact O-CB 3.25Å; S127-K131 PolarHBondContact O-N 3.41Å
128	G	98.7	Very high	98.6	Very high	38 Å²	38	58.2 Å²	58.2	39%	0.392	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-44.3	172.5	0	0	0	0	0	112.7	A124 Q125 K126 K131 A132	A124-G128 PolarHBondContact O-N 3.07Å; Q125-G128 PolarHBondContact O-N 3.2Å; K126-G128 VanDerWaalsContact C-N 3.34Å; K126-G128 PolarHBondContact O-N 3.16Å; G128-K131 PolarHBondContact O-N 2.94Å; G128-A132 WeakPolarHBondContact O-CB 3.47Å; G128-A132 PolarHBondContact O-N 2.84Å
129	A	98.6	Very high	98.6	Very high	31 Å²	31	60.4 Å²	60.4	26%	0.256	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-46.5	175.9	0	0	0	0	0	112.1	Q125 K126 K131 A132 L133	Q125-A129 PolarHBondContact O-N 3.5Å; Q125-A129 VanDerWaalsContact O-N 3.09Å; K126-A129 PolarHBondContact O-N 2.8Å; A129-K131 PolarHBondContact O-N 2.75Å; A129-A132 PolarHBondContact O-N 3.48Å; A129-L133 PolarHBondContact O-N 2.93Å
130	V	98.6	Very high	98.6	Very high	19 Å²	19	62.5 Å²	62.5	12%	0.115	36%	0.363	C	S	.	.	H	α-helix	trans	-59.9	-44.7	175	176.2	0	0	0	0	111.1	L80 I85 P86 K126 A132 L133 T134	L80-V130 WeakPolarHBondContact O-CG2 3.08Å; I85-V130 HydrophobicContact CG2-CG2 4.05Å; P86-V130 HydrophobicContact CB-CG2 4.27Å; P86-V130 HydrophobicContact CG-CG2 4.47Å; K126-V130 WeakPolarHBondContact O-CG2 3.16Å; K126-V130 PolarHBondContact O-N 2.89Å; V130-A132 PolarHBondContact O-N 2.8Å; V130-L133 PolarHBondContact O-N 3.07Å; V130-T134 HydrophobicContact CG1-CG2 4.18Å; V130-T134 WeakPolarHBondContact O-CB 3.46Å; V130-T134 VanDerWaalsContact O-CG2 3.26Å; V130-T134 WeakPolarHBondContact O-CG2 3.31Å; V130-T134 PolarHBondContact O-N 2.96Å; V130-T134 PolarHBondContact O-OG1 2.92Å
131	K	98.6	Very high	98.6	Very high	165 Å²	165	55.2 Å²	55.2	72%	0.717	33%	0.329	S	S	*	.	H	α-helix	trans	-63.3	-40.4	177.9	-174.8	178.4	179.4	-179.2	0	112.8	S127 G128 A129 T134 G135	S127-K131 VanDerWaalsContact O-CB 3.31Å; S127-K131 WeakPolarHBondContact O-CB 3.25Å; S127-K131 PolarHBondContact O-N 3.41Å; G128-K131 PolarHBondContact O-N 2.94Å; A129-K131 PolarHBondContact O-N 2.75Å; K131-T134 WeakPolarHBondContact CA-OG1 3.36Å; K131-T134 PolarHBondContact O-OG1 3.01Å; K131-T134 VanDerWaalsContact O-OG1 3.1Å; K131-G135 PolarHBondContact O-N 2.98Å; K131-G135 VanDerWaalsContact O-N 3.15Å
132	A	98.6	Very high	98.6	Very high	69 Å²	69	56.2 Å²	56.2	57%	0.57	33%	0.333	S	S	*	.	H	α-helix	trans	-64.8	-48.5	178.4	0	0	0	0	0	111.5	G128 A129 V130 G135 G136	G128-A132 WeakPolarHBondContact O-CB 3.47Å; G128-A132 PolarHBondContact O-N 2.84Å; A129-A132 PolarHBondContact O-N 3.48Å; V130-A132 PolarHBondContact O-N 2.8Å; A132-G135 PolarHBondContact O-N 2.82Å; A132-G136 PolarHBondContact O-N 2.94Å
133	L	97.9	Very high	98.5	Very high	86 Å²	86	61.1 Å²	61.1	45%	0.45	36%	0.356	S	S	.	.	H	α-helix	trans	-71.8	-36.8	-177.6	-72.6	167.4	0	0	0	113	L80 I85 A129 V130 G135 G136 I137	L80-L133 HydrophobicContact CD1-CB 3.55Å; L80-L133 HydrophobicContact CD1-CD1 4.13Å; L80-L133 HydrophobicContact CD2-CB 4.25Å; I85-L133 HydrophobicContact CD1-CD1 4.2Å; I85-L133 HydrophobicContact CG1-CD1 4.18Å; I85-L133 HydrophobicContact CG2-CD1 3.86Å; A129-L133 PolarHBondContact O-N 2.93Å; V130-L133 PolarHBondContact O-N 3.07Å; L133-G135 VanDerWaalsContact C-N 3.33Å; L133-G135 PolarHBondContact O-N 3.22Å; L133-G136 WeakPolarHBondContact O-CA 3.41Å; L133-G136 PolarHBondContact O-N 2.87Å; L133-I137 PolarHBondContact O-N 2.85Å
134	T	98	Very high	98.5	Very high	15 Å²	15	61.4 Å²	61.4	9%	0.092	36%	0.358	C	S	.	.	H	α-helix	trans	-64.3	-39.1	173.2	48.4	0	0	0	0	111.5	T74 L80 N81 V130 K131 G136 I137 A138	T74-T134 HydrophobicContact CG2-CG2 4.37Å; L80-T134 HydrophobicContact CD2-CG2 3.47Å; L80-T134 VanDerWaalsContact CD2-CG2 3.47Å; L80-T134 HydrophobicContact CG-CG2 3.71Å; N81-T134 WeakPolarHBondContact OD1-CG2 3.35Å; V130-T134 HydrophobicContact CG1-CG2 4.18Å; V130-T134 WeakPolarHBondContact O-CB 3.46Å; V130-T134 VanDerWaalsContact O-CG2 3.26Å; V130-T134 WeakPolarHBondContact O-CG2 3.31Å; V130-T134 PolarHBondContact O-N 2.96Å; V130-T134 PolarHBondContact O-OG1 2.92Å; K131-T134 WeakPolarHBondContact CA-OG1 3.36Å; K131-T134 PolarHBondContact O-OG1 3.01Å; K131-T134 VanDerWaalsContact O-OG1 3.1Å; T134-G136 VanDerWaalsContact C-N 3.3Å; T134-I137 PolarHBondContact O-N 3.13Å; T134-A138 PolarHBondContact O-N 2.66Å
135	G	98.3	Very high	98.5	Very high	39 Å²	39	67.2 Å²	67.2	40%	0.402	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-36.2	168.7	0	0	0	0	0	112.9	K131 A132 L133 A138 H139	K131-G135 PolarHBondContact O-N 2.98Å; K131-G135 VanDerWaalsContact O-N 3.15Å; A132-G135 PolarHBondContact O-N 2.82Å; L133-G135 VanDerWaalsContact C-N 3.33Å; L133-G135 PolarHBondContact O-N 3.22Å; G135-A138 PolarHBondContact O-N 2.77Å; G135-H139 PolarHBondContact O-N 2.58Å
136	G	98.5	Very high	98.5	Very high	30 Å²	30	63.1 Å²	63.1	31%	0.309	35%	0.354	S	S	.	.	H	α-helix	trans	-58.2	-51	173.2	0	0	0	0	0	113	A132 L133 T134 A138 H139 L140	A132-G136 PolarHBondContact O-N 2.94Å; L133-G136 WeakPolarHBondContact O-CA 3.41Å; L133-G136 PolarHBondContact O-N 2.87Å; T134-G136 VanDerWaalsContact C-N 3.3Å; G136-A138 VanDerWaalsContact C-N 3.3Å; G136-A138 PolarHBondContact O-N 2.84Å; G136-H139 WeakPolarHBondContact O-CA 3.49Å; G136-H139 WeakPolarHBondContact O-CB 3.38Å; G136-H139 PolarHBondContact O-N 3.03Å; G136-L140 WeakPolarHBondContact O-CG 3.42Å; G136-L140 PolarHBondContact O-N 2.99Å
137	I	98.6	Very high	98.6	Very high	11 Å²	11	65 Å²	65	6%	0.056	37%	0.367	C	S	.	.	H	α-helix	trans	-60.9	-41.2	176.5	-57.4	176.7	0	0	0	110.7	Y53 L75 L80 L133 T134 H139 L140 F141	Y53-I137 HydrophobicContact CD1-CD1 3.78Å; Y53-I137 HydrophobicContact CD2-CD1 4.12Å; Y53-I137 HydrophobicContact CD2-CG1 4.18Å; Y53-I137 HydrophobicContact CD2-CG2 3.87Å; Y53-I137 HydrophobicContact CE1-CD1 3.88Å; Y53-I137 HydrophobicContact CE2-CD1 4.23Å; Y53-I137 HydrophobicContact CE2-CG1 4.24Å; Y53-I137 HydrophobicContact CG-CD1 3.95Å; Y53-I137 HydrophobicContact CG-CG1 4.46Å; Y53-I137 HydrophobicContact CG-CG2 3.94Å; L75-I137 HydrophobicContact CB-CB 4.22Å; L75-I137 HydrophobicContact CB-CG2 3.9Å; L75-I137 HydrophobicContact CD1-CB 4.4Å; L75-I137 HydrophobicContact CD1-CG2 3.84Å; L75-I137 HydrophobicContact CG-CG2 4.5Å; L80-I137 HydrophobicContact CD2-CD1 3.55Å; L80-I137 HydrophobicContact CD2-CG1 4.4Å; L133-I137 PolarHBondContact O-N 2.85Å; T134-I137 PolarHBondContact O-N 3.13Å; I137-H139 PolarHBondContact O-N 2.72Å; I137-L140 PolarHBondContact O-N 3Å; I137-F141 HydrophobicContact CG2-CD1 4.18Å; I137-F141 HydrophobicContact CG2-CE1 4.01Å; I137-F141 HydrophobicContact CG2-CZ 4.34Å; I137-F141 PolarHBondContact O-N 2.97Å
138	A	98.6	Very high	98.6	Very high	38 Å²	38	66.2 Å²	66.2	31%	0.314	37%	0.365	S	S	.	.	H	α-helix	trans	-65.7	-24	176.1	0	0	0	0	0	113.7	L75 T134 G135 G136 K142	L75-A138 HydrophobicContact CD1-CB 4.23Å; T134-A138 PolarHBondContact O-N 2.66Å; G135-A138 PolarHBondContact O-N 2.77Å; G136-A138 VanDerWaalsContact C-N 3.3Å; G136-A138 PolarHBondContact O-N 2.84Å; A138-K142 WeakPolarHBondContact O-CG 3.46Å
139	H	98.6	Very high	98.6	Very high	121 Å²	121	65 Å²	65	56%	0.56	35%	0.351	S	S	*	.	H	α-helix	trans	-76.7	-48.2	168.9	-180	90.4	0	0	0	111.3	G135 G136 I137 F141 K142 Q143	G135-H139 PolarHBondContact O-N 2.58Å; G136-H139 WeakPolarHBondContact O-CA 3.49Å; G136-H139 WeakPolarHBondContact O-CB 3.38Å; G136-H139 PolarHBondContact O-N 3.03Å; I137-H139 PolarHBondContact O-N 2.72Å; H139-F141 VanDerWaalsContact C-N 3.3Å; H139-F141 PolarHBondContact O-N 3.46Å; H139-K142 WeakPolarHBondContact O-CB 3.46Å; H139-K142 PolarHBondContact O-N 3.42Å; H139-Q143 PolarHBondContact O-N 3.45Å
140	L	98.6	Very high	98.6	Very high	65 Å²	65	67.5 Å²	67.5	34%	0.34	36%	0.359	S	S	.	.	H	α-helix	trans	-57.7	-40.7	178.7	-69.6	171.2	0	0	0	112.1	I57 G136 I137 K142 Q143 N144	I57-L140 HydrophobicContact CD1-CB 3.8Å; I57-L140 HydrophobicContact CD1-CD1 4.24Å; G136-L140 WeakPolarHBondContact O-CG 3.42Å; G136-L140 PolarHBondContact O-N 2.99Å; I137-L140 PolarHBondContact O-N 3Å; L140-K142 PolarHBondContact O-N 3.32Å; L140-Q143 PolarHBondContact O-N 3.12Å; L140-N144 WeakPolarHBondContact O-CB 3.39Å; L140-N144 PolarHBondContact O-N 3.34Å; L140-N144 PolarHBondContact O-ND2 2.91Å
141	F	98.8	Very high	98.5	Very high	4 Å²	4	66.7 Å²	66.7	2%	0.018	36%	0.355	C	S	.	.	H	α-helix	trans	-60.1	-44.7	173.9	-84.5	15.9	0	0	0	112.1	A56 I57 C68 L75 I137 H139 N144 K145 V146 H148	A56-F141 HydrophobicContact CB-CE1 4.21Å; A56-F141 HydrophobicContact CB-CZ 4.16Å; I57-F141 HydrophobicContact CD1-CD1 4.15Å; I57-F141 HydrophobicContact CD1-CE1 4.21Å; I57-F141 HydrophobicContact CG1-CD1 3.89Å; I57-F141 HydrophobicContact CG1-CE1 3.99Å; C68-F141 HydrophobicContact CB-CE2 3.61Å; C68-F141 HydrophobicContact CB-CZ 3.84Å; L75-F141 HydrophobicContact CD1-CD2 3.67Å; L75-F141 HydrophobicContact CD1-CE2 3.76Å; L75-F141 HydrophobicContact CD1-CG 4.34Å; L75-F141 HydrophobicContact CD1-CZ 4.49Å; L75-F141 HydrophobicContact CD2-CE2 3.95Å; I137-F141 HydrophobicContact CG2-CD1 4.18Å; I137-F141 HydrophobicContact CG2-CE1 4.01Å; I137-F141 HydrophobicContact CG2-CZ 4.34Å; I137-F141 PolarHBondContact O-N 2.97Å; H139-F141 VanDerWaalsContact C-N 3.3Å; H139-F141 PolarHBondContact O-N 3.46Å; F141-N144 CarbonylContact O-C 3.55Å; F141-N144 PolarHBondContact O-N 3.47Å; F141-K145 CarbonylContact O-C 3.57Å; F141-K145 PolarHBondContact O-N 3.45Å; F141-V146 HydrophobicContact CB-CB 4.03Å; F141-V146 HydrophobicContact CD1-CB 4.12Å; F141-V146 HydrophobicContact CD1-CG1 4.14Å; F141-V146 HydrophobicContact CD1-CG2 4.33Å; F141-V146 HydrophobicContact CD2-CB 4.33Å; F141-V146 HydrophobicContact CD2-CG1 3.9Å; F141-V146 HydrophobicContact CE1-CG1 4.27Å; F141-V146 HydrophobicContact CE2-CG1 4.06Å; F141-V146 HydrophobicContact CG-CB 3.91Å; F141-V146 HydrophobicContact CG-CG1 3.95Å; F141-V146 HydrophobicContact CZ-CG1 4.23Å; F141-V146 PolarHBondContact O-N 2.81Å; F141-H148 HydrophobicContact CD2-CB 4.24Å
142	K	98.5	Very high	98.5	Very high	171 Å²	171	62 Å²	62	74%	0.743	34%	0.335	S	S	*	.	H	α-helix	trans	-64.4	-43.3	176.3	-69.3	172.4	-176.8	179.7	0	111.9	A138 H139 L140 K145	A138-K142 WeakPolarHBondContact O-CG 3.46Å; H139-K142 WeakPolarHBondContact O-CB 3.46Å; H139-K142 PolarHBondContact O-N 3.42Å; L140-K142 PolarHBondContact O-N 3.32Å; K142-K145 PolarHBondContact O-N 2.89Å
143	Q	98.6	Very high	98.5	Very high	127 Å²	127	59 Å²	59	59%	0.593	31%	0.311	S	S	*	.	H	α-helix	trans	-60.8	-44.2	178.3	-175.3	-177	4.2	0	0	111.8	H139 L140 K145	H139-Q143 PolarHBondContact O-N 3.45Å; L140-Q143 PolarHBondContact O-N 3.12Å; Q143-K145 VanDerWaalsContact C-N 3.31Å
144	N	98.8	Very high	98.6	Very high	31 Å²	31	59.6 Å²	59.6	17%	0.166	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	7	178.6	-63.7	-91	0	0	0	113	A60 Q61 L140 F141 V146	A60-N144 HydrophobicContact CB-CB 4.41Å; A60-N144 WeakPolarHBondContact CB-O 3.19Å; Q61-N144 WeakPolarHBondContact CG-OD1 3.33Å; Q61-N144 PolarHBondContact NE2-OD1 2.91Å; L140-N144 WeakPolarHBondContact O-CB 3.39Å; L140-N144 PolarHBondContact O-N 3.34Å; L140-N144 PolarHBondContact O-ND2 2.91Å; F141-N144 CarbonylContact O-C 3.55Å; F141-N144 PolarHBondContact O-N 3.47Å; N144-V146 HydrophobicContact CB-CG2 4.27Å; N144-V146 PolarHBondContact O-N 3.42Å
145	K	98.6	Very high	98.6	Very high	181 Å²	181	58.9 Å²	58.9	79%	0.787	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	24.9	179.8	-50.3	178.8	-174.9	175.5	0	115.2	F141 K142 Q143 T147	F141-K145 CarbonylContact O-C 3.57Å; F141-K145 PolarHBondContact O-N 3.45Å; K142-K145 PolarHBondContact O-N 2.89Å; Q143-K145 VanDerWaalsContact C-N 3.31Å; K145-T147 PolarHBondContact O-N 3.03Å
146	V	98.9	Very high	98.6	Very high	10 Å²	10	59.9 Å²	59.9	6%	0.061	30%	0.303	C	S	.	.			trans	-68.9	126.6	172.7	178.5	0	0	0	0	109.3	A56 A60 C68 F141 N144 H148	A56-V146 HydrophobicContact CB-CG1 3.97Å; A56-V146 WeakPolarHBondContact O-CG2 3.19Å; A60-V146 HydrophobicContact CB-CG2 3.94Å; C68-V146 HydrophobicContact CB-CG1 3.95Å; F141-V146 HydrophobicContact CB-CB 4.03Å; F141-V146 HydrophobicContact CD1-CB 4.12Å; F141-V146 HydrophobicContact CD1-CG1 4.14Å; F141-V146 HydrophobicContact CD1-CG2 4.33Å; F141-V146 HydrophobicContact CD2-CB 4.33Å; F141-V146 HydrophobicContact CD2-CG1 3.9Å; F141-V146 HydrophobicContact CE1-CG1 4.27Å; F141-V146 HydrophobicContact CE2-CG1 4.06Å; F141-V146 HydrophobicContact CG-CB 3.91Å; F141-V146 HydrophobicContact CG-CG1 3.95Å; F141-V146 HydrophobicContact CZ-CG1 4.23Å; F141-V146 PolarHBondContact O-N 2.81Å; N144-V146 HydrophobicContact CB-CG2 4.27Å; N144-V146 PolarHBondContact O-N 3.42Å; V146-H148 PolarHBondContact O-N 2.9Å
147	T	98.8	Very high	98.4	Very high	56 Å²	56	59.5 Å²	59.5	34%	0.344	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	111.5	178.2	-60.5	0	0	0	0	109.8	I39 T66 V67 C68 K145 V149	I39-T147 HydrophobicContact CD1-CG2 4.45Å; T66-T147 PolarHBondContact O-N 3.39Å; V67-T147 CarbonylContact C-O 3.47Å; V67-T147 WeakPolarHBondContact CA-O 3.46Å; V67-T147 HydrophobicContact CG2-CG2 4.41Å; C68-T147 PolarHBondContact N-O 3.3Å; K145-T147 PolarHBondContact O-N 3.03Å; T147-V149 HydrophobicContact CG2-CG2 4.39Å
148	H	98.6	Very high	98.3	Very high	83 Å²	83	65.2 Å²	65.2	38%	0.384	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126	173.4	175.3	-141.8	0	0	0	111	C68 F141 V146	C68-H148 WeakPolarHBondContact O-CA 3.28Å; F141-H148 HydrophobicContact CD2-CB 4.24Å; V146-H148 PolarHBondContact O-N 2.9Å
149	V	98.7	Very high	98.3	Very high	14 Å²	14	67.6 Å²	67.6	9%	0.085	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	116	170.4	177	0	0	0	0	108.7	I39 V67 C68 V69 E70 T147 A163 Q171 I173	I39-V149 HydrophobicContact CD1-CG2 4.16Å; V67-V149 HydrophobicContact CG1-CB 4.48Å; V67-V149 HydrophobicContact CG1-CG2 3.82Å; C68-V149 PolarHBondContact O-N 3.42Å; V69-V149 WeakPolarHBondContact CA-O 3.36Å; V69-V149 HydrophobicContact CG2-CB 4.4Å; E70-V149 PolarHBondContact N-O 3.04Å; T147-V149 HydrophobicContact CG2-CG2 4.39Å; V149-A163 HydrophobicContact CG1-CB 3.6Å; V149-Q171 HydrophobicContact CG1-CB 3.95Å; V149-Q171 HydrophobicContact CG1-CG 3.83Å; V149-Q171 HydrophobicContact CG2-CG 4.21Å; V149-I173 HydrophobicContact CG2-CD1 4.36Å
150	N	98.4	Very high	98.3	Very high	82 Å²	82	64.7 Å²	64.7	44%	0.439	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.7	173.1	-175.7	-12.5	0	0	0	109.8	E70	E70-N150 CarbonylContact O-C 3.6Å; E70-N150 VanDerWaalsContact O-CA 3.3Å; E70-N150 WeakPolarHBondContact O-CA 3.5Å; E70-N150 PolarHBondContact O-OD1 3.34Å
151	G	98.4	Very high	98.3	Very high	2 Å²	2	61.6 Å²	61.6	2%	0.021	30%	0.302	C	S	.	.	S	Bend	trans	165.5	162.8	176.9	0	0	0	0	0	112.5	V69 E70 G153 T164	V69-G151 VanDerWaalsContact CG1-O 3.32Å; V69-G151 WeakPolarHBondContact CG1-O 3.2Å; E70-G151 CarbonylContact C-O 3.58Å; E70-G151 PolarHBondContact O-N 2.83Å; G151-G153 PolarHBondContact O-N 2.94Å; G151-G153 VanDerWaalsContact O-N 3.16Å; G151-T164 CarbonylContact C-O 3.59Å; G151-T164 VanDerWaalsContact CA-O 3.24Å; G151-T164 WeakPolarHBondContact CA-O 3.32Å
152	F	98.7	Very high	98.3	Very high	68 Å²	68	62.3 Å²	62.3	30%	0.298	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	106.6	172.6	-162.2	-73.4	0	0	0	109.8	K71 A163 T164 F317 Q319 N320	K71-F152 HydrophobicContact CB-CB 4.4Å; K71-F152 HydrophobicContact CB-CD2 4.21Å; K71-F152 HydrophobicContact CD-CD2 3.69Å; K71-F152 HydrophobicContact CD-CE2 3.78Å; F152-A163 WeakPolarHBondContact O-CA 3.32Å; F152-T164 PolarHBondContact N-O 2.92Å; F152-T164 PolarHBondContact O-N 2.85Å; F152-F317 HydrophobicContact CE2-CE1 4.32Å; F152-F317 HydrophobicContact CE2-CZ 4.21Å; F152-F317 HydrophobicContact CZ-CE1 4.18Å; F152-F317 HydrophobicContact CZ-CZ 4.21Å; F152-Q319 WeakPolarHBondContact CZ-O 3.48Å; F152-N320 HydrophobicContact CE1-CB 4.01Å; F152-N320 HydrophobicContact CZ-CB 4.14Å
153	G	98.5	Very high	98.3	Very high	6 Å²	6	54.3 Å²	54.3	6%	0.062	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.3	177.3	0	0	0	0	0	112.6	G151	G151-G153 PolarHBondContact O-N 2.94Å; G151-G153 VanDerWaalsContact O-N 3.16Å
154	K	98.7	Very high	98.2	Very high	98 Å²	98	50.6 Å²	50.6	43%	0.426	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	132.6	170.1	178.4	177	179.3	-176.5	0	109.7	T156 V161 T162	K154-T156 PolarHBondContact O-N 3.46Å; K154-V161 CarbonylContact O-C 3.39Å; K154-V161 WeakPolarHBondContact O-CA 3.2Å; K154-T162 PolarHBondContact N-O 3.39Å; K154-T162 PolarHBondContact O-N 3.37Å
155	I	98.7	Very high	98.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	114.6	170.8	-55.7	176.2	0	0	0	107.7	G157 V161 I178 I180 L321 L323 V326 I349	I155-G157 WeakPolarHBondContact CG2-O 3.49Å; I155-V161 HydrophobicContact CG1-CG2 4.49Å; I155-I178 HydrophobicContact CD1-CG2 4Å; I155-I178 HydrophobicContact CG1-CD1 4.42Å; I155-I178 HydrophobicContact CG1-CG2 4.24Å; I155-I178 HydrophobicContact CG2-CD1 3.91Å; I155-I180 HydrophobicContact CD1-CD1 3.86Å; I155-I180 HydrophobicContact CD1-CG1 4.11Å; I155-L321 HydrophobicContact CD1-CG 4.41Å; I155-L321 HydrophobicContact CG1-CD1 4.36Å; I155-L321 PolarHBondContact N-O 2.98Å; I155-L323 HydrophobicContact CD1-CD2 4.4Å; I155-V326 HydrophobicContact CG2-CG1 3.61Å; I155-V326 HydrophobicContact CG2-CG2 4.2Å; I155-I349 HydrophobicContact CD1-CG2 4.39Å; I155-I349 HydrophobicContact CG2-CD1 4.31Å
156	T	97.5	Very high	97.9	Very high	59 Å²	59	47.1 Å²	47.1	36%	0.362	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	-17.4	-179.5	48.7	0	0	0	0	112.6	K154 Q160	K154-T156 PolarHBondContact O-N 3.46Å; T156-Q160 PolarHBondContact N-O 3.4Å; T156-Q160 WeakPolarHBondContact OG1-CG 3.38Å; T156-Q160 PolarHBondContact OG1-O 3.33Å; T156-Q160 PolarHBondContact OG1-OE1 3.19Å
157	G	95.9	Very high	97.7	Very high	22 Å²	22	52.1 Å²	52.1	23%	0.227	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.8	175.3	171.2	0	0	0	0	0	111.3	I155 N159 Q160	I155-G157 WeakPolarHBondContact CG2-O 3.49Å; G157-N159 PolarHBondContact O-N 2.98Å; G157-Q160 PolarHBondContact N-O 3.08Å; G157-Q160 PolarHBondContact O-N 3.01Å; G157-Q160 VanDerWaalsContact O-N 3.14Å
158	K	95.6	Very high	97.5	Very high	131 Å²	131	51.5 Å²	51.5	57%	0.57	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.7	-177.9	-64.5	-175.7	179.3	179.6	0	114.1	V346	K158-V346 HydrophobicContact CD-CG1 4.36Å; K158-V346 HydrophobicContact CG-CG1 4.11Å
159	N	98	Very high	97.3	Very high	89 Å²	89	48.5 Å²	48.5	48%	0.476	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.3	26.6	-176.9	-67.3	102.4	0	0	0	112	G157 N174 T175 K176	G157-N159 PolarHBondContact O-N 2.98Å; N159-N174 CarbonylContact O-C 3.51Å; N159-T175 CarbonylContact C-O 3.27Å; N159-T175 WeakPolarHBondContact CA-O 3.13Å; N159-T175 WeakPolarHBondContact CB-O 3.42Å; N159-T175 PolarHBondContact ND2-O 2.78Å; N159-T175 PolarHBondContact O-N 2.92Å; N159-K176 PolarHBondContact ND2-O 2.97Å
160	Q	98.4	Very high	97.2	Very high	60 Å²	60	51.3 Å²	51.3	28%	0.28	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	135.4	-179.4	-164.6	-178	78.8	0	0	113	T156 G157 V172 I173 N174	T156-Q160 PolarHBondContact N-O 3.4Å; T156-Q160 WeakPolarHBondContact OG1-CG 3.38Å; T156-Q160 PolarHBondContact OG1-O 3.33Å; T156-Q160 PolarHBondContact OG1-OE1 3.19Å; G157-Q160 PolarHBondContact N-O 3.08Å; G157-Q160 PolarHBondContact O-N 3.01Å; G157-Q160 VanDerWaalsContact O-N 3.14Å; Q160-V172 HydrophobicContact CG-CG1 3.87Å; Q160-I173 WeakPolarHBondContact CA-O 3.39Å; Q160-N174 PolarHBondContact NE2-OD1 2.95Å
161	V	98.7	Very high	97.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.4	170.4	180	0	0	0	0	108.4	T44 V46 K154 I155 I173 I178	T44-V161 HydrophobicContact CG2-CB 4.21Å; T44-V161 HydrophobicContact CG2-CG2 4.08Å; V46-V161 HydrophobicContact CG2-CG1 4.16Å; V46-V161 HydrophobicContact CG2-CG2 4.36Å; K154-V161 CarbonylContact O-C 3.39Å; K154-V161 WeakPolarHBondContact O-CA 3.2Å; I155-V161 HydrophobicContact CG1-CG2 4.49Å; V161-I173 PolarHBondContact N-O 3.47Å; V161-I173 WeakPolarHBondContact O-CB 3.25Å; V161-I173 PolarHBondContact O-N 3.3Å; V161-I178 HydrophobicContact CG2-CD1 3.75Å; V161-I178 HydrophobicContact CG2-CG1 3.96Å; V161-I178 HydrophobicContact CG2-CG2 4.11Å
162	T	98.6	Very high	97.2	Very high	19 Å²	19	49.5 Å²	49.5	12%	0.117	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124	168.9	-61.3	0	0	0	0	109.1	K154 H170 Q171 V172	K154-T162 PolarHBondContact N-O 3.39Å; K154-T162 PolarHBondContact O-N 3.37Å; T162-H170 HydrophobicContact CG2-CB 3.96Å; T162-Q171 WeakPolarHBondContact CA-O 3.4Å; T162-V172 HydrophobicContact CG2-CG2 4.49Å
163	A	98.5	Very high	97.2	Very high	2 Å²	2	46.2 Å²	46.2	2%	0.017	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	122.9	172.6	0	0	0	0	0	110.2	V69 V149 F152 H170 Q171	V69-A163 HydrophobicContact CG1-CB 3.69Å; V149-A163 HydrophobicContact CG1-CB 3.6Å; F152-A163 WeakPolarHBondContact O-CA 3.32Å; A163-H170 CarbonylContact O-C 3.51Å; A163-H170 WeakPolarHBondContact O-CA 3.32Å; A163-Q171 HydrophobicContact CB-CB 4.45Å; A163-Q171 PolarHBondContact N-O 3.1Å; A163-Q171 PolarHBondContact O-N 3.44Å
164	T	98.3	Very high	97.2	Very high	50 Å²	50	47.8 Å²	47.8	31%	0.307	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	115.9	178.5	-57	0	0	0	0	110.3	G151 F152 H170	G151-T164 CarbonylContact C-O 3.59Å; G151-T164 VanDerWaalsContact CA-O 3.24Å; G151-T164 WeakPolarHBondContact CA-O 3.32Å; F152-T164 PolarHBondContact N-O 2.92Å; F152-T164 PolarHBondContact O-N 2.85Å; T164-H170 PolarHBondContact OG1-CE1 2.97Å; T164-H170 PolarHBondContact OG1-ND1 2.86Å
165	A	96.7	Very high	97.2	Very high	19 Å²	19	43.6 Å²	43.6	16%	0.157	26%	0.264	C	S	.	.			trans	-76.1	167.3	177.8	0	0	0	0	0	112.2	D167 G168 S169	A165-D167 WeakPolarHBondContact CB-OD1 3.37Å; A165-D167 PolarHBondContact O-N 3.42Å; A165-G168 PolarHBondContact O-N 2.81Å; A165-S169 PolarHBondContact N-O 2.95Å
166	A	94.4	Very high	97.2	Very high	120 Å²	120	49.8 Å²	49.8	99%	0.992	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-16.2	-176.8	0	0	0	0	0	114.5	G168	A166-G168 VanDerWaalsContact C-N 3.3Å
167	D	93.3	Very high	97.2	Very high	115 Å²	115	48.3 Å²	48.3	62%	0.615	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	1.6	171.6	62.4	-0.1	0	0	0	113.2	A165 S169	A165-D167 WeakPolarHBondContact CB-OD1 3.37Å; A165-D167 PolarHBondContact O-N 3.42Å; D167-S169 VanDerWaalsContact C-N 3.3Å; D167-S169 VanDerWaalsContact CG-OG 3.31Å; D167-S169 VanDerWaalsContact OD1-CB 3.24Å; D167-S169 WeakPolarHBondContact OD1-CB 3.49Å; D167-S169 PolarHBondContact OD1-N 2.79Å; D167-S169 PolarHBondContact OD1-OG 3.46Å; D167-S169 PolarHBondContact OD2-OG 3.48Å
168	G	94.3	Very high	97.4	Very high	43 Å²	43	47.2 Å²	47.2	44%	0.443	27%	0.27	S	S	.	.	S	Bend	trans	82.7	-4.2	-174.5	0	0	0	0	0	114.6	A165 A166	A165-G168 PolarHBondContact O-N 2.81Å; A166-G168 VanDerWaalsContact C-N 3.3Å
169	S	94.6	Very high	97.5	Very high	19 Å²	19	41 Å²	41	13%	0.133	24%	0.243	C	C	.	.			trans	-71	137.5	179.9	67.1	0	0	0	0	112	K36 A165 D167	K36-S169 PolarHBondContact NZ-OG 2.69Å; A165-S169 PolarHBondContact N-O 2.95Å; D167-S169 VanDerWaalsContact C-N 3.3Å; D167-S169 VanDerWaalsContact CG-OG 3.31Å; D167-S169 VanDerWaalsContact OD1-CB 3.24Å; D167-S169 WeakPolarHBondContact OD1-CB 3.49Å; D167-S169 PolarHBondContact OD1-N 2.79Å; D167-S169 PolarHBondContact OD1-OG 3.46Å; D167-S169 PolarHBondContact OD2-OG 3.48Å
170	H	96.6	Very high	97.6	Very high	74 Å²	74	36.8 Å²	36.8	34%	0.343	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	147.1	179.6	-57.2	-59.1	0	0	0	112.4	D35 K36 T162 A163 T164	D35-H170 IonicContact OD1-CD2 2.76Å; K36-H170 PolarHBondContact N-O 2.66Å; K36-H170 VanDerWaalsContact N-O 3.15Å; T162-H170 HydrophobicContact CG2-CB 3.96Å; A163-H170 CarbonylContact O-C 3.51Å; A163-H170 WeakPolarHBondContact O-CA 3.32Å; T164-H170 PolarHBondContact OG1-CE1 2.97Å; T164-H170 PolarHBondContact OG1-ND1 2.86Å
171	Q	98.2	Very high	97.6	Very high	21 Å²	21	34.3 Å²	34.3	10%	0.098	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	112	164.3	176.4	63.6	75.6	0	0	108	K36 A37 I39 V149 T162 A163 I173	K36-Q171 HydrophobicContact CD-CB 4.21Å; A37-Q171 PolarHBondContact O-NE2 2.76Å; I39-Q171 VanDerWaalsContact CD1-CD 3.49Å; I39-Q171 HydrophobicContact CD1-CG 3.95Å; V149-Q171 HydrophobicContact CG1-CB 3.95Å; V149-Q171 HydrophobicContact CG1-CG 3.83Å; V149-Q171 HydrophobicContact CG2-CG 4.21Å; T162-Q171 WeakPolarHBondContact CA-O 3.4Å; A163-Q171 HydrophobicContact CB-CB 4.45Å; A163-Q171 PolarHBondContact N-O 3.1Å; A163-Q171 PolarHBondContact O-N 3.44Å; Q171-I173 HydrophobicContact CG-CG1 4.23Å
172	V	98.4	Very high	97.6	Very high	24 Å²	24	35.7 Å²	35.7	15%	0.145	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	136.3	172.9	179.2	0	0	0	0	109.3	E38 I39 Q160 T162	E38-V172 HydrophobicContact CG-CB 4.17Å; E38-V172 HydrophobicContact CG-CG1 4.3Å; I39-V172 PolarHBondContact N-O 2.91Å; Q160-V172 HydrophobicContact CG-CG1 3.87Å; T162-V172 HydrophobicContact CG2-CG2 4.49Å
173	I	98.8	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	110.8	178.1	-54.7	153.2	0	0	0	107.8	I39 A41 T44 V67 V69 V149 Q160 V161 Q171	I39-I173 HydrophobicContact CB-CG1 4.44Å; I39-I173 CarbonylContact O-C 3.48Å; I39-I173 VanDerWaalsContact O-CA 3.25Å; I39-I173 WeakPolarHBondContact O-CA 3.12Å; I39-I173 WeakPolarHBondContact O-CG2 3.35Å; A41-I173 HydrophobicContact CB-CG2 4.22Å; T44-I173 HydrophobicContact CG2-CD1 4.21Å; T44-I173 HydrophobicContact CG2-CG2 4.11Å; T44-I173 VanDerWaalsContact OG1-CG2 3.32Å; T44-I173 WeakPolarHBondContact OG1-CG2 3.41Å; V67-I173 HydrophobicContact CB-CG2 4.37Å; V67-I173 HydrophobicContact CG1-CD1 3.8Å; V67-I173 HydrophobicContact CG1-CG1 4.38Å; V67-I173 HydrophobicContact CG1-CG2 4.42Å; V67-I173 HydrophobicContact CG2-CG2 4.16Å; V69-I173 HydrophobicContact CG2-CD1 3.54Å; V149-I173 HydrophobicContact CG2-CD1 4.36Å; Q160-I173 WeakPolarHBondContact CA-O 3.39Å; V161-I173 PolarHBondContact N-O 3.47Å; V161-I173 WeakPolarHBondContact O-CB 3.25Å; V161-I173 PolarHBondContact O-N 3.3Å; Q171-I173 HydrophobicContact CG-CG1 4.23Å
174	N	98.7	Very high	97.6	Very high	39 Å²	39	35.9 Å²	35.9	21%	0.209	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	131.7	173.5	-59.8	-38	0	0	0	108.3	E38 I39 D40 A41 N159 Q160	E38-N174 PolarHBondContact OE2-ND2 3.39Å; I39-N174 PolarHBondContact O-N 3.43Å; D40-N174 CarbonylContact C-O 3.44Å; D40-N174 VanDerWaalsContact CA-O 3.31Å; D40-N174 WeakPolarHBondContact CA-O 3.37Å; A41-N174 PolarHBondContact N-O 3Å; N159-N174 CarbonylContact O-C 3.51Å; Q160-N174 PolarHBondContact NE2-OD1 2.95Å
175	T	98.8	Very high	97.7	Very high	9 Å²	9	36.2 Å²	36.2	6%	0.055	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	144.8	-169.4	-162.1	0	0	0	0	116	A41 T44 N159 N177 I178	A41-T175 WeakPolarHBondContact O-CA 3.5Å; A41-T175 PolarHBondContact O-OG1 2.66Å; T44-T175 PolarHBondContact N-OG1 3Å; T44-T175 WeakPolarHBondContact OG1-CB 3.25Å; T44-T175 WeakPolarHBondContact OG1-CG2 3.42Å; T44-T175 PolarHBondContact OG1-OG1 2.85Å; N159-T175 CarbonylContact C-O 3.27Å; N159-T175 WeakPolarHBondContact CA-O 3.13Å; N159-T175 WeakPolarHBondContact CB-O 3.42Å; N159-T175 PolarHBondContact ND2-O 2.78Å; N159-T175 PolarHBondContact O-N 2.92Å; T175-N177 PolarHBondContact OG1-O 2.95Å; T175-I178 HydrophobicContact CG2-CD1 4.29Å; T175-I178 HydrophobicContact CG2-CG1 3.55Å
176	K	98.6	Very high	97.7	Very high	131 Å²	131	36.9 Å²	36.9	57%	0.57	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.4	-40.3	177	-59.8	176.2	-173.9	162.8	0	112.1	A41 D42 N159	A41-K176 PolarHBondContact O-N 2.87Å; A41-K176 VanDerWaalsContact O-N 3.1Å; D42-K176 WeakPolarHBondContact O-CB 3.44Å; D42-K176 WeakPolarHBondContact OD1-CD 3.43Å; D42-K176 VanDerWaalsContact OD1-CE 3.25Å; D42-K176 WeakPolarHBondContact OD1-CE 3.46Å; D42-K176 IonicContact OD1-NZ 2.66Å; D42-K176 PolarHBondContact OD1-NZ 3.13Å; N159-K176 PolarHBondContact ND2-O 2.97Å
177	N	98.9	Very high	97.9	Very high	27 Å²	27	32.9 Å²	32.9	14%	0.144	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	142.2	-179.8	-55.2	-88.9	0	0	0	111.7	D42 V43 T44 T175 G348 Y350 M376	D42-N177 PolarHBondContact O-N 2.8Å; D42-N177 VanDerWaalsContact O-N 3.08Å; D42-N177 PolarHBondContact O-ND2 3.49Å; V43-N177 WeakPolarHBondContact CA-O 3.22Å; V43-N177 HydrophobicContact CG2-CB 4.41Å; T44-N177 PolarHBondContact N-O 2.94Å; T175-N177 PolarHBondContact OG1-O 2.95Å; N177-G348 CarbonylContact C-O 3.55Å; N177-G348 VanDerWaalsContact CA-O 3.28Å; N177-G348 WeakPolarHBondContact CA-O 3.3Å; N177-Y350 HydrophobicContact CB-CE2 4.17Å; N177-Y350 WeakPolarHBondContact OD1-CE2 3.48Å; N177-M376 HydrophobicContact CB-SD 3.81Å
178	I	98.9	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.8	174.4	-58	173.7	0	0	0	108.6	T44 V46 I155 V161 T175 I180 G348 I349 Y350	T44-I178 WeakPolarHBondContact O-CA 3.33Å; V46-I178 HydrophobicContact CG2-CG2 4.4Å; I155-I178 HydrophobicContact CD1-CG2 4Å; I155-I178 HydrophobicContact CG1-CD1 4.42Å; I155-I178 HydrophobicContact CG1-CG2 4.24Å; I155-I178 HydrophobicContact CG2-CD1 3.91Å; V161-I178 HydrophobicContact CG2-CD1 3.75Å; V161-I178 HydrophobicContact CG2-CG1 3.96Å; V161-I178 HydrophobicContact CG2-CG2 4.11Å; T175-I178 HydrophobicContact CG2-CD1 4.29Å; T175-I178 HydrophobicContact CG2-CG1 3.55Å; I178-I180 HydrophobicContact CG2-CG1 4.45Å; I178-G348 PolarHBondContact N-O 3.33Å; I178-I349 HydrophobicContact CB-CG1 4.31Å; I178-I349 HydrophobicContact CB-CG2 4.36Å; I178-I349 HydrophobicContact CD1-CD1 4.34Å; I178-I349 HydrophobicContact CD1-CG1 4.34Å; I178-I349 HydrophobicContact CG2-CG2 4.49Å; I178-I349 WeakPolarHBondContact O-CA 3.45Å; I178-Y350 PolarHBondContact O-N 3.35Å
179	L	98.9	Very high	98.2	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	113.6	176.1	-179.6	60.3	0	0	0	110.3	T44 V45 V46 A55 A181 I352 I373 M376	T44-L179 PolarHBondContact O-N 3Å; V45-L179 CarbonylContact C-O 3.54Å; V45-L179 WeakPolarHBondContact CA-O 3.38Å; V45-L179 HydrophobicContact CG1-CB 4.4Å; V45-L179 HydrophobicContact CG1-CD2 4.28Å; V45-L179 HydrophobicContact CG1-CG 4.33Å; V45-L179 HydrophobicContact CG2-CB 4.29Å; V45-L179 HydrophobicContact CG2-CD2 4.16Å; V46-L179 PolarHBondContact N-O 3.1Å; A55-L179 HydrophobicContact CB-CD2 3.42Å; A55-L179 VanDerWaalsContact CB-CD2 3.42Å; L179-A181 PolarHBondContact O-N 2.91Å; L179-I352 HydrophobicContact CD1-CD1 4.12Å; L179-I352 HydrophobicContact CD1-CG1 3.96Å; L179-I352 HydrophobicContact CD1-CG2 3.94Å; L179-I352 HydrophobicContact CD2-CD1 3.96Å; L179-I352 HydrophobicContact CG-CD1 4.16Å; L179-I352 HydrophobicContact CG-CG1 4.32Å; L179-I373 HydrophobicContact CD2-CD1 4Å; L179-I373 HydrophobicContact CD2-CG1 4.24Å; L179-M376 HydrophobicContact CB-CE 4.36Å; L179-M376 HydrophobicContact CD1-CE 4.39Å
180	I	98.9	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	111.3	-179.5	-56.5	167.6	0	0	0	109	I155 I178 T182 L321 L323 I336 I349 Y350 A351 I352 V355	I155-I180 HydrophobicContact CD1-CD1 3.86Å; I155-I180 HydrophobicContact CD1-CG1 4.11Å; I178-I180 HydrophobicContact CG2-CG1 4.45Å; I180-T182 HydrophobicContact CG2-CG2 4.1Å; I180-L321 HydrophobicContact CD1-CD2 4.23Å; I180-L321 HydrophobicContact CG1-CD2 4.38Å; I180-L321 HydrophobicContact CG2-CD2 3.61Å; I180-L323 HydrophobicContact CD1-CD2 3.86Å; I180-I336 HydrophobicContact CB-CD1 4.31Å; I180-I336 HydrophobicContact CD1-CD1 3.75Å; I180-I336 HydrophobicContact CG2-CD1 3.79Å; I180-I349 HydrophobicContact CD1-CG2 3.79Å; I180-I349 HydrophobicContact CG1-CG2 4.34Å; I180-Y350 WeakPolarHBondContact CB-O 3.43Å; I180-Y350 WeakPolarHBondContact CG1-O 3.09Å; I180-Y350 PolarHBondContact N-O 3.14Å; I180-A351 HydrophobicContact CB-CB 3.99Å; I180-A351 WeakPolarHBondContact O-CA 3.02Å; I180-I352 PolarHBondContact O-N 3.15Å; I180-V355 HydrophobicContact CG2-CG1 4.22Å
181	A	98.9	Very high	98.1	Very high	8 Å²	8	34.5 Å²	34.5	7%	0.066	21%	0.212	C	C	.	.			trans	-126.3	32	177.9	0	0	0	0	0	111	V45 V46 G52 L179 G183 I352	V45-A181 HydrophobicContact CG1-CB 4.03Å; V46-A181 CarbonylContact O-C 3.59Å; V46-A181 WeakPolarHBondContact O-CA 3.24Å; V46-A181 PolarHBondContact O-N 2.88Å; G52-A181 VanDerWaalsContact CA-CB 3.45Å; L179-A181 PolarHBondContact O-N 2.91Å; A181-G183 PolarHBondContact O-N 3.48Å; A181-I352 HydrophobicContact CB-CD1 4.14Å; A181-I352 HydrophobicContact CB-CG1 4Å
182	T	98.9	Very high	98.1	Very high	30 Å²	30	34 Å²	34	18%	0.184	21%	0.21	C	C	.	.			trans	-67.8	-13.4	-173.6	49.6	0	0	0	0	114.3	V46 I180 F317 L321	V46-T182 HydrophobicContact CB-CG2 4.44Å; V46-T182 HydrophobicContact CG1-CG2 3.91Å; V46-T182 PolarHBondContact O-N 3.5Å; V46-T182 VanDerWaalsContact O-N 3.17Å; I180-T182 HydrophobicContact CG2-CG2 4.1Å; T182-F317 VanDerWaalsContact CB-O 3.25Å; T182-F317 WeakPolarHBondContact CB-O 3.28Å; T182-F317 PolarHBondContact OG1-O 3.16Å; T182-L321 HydrophobicContact CG2-CD1 4.1Å; T182-L321 HydrophobicContact CG2-CD2 4.13Å
183	G	98.7	Very high	98.1	Very high	15 Å²	15	40.9 Å²	40.9	16%	0.155	24%	0.241	C	C	.	.			trans	74.6	-135.5	167.2	0	0	0	0	0	114	A181 F317	A181-G183 PolarHBondContact O-N 3.48Å; G183-F317 PolarHBondContact O-N 2.97Å
184	S	98.8	Very high	98	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.07	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	163.8	-172.8	60.3	0	0	0	0	113.6	R314 R315 D354 M360	S184-R314 PolarHBondContact O-NH2 3.48Å; S184-R314 VanDerWaalsContact OG-CZ 3.31Å; S184-R314 PolarHBondContact OG-NE 3.02Å; S184-R314 PolarHBondContact OG-NH2 2.9Å; S184-R315 CarbonylContact C-O 3.6Å; S184-R315 WeakPolarHBondContact CA-O 3.19Å; S184-R315 WeakPolarHBondContact CB-O 3.23Å; S184-D354 VanDerWaalsContact CB-OD2 3.22Å; S184-D354 WeakPolarHBondContact CB-OD2 3.43Å; S184-D354 PolarHBondContact OG-OD2 3.46Å; S184-M360 VanDerWaalsContact CB-CE 3.45Å
185	E	98.4	Very high	98	Very high	57 Å²	57	43.6 Å²	43.6	27%	0.266	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	174.1	167.3	60.8	176.2	-163.5	0	0	111.5	R314 R315 F317	E185-R314 CarbonylContact O-C 3.26Å; E185-R314 VanDerWaalsContact O-CA 3.24Å; E185-R314 WeakPolarHBondContact O-CA 3.3Å; E185-R314 WeakPolarHBondContact O-CB 3.4Å; E185-R315 HydrophobicContact CG-CG 3.79Å; E185-R315 PolarHBondContact N-O 2.88Å; E185-R315 PolarHBondContact O-N 3.31Å; E185-R315 IonicContact OE1-CZ 3.97Å; E185-R315 IonicContact OE1-NE 2.77Å; E185-R315 PolarHBondContact OE1-NE 2.7Å; E185-R315 IonicContact OE1-NH2 3.92Å; E185-R315 PolarHBondContact OE1-NH2 2.78Å; E185-F317 HydrophobicContact CB-CD2 4.46Å; E185-F317 HydrophobicContact CG-CD2 4.28Å; E185-F317 WeakPolarHBondContact OE2-CD2 3.31Å
186	V	98.3	Very high	97.9	Very high	32 Å²	32	46.7 Å²	46.7	19%	0.194	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	136.1	175.8	177.9	0	0	0	0	109.2	P188 I194	V186-P188 VanDerWaalsContact O-CD 3.32Å; V186-P188 WeakPolarHBondContact O-CD 3.34Å; V186-I194 HydrophobicContact CG1-CD1 4.44Å
187	T	98.2	Very high	97.8	Very high	37 Å²	37	47.9 Å²	47.9	23%	0.227	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-74.5	116.9	172.2	-60.1	0	0	0	0	109.2	I312 G313 R314	T187-I312 HydrophobicContact CG2-CD1 4Å; T187-I312 HydrophobicContact CG2-CG1 4.38Å; T187-G313 PolarHBondContact N-O 3.38Å; T187-R314 WeakPolarHBondContact OG1-CA 3.32Å; T187-R314 PolarHBondContact OG1-N 2.89Å; T187-R314 PolarHBondContact OG1-O 2.97Å
188	P	96	Very high	97.7	Very high	61 Å²	61	47.5 Å²	47.5	40%	0.396	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-70.3	141.7	178.8	29.7	-34.8	0	0	0	110.8	V186	V186-P188 VanDerWaalsContact O-CD 3.32Å; V186-P188 WeakPolarHBondContact O-CD 3.34Å
189	F	97.4	Very high	97.7	Very high	34 Å²	34	47.9 Å²	47.9	15%	0.149	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-84.2	120.9	173.9	-170.9	-70.3	0	0	0	109.5	G191 I192 I218 V277 V310 I312	F189-G191 PolarHBondContact O-N 3.44Å; F189-I192 HydrophobicContact CB-CB 4.2Å; F189-I192 HydrophobicContact CD1-CB 3.96Å; F189-I192 HydrophobicContact CD1-CD1 3.52Å; F189-I192 HydrophobicContact CD1-CG1 3.62Å; F189-I192 HydrophobicContact CE1-CD1 3.77Å; F189-I192 HydrophobicContact CE1-CG1 4.09Å; F189-I192 HydrophobicContact CG-CB 4.37Å; F189-I192 HydrophobicContact CG-CD1 3.99Å; F189-I192 HydrophobicContact CG-CG1 4.34Å; F189-I192 HydrophobicContact CZ-CD1 4.4Å; F189-I192 PolarHBondContact O-N 3.46Å; F189-I218 HydrophobicContact CD2-CD1 4.47Å; F189-I218 HydrophobicContact CD2-CG2 4.2Å; F189-I218 HydrophobicContact CE2-CG2 4.13Å; F189-V277 HydrophobicContact CE1-CG1 4.45Å; F189-V277 HydrophobicContact CE2-CB 4.08Å; F189-V277 HydrophobicContact CE2-CG1 4.4Å; F189-V277 HydrophobicContact CZ-CB 3.86Å; F189-V277 HydrophobicContact CZ-CG1 3.94Å; F189-V310 HydrophobicContact CB-CG1 3.81Å; F189-I312 HydrophobicContact CB-CD1 4.06Å; F189-I312 HydrophobicContact CD2-CD1 4.05Å; F189-I312 HydrophobicContact CD2-CG2 3.94Å; F189-I312 HydrophobicContact CE2-CG2 4.47Å; F189-I312 HydrophobicContact CG-CD1 4.45Å
190	P	95.3	Very high	97.7	Very high	112 Å²	112	47.9 Å²	47.9	73%	0.727	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	123.2	-179.2	-25.3	35.4	0	0	0	112.3
191	G	94.7	Very high	97.7	Very high	78 Å²	78	48 Å²	48	80%	0.804	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	0	-178.3	0	0	0	0	0	115.7	F189	F189-G191 PolarHBondContact O-N 3.44Å
192	I	97.8	Very high	97.7	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.046	28%	0.279	C	S	.	.			trans	-118.8	110.5	171.4	-61.4	179	0	0	0	108.7	F189 I199 I218 V277 A280 L308 V310	F189-I192 HydrophobicContact CB-CB 4.2Å; F189-I192 HydrophobicContact CD1-CB 3.96Å; F189-I192 HydrophobicContact CD1-CD1 3.52Å; F189-I192 HydrophobicContact CD1-CG1 3.62Å; F189-I192 HydrophobicContact CE1-CD1 3.77Å; F189-I192 HydrophobicContact CE1-CG1 4.09Å; F189-I192 HydrophobicContact CG-CB 4.37Å; F189-I192 HydrophobicContact CG-CD1 3.99Å; F189-I192 HydrophobicContact CG-CG1 4.34Å; F189-I192 HydrophobicContact CZ-CD1 4.4Å; F189-I192 PolarHBondContact O-N 3.46Å; I192-I199 HydrophobicContact CG2-CG2 3.6Å; I192-I218 HydrophobicContact CD1-CD1 3.83Å; I192-V277 HydrophobicContact CD1-CG1 4.01Å; I192-A280 HydrophobicContact CD1-CB 3.78Å; I192-A280 HydrophobicContact CG1-CB 4.03Å; I192-A280 HydrophobicContact CG2-CB 4.42Å; I192-L308 HydrophobicContact CG2-CD2 4.35Å; I192-V310 HydrophobicContact CG2-CG2 4.12Å
193	Q	97.4	Very high	97.7	Very high	170 Å²	170	49.1 Å²	49.1	79%	0.794	29%	0.285	S	S	*	.			trans	-84	122.6	176.5	-176.9	172.2	-9.7	0	0	110.5	I199	Q193-I199 WeakPolarHBondContact O-CG2 3.22Å
194	I	98.4	Very high	97.7	Very high	47 Å²	47	48.8 Å²	48.8	24%	0.241	28%	0.281	C	S	.	.			trans	-75.8	135.4	171.9	-66	171.5	0	0	0	108.9	V186 E196 I199 V310	V186-I194 HydrophobicContact CG1-CD1 4.44Å; I194-E196 HydrophobicContact CG2-CG 3.97Å; I194-I199 CarbonylContact C-O 3.59Å; I194-I199 VanDerWaalsContact CA-O 3.25Å; I194-I199 WeakPolarHBondContact CA-O 3.19Å; I194-I199 HydrophobicContact CG1-CG2 4.41Å; I194-I199 VanDerWaalsContact CG2-O 3.31Å; I194-I199 WeakPolarHBondContact CG2-O 3.25Å; I194-V310 HydrophobicContact CD1-CB 3.99Å; I194-V310 HydrophobicContact CD1-CG1 4.26Å; I194-V310 HydrophobicContact CD1-CG2 4.41Å; I194-V310 HydrophobicContact CG1-CB 4.27Å; I194-V310 HydrophobicContact CG1-CG2 4.14Å
195	D	97.3	Very high	97.7	Very high	48 Å²	48	48.3 Å²	48.3	26%	0.257	28%	0.278	S	S	.	.			trans	-114.1	-16.8	176.6	64	7.9	0	0	0	113.3	E197 S198 I199 K282	D195-E197 PolarHBondContact O-N 3.17Å; D195-E197 PolarHBondContact OD1-N 3.04Å; D195-S198 PolarHBondContact OD1-N 2.85Å; D195-S198 PolarHBondContact OD2-N 2.88Å; D195-S198 PolarHBondContact OD2-OG 3.01Å; D195-I199 PolarHBondContact N-O 3.32Å; D195-I199 VanDerWaalsContact OD1-C 3.3Å; D195-I199 WeakPolarHBondContact OD1-CA 3.19Å; D195-I199 PolarHBondContact OD1-N 2.84Å; D195-I199 PolarHBondContact OD2-N 2.83Å; D195-K282 WeakPolarHBondContact OD2-CE 3.49Å; D195-K282 IonicContact OD2-NZ 3.1Å; D195-K282 PolarHBondContact OD2-NZ 3.02Å
196	E	98.2	Very high	97.7	Very high	75 Å²	75	45.8 Å²	45.8	35%	0.35	27%	0.266	S	S	.	.	S	Bend	trans	61	14.3	-170	-52.5	-70.6	-163.1	0	0	115.4	I194 I199 S201 G204	I194-E196 HydrophobicContact CG2-CG 3.97Å; E196-I199 PolarHBondContact N-O 2.84Å; E196-S201 VanDerWaalsContact OE1-CB 3.23Å; E196-S201 WeakPolarHBondContact OE1-CB 3.28Å; E196-S201 PolarHBondContact OE1-OG 2.94Å; E196-S201 PolarHBondContact OE2-N 3.01Å; E196-S201 PolarHBondContact OE2-OG 2.9Å; E196-G204 VanDerWaalsContact OE2-CA 3.29Å; E196-G204 WeakPolarHBondContact OE2-CA 3.2Å; E196-G204 PolarHBondContact OE2-N 3.46Å
197	E	95.7	Very high	97.7	Very high	155 Å²	155	47 Å²	47	72%	0.724	28%	0.276	S	S	*	.	S	Bend	trans	-108.8	-44.1	172.8	-61.6	-174.8	150.8	0	0	112.6	D195	D195-E197 PolarHBondContact O-N 3.17Å; D195-E197 PolarHBondContact OD1-N 3.04Å
198	S	97.4	Very high	97.7	Very high	19 Å²	19	45.9 Å²	45.9	13%	0.133	27%	0.269	C	S	.	.	S	Bend	trans	-143.3	-36.3	-171.3	66.7	0	0	0	0	112.9	D195 K282 I288 V307 L308	D195-S198 PolarHBondContact OD1-N 2.85Å; D195-S198 PolarHBondContact OD2-N 2.88Å; D195-S198 PolarHBondContact OD2-OG 3.01Å; S198-K282 WeakPolarHBondContact OG-CE 3.43Å; S198-K282 PolarHBondContact OG-NZ 2.86Å; S198-K282 VanDerWaalsContact OG-NZ 3.17Å; S198-I288 VanDerWaalsContact O-CD1 3.28Å; S198-I288 WeakPolarHBondContact O-CD1 3.4Å; S198-V307 CarbonylContact O-C 3.56Å; S198-V307 WeakPolarHBondContact O-CA 3.5Å; S198-L308 PolarHBondContact O-N 3.36Å
199	I	98.6	Very high	97.7	Very high	9 Å²	9	50.9 Å²	50.9	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	91.6	165	-57.7	177.4	0	0	0	106.2	I192 Q193 I194 D195 E196 K282 I288 L308 V310	I192-I199 HydrophobicContact CG2-CG2 3.6Å; Q193-I199 WeakPolarHBondContact O-CG2 3.22Å; I194-I199 CarbonylContact C-O 3.59Å; I194-I199 VanDerWaalsContact CA-O 3.25Å; I194-I199 WeakPolarHBondContact CA-O 3.19Å; I194-I199 HydrophobicContact CG1-CG2 4.41Å; I194-I199 VanDerWaalsContact CG2-O 3.31Å; I194-I199 WeakPolarHBondContact CG2-O 3.25Å; D195-I199 PolarHBondContact N-O 3.32Å; D195-I199 VanDerWaalsContact OD1-C 3.3Å; D195-I199 WeakPolarHBondContact OD1-CA 3.19Å; D195-I199 PolarHBondContact OD1-N 2.84Å; D195-I199 PolarHBondContact OD2-N 2.83Å; E196-I199 PolarHBondContact N-O 2.84Å; I199-K282 HydrophobicContact CD1-CG 4.18Å; I199-I288 HydrophobicContact CG1-CD1 3.72Å; I199-I288 HydrophobicContact CG1-CG1 4.29Å; I199-L308 CarbonylContact C-O 3.35Å; I199-L308 WeakPolarHBondContact CA-O 3.48Å; I199-L308 HydrophobicContact CG1-CB 4.4Å; I199-L308 HydrophobicContact CG1-CD2 4.48Å; I199-L308 HydrophobicContact CG2-CD2 4.27Å; I199-V310 HydrophobicContact CG2-CG2 4.04Å
200	V	98.8	Very high	97.8	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	151.5	-166.1	-58.1	0	0	0	0	112.1	A205 L208 V307 L308 L309 V310	V200-A205 HydrophobicContact CG2-CB 3.79Å; V200-L208 HydrophobicContact CG1-CD2 4.01Å; V200-V307 HydrophobicContact CG1-CG1 4.46Å; V200-V307 HydrophobicContact CG2-CG1 3.82Å; V200-L308 PolarHBondContact N-O 3.05Å; V200-L309 HydrophobicContact CG2-CB 4.2Å; V200-L309 HydrophobicContact CG2-CD1 4.37Å; V200-L309 WeakPolarHBondContact O-CA 3.45Å; V200-V310 PolarHBondContact O-N 2.84Å
201	S	98.8	Very high	97.9	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.014	29%	0.293	C	S	.	.			trans	-84.3	-172	158.9	83.3	0	0	0	0	110.1	E196 T203 G204 A205 L309	E196-S201 VanDerWaalsContact OE1-CB 3.23Å; E196-S201 WeakPolarHBondContact OE1-CB 3.28Å; E196-S201 PolarHBondContact OE1-OG 2.94Å; E196-S201 PolarHBondContact OE2-N 3.01Å; E196-S201 PolarHBondContact OE2-OG 2.9Å; S201-T203 PolarHBondContact O-N 3.44Å; S201-T203 VanDerWaalsContact O-N 3.13Å; S201-T203 WeakPolarHBondContact OG-CB 3.29Å; S201-T203 PolarHBondContact OG-N 2.8Å; S201-T203 PolarHBondContact OG-OG1 3.07Å; S201-T203 VanDerWaalsContact OG-OG1 3.13Å; S201-G204 PolarHBondContact O-N 2.87Å; S201-A205 VanDerWaalsContact O-CB 3.3Å; S201-A205 WeakPolarHBondContact O-CB 3.38Å; S201-A205 PolarHBondContact O-N 3.5Å; S201-L309 VanDerWaalsContact C-CD1 3.42Å; S201-L309 WeakPolarHBondContact O-CD1 3.32Å
202	S	98.5	Very high	98.1	Very high	11 Å²	11	49.4 Å²	49.4	8%	0.077	26%	0.256	C	S	.	.	H	α-helix	trans	-54.9	-25.1	166.2	57.2	0	0	0	0	113	L206	S202-L206 WeakPolarHBondContact O-CB 3.34Å; S202-L206 WeakPolarHBondContact O-CD1 3.48Å; S202-L206 WeakPolarHBondContact O-CG 3.23Å; S202-L206 PolarHBondContact O-N 3.08Å; S202-L206 VanDerWaalsContact O-N 3.14Å
203	T	98.5	Very high	98.2	Very high	51 Å²	51	55.3 Å²	55.3	31%	0.313	28%	0.283	S	S	.	.	H	α-helix	trans	-70.3	-54	-178.5	-47.6	0	0	0	0	112	V82 S201 L206 S207	V82-T203 HydrophobicContact CB-CG2 4.26Å; V82-T203 HydrophobicContact CG1-CG2 3.81Å; S201-T203 PolarHBondContact O-N 3.44Å; S201-T203 VanDerWaalsContact O-N 3.13Å; S201-T203 WeakPolarHBondContact OG-CB 3.29Å; S201-T203 PolarHBondContact OG-N 2.8Å; S201-T203 PolarHBondContact OG-OG1 3.07Å; S201-T203 VanDerWaalsContact OG-OG1 3.13Å; T203-L206 PolarHBondContact O-N 3.2Å; T203-S207 PolarHBondContact O-OG 2.68Å
204	G	98.6	Very high	98.2	Very high	7 Å²	7	49.8 Å²	49.8	7%	0.072	26%	0.257	C	S	.	.	H	α-helix	trans	-66	-40.5	174.1	0	0	0	0	0	112.2	E196 S201 L206 S207 L208	E196-G204 VanDerWaalsContact OE2-CA 3.29Å; E196-G204 WeakPolarHBondContact OE2-CA 3.2Å; E196-G204 PolarHBondContact OE2-N 3.46Å; S201-G204 PolarHBondContact O-N 2.87Å; G204-L206 PolarHBondContact O-N 3.33Å; G204-L206 VanDerWaalsContact O-N 3.15Å; G204-S207 CarbonylContact O-C 3.55Å; G204-S207 WeakPolarHBondContact O-CA 3.26Å; G204-S207 PolarHBondContact O-N 3.09Å; G204-L208 WeakPolarHBondContact O-CD2 3.24Å; G204-L208 PolarHBondContact O-N 3.31Å; G204-L208 VanDerWaalsContact O-N 3.15Å
205	A	98.7	Very high	98.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-19.3	176.5	0	0	0	0	0	114.4	V200 S201 S207 L227 W231 L309	V200-A205 HydrophobicContact CG2-CB 3.79Å; S201-A205 VanDerWaalsContact O-CB 3.3Å; S201-A205 WeakPolarHBondContact O-CB 3.38Å; S201-A205 PolarHBondContact O-N 3.5Å; A205-S207 VanDerWaalsContact C-N 3.31Å; A205-L227 HydrophobicContact CB-CD1 4.05Å; A205-W231 WeakPolarHBondContact O-CZ2 3.4Å; A205-W231 PolarHBondContact O-NE1 3.42Å; A205-L309 HydrophobicContact CB-CD1 3.88Å; A205-L309 HydrophobicContact CB-CD2 4.17Å; A205-L309 HydrophobicContact CB-CG 4.47Å
206	L	98.8	Very high	98.3	Very high	4 Å²	4	45.5 Å²	45.5	2%	0.021	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-4.9	170.9	-78.6	170.3	0	0	0	113.5	V82 P86 L90 M123 K126 S202 T203 G204 L227	V82-L206 WeakPolarHBondContact O-CD1 3.44Å; P86-L206 HydrophobicContact CB-CD1 4.09Å; P86-L206 HydrophobicContact CB-CD2 4.17Å; P86-L206 HydrophobicContact CG-CD1 3.8Å; L90-L206 HydrophobicContact CD1-CD2 4Å; M123-L206 WeakPolarHBondContact CE-O 3.44Å; K126-L206 PolarHBondContact NZ-O 3.25Å; S202-L206 WeakPolarHBondContact O-CB 3.34Å; S202-L206 WeakPolarHBondContact O-CD1 3.48Å; S202-L206 WeakPolarHBondContact O-CG 3.23Å; S202-L206 PolarHBondContact O-N 3.08Å; S202-L206 VanDerWaalsContact O-N 3.14Å; T203-L206 PolarHBondContact O-N 3.2Å; G204-L206 PolarHBondContact O-N 3.33Å; G204-L206 VanDerWaalsContact O-N 3.15Å; L206-L227 HydrophobicContact CD2-CD2 3.6Å; L206-L227 HydrophobicContact CG-CD2 4.09Å
207	S	98.3	Very high	98.4	Very high	58 Å²	58	42 Å²	42	41%	0.406	22%	0.218	S	C	.	.	S	Bend	trans	-143.4	21.4	-166.8	-49.8	0	0	0	0	114	K126 T203 G204 A205 N209	K126-S207 PolarHBondContact NZ-OG 3.41Å; K126-S207 VanDerWaalsContact NZ-OG 3.16Å; T203-S207 PolarHBondContact O-OG 2.68Å; G204-S207 CarbonylContact O-C 3.55Å; G204-S207 WeakPolarHBondContact O-CA 3.26Å; G204-S207 PolarHBondContact O-N 3.09Å; A205-S207 VanDerWaalsContact C-N 3.31Å; S207-N209 PolarHBondContact O-N 2.88Å
208	L	98.5	Very high	98.5	Very high	14 Å²	14	34.9 Å²	34.9	7%	0.073	19%	0.186	C	C	.	.			trans	-60.5	135	177.8	-54	178.7	0	0	0	111.4	V200 G204 K210 P212 W231 V307	V200-L208 HydrophobicContact CG1-CD2 4.01Å; G204-L208 WeakPolarHBondContact O-CD2 3.24Å; G204-L208 PolarHBondContact O-N 3.31Å; G204-L208 VanDerWaalsContact O-N 3.15Å; L208-K210 VanDerWaalsContact C-N 3.27Å; L208-K210 PolarHBondContact O-N 2.9Å; L208-P212 HydrophobicContact CD1-CG 4.27Å; L208-W231 HydrophobicContact CB-CH2 3.71Å; L208-W231 HydrophobicContact CB-CZ2 3.73Å; L208-W231 HydrophobicContact CB-CZ3 4.47Å; L208-W231 HydrophobicContact CD1-CD2 4.1Å; L208-W231 HydrophobicContact CD1-CH2 4.23Å; L208-W231 HydrophobicContact CD1-CZ2 3.76Å; L208-W231 HydrophobicContact CG-CH2 4.26Å; L208-W231 HydrophobicContact CG-CZ2 3.78Å; L208-V307 HydrophobicContact CD1-CG1 4.14Å; L208-V307 HydrophobicContact CD1-CG2 4.37Å; L208-V307 HydrophobicContact CD2-CG1 4.35Å
209	N	97.1	Very high	98.5	Very high	166 Å²	166	34.2 Å²	34.2	89%	0.888	18%	0.182	S	C	*	.	S	Bend	trans	-75.1	-13.8	-177	-62	-31.4	0	0	0	113.8	S207	S207-N209 PolarHBondContact O-N 2.88Å
210	K	98.1	Very high	98.5	Very high	147 Å²	147	33.8 Å²	33.8	64%	0.639	18%	0.18	S	C	*	.	S	Bend	trans	-147.1	158.5	176.9	61.7	173	-177.8	170.8	0	109.8	L208	L208-K210 VanDerWaalsContact C-N 3.27Å; L208-K210 PolarHBondContact O-N 2.9Å
211	V	98.7	Very high	98.5	Very high	41 Å²	41	34.7 Å²	34.7	25%	0.248	19%	0.189	C	C	.	.			trans	-69.9	126.7	165.6	-178.4	0	0	0	0	108.1	L117 L119 W231 L234 S236	L117-V211 HydrophobicContact CD2-CG2 3.56Å; L119-V211 HydrophobicContact CD2-CG2 4.37Å; V211-W231 HydrophobicContact CG1-CE3 4.46Å; V211-W231 HydrophobicContact CG2-CE3 4.28Å; V211-W231 HydrophobicContact CG2-CZ3 4.05Å; V211-L234 HydrophobicContact CG1-CB 4.41Å; V211-L234 HydrophobicContact CG2-CB 3.96Å; V211-S236 WeakPolarHBondContact CG1-OG 3.42Å
212	P	98.4	Very high	98.4	Very high	4 Å²	4	37 Å²	37	3%	0.026	20%	0.202	C	C	.	.			trans	-72.8	154.2	172.3	27.7	-31.3	0	0	0	111.5	L208 M215 S236 D306 V307	L208-P212 HydrophobicContact CD1-CG 4.27Å; P212-M215 HydrophobicContact CG-CB 4.04Å; P212-M215 HydrophobicContact CG-CG 4.45Å; P212-M215 HydrophobicContact CG-SD 4.38Å; P212-S236 VanDerWaalsContact CD-OG 3.32Å; P212-S236 WeakPolarHBondContact CD-OG 3.46Å; P212-S236 WeakPolarHBondContact CG-OG 3.4Å; P212-S236 WeakPolarHBondContact O-CA 3.33Å; P212-S236 VanDerWaalsContact O-CB 3.26Å; P212-S236 WeakPolarHBondContact O-CB 3.34Å; P212-S236 PolarHBondContact O-OG 3.45Å; P212-D306 HydrophobicContact CB-CB 4.27Å; P212-V307 HydrophobicContact CB-CB 4.1Å; P212-V307 HydrophobicContact CB-CG2 3.82Å; P212-V307 HydrophobicContact CG-CB 4.27Å; P212-V307 HydrophobicContact CG-CG2 4.22Å
213	E	98.6	Very high	98.5	Very high	133 Å²	133	39.3 Å²	39.3	62%	0.621	21%	0.213	S	C	*	.	S	Bend	trans	-78.8	-51.4	177.3	178.1	-170.2	-155.7	0	0	109.6	T237 K287 D306	E213-T237 WeakPolarHBondContact O-CB 3.5Å; E213-T237 PolarHBondContact O-N 3.34Å; E213-K287 IonicContact OE2-NZ 3.78Å; E213-K287 PolarHBondContact OE2-NZ 3.13Å; E213-K287 VanDerWaalsContact OE2-NZ 3.07Å; E213-D306 WeakPolarHBondContact CA-OD2 3.39Å; E213-D306 VanDerWaalsContact CB-OD2 3.26Å; E213-D306 WeakPolarHBondContact CB-OD2 3.32Å; E213-D306 PolarHBondContact N-OD2 3.41Å
214	E	98.8	Very high	98.5	Very high	55 Å²	55	37 Å²	37	26%	0.257	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.9	171.3	-77.5	-76	176	0	0	110.2	T237 K270 C305 D306 V307	E214-T237 WeakPolarHBondContact CA-O 3.31Å; E214-T237 VanDerWaalsContact CD-CB 3.43Å; E214-T237 VanDerWaalsContact CD-CG2 3.47Å; E214-T237 WeakPolarHBondContact OE1-CB 3.28Å; E214-T237 WeakPolarHBondContact OE1-CG2 3.39Å; E214-T237 WeakPolarHBondContact OE2-CB 3.43Å; E214-T237 WeakPolarHBondContact OE2-CG2 3.4Å; E214-K270 IonicContact OE1-NZ 2.88Å; E214-C305 HydrophobicContact CB-CB 4.33Å; E214-C305 WeakPolarHBondContact O-CB 3.24Å; E214-D306 PolarHBondContact N-OD2 3.24Å; E214-D306 PolarHBondContact O-N 2.89Å; E214-V307 PolarHBondContact O-N 3.2Å
215	M	98.9	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.9	178.3	-175	-176.4	-176.9	0	0	110.9	P212 V217 W231 T237 V238 T239 V307 L309	P212-M215 HydrophobicContact CG-CB 4.04Å; P212-M215 HydrophobicContact CG-CG 4.45Å; P212-M215 HydrophobicContact CG-SD 4.38Å; M215-V217 HydrophobicContact CE-CG2 4.29Å; M215-W231 HydrophobicContact SD-CB 3.79Å; M215-W231 HydrophobicContact SD-CG 3.91Å; M215-T237 PolarHBondContact N-O 3.35Å; M215-V238 HydrophobicContact CB-CG1 4.49Å; M215-V238 HydrophobicContact CB-CG2 4.25Å; M215-V238 WeakPolarHBondContact O-CA 3.14Å; M215-T239 PolarHBondContact O-N 3.31Å; M215-V307 WeakPolarHBondContact CA-O 3.35Å; M215-V307 HydrophobicContact CE-CG1 4.38Å; M215-V307 HydrophobicContact CG-CB 4.38Å; M215-V307 HydrophobicContact CG-CG1 4.4Å; M215-L309 HydrophobicContact CE-CB 3.59Å; M215-L309 HydrophobicContact CE-CD2 3.91Å; M215-L309 HydrophobicContact CE-CG 4.39Å
216	I	98.9	Very high	98.5	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.3	172.1	-68.8	166.8	0	0	0	109.4	T239 V241 V290 L303 C305 V307 L308 L309	I216-T239 WeakPolarHBondContact CA-O 3.26Å; I216-V241 HydrophobicContact CG2-CG2 4.09Å; I216-V290 HydrophobicContact CD1-CB 4.24Å; I216-V290 HydrophobicContact CD1-CG2 3.87Å; I216-V290 HydrophobicContact CG2-CG2 4.47Å; I216-L303 HydrophobicContact CD1-CB 3.46Å; I216-L303 VanDerWaalsContact CD1-CB 3.46Å; I216-L303 HydrophobicContact CD1-CD1 4.45Å; I216-C305 HydrophobicContact CB-CB 4.22Å; I216-C305 HydrophobicContact CD1-CB 3.76Å; I216-C305 HydrophobicContact CG1-CB 3.77Å; I216-V307 PolarHBondContact N-O 2.63Å; I216-L308 HydrophobicContact CB-CD1 3.81Å; I216-L308 HydrophobicContact CG2-CD1 3.58Å; I216-L308 WeakPolarHBondContact O-CA 3.39Å; I216-L309 PolarHBondContact O-N 3.23Å
217	V	98.9	Very high	98.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	119.3	179.8	-177.1	0	0	0	0	108.7	M215 V238 T239 A240 V241 L309 C311	M215-V217 HydrophobicContact CE-CG2 4.29Å; V217-V238 HydrophobicContact CG2-CG1 3.82Å; V217-T239 PolarHBondContact N-O 2.93Å; V217-A240 HydrophobicContact CB-CB 4.36Å; V217-A240 CarbonylContact O-C 3.39Å; V217-A240 WeakPolarHBondContact O-CA 3.26Å; V217-V241 PolarHBondContact O-N 3.34Å; V217-L309 HydrophobicContact CG1-CB 4.48Å; V217-L309 HydrophobicContact CG1-CD2 3.97Å; V217-L309 HydrophobicContact CG1-CG 4.17Å; V217-L309 HydrophobicContact CG2-CB 4.33Å; V217-L309 HydrophobicContact CG2-CD2 4.28Å; V217-C311 WeakPolarHBondContact CG1-SG 3.43Å
218	I	98.7	Very high	98.5	Very high	7 Å²	7	34 Å²	34	4%	0.036	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	108	176	-47.9	-178.3	0	0	0	109.1	F189 I192 V277 L308 L309 V310 C311 I312	F189-I218 HydrophobicContact CD2-CD1 4.47Å; F189-I218 HydrophobicContact CD2-CG2 4.2Å; F189-I218 HydrophobicContact CE2-CG2 4.13Å; I192-I218 HydrophobicContact CD1-CD1 3.83Å; I218-V277 HydrophobicContact CD1-CG1 4.13Å; I218-V277 HydrophobicContact CD1-CG2 4.15Å; I218-V277 HydrophobicContact CG1-CG2 4.18Å; I218-V277 HydrophobicContact CG2-CG2 3.94Å; I218-L308 HydrophobicContact CD1-CD1 3.94Å; I218-L308 HydrophobicContact CD1-CD2 4.26Å; I218-L308 HydrophobicContact CD1-CG 4.31Å; I218-L308 HydrophobicContact CG1-CD1 3.77Å; I218-L309 PolarHBondContact N-O 2.95Å; I218-V310 HydrophobicContact CD1-CG2 4.39Å; I218-C311 CarbonylContact O-C 3.46Å; I218-C311 VanDerWaalsContact O-C 3.27Å; I218-C311 PolarHBondContact O-N 2.97Å; I218-C311 PolarHBondContact O-SG 3.11Å; I218-I312 HydrophobicContact CB-CG2 4.33Å; I218-I312 HydrophobicContact CG2-CG2 3.55Å; I218-I312 PolarHBondContact O-N 3.1Å
219	G	97.9	Very high	98.5	Very high	5 Å²	5	33.5 Å²	33.5	5%	0.052	18%	0.175	C	C	.	.			trans	103.2	121.7	-174.6	0	0	0	0	0	112.2	V241 E242 C311	G219-V241 PolarHBondContact N-O 3.26Å; G219-E242 WeakPolarHBondContact CA-OE2 3.4Å; G219-C311 PolarHBondContact O-SG 3.29Å
220	A	98.2	Very high	98.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.132	C	C	.	.			trans	-98.1	22.7	175.1	0	0	0	0	0	112.7	V225 A240 E242 V247 G248 F271	A220-V225 HydrophobicContact CB-CG1 4.38Å; A220-V225 WeakPolarHBondContact O-CG1 3.31Å; A220-A240 HydrophobicContact CB-CB 4.31Å; A220-E242 HydrophobicContact CB-CB 3.72Å; A220-E242 HydrophobicContact CB-CG 3.97Å; A220-E242 PolarHBondContact N-OE2 3.34Å; A220-V247 HydrophobicContact CB-CB 4.34Å; A220-V247 HydrophobicContact CB-CG1 4.04Å; A220-G248 PolarHBondContact O-N 2.86Å; A220-F271 HydrophobicContact CB-CD1 4.31Å; A220-F271 HydrophobicContact CB-CE1 4.18Å
221	G	98	Very high	98.6	Very high	19 Å²	19	18.6 Å²	18.6	20%	0.196	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-68.5	172.1	165.7	0	0	0	0	0	112.8	I223 G224 V225	G221-I223 PolarHBondContact O-N 2.75Å; G221-I223 VanDerWaalsContact O-N 3.13Å; G221-G224 WeakPolarHBondContact O-CA 3.46Å; G221-G224 PolarHBondContact O-N 3.17Å; G221-V225 PolarHBondContact O-N 2.91Å; G221-V225 VanDerWaalsContact O-N 3.1Å
222	V	98.6	Very high	98.7	Very high	49 Å²	49	17.7 Å²	17.7	30%	0.297	10%	0.095	S	C	.	.	H	α-helix	trans	-37.6	-56.6	-174.8	-175.4	0	0	0	0	114.2	G224 V225 E226 G248 I392	V222-G224 VanDerWaalsContact C-N 3.33Å; V222-G224 PolarHBondContact O-N 3.17Å; V222-V225 VanDerWaalsContact O-CG2 3.31Å; V222-V225 WeakPolarHBondContact O-CG2 3.49Å; V222-V225 PolarHBondContact O-N 2.86Å; V222-E226 WeakPolarHBondContact O-CB 3.42Å; V222-E226 WeakPolarHBondContact O-CG 3.39Å; V222-E226 PolarHBondContact O-N 3.13Å; V222-G248 VanDerWaalsContact CG2-O 3.26Å; V222-G248 WeakPolarHBondContact CG2-O 3.39Å; V222-G248 PolarHBondContact N-O 3.2Å; V222-I392 HydrophobicContact CB-CG1 4.45Å; V222-I392 HydrophobicContact CG1-CB 4.44Å; V222-I392 HydrophobicContact CG1-CG1 4.08Å; V222-I392 HydrophobicContact CG1-CG2 4.3Å; V222-I392 HydrophobicContact CG2-CD1 4.16Å; V222-I392 HydrophobicContact CG2-CG1 3.95Å
223	I	98.6	Very high	98.7	Very high	60 Å²	60	18 Å²	18	31%	0.308	10%	0.096	S	C	.	.	H	α-helix	trans	-62.5	-39.7	-176.7	-63.9	170.8	0	0	0	111.6	G221 L227 C311	G221-I223 PolarHBondContact O-N 2.75Å; G221-I223 VanDerWaalsContact O-N 3.13Å; I223-L227 HydrophobicContact CG2-CD1 3.81Å; I223-L227 HydrophobicContact CG2-CG 4.35Å; I223-L227 WeakPolarHBondContact O-CB 3.2Å; I223-L227 WeakPolarHBondContact O-CG 3.18Å; I223-L227 PolarHBondContact O-N 2.78Å; I223-C311 HydrophobicContact CG2-CB 4.24Å
224	G	98.5	Very high	98.7	Very high	2 Å²	2	12 Å²	12	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-68.8	-43.5	-179.2	0	0	0	0	0	112.6	G221 V222 G228 C311	G221-G224 WeakPolarHBondContact O-CA 3.46Å; G221-G224 PolarHBondContact O-N 3.17Å; V222-G224 VanDerWaalsContact C-N 3.33Å; V222-G224 PolarHBondContact O-N 3.17Å; G224-G228 WeakPolarHBondContact O-CA 3.32Å; G224-G228 PolarHBondContact O-N 3.43Å; G224-C311 WeakPolarHBondContact CA-SG 3.46Å
225	V	98.7	Very high	98.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-73	-33.1	176.7	-63.7	0	0	0	0	112.8	A220 G221 V222 S229 F260 L264 F271 I392	A220-V225 HydrophobicContact CB-CG1 4.38Å; A220-V225 WeakPolarHBondContact O-CG1 3.31Å; G221-V225 PolarHBondContact O-N 2.91Å; G221-V225 VanDerWaalsContact O-N 3.1Å; V222-V225 VanDerWaalsContact O-CG2 3.31Å; V222-V225 WeakPolarHBondContact O-CG2 3.49Å; V222-V225 PolarHBondContact O-N 2.86Å; V225-S229 WeakPolarHBondContact O-CB 3.42Å; V225-S229 PolarHBondContact O-N 3.17Å; V225-S229 PolarHBondContact O-OG 3.23Å; V225-F260 HydrophobicContact CG2-CE1 4.14Å; V225-F260 HydrophobicContact CG2-CZ 4.14Å; V225-L264 HydrophobicContact CB-CD1 4.26Å; V225-L264 HydrophobicContact CG1-CD1 4.44Å; V225-F271 HydrophobicContact CG1-CE1 4.13Å; V225-F271 HydrophobicContact CG1-CZ 4.39Å; V225-I392 HydrophobicContact CG2-CG2 3.84Å
226	E	98.9	Very high	98.7	Very high	5 Å²	5	12.4 Å²	12.4	2%	0.023	9%	0.087	C	C	.	.	H	α-helix	trans	-64.1	-58.3	172.7	-80.7	-170.7	-178.8	0	0	111.5	S87 K88 L91 V222 G228 S229 V230 I392 Y393	S87-E226 PolarHBondContact OG-OE2 3.33Å; K88-E226 IonicContact NZ-OE1 2.7Å; K88-E226 PolarHBondContact NZ-OE1 3.4Å; K88-E226 IonicContact NZ-OE2 2.78Å; K88-E226 PolarHBondContact NZ-OE2 2.99Å; L91-E226 HydrophobicContact CD1-CB 4.08Å; L91-E226 HydrophobicContact CD1-CG 3.88Å; L91-E226 HydrophobicContact CD2-CB 4.28Å; L91-E226 HydrophobicContact CD2-CG 4.45Å; V222-E226 WeakPolarHBondContact O-CB 3.42Å; V222-E226 WeakPolarHBondContact O-CG 3.39Å; V222-E226 PolarHBondContact O-N 3.13Å; E226-G228 PolarHBondContact O-N 3.24Å; E226-S229 WeakPolarHBondContact O-CB 3.43Å; E226-S229 PolarHBondContact O-N 3.5Å; E226-S229 VanDerWaalsContact O-N 3.16Å; E226-V230 PolarHBondContact O-N 2.92Å; E226-I392 HydrophobicContact CG-CG2 4.17Å; E226-Y393 WeakPolarHBondContact OE1-CD2 3.44Å; E226-Y393 PolarHBondContact OE1-N 2.7Å
227	L	98.9	Very high	98.7	Very high	3 Å²	3	14.6 Å²	14.6	2%	0.016	10%	0.1	C	C	.	.	H	α-helix	trans	-69.1	-35.2	-176.5	-62.6	-179.7	0	0	0	112	A205 L206 I223 S229 V230 W231 L309	A205-L227 HydrophobicContact CB-CD1 4.05Å; L206-L227 HydrophobicContact CD2-CD2 3.6Å; L206-L227 HydrophobicContact CG-CD2 4.09Å; I223-L227 HydrophobicContact CG2-CD1 3.81Å; I223-L227 HydrophobicContact CG2-CG 4.35Å; I223-L227 WeakPolarHBondContact O-CB 3.2Å; I223-L227 WeakPolarHBondContact O-CG 3.18Å; I223-L227 PolarHBondContact O-N 2.78Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 3.46Å; L227-V230 WeakPolarHBondContact O-CB 3.45Å; L227-V230 PolarHBondContact O-N 3.49Å; L227-W231 VanDerWaalsContact O-CD1 3.23Å; L227-W231 PolarHBondContact O-N 2.85Å; L227-L309 HydrophobicContact CB-CD2 3.82Å; L227-L309 HydrophobicContact CD1-CD2 4.06Å
228	G	98.8	Very high	98.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-60.5	-41.7	170.3	0	0	0	0	0	112.2	G224 E226 Q232	G224-G228 WeakPolarHBondContact O-CA 3.32Å; G224-G228 PolarHBondContact O-N 3.43Å; E226-G228 PolarHBondContact O-N 3.24Å; G228-Q232 WeakPolarHBondContact O-CB 3.36Å; G228-Q232 PolarHBondContact O-N 2.85Å
229	S	98.9	Very high	98.7	Very high	2 Å²	2	15 Å²	15	1%	0.014	10%	0.103	C	C	.	.	H	α-helix	trans	-65.7	-36.9	175.4	-62.6	0	0	0	0	112.8	V225 E226 L227 R233	V225-S229 WeakPolarHBondContact O-CB 3.42Å; V225-S229 PolarHBondContact O-N 3.17Å; V225-S229 PolarHBondContact O-OG 3.23Å; E226-S229 WeakPolarHBondContact O-CB 3.43Å; E226-S229 PolarHBondContact O-N 3.5Å; E226-S229 VanDerWaalsContact O-N 3.16Å; L227-S229 VanDerWaalsContact C-N 3.33Å; L227-S229 PolarHBondContact O-N 3.46Å; S229-R233 WeakPolarHBondContact O-CB 3.4Å; S229-R233 WeakPolarHBondContact O-CD 3.46Å; S229-R233 WeakPolarHBondContact O-CG 3.42Å; S229-R233 PolarHBondContact O-N 3.22Å
230	V	98.9	Very high	98.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-56.5	-58.4	173.9	171.4	0	0	0	0	110.3	L90 L91 E226 L227 Q232 R233 L234	L90-V230 HydrophobicContact CB-CG1 3.88Å; L90-V230 HydrophobicContact CB-CG2 4.07Å; L91-V230 HydrophobicContact CD2-CG2 3.79Å; L91-V230 HydrophobicContact CG-CG2 3.83Å; E226-V230 PolarHBondContact O-N 2.92Å; L227-V230 WeakPolarHBondContact O-CB 3.45Å; L227-V230 PolarHBondContact O-N 3.49Å; V230-Q232 PolarHBondContact O-N 3.26Å; V230-R233 PolarHBondContact O-N 3.41Å; V230-L234 HydrophobicContact CG1-CD1 4.07Å; V230-L234 WeakPolarHBondContact O-CG 3.5Å; V230-L234 PolarHBondContact O-N 2.9Å
231	W	98.9	Very high	98.7	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69.2	-34.5	-174.4	-65.9	110.5	0	0	0	112.5	L119 M123 A205 L208 V211 M215 L227 R233 L234 G235 S236	L119-W231 HydrophobicContact CD1-CH2 4.03Å; L119-W231 HydrophobicContact CD1-CZ3 4.01Å; L119-W231 HydrophobicContact CD2-CH2 4.2Å; L119-W231 HydrophobicContact CD2-CZ3 4.09Å; M123-W231 HydrophobicContact CE-CH2 3.61Å; M123-W231 HydrophobicContact CE-CZ2 3.79Å; A205-W231 WeakPolarHBondContact O-CZ2 3.4Å; A205-W231 PolarHBondContact O-NE1 3.42Å; L208-W231 HydrophobicContact CB-CH2 3.71Å; L208-W231 HydrophobicContact CB-CZ2 3.73Å; L208-W231 HydrophobicContact CB-CZ3 4.47Å; L208-W231 HydrophobicContact CD1-CD2 4.1Å; L208-W231 HydrophobicContact CD1-CH2 4.23Å; L208-W231 HydrophobicContact CD1-CZ2 3.76Å; L208-W231 HydrophobicContact CG-CH2 4.26Å; L208-W231 HydrophobicContact CG-CZ2 3.78Å; V211-W231 HydrophobicContact CG1-CE3 4.46Å; V211-W231 HydrophobicContact CG2-CE3 4.28Å; V211-W231 HydrophobicContact CG2-CZ3 4.05Å; M215-W231 HydrophobicContact SD-CB 3.79Å; M215-W231 HydrophobicContact SD-CG 3.91Å; L227-W231 VanDerWaalsContact O-CD1 3.23Å; L227-W231 PolarHBondContact O-N 2.85Å; W231-R233 VanDerWaalsContact C-N 3.33Å; W231-R233 PolarHBondContact O-N 2.89Å; W231-L234 HydrophobicContact CE3-CD1 3.91Å; W231-L234 HydrophobicContact CZ3-CD1 3.91Å; W231-L234 PolarHBondContact O-N 2.9Å; W231-L234 VanDerWaalsContact O-N 3.15Å; W231-G235 PolarHBondContact O-N 3.09Å; W231-G235 VanDerWaalsContact O-N 3.13Å; W231-S236 WeakPolarHBondContact O-CB 3.26Å; W231-S236 PolarHBondContact O-N 3.08Å; W231-S236 PolarHBondContact O-OG 3Å
232	Q	98.9	Very high	98.8	Very high	22 Å²	22	15.2 Å²	15.2	10%	0.103	10%	0.098	C	C	.	.	H	α-helix	trans	-60.7	-39.3	173.6	-165.9	-80.4	-38.5	0	0	112.9	G228 V230 L234 G235 S236 V238 Q267	G228-Q232 WeakPolarHBondContact O-CB 3.36Å; G228-Q232 PolarHBondContact O-N 2.85Å; V230-Q232 PolarHBondContact O-N 3.26Å; Q232-L234 VanDerWaalsContact C-N 3.34Å; Q232-G235 PolarHBondContact O-N 3.06Å; Q232-S236 WeakPolarHBondContact CA-O 3.26Å; Q232-V238 HydrophobicContact CB-CB 4.25Å; Q232-V238 HydrophobicContact CB-CG2 3.7Å; Q232-V238 HydrophobicContact CG-CG2 4.31Å; Q232-Q267 PolarHBondContact NE2-O 3.48Å
233	R	98.8	Very high	98.7	Very high	10 Å²	10	18.3 Å²	18.3	4%	0.038	11%	0.107	C	C	.	.	H	α-helix	trans	-69.4	-30.8	175.9	-73.1	164.1	-171.1	-178.6	-1.7	113.2	L91 Y97 K98 S229 V230 W231 H395	L91-R233 PolarHBondContact O-NH1 2.93Å; Y97-R233 WeakPolarHBondContact CD1-O 3.44Å; K98-R233 HydrophobicContact CB-CB 4.15Å; K98-R233 HydrophobicContact CB-CG 4.09Å; K98-R233 HydrophobicContact CG-CG 4.16Å; S229-R233 WeakPolarHBondContact O-CB 3.4Å; S229-R233 WeakPolarHBondContact O-CD 3.46Å; S229-R233 WeakPolarHBondContact O-CG 3.42Å; S229-R233 PolarHBondContact O-N 3.22Å; V230-R233 PolarHBondContact O-N 3.41Å; W231-R233 VanDerWaalsContact C-N 3.33Å; W231-R233 PolarHBondContact O-N 2.89Å; R233-H395 PolarHBondContact NH2-O 3.17Å
234	L	98.8	Very high	98.6	Very high	8 Å²	8	18.4 Å²	18.4	4%	0.042	11%	0.108	C	C	.	.	H	α-helix	trans	-82.5	-10.9	179.5	-63	178.4	0	0	0	113.6	Y97 L117 L119 M122 V211 V230 W231 Q232	Y97-L234 HydrophobicContact CD1-CD2 3.88Å; Y97-L234 HydrophobicContact CE1-CD2 4.45Å; Y97-L234 HydrophobicContact CG-CD2 4.28Å; L117-L234 HydrophobicContact CD1-CD2 3.87Å; L117-L234 HydrophobicContact CD2-CB 4Å; L117-L234 HydrophobicContact CD2-CD2 3.97Å; L117-L234 HydrophobicContact CD2-CG 4.39Å; L119-L234 HydrophobicContact CD1-CD1 4.21Å; M122-L234 HydrophobicContact CE-CD2 3.82Å; M122-L234 HydrophobicContact SD-CD1 4.17Å; M122-L234 HydrophobicContact SD-CD2 3.94Å; V211-L234 HydrophobicContact CG1-CB 4.41Å; V211-L234 HydrophobicContact CG2-CB 3.96Å; V230-L234 HydrophobicContact CG1-CD1 4.07Å; V230-L234 WeakPolarHBondContact O-CG 3.5Å; V230-L234 PolarHBondContact O-N 2.9Å; W231-L234 HydrophobicContact CE3-CD1 3.91Å; W231-L234 HydrophobicContact CZ3-CD1 3.91Å; W231-L234 PolarHBondContact O-N 2.9Å; W231-L234 VanDerWaalsContact O-N 3.15Å; Q232-L234 VanDerWaalsContact C-N 3.34Å
235	G	98.3	Very high	98.6	Very high	60 Å²	60	20.8 Å²	20.8	62%	0.619	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	132	-9	170.3	0	0	0	0	0	115.5	W231 Q232	W231-G235 PolarHBondContact O-N 3.09Å; W231-G235 VanDerWaalsContact O-N 3.13Å; Q232-G235 PolarHBondContact O-N 3.06Å
236	S	98.8	Very high	98.6	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.028	14%	0.14	C	C	.	.			trans	-67.4	142.1	180	-57.4	0	0	0	0	112.2	V211 P212 W231 Q232	V211-S236 WeakPolarHBondContact CG1-OG 3.42Å; P212-S236 VanDerWaalsContact CD-OG 3.32Å; P212-S236 WeakPolarHBondContact CD-OG 3.46Å; P212-S236 WeakPolarHBondContact CG-OG 3.4Å; P212-S236 WeakPolarHBondContact O-CA 3.33Å; P212-S236 VanDerWaalsContact O-CB 3.26Å; P212-S236 WeakPolarHBondContact O-CB 3.34Å; P212-S236 PolarHBondContact O-OG 3.45Å; W231-S236 WeakPolarHBondContact O-CB 3.26Å; W231-S236 PolarHBondContact O-N 3.08Å; W231-S236 PolarHBondContact O-OG 3Å; Q232-S236 WeakPolarHBondContact CA-O 3.26Å
237	T	98.8	Very high	98.5	Very high	49 Å²	49	22.2 Å²	22.2	30%	0.301	14%	0.139	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	128.3	155.2	-58.7	0	0	0	0	108.2	E213 E214 M215 K270	E213-T237 WeakPolarHBondContact O-CB 3.5Å; E213-T237 PolarHBondContact O-N 3.34Å; E214-T237 WeakPolarHBondContact CA-O 3.31Å; E214-T237 VanDerWaalsContact CD-CB 3.43Å; E214-T237 VanDerWaalsContact CD-CG2 3.47Å; E214-T237 WeakPolarHBondContact OE1-CB 3.28Å; E214-T237 WeakPolarHBondContact OE1-CG2 3.39Å; E214-T237 WeakPolarHBondContact OE2-CB 3.43Å; E214-T237 WeakPolarHBondContact OE2-CG2 3.4Å; M215-T237 PolarHBondContact N-O 3.35Å; T237-K270 HydrophobicContact CG2-CD 4.13Å; T237-K270 VanDerWaalsContact CG2-CE 3.46Å
238	V	98.9	Very high	98.4	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	131.3	-175.1	-171.5	0	0	0	0	110.7	M215 V217 Q232 L269 K270	M215-V238 HydrophobicContact CB-CG1 4.49Å; M215-V238 HydrophobicContact CB-CG2 4.25Å; M215-V238 WeakPolarHBondContact O-CA 3.14Å; V217-V238 HydrophobicContact CG2-CG1 3.82Å; Q232-V238 HydrophobicContact CB-CB 4.25Å; Q232-V238 HydrophobicContact CB-CG2 3.7Å; Q232-V238 HydrophobicContact CG-CG2 4.31Å; V238-L269 HydrophobicContact CB-CD1 3.57Å; V238-L269 HydrophobicContact CG1-CD1 3.47Å; V238-L269 VanDerWaalsContact CG1-CD1 3.47Å; V238-K270 WeakPolarHBondContact O-CB 3.35Å; V238-K270 PolarHBondContact O-N 3.01Å
239	T	98.9	Very high	98.2	Very high	16 Å²	16	23 Å²	23	10%	0.098	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	113.3	175.5	-53.7	0	0	0	0	111	M215 I216 V217 K270 K272	M215-T239 PolarHBondContact O-N 3.31Å; I216-T239 WeakPolarHBondContact CA-O 3.26Å; V217-T239 PolarHBondContact N-O 2.93Å; T239-K270 WeakPolarHBondContact CA-O 3.46Å; T239-K270 HydrophobicContact CG2-CB 4.09Å; T239-K270 WeakPolarHBondContact OG1-CD 3.09Å; T239-K272 HydrophobicContact CG2-CD 4.45Å
240	A	98.8	Very high	98	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.017	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85	128	170.7	0	0	0	0	0	110.9	V217 A220 K270 F271 K272	V217-A240 HydrophobicContact CB-CB 4.36Å; V217-A240 CarbonylContact O-C 3.39Å; V217-A240 WeakPolarHBondContact O-CA 3.26Å; A220-A240 HydrophobicContact CB-CB 4.31Å; A240-K270 PolarHBondContact N-O 3.33Å; A240-F271 HydrophobicContact CB-CD1 3.8Å; A240-F271 HydrophobicContact CB-CE1 3.97Å; A240-F271 CarbonylContact O-C 3.52Å; A240-F271 WeakPolarHBondContact O-CA 3.17Å; A240-K272 PolarHBondContact O-N 2.92Å
241	V	98.8	Very high	97.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.012	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.6	175.2	-175.7	0	0	0	0	108.1	I216 V217 G219 K272 T275 V277 V292 L303	I216-V241 HydrophobicContact CG2-CG2 4.09Å; V217-V241 PolarHBondContact O-N 3.34Å; G219-V241 PolarHBondContact N-O 3.26Å; V241-K272 WeakPolarHBondContact CA-O 3.43Å; V241-K272 HydrophobicContact CG2-CB 4.42Å; V241-T275 HydrophobicContact CG1-CG2 3.64Å; V241-V277 HydrophobicContact CB-CG2 4.38Å; V241-V277 HydrophobicContact CG1-CG2 3.86Å; V241-V292 HydrophobicContact CG1-CG1 4.27Å; V241-L303 HydrophobicContact CG2-CD1 3.95Å
242	E	98.4	Very high	97.8	Very high	25 Å²	25	32 Å²	32	12%	0.117	20%	0.2	C	C	.	.			trans	-135.5	136.3	-174	176.6	53.1	-101	0	0	110.3	G219 A220 L244 K272 L273 S274 T275	G219-E242 WeakPolarHBondContact CA-OE2 3.4Å; A220-E242 HydrophobicContact CB-CB 3.72Å; A220-E242 HydrophobicContact CB-CG 3.97Å; A220-E242 PolarHBondContact N-OE2 3.34Å; E242-L244 HydrophobicContact CG-CB 4.02Å; E242-L244 PolarHBondContact OE1-N 3.33Å; E242-K272 PolarHBondContact N-O 2.81Å; E242-L273 HydrophobicContact CB-CD2 3.86Å; E242-L273 HydrophobicContact CG-CD2 4.34Å; E242-L273 CarbonylContact O-C 3.5Å; E242-L273 VanDerWaalsContact O-C 3.28Å; E242-L273 WeakPolarHBondContact O-CA 3.46Å; E242-S274 PolarHBondContact O-N 2.98Å; E242-T275 CarbonylContact C-O 3.59Å; E242-T275 VanDerWaalsContact C-O 3.27Å; E242-T275 PolarHBondContact O-N 3.47Å; E242-T275 VanDerWaalsContact O-O 3.1Å
243	F	97.5	Very high	97.8	Very high	114 Å²	114	30.9 Å²	30.9	50%	0.5	20%	0.195	S	C	.	.	S	Bend	trans	-76.3	-32.9	178.7	179.8	-96.6	0	0	0	111.8	S274 T275 K276 A295	F243-S274 WeakPolarHBondContact O-CA 3.43Å; F243-T275 WeakPolarHBondContact CA-O 3.3Å; F243-T275 PolarHBondContact N-O 2.81Å; F243-K276 HydrophobicContact CD2-CB 3.93Å; F243-K276 HydrophobicContact CD2-CD 4.47Å; F243-K276 HydrophobicContact CD2-CG 3.91Å; F243-K276 HydrophobicContact CE2-CB 4.28Å; F243-K276 HydrophobicContact CE2-CD 4.22Å; F243-K276 HydrophobicContact CE2-CG 4.15Å; F243-A295 HydrophobicContact CD2-CB 3.73Å; F243-A295 HydrophobicContact CE2-CB 3.58Å; F243-A295 HydrophobicContact CZ-CB 4.25Å
244	L	96.9	Very high	97.7	Very high	63 Å²	63	33.6 Å²	33.6	33%	0.33	21%	0.209	S	C	.	.	S	Bend	trans	-73.8	163.5	174.1	-58.7	178.3	0	0	0	112.2	E242 H246 M250 S274	E242-L244 HydrophobicContact CG-CB 4.02Å; E242-L244 PolarHBondContact OE1-N 3.33Å; L244-H246 VanDerWaalsContact C-N 3.31Å; L244-H246 PolarHBondContact O-N 2.96Å; L244-M250 HydrophobicContact CD1-SD 4.23Å; L244-S274 PolarHBondContact O-N 3.45Å
245	G	97.6	Very high	97.8	Very high	51 Å²	51	36.1 Å²	36.1	53%	0.526	22%	0.221	S	C	.	.	S	Bend	trans	-84.5	5.9	-179.7	0	0	0	0	0	115.3	L273	G245-L273 WeakPolarHBondContact O-CD1 3.3Å
246	H	98.4	Very high	97.8	Very high	35 Å²	35	33.3 Å²	33.3	16%	0.162	19%	0.191	C	C	.	.	S	Bend	trans	-148.2	172.7	-170.7	73.2	-83.4	0	0	0	112.1	L244 G249 M254	L244-H246 VanDerWaalsContact C-N 3.31Å; L244-H246 PolarHBondContact O-N 2.96Å; H246-G249 PolarHBondContact NE2-O 2.76Å; H246-M254 HydrophobicContact CB-CE 4.46Å; H246-M254 HydrophobicContact CB-SD 4.03Å
247	V	98.1	Very high	97.8	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-116.8	162.1	-178	-55.3	0	0	0	0	112.4	A220 S257 F260 Q261 F271 L273	A220-V247 HydrophobicContact CB-CB 4.34Å; A220-V247 HydrophobicContact CB-CG1 4.04Å; V247-S257 WeakPolarHBondContact CG2-O 3.17Å; V247-S257 PolarHBondContact N-OG 3.36Å; V247-S257 VanDerWaalsContact N-OG 3.07Å; V247-S257 PolarHBondContact O-OG 2.81Å; V247-F260 HydrophobicContact CG2-CD1 3.86Å; V247-F260 HydrophobicContact CG2-CE1 4.45Å; V247-Q261 HydrophobicContact CG1-CB 4.25Å; V247-Q261 HydrophobicContact CG1-CG 4.06Å; V247-Q261 HydrophobicContact CG2-CB 3.76Å; V247-Q261 HydrophobicContact CG2-CG 4.47Å; V247-F271 HydrophobicContact CB-CE1 4.37Å; V247-F271 HydrophobicContact CG1-CD1 3.69Å; V247-F271 HydrophobicContact CG1-CE1 3.53Å; V247-F271 HydrophobicContact CG1-CZ 4.24Å; V247-L273 HydrophobicContact CG1-CD1 4.23Å; V247-L273 HydrophobicContact CG1-CD2 3.82Å
248	G	96.2	Very high	97.8	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.01	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	94.6	-17.7	177.3	0	0	0	0	0	114.5	A220 V222	A220-G248 PolarHBondContact O-N 2.86Å; V222-G248 VanDerWaalsContact CG2-O 3.26Å; V222-G248 WeakPolarHBondContact CG2-O 3.39Å; V222-G248 PolarHBondContact N-O 3.2Å
249	G	95.1	Very high	97.8	Very high	18 Å²	18	40.3 Å²	40.3	19%	0.186	22%	0.22	C	C	.	.			trans	100.7	-153.8	175.5	0	0	0	0	0	113.6	H246 I252	H246-G249 PolarHBondContact NE2-O 2.76Å; G249-I252 WeakPolarHBondContact O-CG2 3.49Å
250	M	93.2	Very high	97.8	Very high	156 Å²	156	39.5 Å²	39.5	77%	0.768	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	142.6	-177.4	-62.9	-57.5	-65.6	0	0	111.6	L244	L244-M250 HydrophobicContact CD1-SD 4.23Å
251	G	95.1	Very high	97.8	Very high	33 Å²	33	41.1 Å²	41.1	34%	0.34	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.2	-1.2	173.9	0	0	0	0	0	115.9	W400 T404	G251-W400 PolarHBondContact O-NE1 2.95Å; G251-T404 WeakPolarHBondContact O-CG2 3.37Å
252	I	98.6	Very high	97.8	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.01	25%	0.253	C	S	.	.			trans	-76.5	143	169.1	-168.9	172.4	0	0	0	110.7	G249 M254 I256 I392 V398 W400	G249-I252 WeakPolarHBondContact O-CG2 3.49Å; I252-M254 HydrophobicContact CG2-CE 4.01Å; I252-M254 WeakPolarHBondContact O-CE 3.47Å; I252-I256 HydrophobicContact CD1-CG2 4.34Å; I252-I256 HydrophobicContact CG1-CG2 4.27Å; I252-I392 HydrophobicContact CD1-CD1 4.34Å; I252-V398 HydrophobicContact CD1-CG1 4.17Å; I252-W400 HydrophobicContact CB-CH2 3.91Å; I252-W400 HydrophobicContact CB-CZ2 4Å; I252-W400 HydrophobicContact CB-CZ3 4.22Å; I252-W400 HydrophobicContact CD1-CH2 4.47Å; I252-W400 HydrophobicContact CD1-CZ3 4.14Å; I252-W400 HydrophobicContact CG1-CE3 4.26Å; I252-W400 HydrophobicContact CG1-CH2 4.26Å; I252-W400 HydrophobicContact CG1-CZ3 4.05Å
253	D	98.9	Very high	97.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.249	C	C	.	.			trans	-66	136.6	171.7	174.4	-79	0	0	0	111.7	E255 I256 S257 T404 K439	D253-E255 PolarHBondContact O-N 3.32Å; D253-E255 WeakPolarHBondContact OD1-CB 3.22Å; D253-E255 PolarHBondContact OD1-N 2.9Å; D253-I256 HydrophobicContact CB-CB 4.17Å; D253-I256 HydrophobicContact CB-CG1 4.17Å; D253-I256 PolarHBondContact O-N 2.76Å; D253-I256 PolarHBondContact OD1-N 3.05Å; D253-I256 VanDerWaalsContact OD1-N 3.17Å; D253-S257 WeakPolarHBondContact O-CB 3.36Å; D253-S257 PolarHBondContact O-N 3.34Å; D253-T404 HydrophobicContact CB-CG2 4.36Å; D253-K439 IonicContact OD1-NZ 2.7Å; D253-K439 PolarHBondContact OD1-NZ 2.87Å; D253-K439 VanDerWaalsContact OD2-CE 3.25Å; D253-K439 WeakPolarHBondContact OD2-CE 3.46Å; D253-K439 IonicContact OD2-NZ 2.68Å; D253-K439 PolarHBondContact OD2-NZ 3.3Å
254	M	98.8	Very high	97.9	Very high	66 Å²	66	42.9 Å²	42.9	33%	0.325	23%	0.225	S	C	.	.	H	α-helix	trans	-69.2	-28.2	-171.3	-67.2	-64	99.9	0	0	114.3	H246 I252 K258 E406	H246-M254 HydrophobicContact CB-CE 4.46Å; H246-M254 HydrophobicContact CB-SD 4.03Å; I252-M254 HydrophobicContact CG2-CE 4.01Å; I252-M254 WeakPolarHBondContact O-CE 3.47Å; M254-K258 VanDerWaalsContact O-CB 3.28Å; M254-K258 WeakPolarHBondContact O-CB 3.35Å; M254-K258 PolarHBondContact O-N 2.56Å; M254-E406 VanDerWaalsContact CG-CD 3.44Å; M254-E406 HydrophobicContact CG-CG 3.7Å; M254-E406 PolarHBondContact N-OE2 2.95Å
255	E	98.8	Very high	98	Very high	61 Å²	61	44.1 Å²	44.1	29%	0.285	23%	0.229	S	C	.	.	H	α-helix	trans	-74.3	-41.1	175.9	-175	-176.7	-163.8	0	0	110.8	D253 K258 N259 K419 M437 K439	D253-E255 PolarHBondContact O-N 3.32Å; D253-E255 WeakPolarHBondContact OD1-CB 3.22Å; D253-E255 PolarHBondContact OD1-N 2.9Å; E255-K258 PolarHBondContact O-N 2.81Å; E255-N259 WeakPolarHBondContact O-CB 3.29Å; E255-N259 PolarHBondContact O-N 2.73Å; E255-N259 PolarHBondContact O-ND2 3.37Å; E255-K419 IonicContact OE1-NZ 2.78Å; E255-K419 PolarHBondContact OE1-NZ 3.24Å; E255-K419 WeakPolarHBondContact OE2-CE 3.28Å; E255-K419 IonicContact OE2-NZ 2.78Å; E255-K419 PolarHBondContact OE2-NZ 3.08Å; E255-M437 HydrophobicContact CG-CE 3.99Å; E255-K439 WeakPolarHBondContact OE2-CE 3.5Å; E255-K439 IonicContact OE2-NZ 2.65Å; E255-K439 PolarHBondContact OE2-NZ 2.86Å
256	I	98.9	Very high	98	Very high	1 Å²	1	48 Å²	48	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-62.5	-47.7	173.8	-68.2	-76	0	0	0	110.2	I252 D253 K258 N259 F260 V398 M437 K439 H453 L455	I252-I256 HydrophobicContact CD1-CG2 4.34Å; I252-I256 HydrophobicContact CG1-CG2 4.27Å; D253-I256 HydrophobicContact CB-CB 4.17Å; D253-I256 HydrophobicContact CB-CG1 4.17Å; D253-I256 PolarHBondContact O-N 2.76Å; D253-I256 PolarHBondContact OD1-N 3.05Å; D253-I256 VanDerWaalsContact OD1-N 3.17Å; I256-K258 PolarHBondContact O-N 3.28Å; I256-N259 PolarHBondContact O-N 3.11Å; I256-F260 WeakPolarHBondContact O-CB 3.11Å; I256-F260 PolarHBondContact O-N 2.71Å; I256-V398 HydrophobicContact CG2-CG1 3.55Å; I256-M437 HydrophobicContact CD1-CE 3.66Å; I256-M437 HydrophobicContact CD1-CG 4.28Å; I256-M437 HydrophobicContact CG1-CE 4.29Å; I256-K439 HydrophobicContact CD1-CB 4.33Å; I256-K439 HydrophobicContact CG1-CD 4.26Å; I256-H453 HydrophobicContact CD1-CB 4.24Å; I256-H453 HydrophobicContact CG1-CB 3.86Å; I256-L455 HydrophobicContact CD1-CB 3.97Å; I256-L455 HydrophobicContact CG2-CB 4.27Å
257	S	98.9	Very high	98	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-55.6	-47	174.6	-178.6	0	0	0	0	112.6	V247 D253 F260 Q261	V247-S257 WeakPolarHBondContact CG2-O 3.17Å; V247-S257 PolarHBondContact N-OG 3.36Å; V247-S257 VanDerWaalsContact N-OG 3.07Å; V247-S257 PolarHBondContact O-OG 2.81Å; D253-S257 WeakPolarHBondContact O-CB 3.36Å; D253-S257 PolarHBondContact O-N 3.34Å; S257-F260 PolarHBondContact O-N 3.34Å; S257-Q261 WeakPolarHBondContact O-CB 3.2Å; S257-Q261 PolarHBondContact O-N 3.03Å
258	K	98.8	Very high	98	Very high	147 Å²	147	50.2 Å²	50.2	64%	0.639	25%	0.251	S	S	*	.	H	α-helix	trans	-63.5	-43	178.3	-179.3	-179.2	179.6	-179.1	0	112.9	M254 E255 I256 R262	M254-K258 VanDerWaalsContact O-CB 3.28Å; M254-K258 WeakPolarHBondContact O-CB 3.35Å; M254-K258 PolarHBondContact O-N 2.56Å; E255-K258 PolarHBondContact O-N 2.81Å; I256-K258 PolarHBondContact O-N 3.28Å; K258-R262 WeakPolarHBondContact O-CB 3.3Å; K258-R262 PolarHBondContact O-N 3.41Å; K258-R262 VanDerWaalsContact O-N 3.13Å
259	N	98.9	Very high	98.1	Very high	51 Å²	51	50.4 Å²	50.4	27%	0.273	25%	0.252	S	S	.	.	H	α-helix	trans	-69.9	-39.2	177.9	-73.5	-26.8	0	0	0	111.4	E255 I256 R262 I263 L455	E255-N259 WeakPolarHBondContact O-CB 3.29Å; E255-N259 PolarHBondContact O-N 2.73Å; E255-N259 PolarHBondContact O-ND2 3.37Å; I256-N259 PolarHBondContact O-N 3.11Å; N259-R262 WeakPolarHBondContact O-CB 3.34Å; N259-R262 PolarHBondContact O-N 3.19Å; N259-I263 WeakPolarHBondContact O-CD1 3.46Å; N259-I263 VanDerWaalsContact O-CG1 3.31Å; N259-I263 WeakPolarHBondContact O-CG1 3.39Å; N259-I263 PolarHBondContact O-N 3.15Å; N259-I263 VanDerWaalsContact O-N 3.07Å; N259-L455 HydrophobicContact CB-CD2 3.56Å
260	F	98.9	Very high	98.3	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-49.6	174.4	176.1	-137.8	0	0	0	112.1	V225 V247 I256 S257 R262 I263 L264 I392 T394 V398 L455	V225-F260 HydrophobicContact CG2-CE1 4.14Å; V225-F260 HydrophobicContact CG2-CZ 4.14Å; V247-F260 HydrophobicContact CG2-CD1 3.86Å; V247-F260 HydrophobicContact CG2-CE1 4.45Å; I256-F260 WeakPolarHBondContact O-CB 3.11Å; I256-F260 PolarHBondContact O-N 2.71Å; S257-F260 PolarHBondContact O-N 3.34Å; F260-R262 VanDerWaalsContact C-N 3.32Å; F260-R262 PolarHBondContact O-N 2.93Å; F260-I263 PolarHBondContact O-N 2.94Å; F260-I263 VanDerWaalsContact O-N 3.13Å; F260-L264 HydrophobicContact CD2-CD1 4.1Å; F260-L264 HydrophobicContact CD2-CG 4.1Å; F260-L264 HydrophobicContact CE1-CD1 4.11Å; F260-L264 HydrophobicContact CE2-CD1 3.52Å; F260-L264 HydrophobicContact CE2-CD2 4.08Å; F260-L264 HydrophobicContact CE2-CG 3.77Å; F260-L264 HydrophobicContact CZ-CD1 3.54Å; F260-L264 HydrophobicContact CZ-CG 4.31Å; F260-L264 PolarHBondContact O-N 3.15Å; F260-I392 HydrophobicContact CE1-CD1 3.9Å; F260-I392 HydrophobicContact CE1-CG2 4.33Å; F260-I392 HydrophobicContact CZ-CD1 4.48Å; F260-I392 HydrophobicContact CZ-CG2 3.92Å; F260-T394 HydrophobicContact CE2-CG2 4.21Å; F260-T394 WeakPolarHBondContact CE2-OG1 3.46Å; F260-T394 HydrophobicContact CZ-CG2 3.93Å; F260-T394 VanDerWaalsContact CZ-OG1 3.32Å; F260-T394 WeakPolarHBondContact CZ-OG1 3.36Å; F260-V398 HydrophobicContact CB-CG2 4.29Å; F260-V398 HydrophobicContact CD1-CG2 3.76Å; F260-V398 HydrophobicContact CD2-CG2 3.48Å; F260-V398 VanDerWaalsContact CD2-CG2 3.48Å; F260-V398 HydrophobicContact CE1-CG2 3.82Å; F260-V398 HydrophobicContact CE2-CG2 3.55Å; F260-V398 HydrophobicContact CG-CG2 3.58Å; F260-V398 HydrophobicContact CZ-CG2 3.71Å; F260-L455 HydrophobicContact CB-CD1 3.94Å; F260-L455 HydrophobicContact CB-CD2 4.24Å; F260-L455 HydrophobicContact CD2-CD1 3.96Å; F260-L455 HydrophobicContact CG-CD1 4.31Å
261	Q	98.9	Very high	98.6	Very high	36 Å²	36	48.1 Å²	48.1	17%	0.168	23%	0.232	C	C	.	.	H	α-helix	trans	-53.6	-48.7	173.3	-173.5	-168	-5.2	0	0	111.4	V247 S257 I263 L264 Q265 F271	V247-Q261 HydrophobicContact CG1-CB 4.25Å; V247-Q261 HydrophobicContact CG1-CG 4.06Å; V247-Q261 HydrophobicContact CG2-CB 3.76Å; V247-Q261 HydrophobicContact CG2-CG 4.47Å; S257-Q261 WeakPolarHBondContact O-CB 3.2Å; S257-Q261 PolarHBondContact O-N 3.03Å; Q261-I263 VanDerWaalsContact C-N 3.25Å; Q261-I263 PolarHBondContact O-N 2.91Å; Q261-L264 PolarHBondContact O-N 3.37Å; Q261-Q265 HydrophobicContact CG-CG 4.42Å; Q261-Q265 WeakPolarHBondContact O-CB 3.35Å; Q261-Q265 VanDerWaalsContact O-CG 3.31Å; Q261-Q265 WeakPolarHBondContact O-CG 3.12Å; Q261-Q265 PolarHBondContact O-N 3.41Å; Q261-F271 HydrophobicContact CG-CD2 4.03Å; Q261-F271 HydrophobicContact CG-CE2 4.17Å; Q261-F271 HydrophobicContact CG-CG 4.32Å
262	R	98.8	Very high	98.7	Very high	171 Å²	171	49.2 Å²	49.2	65%	0.645	23%	0.228	S	C	*	.	H	α-helix	trans	-58.6	-37.3	-179.8	-175.6	-177.2	178.7	93.6	-3.6	111.8	K258 N259 F260 K266	K258-R262 WeakPolarHBondContact O-CB 3.3Å; K258-R262 PolarHBondContact O-N 3.41Å; K258-R262 VanDerWaalsContact O-N 3.13Å; N259-R262 WeakPolarHBondContact O-CB 3.34Å; N259-R262 PolarHBondContact O-N 3.19Å; F260-R262 VanDerWaalsContact C-N 3.32Å; F260-R262 PolarHBondContact O-N 2.93Å; R262-K266 WeakPolarHBondContact O-CG 3.42Å; R262-K266 PolarHBondContact O-N 3.45Å
263	I	98.8	Very high	98.7	Very high	7 Å²	7	50.6 Å²	50.6	4%	0.036	24%	0.235	C	C	.	.	H	α-helix	trans	-72.9	-46.1	178.7	-64.5	160.5	0	0	0	111	N259 F260 Q261 Q265 K266 Q267 P396 D435 L455	N259-I263 WeakPolarHBondContact O-CD1 3.46Å; N259-I263 VanDerWaalsContact O-CG1 3.31Å; N259-I263 WeakPolarHBondContact O-CG1 3.39Å; N259-I263 PolarHBondContact O-N 3.15Å; N259-I263 VanDerWaalsContact O-N 3.07Å; F260-I263 PolarHBondContact O-N 2.94Å; F260-I263 VanDerWaalsContact O-N 3.13Å; Q261-I263 VanDerWaalsContact C-N 3.25Å; Q261-I263 PolarHBondContact O-N 2.91Å; I263-Q265 VanDerWaalsContact C-N 3.26Å; I263-Q265 PolarHBondContact O-N 3.33Å; I263-K266 WeakPolarHBondContact O-CB 3.29Å; I263-K266 PolarHBondContact O-N 2.72Å; I263-Q267 PolarHBondContact O-N 3.27Å; I263-P396 HydrophobicContact CD1-CG 4.13Å; I263-P396 HydrophobicContact CG2-CG 3.81Å; I263-D435 HydrophobicContact CD1-CB 4.01Å; I263-D435 HydrophobicContact CG1-CB 4.4Å; I263-D435 HydrophobicContact CG2-CB 4.35Å; I263-D435 WeakPolarHBondContact CG2-OD2 3.28Å; I263-L455 HydrophobicContact CD1-CD1 4.34Å; I263-L455 HydrophobicContact CD1-CD2 4.06Å; I263-L455 HydrophobicContact CD1-CG 4.32Å
264	L	98.8	Very high	98.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-61.8	-34.4	175.4	-65.9	-178.1	0	0	0	112.3	V225 F260 Q261 Q267 G268 L269 F271 T394	V225-L264 HydrophobicContact CB-CD1 4.26Å; V225-L264 HydrophobicContact CG1-CD1 4.44Å; F260-L264 HydrophobicContact CD2-CD1 4.1Å; F260-L264 HydrophobicContact CD2-CG 4.1Å; F260-L264 HydrophobicContact CE1-CD1 4.11Å; F260-L264 HydrophobicContact CE2-CD1 3.52Å; F260-L264 HydrophobicContact CE2-CD2 4.08Å; F260-L264 HydrophobicContact CE2-CG 3.77Å; F260-L264 HydrophobicContact CZ-CD1 3.54Å; F260-L264 HydrophobicContact CZ-CG 4.31Å; F260-L264 PolarHBondContact O-N 3.15Å; Q261-L264 PolarHBondContact O-N 3.37Å; L264-Q267 WeakPolarHBondContact O-CB 3.41Å; L264-Q267 PolarHBondContact O-N 2.7Å; L264-Q267 VanDerWaalsContact O-N 3.16Å; L264-G268 PolarHBondContact O-N 3.13Å; L264-L269 HydrophobicContact CB-CB 4.3Å; L264-L269 HydrophobicContact CB-CD2 4.19Å; L264-L269 HydrophobicContact CD1-CD2 4.02Å; L264-L269 PolarHBondContact O-N 3.4Å; L264-F271 HydrophobicContact CB-CE2 3.97Å; L264-F271 HydrophobicContact CB-CZ 4.18Å; L264-F271 HydrophobicContact CD1-CZ 4.04Å; L264-T394 HydrophobicContact CD2-CG2 4.47Å
265	Q	98.8	Very high	98.6	Very high	89 Å²	89	51.5 Å²	51.5	42%	0.416	25%	0.247	S	C	.	.	H	α-helix	trans	-63.3	-39.9	171.7	-76	175	-30.7	0	0	112.7	Q261 I263 Q267 G268 F271	Q261-Q265 HydrophobicContact CG-CG 4.42Å; Q261-Q265 WeakPolarHBondContact O-CB 3.35Å; Q261-Q265 VanDerWaalsContact O-CG 3.31Å; Q261-Q265 WeakPolarHBondContact O-CG 3.12Å; Q261-Q265 PolarHBondContact O-N 3.41Å; I263-Q265 VanDerWaalsContact C-N 3.26Å; I263-Q265 PolarHBondContact O-N 3.33Å; Q265-Q267 PolarHBondContact O-N 3.05Å; Q265-G268 PolarHBondContact O-N 2.93Å; Q265-F271 HydrophobicContact CG-CD2 3.71Å; Q265-F271 HydrophobicContact CG-CE2 4.09Å
266	K	98.4	Very high	98.5	Very high	131 Å²	131	52.2 Å²	52.2	57%	0.57	25%	0.249	S	C	*	.	H	α-helix	trans	-60.3	-35.4	171.6	-62.1	174.6	-163.7	169.3	0	112	R262 I263 G268 D435	R262-K266 WeakPolarHBondContact O-CG 3.42Å; R262-K266 PolarHBondContact O-N 3.45Å; I263-K266 WeakPolarHBondContact O-CB 3.29Å; I263-K266 PolarHBondContact O-N 2.72Å; K266-G268 VanDerWaalsContact C-N 3.28Å; K266-G268 PolarHBondContact O-N 3.46Å; K266-D435 IonicContact NZ-OD1 2.75Å; K266-D435 PolarHBondContact NZ-OD1 2.97Å; K266-D435 IonicContact NZ-OD2 3.76Å; K266-D435 PolarHBondContact NZ-OD2 3.3Å
267	Q	98.3	Very high	98.5	Very high	49 Å²	49	52.8 Å²	52.8	23%	0.229	25%	0.252	C	S	.	.	H	α-helix	trans	-73.1	-22.3	-178.7	-65.1	-179.8	18.6	0	0	112.7	Q232 I263 L264 Q265 H395	Q232-Q267 PolarHBondContact NE2-O 3.48Å; I263-Q267 PolarHBondContact O-N 3.27Å; L264-Q267 WeakPolarHBondContact O-CB 3.41Å; L264-Q267 PolarHBondContact O-N 2.7Å; L264-Q267 VanDerWaalsContact O-N 3.16Å; Q265-Q267 PolarHBondContact O-N 3.05Å; Q267-H395 PolarHBondContact NE2-O 2.95Å; Q267-H395 PolarHBondContact OE1-O 2.92Å
268	G	98.4	Very high	98.4	Very high	34 Å²	34	56.2 Å²	56.2	35%	0.351	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	120.9	0.9	176.1	0	0	0	0	0	115	L264 Q265 K266 K270	L264-G268 PolarHBondContact O-N 3.13Å; Q265-G268 PolarHBondContact O-N 2.93Å; K266-G268 VanDerWaalsContact C-N 3.28Å; K266-G268 PolarHBondContact O-N 3.46Å; G268-K270 PolarHBondContact O-N 3.45Å
269	L	98.6	Very high	98.4	Very high	5 Å²	5	50 Å²	50	3%	0.026	25%	0.248	C	C	.	.			trans	-76.3	117.7	178.3	-176.8	61.6	0	0	0	110.4	V238 L264 F271	V238-L269 HydrophobicContact CB-CD1 3.57Å; V238-L269 HydrophobicContact CG1-CD1 3.47Å; V238-L269 VanDerWaalsContact CG1-CD1 3.47Å; L264-L269 HydrophobicContact CB-CB 4.3Å; L264-L269 HydrophobicContact CB-CD2 4.19Å; L264-L269 HydrophobicContact CD1-CD2 4.02Å; L264-L269 PolarHBondContact O-N 3.4Å; L269-F271 HydrophobicContact CB-CE2 4.2Å; L269-F271 HydrophobicContact CD2-CE1 4.33Å; L269-F271 HydrophobicContact CD2-CE2 3.94Å; L269-F271 HydrophobicContact CD2-CZ 3.54Å; L269-F271 HydrophobicContact CG-CE2 3.81Å; L269-F271 HydrophobicContact CG-CZ 3.87Å; L269-F271 WeakPolarHBondContact O-CD2 3.44Å
270	K	98.8	Very high	98.3	Very high	98 Å²	98	48.3 Å²	48.3	43%	0.426	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	148.1	-179.7	-57.1	168.9	-177.4	173.3	0	110.1	E214 T237 V238 T239 A240 G268	E214-K270 IonicContact OE1-NZ 2.88Å; T237-K270 HydrophobicContact CG2-CD 4.13Å; T237-K270 VanDerWaalsContact CG2-CE 3.46Å; V238-K270 WeakPolarHBondContact O-CB 3.35Å; V238-K270 PolarHBondContact O-N 3.01Å; T239-K270 WeakPolarHBondContact CA-O 3.46Å; T239-K270 HydrophobicContact CG2-CB 4.09Å; T239-K270 WeakPolarHBondContact OG1-CD 3.09Å; A240-K270 PolarHBondContact N-O 3.33Å; G268-K270 PolarHBondContact O-N 3.45Å
271	F	98.8	Very high	98.3	Very high	27 Å²	27	53 Å²	53	12%	0.118	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.6	178.1	-68.4	-90.3	0	0	0	111.6	A220 V225 A240 V247 Q261 L264 Q265 L269 L273	A220-F271 HydrophobicContact CB-CD1 4.31Å; A220-F271 HydrophobicContact CB-CE1 4.18Å; V225-F271 HydrophobicContact CG1-CE1 4.13Å; V225-F271 HydrophobicContact CG1-CZ 4.39Å; A240-F271 HydrophobicContact CB-CD1 3.8Å; A240-F271 HydrophobicContact CB-CE1 3.97Å; A240-F271 CarbonylContact O-C 3.52Å; A240-F271 WeakPolarHBondContact O-CA 3.17Å; V247-F271 HydrophobicContact CB-CE1 4.37Å; V247-F271 HydrophobicContact CG1-CD1 3.69Å; V247-F271 HydrophobicContact CG1-CE1 3.53Å; V247-F271 HydrophobicContact CG1-CZ 4.24Å; Q261-F271 HydrophobicContact CG-CD2 4.03Å; Q261-F271 HydrophobicContact CG-CE2 4.17Å; Q261-F271 HydrophobicContact CG-CG 4.32Å; L264-F271 HydrophobicContact CB-CE2 3.97Å; L264-F271 HydrophobicContact CB-CZ 4.18Å; L264-F271 HydrophobicContact CD1-CZ 4.04Å; Q265-F271 HydrophobicContact CG-CD2 3.71Å; Q265-F271 HydrophobicContact CG-CE2 4.09Å; L269-F271 HydrophobicContact CB-CE2 4.2Å; L269-F271 HydrophobicContact CD2-CE1 4.33Å; L269-F271 HydrophobicContact CD2-CE2 3.94Å; L269-F271 HydrophobicContact CD2-CZ 3.54Å; L269-F271 HydrophobicContact CG-CE2 3.81Å; L269-F271 HydrophobicContact CG-CZ 3.87Å; L269-F271 WeakPolarHBondContact O-CD2 3.44Å; F271-L273 HydrophobicContact CB-CD2 4.11Å; F271-L273 HydrophobicContact CB-CG 4.38Å; F271-L273 HydrophobicContact CD1-CD2 4.03Å; F271-L273 HydrophobicContact CG-CD2 4.48Å
272	K	98.3	Very high	98.2	Very high	56 Å²	56	56.1 Å²	56.1	24%	0.243	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	88.6	163.8	-76.1	173.6	177.4	-84.8	0	107.7	T239 A240 V241 E242 T275 E301 L303	T239-K272 HydrophobicContact CG2-CD 4.45Å; A240-K272 PolarHBondContact O-N 2.92Å; V241-K272 WeakPolarHBondContact CA-O 3.43Å; V241-K272 HydrophobicContact CG2-CB 4.42Å; E242-K272 PolarHBondContact N-O 2.81Å; K272-T275 HydrophobicContact CB-CG2 4.27Å; K272-T275 WeakPolarHBondContact O-CB 3.18Å; K272-E301 IonicContact NZ-OE1 2.71Å; K272-E301 PolarHBondContact NZ-OE1 2.64Å; K272-E301 IonicContact NZ-OE2 2.64Å; K272-E301 PolarHBondContact NZ-OE2 3.4Å; K272-L303 HydrophobicContact CD-CD1 3.71Å; K272-L303 HydrophobicContact CD-CD2 4.37Å
273	L	98.3	Very high	98	Very high	31 Å²	31	52.4 Å²	52.4	16%	0.162	27%	0.269	C	S	.	.			trans	-81.2	168.5	174.6	-49.8	-170.5	0	0	0	110.2	E242 G245 V247 F271 T275	E242-L273 HydrophobicContact CB-CD2 3.86Å; E242-L273 HydrophobicContact CG-CD2 4.34Å; E242-L273 CarbonylContact O-C 3.5Å; E242-L273 VanDerWaalsContact O-C 3.28Å; E242-L273 WeakPolarHBondContact O-CA 3.46Å; G245-L273 WeakPolarHBondContact O-CD1 3.3Å; V247-L273 HydrophobicContact CG1-CD1 4.23Å; V247-L273 HydrophobicContact CG1-CD2 3.82Å; F271-L273 HydrophobicContact CB-CD2 4.11Å; F271-L273 HydrophobicContact CB-CG 4.38Å; F271-L273 HydrophobicContact CD1-CD2 4.03Å; F271-L273 HydrophobicContact CG-CD2 4.48Å; L273-T275 PolarHBondContact O-N 2.9Å; L273-T275 VanDerWaalsContact O-N 3.12Å; L273-T275 PolarHBondContact O-OG1 2.89Å
274	S	97.8	Very high	97.8	Very high	65 Å²	65	59.1 Å²	59.1	46%	0.455	31%	0.313	S	S	.	.	S	Bend	trans	48.7	38	-176.4	-57.1	0	0	0	0	112.5	E242 F243 L244 A295	E242-S274 PolarHBondContact O-N 2.98Å; F243-S274 WeakPolarHBondContact O-CA 3.43Å; L244-S274 PolarHBondContact O-N 3.45Å; S274-A295 VanDerWaalsContact C-CB 3.48Å; S274-A295 VanDerWaalsContact O-CB 3.28Å; S274-A295 WeakPolarHBondContact O-CB 3.37Å; S274-A295 PolarHBondContact O-N 2.81Å
275	T	98.3	Very high	97.6	Very high	20 Å²	20	63.7 Å²	63.7	12%	0.123	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	124.9	-170.5	-60.6	0	0	0	0	109.7	V241 E242 F243 K272 L273 V292 E293	V241-T275 HydrophobicContact CG1-CG2 3.64Å; E242-T275 CarbonylContact C-O 3.59Å; E242-T275 VanDerWaalsContact C-O 3.27Å; E242-T275 PolarHBondContact O-N 3.47Å; E242-T275 VanDerWaalsContact O-O 3.1Å; F243-T275 WeakPolarHBondContact CA-O 3.3Å; F243-T275 PolarHBondContact N-O 2.81Å; K272-T275 HydrophobicContact CB-CG2 4.27Å; K272-T275 WeakPolarHBondContact O-CB 3.18Å; L273-T275 PolarHBondContact O-N 2.9Å; L273-T275 VanDerWaalsContact O-N 3.12Å; L273-T275 PolarHBondContact O-OG1 2.89Å; T275-V292 HydrophobicContact CG2-CB 3.88Å; T275-V292 HydrophobicContact CG2-CG2 4.13Å; T275-E293 CarbonylContact C-O 3.28Å; T275-E293 WeakPolarHBondContact CA-O 3.28Å; T275-E293 WeakPolarHBondContact CG2-O 3.49Å
276	K	96.9	Very high	97.3	Very high	77 Å²	77	61.9 Å²	61.9	34%	0.335	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.2	-179.2	-162.2	-176.3	80.8	-160.8	0	110	F243 L278 V292 E293	F243-K276 HydrophobicContact CD2-CB 3.93Å; F243-K276 HydrophobicContact CD2-CD 4.47Å; F243-K276 HydrophobicContact CD2-CG 3.91Å; F243-K276 HydrophobicContact CE2-CB 4.28Å; F243-K276 HydrophobicContact CE2-CD 4.22Å; F243-K276 HydrophobicContact CE2-CG 4.15Å; K276-L278 VanDerWaalsContact CE-CD2 3.46Å; K276-V292 CarbonylContact O-C 3.59Å; K276-V292 VanDerWaalsContact O-CA 3.28Å; K276-V292 WeakPolarHBondContact O-CA 3.12Å; K276-E293 HydrophobicContact CB-CG 4.29Å; K276-E293 WeakPolarHBondContact CE-OE1 3.46Å; K276-E293 PolarHBondContact N-O 2.67Å; K276-E293 IonicContact NZ-OE1 2.58Å; K276-E293 PolarHBondContact NZ-OE1 3.39Å; K276-E293 PolarHBondContact O-N 3.13Å
277	V	98.1	Very high	97.3	Very high	12 Å²	12	58.5 Å²	58.5	7%	0.073	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	134.4	165.6	178.5	0	0	0	0	108.9	F189 I192 I218 V241 V290 V292	F189-V277 HydrophobicContact CE1-CG1 4.45Å; F189-V277 HydrophobicContact CE2-CB 4.08Å; F189-V277 HydrophobicContact CE2-CG1 4.4Å; F189-V277 HydrophobicContact CZ-CB 3.86Å; F189-V277 HydrophobicContact CZ-CG1 3.94Å; I192-V277 HydrophobicContact CD1-CG1 4.01Å; I218-V277 HydrophobicContact CD1-CG1 4.13Å; I218-V277 HydrophobicContact CD1-CG2 4.15Å; I218-V277 HydrophobicContact CG1-CG2 4.18Å; I218-V277 HydrophobicContact CG2-CG2 3.94Å; V241-V277 HydrophobicContact CB-CG2 4.38Å; V241-V277 HydrophobicContact CG1-CG2 3.86Å; V277-V290 HydrophobicContact CG1-CG1 3.85Å; V277-V290 HydrophobicContact CG2-CG1 4.34Å; V277-V292 HydrophobicContact CG2-CG1 4.13Å
278	L	97.1	Very high	97.3	Very high	74 Å²	74	56.2 Å²	56.2	39%	0.387	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	-29.4	176.8	-64.8	173.9	0	0	0	112.2	K276 A291 E293	K276-L278 VanDerWaalsContact CE-CD2 3.46Å; L278-A291 HydrophobicContact CB-CB 4.12Å; L278-A291 PolarHBondContact N-O 2.99Å; L278-E293 HydrophobicContact CD1-CB 4.35Å; L278-E293 HydrophobicContact CD1-CG 4.18Å; L278-E293 HydrophobicContact CD2-CG 4.06Å; L278-E293 HydrophobicContact CG-CG 4.18Å
279	G	97.5	Very high	97.3	Very high	16 Å²	16	56.3 Å²	56.3	17%	0.165	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.7	176.2	179	0	0	0	0	0	111.1	A291	G279-A291 PolarHBondContact O-N 3.21Å
280	A	98.1	Very high	97.3	Very high	16 Å²	16	56.1 Å²	56.1	13%	0.132	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	145.1	174	0	0	0	0	0	110.4	I192 I288 D289 V290 L308	I192-A280 HydrophobicContact CD1-CB 3.78Å; I192-A280 HydrophobicContact CG1-CB 4.03Å; I192-A280 HydrophobicContact CG2-CB 4.42Å; A280-I288 HydrophobicContact CB-CG2 4.04Å; A280-D289 CarbonylContact C-O 3.27Å; A280-D289 VanDerWaalsContact CA-O 3.32Å; A280-D289 WeakPolarHBondContact CA-O 3.34Å; A280-V290 HydrophobicContact CB-CG2 4.22Å; A280-L308 HydrophobicContact CB-CD2 3.44Å; A280-L308 VanDerWaalsContact CB-CD2 3.44Å
281	T	97.6	Very high	97.3	Very high	99 Å²	99	53 Å²	53	61%	0.607	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.7	127.1	-177.1	-61.1	0	0	0	0	109.9	D289	T281-D289 PolarHBondContact N-O 3.04Å; T281-D289 PolarHBondContact O-N 3.3Å
282	K	96.9	Very high	97.2	Very high	102 Å²	102	51.7 Å²	51.7	44%	0.443	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	136.3	169.8	-69.3	-170.3	177.1	-164.3	0	110.5	D195 S198 I199 I288	D195-K282 WeakPolarHBondContact OD2-CE 3.49Å; D195-K282 IonicContact OD2-NZ 3.1Å; D195-K282 PolarHBondContact OD2-NZ 3.02Å; S198-K282 WeakPolarHBondContact OG-CE 3.43Å; S198-K282 PolarHBondContact OG-NZ 2.86Å; S198-K282 VanDerWaalsContact OG-NZ 3.17Å; I199-K282 HydrophobicContact CD1-CG 4.18Å; K282-I288 HydrophobicContact CG-CG1 4.4Å
283	R	95.5	Very high	97.2	Very high	92 Å²	92	50.5 Å²	50.5	35%	0.347	29%	0.291	S	S	.	.			trans	-94	159.5	175.8	-61	157.6	60.4	101.8	-2.4	110.9	D285 G286 K287 D289	R283-D285 WeakPolarHBondContact CB-OD1 3.39Å; R283-D285 IonicContact CZ-OD1 3.17Å; R283-D285 IonicContact CZ-OD2 3.86Å; R283-D285 VanDerWaalsContact CZ-OD2 3.31Å; R283-D285 IonicContact NE-OD1 2.7Å; R283-D285 PolarHBondContact NE-OD1 3.07Å; R283-D285 IonicContact NE-OD2 2.69Å; R283-D285 PolarHBondContact NE-OD2 3.15Å; R283-D285 IonicContact NH2-OD2 2.85Å; R283-D285 PolarHBondContact NH2-OD2 3.4Å; R283-D285 PolarHBondContact O-N 3.25Å; R283-G286 PolarHBondContact O-N 2.73Å; R283-G286 VanDerWaalsContact O-N 3.08Å; R283-K287 VanDerWaalsContact CB-O 3.31Å; R283-K287 WeakPolarHBondContact CB-O 3.26Å; R283-K287 WeakPolarHBondContact CG-O 3.13Å; R283-K287 PolarHBondContact N-O 3.22Å; R283-D289 VanDerWaalsContact CD-OD2 3.29Å; R283-D289 WeakPolarHBondContact CD-OD2 3.21Å; R283-D289 WeakPolarHBondContact CG-OD2 3.18Å; R283-D289 IonicContact CZ-OD2 3.83Å; R283-D289 IonicContact NE-OD2 3.65Å; R283-D289 IonicContact NH1-OD1 3.58Å; R283-D289 PolarHBondContact NH1-OD1 3.5Å; R283-D289 IonicContact NH1-OD2 3.07Å; R283-D289 PolarHBondContact NH1-OD2 2.87Å
284	P	94.9	Very high	97.1	Very high	149 Å²	149	51.3 Å²	51.3	97%	0.968	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-20	174	-23.3	34.8	0	0	0	114.8	G286	P284-G286 VanDerWaalsContact C-N 3.3Å
285	D	93.9	Very high	96.9	Very high	95 Å²	95	49.7 Å²	49.7	51%	0.508	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	2.9	175.7	60.1	20.6	0	0	0	113.8	R283 K287	R283-D285 WeakPolarHBondContact CB-OD1 3.39Å; R283-D285 IonicContact CZ-OD1 3.17Å; R283-D285 IonicContact CZ-OD2 3.86Å; R283-D285 VanDerWaalsContact CZ-OD2 3.31Å; R283-D285 IonicContact NE-OD1 2.7Å; R283-D285 PolarHBondContact NE-OD1 3.07Å; R283-D285 IonicContact NE-OD2 2.69Å; R283-D285 PolarHBondContact NE-OD2 3.15Å; R283-D285 IonicContact NH2-OD2 2.85Å; R283-D285 PolarHBondContact NH2-OD2 3.4Å; R283-D285 PolarHBondContact O-N 3.25Å; D285-K287 VanDerWaalsContact C-N 3.32Å; D285-K287 PolarHBondContact O-N 3.07Å; D285-K287 PolarHBondContact OD1-N 3.11Å; D285-K287 VanDerWaalsContact OD1-N 3.13Å
286	G	93.3	Very high	96.7	Very high	51 Å²	51	53.8 Å²	53.8	53%	0.526	33%	0.328	S	S	.	.	S	Bend	trans	84.3	-7	178.1	0	0	0	0	0	115.3	R283 P284	R283-G286 PolarHBondContact O-N 2.73Å; R283-G286 VanDerWaalsContact O-N 3.08Å; P284-G286 VanDerWaalsContact C-N 3.3Å
287	K	97.6	Very high	96.3	Very high	61 Å²	61	52 Å²	52	27%	0.265	33%	0.332	S	S	.	.			trans	-79.2	165.5	170.2	-67.5	-169.2	-174.8	-97.7	0	110.8	E213 R283 D285 T304 C305 D306	E213-K287 IonicContact OE2-NZ 3.78Å; E213-K287 PolarHBondContact OE2-NZ 3.13Å; E213-K287 VanDerWaalsContact OE2-NZ 3.07Å; R283-K287 VanDerWaalsContact CB-O 3.31Å; R283-K287 WeakPolarHBondContact CB-O 3.26Å; R283-K287 WeakPolarHBondContact CG-O 3.13Å; R283-K287 PolarHBondContact N-O 3.22Å; D285-K287 VanDerWaalsContact C-N 3.32Å; D285-K287 PolarHBondContact O-N 3.07Å; D285-K287 PolarHBondContact OD1-N 3.11Å; D285-K287 VanDerWaalsContact OD1-N 3.13Å; K287-T304 HydrophobicContact CB-CG2 3.86Å; K287-T304 HydrophobicContact CD-CG2 4.08Å; K287-C305 CarbonylContact C-O 3.58Å; K287-C305 WeakPolarHBondContact CA-O 3.44Å; K287-C305 WeakPolarHBondContact CB-O 3.36Å; K287-D306 WeakPolarHBondContact CE-OD1 3.41Å; K287-D306 IonicContact NZ-OD1 2.7Å; K287-D306 PolarHBondContact NZ-OD1 2.8Å; K287-D306 IonicContact NZ-OD2 2.72Å
288	I	98.7	Very high	95.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	124.8	-177.9	-59.4	155.4	0	0	0	108.2	S198 I199 A280 K282 V290 T304 C305 L308	S198-I288 VanDerWaalsContact O-CD1 3.28Å; S198-I288 WeakPolarHBondContact O-CD1 3.4Å; I199-I288 HydrophobicContact CG1-CD1 3.72Å; I199-I288 HydrophobicContact CG1-CG1 4.29Å; A280-I288 HydrophobicContact CB-CG2 4.04Å; K282-I288 HydrophobicContact CG-CG1 4.4Å; I288-V290 HydrophobicContact CG2-CG2 4.13Å; I288-T304 CarbonylContact O-C 3.5Å; I288-T304 VanDerWaalsContact O-CA 3.32Å; I288-T304 WeakPolarHBondContact O-CA 3.13Å; I288-C305 PolarHBondContact N-O 3.43Å; I288-C305 PolarHBondContact O-N 2.8Å; I288-L308 HydrophobicContact CD1-CB 3.92Å; I288-L308 HydrophobicContact CG2-CB 4.42Å; I288-L308 HydrophobicContact CG2-CD2 4.12Å
289	D	98.5	Very high	95.3	Very high	37 Å²	37	59.6 Å²	59.6	20%	0.198	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.9	170.7	-77.6	-28.8	0	0	0	109.7	A280 T281 R283 T302 T304	A280-D289 CarbonylContact C-O 3.27Å; A280-D289 VanDerWaalsContact CA-O 3.32Å; A280-D289 WeakPolarHBondContact CA-O 3.34Å; T281-D289 PolarHBondContact N-O 3.04Å; T281-D289 PolarHBondContact O-N 3.3Å; R283-D289 VanDerWaalsContact CD-OD2 3.29Å; R283-D289 WeakPolarHBondContact CD-OD2 3.21Å; R283-D289 WeakPolarHBondContact CG-OD2 3.18Å; R283-D289 IonicContact CZ-OD2 3.83Å; R283-D289 IonicContact NE-OD2 3.65Å; R283-D289 IonicContact NH1-OD1 3.58Å; R283-D289 PolarHBondContact NH1-OD1 3.5Å; R283-D289 IonicContact NH1-OD2 3.07Å; R283-D289 PolarHBondContact NH1-OD2 2.87Å; D289-T302 HydrophobicContact CB-CG2 3.7Å; D289-T304 WeakPolarHBondContact OD1-CB 3.14Å; D289-T304 WeakPolarHBondContact OD1-CG2 3.4Å; D289-T304 PolarHBondContact OD1-OG1 2.69Å
290	V	98.6	Very high	95.1	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	115.5	-179.5	-172.7	0	0	0	0	108.8	I216 V277 A280 I288 V292 T302 L303 L308	I216-V290 HydrophobicContact CD1-CB 4.24Å; I216-V290 HydrophobicContact CD1-CG2 3.87Å; I216-V290 HydrophobicContact CG2-CG2 4.47Å; V277-V290 HydrophobicContact CG1-CG1 3.85Å; V277-V290 HydrophobicContact CG2-CG1 4.34Å; A280-V290 HydrophobicContact CB-CG2 4.22Å; I288-V290 HydrophobicContact CG2-CG2 4.13Å; V290-V292 HydrophobicContact CG1-CG1 4.1Å; V290-T302 WeakPolarHBondContact O-CA 3.35Å; V290-L303 PolarHBondContact N-O 3.17Å; V290-L303 PolarHBondContact O-N 3.42Å; V290-L308 HydrophobicContact CG2-CD1 3.87Å; V290-L308 HydrophobicContact CG2-CD2 4.01Å
291	A	98.1	Very high	95.1	Very high	32 Å²	32	67 Å²	67	26%	0.264	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	129.1	177.2	0	0	0	0	0	110.1	L278 G279	L278-A291 HydrophobicContact CB-CB 4.12Å; L278-A291 PolarHBondContact N-O 2.99Å; G279-A291 PolarHBondContact O-N 3.21Å
292	V	98.1	Very high	95.1	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	156.1	-179.5	-53.2	0	0	0	0	111.9	V241 T275 K276 V277 V290 N300 E301 L303	V241-V292 HydrophobicContact CG1-CG1 4.27Å; T275-V292 HydrophobicContact CG2-CB 3.88Å; T275-V292 HydrophobicContact CG2-CG2 4.13Å; K276-V292 CarbonylContact O-C 3.59Å; K276-V292 VanDerWaalsContact O-CA 3.28Å; K276-V292 WeakPolarHBondContact O-CA 3.12Å; V277-V292 HydrophobicContact CG2-CG1 4.13Å; V290-V292 HydrophobicContact CG1-CG1 4.1Å; V292-N300 WeakPolarHBondContact O-CA 3.43Å; V292-E301 HydrophobicContact CG2-CB 3.89Å; V292-E301 HydrophobicContact CG2-CG 4.4Å; V292-E301 PolarHBondContact N-O 3.46Å; V292-E301 PolarHBondContact O-N 2.67Å; V292-L303 HydrophobicContact CG1-CD1 4.03Å; V292-L303 HydrophobicContact CG1-CG 4.47Å; V292-L303 HydrophobicContact CG2-CD1 4.06Å; V292-L303 HydrophobicContact CG2-CG 4.11Å
293	E	97	Very high	95.1	Very high	31 Å²	31	62.9 Å²	62.9	15%	0.145	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	168.6	168	63.5	164.7	172.2	0	0	110.8	T275 K276 L278 G298	T275-E293 CarbonylContact C-O 3.28Å; T275-E293 WeakPolarHBondContact CA-O 3.28Å; T275-E293 WeakPolarHBondContact CG2-O 3.49Å; K276-E293 HydrophobicContact CB-CG 4.29Å; K276-E293 WeakPolarHBondContact CE-OE1 3.46Å; K276-E293 PolarHBondContact N-O 2.67Å; K276-E293 IonicContact NZ-OE1 2.58Å; K276-E293 PolarHBondContact NZ-OE1 3.39Å; K276-E293 PolarHBondContact O-N 3.13Å; L278-E293 HydrophobicContact CD1-CB 4.35Å; L278-E293 HydrophobicContact CD1-CG 4.18Å; L278-E293 HydrophobicContact CD2-CG 4.06Å; L278-E293 HydrophobicContact CG-CG 4.18Å; E293-G298 PolarHBondContact OE2-N 2.78Å
294	A	96.7	Very high	95.3	Very high	48 Å²	48	61.3 Å²	61.3	40%	0.397	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	142	168.1	0	0	0	0	0	110.5	A296 G297	A294-A296 PolarHBondContact O-N 2.86Å; A294-A296 VanDerWaalsContact O-N 3.13Å; A294-G297 WeakPolarHBondContact O-CA 3.25Å; A294-G297 PolarHBondContact O-N 3.32Å
295	A	93.8	Very high	95.5	Very high	31 Å²	31	54.2 Å²	54.2	26%	0.256	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-22.4	-176.6	0	0	0	0	0	114	F243 S274 G297	F243-A295 HydrophobicContact CD2-CB 3.73Å; F243-A295 HydrophobicContact CE2-CB 3.58Å; F243-A295 HydrophobicContact CZ-CB 4.25Å; S274-A295 VanDerWaalsContact C-CB 3.48Å; S274-A295 VanDerWaalsContact O-CB 3.28Å; S274-A295 WeakPolarHBondContact O-CB 3.37Å; S274-A295 PolarHBondContact O-N 2.81Å; A295-G297 VanDerWaalsContact C-N 3.27Å
296	A	93.7	Very high	95.7	Very high	106 Å²	106	51 Å²	51	88%	0.876	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	5.6	172.6	0	0	0	0	0	114	A294	A294-A296 PolarHBondContact O-N 2.86Å; A294-A296 VanDerWaalsContact O-N 3.13Å
297	G	88.3	Confident	96	Very high	41 Å²	41	49.1 Å²	49.1	42%	0.423	30%	0.304	S	S	.	.			trans	85.1	150.6	-166.4	0	0	0	0	0	112	A294 A295	A294-G297 WeakPolarHBondContact O-CA 3.25Å; A294-G297 PolarHBondContact O-N 3.32Å; A295-G297 VanDerWaalsContact C-N 3.27Å
298	G	88.2	Confident	96	Very high	51 Å²	51	46.2 Å²	46.2	53%	0.526	29%	0.292	S	S	.	.			trans	177.2	-151.7	176.6	0	0	0	0	0	114.9	E293	E293-G298 PolarHBondContact OE2-N 2.78Å
299	K	87	Confident	96	Very high	193 Å²	193	46.2 Å²	46.2	84%	0.839	29%	0.292	S	S	*	.			trans	-83.3	130.5	170.8	-176.6	-172.7	172.8	-174.1	0	109.3
300	N	93.4	Very high	96	Very high	99 Å²	99	44.4 Å²	44.4	53%	0.529	28%	0.282	S	S	.	.			trans	-63.4	141.9	173.1	-63.1	11.1	0	0	0	111.8	V292	V292-N300 WeakPolarHBondContact O-CA 3.43Å
301	E	96.7	Very high	95.9	Very high	88 Å²	88	45.3 Å²	45.3	41%	0.411	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.5	171.9	-178.6	-175	-169.3	0	0	108.2	K272 V292 L303	K272-E301 IonicContact NZ-OE1 2.71Å; K272-E301 PolarHBondContact NZ-OE1 2.64Å; K272-E301 IonicContact NZ-OE2 2.64Å; K272-E301 PolarHBondContact NZ-OE2 3.4Å; V292-E301 HydrophobicContact CG2-CB 3.89Å; V292-E301 HydrophobicContact CG2-CG 4.4Å; V292-E301 PolarHBondContact N-O 3.46Å; V292-E301 PolarHBondContact O-N 2.67Å; E301-L303 HydrophobicContact CG-CD2 3.97Å
302	T	97.9	Very high	95.8	Very high	91 Å²	91	47.2 Å²	47.2	56%	0.558	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	131.3	173.1	-56.3	0	0	0	0	108.9	D289 V290	D289-T302 HydrophobicContact CB-CG2 3.7Å; V290-T302 WeakPolarHBondContact O-CA 3.35Å
303	L	98.3	Very high	95.7	Very high	24 Å²	24	48.7 Å²	48.7	13%	0.126	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	130.3	176.2	-50	178.1	0	0	0	108.6	I216 V241 K272 V290 V292 E301	I216-L303 HydrophobicContact CD1-CB 3.46Å; I216-L303 VanDerWaalsContact CD1-CB 3.46Å; I216-L303 HydrophobicContact CD1-CD1 4.45Å; V241-L303 HydrophobicContact CG2-CD1 3.95Å; K272-L303 HydrophobicContact CD-CD1 3.71Å; K272-L303 HydrophobicContact CD-CD2 4.37Å; V290-L303 PolarHBondContact N-O 3.17Å; V290-L303 PolarHBondContact O-N 3.42Å; V292-L303 HydrophobicContact CG1-CD1 4.03Å; V292-L303 HydrophobicContact CG1-CG 4.47Å; V292-L303 HydrophobicContact CG2-CD1 4.06Å; V292-L303 HydrophobicContact CG2-CG 4.11Å; E301-L303 HydrophobicContact CG-CD2 3.97Å
304	T	98.6	Very high	95.8	Very high	60 Å²	60	49.9 Å²	49.9	37%	0.368	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	135.5	-178.1	-48.3	0	0	0	0	110.8	K287 I288 D289	K287-T304 HydrophobicContact CB-CG2 3.86Å; K287-T304 HydrophobicContact CD-CG2 4.08Å; I288-T304 CarbonylContact O-C 3.5Å; I288-T304 VanDerWaalsContact O-CA 3.32Å; I288-T304 WeakPolarHBondContact O-CA 3.13Å; D289-T304 WeakPolarHBondContact OD1-CB 3.14Å; D289-T304 WeakPolarHBondContact OD1-CG2 3.4Å; D289-T304 PolarHBondContact OD1-OG1 2.69Å
305	C	98.8	Very high	95.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	167.5	177.2	63	0	0	0	0	112.6	E214 I216 K287 I288 V307	E214-C305 HydrophobicContact CB-CB 4.33Å; E214-C305 WeakPolarHBondContact O-CB 3.24Å; I216-C305 HydrophobicContact CB-CB 4.22Å; I216-C305 HydrophobicContact CD1-CB 3.76Å; I216-C305 HydrophobicContact CG1-CB 3.77Å; K287-C305 CarbonylContact C-O 3.58Å; K287-C305 WeakPolarHBondContact CA-O 3.44Å; K287-C305 WeakPolarHBondContact CB-O 3.36Å; I288-C305 PolarHBondContact N-O 3.43Å; I288-C305 PolarHBondContact O-N 2.8Å; C305-V307 PolarHBondContact SG-O 2.67Å
306	D	98.4	Very high	96.1	Very high	26 Å²	26	52.2 Å²	52.2	14%	0.139	31%	0.306	C	S	.	.	S	Bend	trans	-87.7	-31.9	170	-43.4	-62.1	0	0	0	112	P212 E213 E214 K287	P212-D306 HydrophobicContact CB-CB 4.27Å; E213-D306 WeakPolarHBondContact CA-OD2 3.39Å; E213-D306 VanDerWaalsContact CB-OD2 3.26Å; E213-D306 WeakPolarHBondContact CB-OD2 3.32Å; E213-D306 PolarHBondContact N-OD2 3.41Å; E214-D306 PolarHBondContact N-OD2 3.24Å; E214-D306 PolarHBondContact O-N 2.89Å; K287-D306 WeakPolarHBondContact CE-OD1 3.41Å; K287-D306 IonicContact NZ-OD1 2.7Å; K287-D306 PolarHBondContact NZ-OD1 2.8Å; K287-D306 IonicContact NZ-OD2 2.72Å
307	V	98.9	Very high	96.3	Very high	12 Å²	12	48.5 Å²	48.5	7%	0.073	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.1	-179	174.9	0	0	0	0	110.3	S198 V200 L208 P212 E214 M215 I216 C305	S198-V307 CarbonylContact O-C 3.56Å; S198-V307 WeakPolarHBondContact O-CA 3.5Å; V200-V307 HydrophobicContact CG1-CG1 4.46Å; V200-V307 HydrophobicContact CG2-CG1 3.82Å; L208-V307 HydrophobicContact CD1-CG1 4.14Å; L208-V307 HydrophobicContact CD1-CG2 4.37Å; L208-V307 HydrophobicContact CD2-CG1 4.35Å; P212-V307 HydrophobicContact CB-CB 4.1Å; P212-V307 HydrophobicContact CB-CG2 3.82Å; P212-V307 HydrophobicContact CG-CB 4.27Å; P212-V307 HydrophobicContact CG-CG2 4.22Å; E214-V307 PolarHBondContact O-N 3.2Å; M215-V307 WeakPolarHBondContact CA-O 3.35Å; M215-V307 HydrophobicContact CE-CG1 4.38Å; M215-V307 HydrophobicContact CG-CB 4.38Å; M215-V307 HydrophobicContact CG-CG1 4.4Å; I216-V307 PolarHBondContact N-O 2.63Å; C305-V307 PolarHBondContact SG-O 2.67Å
308	L	98.9	Very high	96.8	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	111	175.7	-179.5	60.8	0	0	0	109.7	I192 S198 I199 V200 I216 I218 A280 I288 V290	I192-L308 HydrophobicContact CG2-CD2 4.35Å; S198-L308 PolarHBondContact O-N 3.36Å; I199-L308 CarbonylContact C-O 3.35Å; I199-L308 WeakPolarHBondContact CA-O 3.48Å; I199-L308 HydrophobicContact CG1-CB 4.4Å; I199-L308 HydrophobicContact CG1-CD2 4.48Å; I199-L308 HydrophobicContact CG2-CD2 4.27Å; V200-L308 PolarHBondContact N-O 3.05Å; I216-L308 HydrophobicContact CB-CD1 3.81Å; I216-L308 HydrophobicContact CG2-CD1 3.58Å; I216-L308 WeakPolarHBondContact O-CA 3.39Å; I218-L308 HydrophobicContact CD1-CD1 3.94Å; I218-L308 HydrophobicContact CD1-CD2 4.26Å; I218-L308 HydrophobicContact CD1-CG 4.31Å; I218-L308 HydrophobicContact CG1-CD1 3.77Å; A280-L308 HydrophobicContact CB-CD2 3.44Å; A280-L308 VanDerWaalsContact CB-CD2 3.44Å; I288-L308 HydrophobicContact CD1-CB 3.92Å; I288-L308 HydrophobicContact CG2-CB 4.42Å; I288-L308 HydrophobicContact CG2-CD2 4.12Å; V290-L308 HydrophobicContact CG2-CD1 3.87Å; V290-L308 HydrophobicContact CG2-CD2 4.01Å
309	L	98.9	Very high	97.3	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.1	172.4	167.3	57	0	0	0	110.3	V200 S201 A205 M215 I216 V217 I218 L227 C311	V200-L309 HydrophobicContact CG2-CB 4.2Å; V200-L309 HydrophobicContact CG2-CD1 4.37Å; V200-L309 WeakPolarHBondContact O-CA 3.45Å; S201-L309 VanDerWaalsContact C-CD1 3.42Å; S201-L309 WeakPolarHBondContact O-CD1 3.32Å; A205-L309 HydrophobicContact CB-CD1 3.88Å; A205-L309 HydrophobicContact CB-CD2 4.17Å; A205-L309 HydrophobicContact CB-CG 4.47Å; M215-L309 HydrophobicContact CE-CB 3.59Å; M215-L309 HydrophobicContact CE-CD2 3.91Å; M215-L309 HydrophobicContact CE-CG 4.39Å; I216-L309 PolarHBondContact O-N 3.23Å; V217-L309 HydrophobicContact CG1-CB 4.48Å; V217-L309 HydrophobicContact CG1-CD2 3.97Å; V217-L309 HydrophobicContact CG1-CG 4.17Å; V217-L309 HydrophobicContact CG2-CB 4.33Å; V217-L309 HydrophobicContact CG2-CD2 4.28Å; I218-L309 PolarHBondContact N-O 2.95Å; L227-L309 HydrophobicContact CB-CD2 3.82Å; L227-L309 HydrophobicContact CD1-CD2 4.06Å; L309-C311 HydrophobicContact CD1-CB 4.21Å; L309-C311 HydrophobicContact CG-CB 4.25Å
310	V	98.8	Very high	97.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	108.5	172.2	-174.2	0	0	0	0	109.5	F189 I192 I194 I199 V200 I218 I312	F189-V310 HydrophobicContact CB-CG1 3.81Å; I192-V310 HydrophobicContact CG2-CG2 4.12Å; I194-V310 HydrophobicContact CD1-CB 3.99Å; I194-V310 HydrophobicContact CD1-CG1 4.26Å; I194-V310 HydrophobicContact CD1-CG2 4.41Å; I194-V310 HydrophobicContact CG1-CB 4.27Å; I194-V310 HydrophobicContact CG1-CG2 4.14Å; I199-V310 HydrophobicContact CG2-CG2 4.04Å; V200-V310 PolarHBondContact O-N 2.84Å; I218-V310 HydrophobicContact CD1-CG2 4.39Å; V310-I312 HydrophobicContact CG1-CG1 4.48Å
311	C	96.2	Very high	98	Very high	19 Å²	19	42.6 Å²	42.6	13%	0.128	22%	0.223	C	C	.	.			trans	-137.2	36.1	-179.1	56	0	0	0	0	113.9	V217 I218 G219 I223 G224 L309 G313	V217-C311 WeakPolarHBondContact CG1-SG 3.43Å; I218-C311 CarbonylContact O-C 3.46Å; I218-C311 VanDerWaalsContact O-C 3.27Å; I218-C311 PolarHBondContact O-N 2.97Å; I218-C311 PolarHBondContact O-SG 3.11Å; G219-C311 PolarHBondContact O-SG 3.29Å; I223-C311 HydrophobicContact CG2-CB 4.24Å; G224-C311 WeakPolarHBondContact CA-SG 3.46Å; L309-C311 HydrophobicContact CD1-CB 4.21Å; L309-C311 HydrophobicContact CG-CB 4.25Å; C311-G313 PolarHBondContact O-N 3.2Å
312	I	96.2	Very high	98	Very high	72 Å²	72	38.8 Å²	38.8	37%	0.369	21%	0.207	S	C	.	.	S	Bend	trans	-61	-8.7	178.6	57.7	166.1	0	0	0	115.5	T187 F189 I218 V310	T187-I312 HydrophobicContact CG2-CD1 4Å; T187-I312 HydrophobicContact CG2-CG1 4.38Å; F189-I312 HydrophobicContact CB-CD1 4.06Å; F189-I312 HydrophobicContact CD2-CD1 4.05Å; F189-I312 HydrophobicContact CD2-CG2 3.94Å; F189-I312 HydrophobicContact CE2-CG2 4.47Å; F189-I312 HydrophobicContact CG-CD1 4.45Å; I218-I312 HydrophobicContact CB-CG2 4.33Å; I218-I312 HydrophobicContact CG2-CG2 3.55Å; I218-I312 PolarHBondContact O-N 3.1Å; V310-I312 HydrophobicContact CG1-CG1 4.48Å
313	G	95.9	Very high	98	Very high	31 Å²	31	34.9 Å²	34.9	32%	0.32	18%	0.183	S	C	.	.			trans	148.1	-170.1	175.3	0	0	0	0	0	113.4	T187 C311	T187-G313 PolarHBondContact N-O 3.38Å; C311-G313 PolarHBondContact O-N 3.2Å
314	R	98.4	Very high	97.8	Very high	56 Å²	56	40.8 Å²	40.8	21%	0.211	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	155.5	176.3	-59.7	-173.3	63.7	72.9	7.6	109.7	S184 E185 T187 M360	S184-R314 PolarHBondContact O-NH2 3.48Å; S184-R314 VanDerWaalsContact OG-CZ 3.31Å; S184-R314 PolarHBondContact OG-NE 3.02Å; S184-R314 PolarHBondContact OG-NH2 2.9Å; E185-R314 CarbonylContact O-C 3.26Å; E185-R314 VanDerWaalsContact O-CA 3.24Å; E185-R314 WeakPolarHBondContact O-CA 3.3Å; E185-R314 WeakPolarHBondContact O-CB 3.4Å; T187-R314 WeakPolarHBondContact OG1-CA 3.32Å; T187-R314 PolarHBondContact OG1-N 2.89Å; T187-R314 PolarHBondContact OG1-O 2.97Å; R314-M360 HydrophobicContact CB-CE 3.82Å; R314-M360 HydrophobicContact CB-SD 4.47Å
315	R	98.3	Very high	97.4	Very high	109 Å²	109	41.6 Å²	41.6	41%	0.411	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	151.8	177.6	67.2	-178.1	-172.1	-173.5	2.1	111.4	S184 E185	S184-R315 CarbonylContact C-O 3.6Å; S184-R315 WeakPolarHBondContact CA-O 3.19Å; S184-R315 WeakPolarHBondContact CB-O 3.23Å; E185-R315 HydrophobicContact CG-CG 3.79Å; E185-R315 PolarHBondContact N-O 2.88Å; E185-R315 PolarHBondContact O-N 3.31Å; E185-R315 IonicContact OE1-CZ 3.97Å; E185-R315 IonicContact OE1-NE 2.77Å; E185-R315 PolarHBondContact OE1-NE 2.7Å; E185-R315 IonicContact OE1-NH2 3.92Å; E185-R315 PolarHBondContact OE1-NH2 2.78Å
316	P	98.7	Very high	97.3	Very high	19 Å²	19	42.5 Å²	42.5	12%	0.123	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	143.1	174.8	-28.8	36.8	0	0	0	112.9	G334 R335 V355	P316-G334 WeakPolarHBondContact CB-O 3.31Å; P316-R335 HydrophobicContact CG-CB 4.27Å; P316-R335 HydrophobicContact CG-CG 3.5Å; P316-V355 HydrophobicContact CB-CG2 4.15Å
317	F	98.6	Very high	97.2	Very high	27 Å²	27	43 Å²	43	12%	0.118	24%	0.239	C	C	.	.			trans	-105.5	105.3	172.8	-175.1	-97.5	0	0	0	110.8	F152 T182 G183 E185 Q319	F152-F317 HydrophobicContact CE2-CE1 4.32Å; F152-F317 HydrophobicContact CE2-CZ 4.21Å; F152-F317 HydrophobicContact CZ-CE1 4.18Å; F152-F317 HydrophobicContact CZ-CZ 4.21Å; T182-F317 VanDerWaalsContact CB-O 3.25Å; T182-F317 WeakPolarHBondContact CB-O 3.28Å; T182-F317 PolarHBondContact OG1-O 3.16Å; G183-F317 PolarHBondContact O-N 2.97Å; E185-F317 HydrophobicContact CB-CD2 4.46Å; E185-F317 HydrophobicContact CG-CD2 4.28Å; E185-F317 WeakPolarHBondContact OE2-CD2 3.31Å; F317-Q319 HydrophobicContact CE2-CB 3.87Å; F317-Q319 HydrophobicContact CZ-CB 4.02Å
318	T	98.3	Very high	97.2	Very high	24 Å²	24	42.6 Å²	42.6	15%	0.147	24%	0.237	C	C	.	.			trans	-128.4	2.3	-179	51.7	0	0	0	0	113.1	N320 L321 L323 L330 I336 V355	T318-N320 PolarHBondContact O-N 2.7Å; T318-L321 VanDerWaalsContact O-CB 3.25Å; T318-L321 WeakPolarHBondContact O-CB 3.25Å; T318-L321 PolarHBondContact O-N 3.06Å; T318-L323 HydrophobicContact CG2-CD1 4.04Å; T318-L330 HydrophobicContact CG2-CD2 4.04Å; T318-L330 WeakPolarHBondContact OG1-CD1 3.18Å; T318-I336 HydrophobicContact CG2-CD1 4.09Å; T318-I336 HydrophobicContact CG2-CG1 4.04Å; T318-V355 HydrophobicContact CG2-CG2 3.46Å; T318-V355 VanDerWaalsContact CG2-CG2 3.46Å
319	Q	97.6	Very high	97.1	Very high	119 Å²	119	48.7 Å²	48.7	56%	0.556	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	134.4	-175.4	-167.6	-174.9	22	0	0	111.6	F152 F317 L321	F152-Q319 WeakPolarHBondContact CZ-O 3.48Å; F317-Q319 HydrophobicContact CE2-CB 3.87Å; F317-Q319 HydrophobicContact CZ-CB 4.02Å; Q319-L321 PolarHBondContact O-N 3.18Å
320	N	97.5	Very high	97.1	Very high	114 Å²	114	52 Å²	52	61%	0.61	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	6.7	177.6	-60.4	-24.5	0	0	0	116.4	F152 T318 G322	F152-N320 HydrophobicContact CE1-CB 4.01Å; F152-N320 HydrophobicContact CZ-CB 4.14Å; T318-N320 PolarHBondContact O-N 2.7Å; N320-G322 PolarHBondContact O-N 3.47Å; N320-G322 VanDerWaalsContact O-N 3.15Å
321	L	98.1	Very high	97.1	Very high	4 Å²	4	54.1 Å²	54.1	2%	0.021	29%	0.294	C	S	.	.	S	Bend	trans	-66.7	-14.6	-176	-177.8	58.9	0	0	0	113.9	V46 I155 I180 T182 T318 Q319 L323	V46-L321 HydrophobicContact CG1-CD1 3.99Å; I155-L321 HydrophobicContact CD1-CG 4.41Å; I155-L321 HydrophobicContact CG1-CD1 4.36Å; I155-L321 PolarHBondContact N-O 2.98Å; I180-L321 HydrophobicContact CD1-CD2 4.23Å; I180-L321 HydrophobicContact CG1-CD2 4.38Å; I180-L321 HydrophobicContact CG2-CD2 3.61Å; T182-L321 HydrophobicContact CG2-CD1 4.1Å; T182-L321 HydrophobicContact CG2-CD2 4.13Å; T318-L321 VanDerWaalsContact O-CB 3.25Å; T318-L321 WeakPolarHBondContact O-CB 3.25Å; T318-L321 PolarHBondContact O-N 3.06Å; Q319-L321 PolarHBondContact O-N 3.18Å; L321-L323 HydrophobicContact CB-CG 4.33Å; L321-L323 HydrophobicContact CD2-CD1 4.46Å; L321-L323 HydrophobicContact CD2-CD2 3.87Å; L321-L323 HydrophobicContact CD2-CG 4.17Å; L321-L323 HydrophobicContact CG-CD2 4.16Å; L321-L323 HydrophobicContact CG-CG 4.34Å
322	G	97.7	Very high	97.1	Very high	7 Å²	7	60.8 Å²	60.8	7%	0.072	33%	0.328	C	S	.	.			trans	86.1	21.3	178.9	0	0	0	0	0	114.6	N320 D324 S325 V326	N320-G322 PolarHBondContact O-N 3.47Å; N320-G322 VanDerWaalsContact O-N 3.15Å; G322-D324 PolarHBondContact O-N 3.12Å; G322-S325 WeakPolarHBondContact CA-OG 3.16Å; G322-S325 PolarHBondContact O-N 3.18Å; G322-S325 PolarHBondContact O-OG 2.04Å; G322-V326 PolarHBondContact O-N 2.92Å
323	L	97.6	Very high	97.1	Very high	9 Å²	9	65 Å²	65	5%	0.047	34%	0.34	C	S	.	.	H	α-helix	trans	-57.8	-44.8	178.9	-62.4	-176.6	0	0	0	112.4	I155 I180 T318 L321 S325 V326 G327 I328 L330 I336	I155-L323 HydrophobicContact CD1-CD2 4.4Å; I180-L323 HydrophobicContact CD1-CD2 3.86Å; T318-L323 HydrophobicContact CG2-CD1 4.04Å; L321-L323 HydrophobicContact CB-CG 4.33Å; L321-L323 HydrophobicContact CD2-CD1 4.46Å; L321-L323 HydrophobicContact CD2-CD2 3.87Å; L321-L323 HydrophobicContact CD2-CG 4.17Å; L321-L323 HydrophobicContact CG-CD2 4.16Å; L321-L323 HydrophobicContact CG-CG 4.34Å; L323-S325 VanDerWaalsContact C-N 3.29Å; L323-S325 PolarHBondContact O-N 2.51Å; L323-V326 CarbonylContact O-C 3.56Å; L323-V326 VanDerWaalsContact O-CG2 3.28Å; L323-V326 WeakPolarHBondContact O-CG2 3.11Å; L323-V326 PolarHBondContact O-N 3.23Å; L323-V326 VanDerWaalsContact O-N 3.09Å; L323-G327 PolarHBondContact O-N 3.29Å; L323-I328 HydrophobicContact CB-CB 4.09Å; L323-I328 HydrophobicContact CB-CG2 4.43Å; L323-I328 HydrophobicContact CD1-CG2 4.48Å; L323-I328 HydrophobicContact CD2-CB 4.18Å; L323-I328 HydrophobicContact CD2-CD1 4.16Å; L323-I328 HydrophobicContact CD2-CG2 4.14Å; L323-I328 PolarHBondContact O-N 3.43Å; L323-L330 HydrophobicContact CD1-CD2 3.67Å; L323-L330 HydrophobicContact CD1-CG 4.37Å; L323-I336 HydrophobicContact CD1-CD1 4.07Å; L323-I336 HydrophobicContact CD1-CG1 4.13Å; L323-I336 HydrophobicContact CD2-CD1 4.26Å
324	D	94.1	Very high	97.2	Very high	149 Å²	149	64.7 Å²	64.7	80%	0.797	34%	0.337	S	S	*	.	H	α-helix	trans	-60.4	-38.8	179.1	-45.8	-65.7	0	0	0	112	G322 V326 G327	G322-D324 PolarHBondContact O-N 3.12Å; D324-V326 PolarHBondContact O-N 3.35Å; D324-G327 PolarHBondContact O-N 2.9Å
325	S	90.3	Very high	97.2	Very high	77 Å²	77	64.4 Å²	64.4	54%	0.538	34%	0.336	S	S	.	.	H	α-helix	trans	-69.3	-15.5	178.4	29.5	0	0	0	0	114.4	G322 L323	G322-S325 WeakPolarHBondContact CA-OG 3.16Å; G322-S325 PolarHBondContact O-N 3.18Å; G322-S325 PolarHBondContact O-OG 2.04Å; L323-S325 VanDerWaalsContact C-N 3.29Å; L323-S325 PolarHBondContact O-N 2.51Å
326	V	95.9	Very high	97.2	Very high	18 Å²	18	59.3 Å²	59.3	11%	0.109	32%	0.316	C	S	.	.	H	α-helix	trans	-107.8	2.8	166.2	-67.2	0	0	0	0	113	I155 G322 L323 D324 I328 V346 I349	I155-V326 HydrophobicContact CG2-CG1 3.61Å; I155-V326 HydrophobicContact CG2-CG2 4.2Å; G322-V326 PolarHBondContact O-N 2.92Å; L323-V326 CarbonylContact O-C 3.56Å; L323-V326 VanDerWaalsContact O-CG2 3.28Å; L323-V326 WeakPolarHBondContact O-CG2 3.11Å; L323-V326 PolarHBondContact O-N 3.23Å; L323-V326 VanDerWaalsContact O-N 3.09Å; D324-V326 PolarHBondContact O-N 3.35Å; V326-I328 HydrophobicContact CG2-CB 4.49Å; V326-I328 HydrophobicContact CG2-CD1 3.7Å; V326-I328 HydrophobicContact CG2-CG1 3.94Å; V326-V346 VanDerWaalsContact O-CG2 3.27Å; V326-V346 WeakPolarHBondContact O-CG2 3.47Å; V326-I349 HydrophobicContact CB-CD1 4.15Å; V326-I349 HydrophobicContact CG1-CD1 4.18Å; V326-I349 HydrophobicContact CG2-CD1 3.95Å
327	G	96.4	Very high	97.2	Very high	36 Å²	36	61.8 Å²	61.8	37%	0.371	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	21.9	178.3	0	0	0	0	0	115.3	L323 D324 K345	L323-G327 PolarHBondContact O-N 3.29Å; D324-G327 PolarHBondContact O-N 2.9Å; G327-K345 WeakPolarHBondContact O-CE 3.46Å; G327-K345 PolarHBondContact O-NZ 2.9Å
328	I	98.3	Very high	97.2	Very high	5 Å²	5	62.8 Å²	62.8	3%	0.026	34%	0.341	C	S	.	.			trans	-83.8	115.1	176.4	-65.8	169	0	0	0	109.3	L323 V326 I336 T344 V346 I349	L323-I328 HydrophobicContact CB-CB 4.09Å; L323-I328 HydrophobicContact CB-CG2 4.43Å; L323-I328 HydrophobicContact CD1-CG2 4.48Å; L323-I328 HydrophobicContact CD2-CB 4.18Å; L323-I328 HydrophobicContact CD2-CD1 4.16Å; L323-I328 HydrophobicContact CD2-CG2 4.14Å; L323-I328 PolarHBondContact O-N 3.43Å; V326-I328 HydrophobicContact CG2-CB 4.49Å; V326-I328 HydrophobicContact CG2-CD1 3.7Å; V326-I328 HydrophobicContact CG2-CG1 3.94Å; I328-I336 HydrophobicContact CG2-CG2 4.08Å; I328-T344 HydrophobicContact CD1-CG2 4.14Å; I328-V346 HydrophobicContact CD1-CB 4.38Å; I328-V346 HydrophobicContact CD1-CG2 4.11Å; I328-V346 HydrophobicContact CG1-CB 4.35Å; I328-V346 HydrophobicContact CG1-CG2 3.6Å; I328-I349 HydrophobicContact CD1-CB 4.24Å; I328-I349 HydrophobicContact CD1-CD1 4.15Å; I328-I349 HydrophobicContact CD1-CG2 3.75Å
329	E	97.6	Very high	97.3	Very high	128 Å²	128	65.1 Å²	65.1	60%	0.598	35%	0.352	S	S	*	.			trans	-84.2	156.4	171.2	-74.7	132.5	-137.4	0	0	111.5	P337 K345	E329-P337 WeakPolarHBondContact O-CD 3.39Å; E329-K345 IonicContact OE1-NZ 2.66Å; E329-K345 PolarHBondContact OE1-NZ 2.98Å; E329-K345 IonicContact OE2-NZ 3.13Å; E329-K345 PolarHBondContact OE2-NZ 2.69Å
330	L	98.4	Very high	97.3	Very high	70 Å²	70	66.6 Å²	66.6	37%	0.366	36%	0.364	S	S	.	.			trans	-100.8	157.4	172.2	-59.3	177.6	0	0	0	111	T318 L323 R335 I336	T318-L330 HydrophobicContact CG2-CD2 4.04Å; T318-L330 WeakPolarHBondContact OG1-CD1 3.18Å; L323-L330 HydrophobicContact CD1-CD2 3.67Å; L323-L330 HydrophobicContact CD1-CG 4.37Å; L330-R335 WeakPolarHBondContact CA-O 3.49Å; L330-I336 HydrophobicContact CD2-CB 4.49Å; L330-I336 HydrophobicContact CD2-CG1 3.65Å
331	D	98.2	Very high	97.3	Very high	44 Å²	44	65.8 Å²	65.8	24%	0.235	35%	0.352	C	S	.	.			trans	-77.2	177.1	170	83.3	-6.1	0	0	0	112.9	R333 G334 R335	D331-R333 PolarHBondContact O-N 3.21Å; D331-R333 WeakPolarHBondContact OD1-CA 3.34Å; D331-R333 WeakPolarHBondContact OD1-CB 3.4Å; D331-R333 PolarHBondContact OD1-N 3.39Å; D331-G334 PolarHBondContact O-N 2.82Å; D331-G334 PolarHBondContact OD1-N 3.02Å; D331-G334 VanDerWaalsContact OD1-N 3.13Å; D331-R335 PolarHBondContact N-O 3Å; D331-R335 WeakPolarHBondContact OD1-CB 3.47Å; D331-R335 PolarHBondContact OD1-N 3.4Å; D331-R335 IonicContact OD1-NE 3.93Å; D331-R335 IonicContact OD2-CZ 3.52Å; D331-R335 IonicContact OD2-NE 2.76Å; D331-R335 PolarHBondContact OD2-NE 2.9Å; D331-R335 IonicContact OD2-NH2 3.37Å; D331-R335 PolarHBondContact OD2-NH2 3.47Å
332	N	97	Very high	97.3	Very high	158 Å²	158	66 Å²	66	85%	0.845	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	0.7	179.5	71.1	-16.5	0	0	0	115.2
333	R	96.3	Very high	97.4	Very high	161 Å²	161	67.7 Å²	67.7	61%	0.608	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	9	173.5	-67.4	179.2	58.6	-177.5	-4.5	112.4	D331 R335	D331-R333 PolarHBondContact O-N 3.21Å; D331-R333 WeakPolarHBondContact OD1-CA 3.34Å; D331-R333 WeakPolarHBondContact OD1-CB 3.4Å; D331-R333 PolarHBondContact OD1-N 3.39Å; R333-R335 VanDerWaalsContact C-N 3.3Å; R333-R335 HydrophobicContact CB-CG 4.36Å; R333-R335 PolarHBondContact O-N 2.88Å
334	G	97.9	Very high	97.4	Very high	25 Å²	25	67.8 Å²	67.8	26%	0.258	36%	0.36	S	S	.	.	S	Bend	trans	76.6	11.2	-179.2	0	0	0	0	0	114.5	P316 D331	P316-G334 WeakPolarHBondContact CB-O 3.31Å; D331-G334 PolarHBondContact O-N 2.82Å; D331-G334 PolarHBondContact OD1-N 3.02Å; D331-G334 VanDerWaalsContact OD1-N 3.13Å
335	R	98.8	Very high	97.6	Very high	50 Å²	50	67 Å²	67	19%	0.189	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-83.8	150.8	179.4	-59	174	-64.1	176.2	9	110.3	P316 L330 D331 R333 P337 V355 I356	P316-R335 HydrophobicContact CG-CB 4.27Å; P316-R335 HydrophobicContact CG-CG 3.5Å; L330-R335 WeakPolarHBondContact CA-O 3.49Å; D331-R335 PolarHBondContact N-O 3Å; D331-R335 WeakPolarHBondContact OD1-CB 3.47Å; D331-R335 PolarHBondContact OD1-N 3.4Å; D331-R335 IonicContact OD1-NE 3.93Å; D331-R335 IonicContact OD2-CZ 3.52Å; D331-R335 IonicContact OD2-NE 2.76Å; D331-R335 PolarHBondContact OD2-NE 2.9Å; D331-R335 IonicContact OD2-NH2 3.37Å; D331-R335 PolarHBondContact OD2-NH2 3.47Å; R333-R335 VanDerWaalsContact C-N 3.3Å; R333-R335 HydrophobicContact CB-CG 4.36Å; R333-R335 PolarHBondContact O-N 2.88Å; R335-P337 WeakPolarHBondContact O-CD 3.21Å; R335-V355 CarbonylContact C-O 3.59Å; R335-V355 VanDerWaalsContact CA-O 3.31Å; R335-V355 WeakPolarHBondContact CA-O 3.38Å; R335-I356 VanDerWaalsContact CD-O 3.26Å; R335-I356 WeakPolarHBondContact CD-O 3.49Å
336	I	98.8	Very high	98	Very high	2 Å²	2	64 Å²	64	1%	0.01	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-78.6	122.6	171.6	-61.1	175.2	0	0	0	108.7	I180 T318 L323 I328 L330 V338 T344 A351 V355 I356	I180-I336 HydrophobicContact CB-CD1 4.31Å; I180-I336 HydrophobicContact CD1-CD1 3.75Å; I180-I336 HydrophobicContact CG2-CD1 3.79Å; T318-I336 HydrophobicContact CG2-CD1 4.09Å; T318-I336 HydrophobicContact CG2-CG1 4.04Å; L323-I336 HydrophobicContact CD1-CD1 4.07Å; L323-I336 HydrophobicContact CD1-CG1 4.13Å; L323-I336 HydrophobicContact CD2-CD1 4.26Å; I328-I336 HydrophobicContact CG2-CG2 4.08Å; L330-I336 HydrophobicContact CD2-CB 4.49Å; L330-I336 HydrophobicContact CD2-CG1 3.65Å; I336-V338 HydrophobicContact CG2-CG1 4.34Å; I336-T344 HydrophobicContact CG2-CG2 3.58Å; I336-A351 HydrophobicContact CB-CB 4.05Å; I336-A351 HydrophobicContact CD1-CB 4.04Å; I336-A351 HydrophobicContact CG2-CB 3.83Å; I336-V355 HydrophobicContact CD1-CG1 4.2Å; I336-V355 HydrophobicContact CD1-CG2 4.02Å; I336-V355 HydrophobicContact CG1-CG2 4.3Å; I336-V355 PolarHBondContact N-O 2.85Å; I336-I356 HydrophobicContact CB-CG2 4.31Å; I336-I356 WeakPolarHBondContact O-CG2 3.39Å
337	P	98.8	Very high	98.1	Very high	71 Å²	71	70.9 Å²	70.9	46%	0.461	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-70.6	133.4	172.9	-16.9	32	0	0	0	111.1	E329 R335	E329-P337 WeakPolarHBondContact O-CD 3.39Å; R335-P337 WeakPolarHBondContact O-CD 3.21Å
338	V	98.8	Very high	98.1	Very high	48 Å²	48	69.2 Å²	69.2	29%	0.291	34%	0.342	S	S	.	.			trans	-135	157.7	178.3	-65.3	0	0	0	0	112.1	I336 F342 Q343 T344 A351 I356	I336-V338 HydrophobicContact CG2-CG1 4.34Å; V338-F342 WeakPolarHBondContact CG1-O 3Å; V338-F342 HydrophobicContact CG2-CD1 4.41Å; V338-Q343 CarbonylContact C-O 3.56Å; V338-Q343 WeakPolarHBondContact CA-O 3.42Å; V338-T344 HydrophobicContact CG1-CG2 4.22Å; V338-A351 HydrophobicContact CG1-CB 3.9Å; V338-I356 HydrophobicContact CG1-CG2 4.02Å; V338-I356 HydrophobicContact CG2-CB 4.31Å; V338-I356 HydrophobicContact CG2-CD1 3.94Å; V338-I356 HydrophobicContact CG2-CG2 4.21Å
339	N	98.6	Very high	98.2	Very high	73 Å²	73	69 Å²	69	39%	0.39	34%	0.341	S	S	.	.			trans	-87.2	-179.6	171.3	73.9	12.5	0	0	0	112.2	R341 F342 Q343	N339-R341 PolarHBondContact O-N 3.01Å; N339-R341 WeakPolarHBondContact OD1-CA 3.25Å; N339-R341 PolarHBondContact OD1-N 2.96Å; N339-F342 PolarHBondContact O-N 3.09Å; N339-F342 PolarHBondContact OD1-N 3.18Å; N339-Q343 PolarHBondContact N-O 2.88Å; N339-Q343 PolarHBondContact ND2-OE1 3.48Å; N339-Q343 WeakPolarHBondContact OD1-CB 3.48Å; N339-Q343 PolarHBondContact OD1-N 3.16Å; N339-Q343 VanDerWaalsContact OD1-N 3.1Å
340	N	97.7	Very high	98.2	Very high	150 Å²	150	63.5 Å²	63.5	80%	0.802	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-0.7	-179.7	-57.1	15.8	0	0	0	114.8	V381	N340-V381 WeakPolarHBondContact O-CG1 3.45Å
341	R	98.4	Very high	98.2	Very high	97 Å²	97	60.1 Å²	60.1	37%	0.366	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	20.9	170.1	-71.7	-171.8	167	-94.5	-6.2	112.1	N339 Q343 G375 G379 V381	N339-R341 PolarHBondContact O-N 3.01Å; N339-R341 WeakPolarHBondContact OD1-CA 3.25Å; N339-R341 PolarHBondContact OD1-N 2.96Å; R341-Q343 PolarHBondContact O-N 3.4Å; R341-G375 PolarHBondContact NH1-O 3.05Å; R341-G379 PolarHBondContact NH1-O 2.85Å; R341-G379 PolarHBondContact NH2-O 3.39Å; R341-V381 HydrophobicContact CB-CG2 4.49Å; R341-V381 HydrophobicContact CG-CB 4.26Å; R341-V381 HydrophobicContact CG-CG2 3.96Å
342	F	98.8	Very high	98.3	Very high	7 Å²	7	58.1 Å²	58.1	3%	0.031	29%	0.286	C	S	.	.	S	Bend	trans	60	12.9	-179.1	-57.9	-80.6	0	0	0	115.1	V338 N339 Y350 A351 I352 I356 E368 I371 C372 V381 I383	V338-F342 WeakPolarHBondContact CG1-O 3Å; V338-F342 HydrophobicContact CG2-CD1 4.41Å; N339-F342 PolarHBondContact O-N 3.09Å; N339-F342 PolarHBondContact OD1-N 3.18Å; F342-Y350 CarbonylContact O-C 3.4Å; F342-Y350 WeakPolarHBondContact O-CA 3.22Å; F342-Y350 WeakPolarHBondContact O-CB 3.22Å; F342-A351 PolarHBondContact O-N 2.9Å; F342-I352 HydrophobicContact CB-CG2 4.14Å; F342-I352 HydrophobicContact CD1-CG2 4.08Å; F342-I352 HydrophobicContact CG-CG2 4.12Å; F342-I356 HydrophobicContact CD1-CD1 3.71Å; F342-I356 HydrophobicContact CE1-CD1 3.84Å; F342-E368 HydrophobicContact CD1-CG 4.48Å; F342-E368 HydrophobicContact CE1-CB 4.05Å; F342-E368 HydrophobicContact CE1-CG 3.57Å; F342-E368 HydrophobicContact CZ-CB 4.16Å; F342-E368 HydrophobicContact CZ-CG 3.67Å; F342-I371 HydrophobicContact CD2-CG1 4.47Å; F342-I371 HydrophobicContact CE2-CD1 3.7Å; F342-I371 HydrophobicContact CE2-CG1 3.73Å; F342-I371 HydrophobicContact CZ-CD1 4.09Å; F342-I371 HydrophobicContact CZ-CG1 4.45Å; F342-C372 HydrophobicContact CB-CB 4.04Å; F342-C372 HydrophobicContact CD2-CB 3.93Å; F342-C372 HydrophobicContact CG-CB 4.17Å; F342-V381 HydrophobicContact CD2-CG1 3.91Å; F342-V381 HydrophobicContact CE2-CG1 3.58Å; F342-I383 HydrophobicContact CZ-CG2 4.15Å
343	Q	98.8	Very high	98.4	Very high	43 Å²	43	50.8 Å²	50.8	20%	0.201	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-79.3	137.4	175.9	-66.9	168.6	-18.3	0	0	110.4	V338 N339 R341 Y350	V338-Q343 CarbonylContact C-O 3.56Å; V338-Q343 WeakPolarHBondContact CA-O 3.42Å; N339-Q343 PolarHBondContact N-O 2.88Å; N339-Q343 PolarHBondContact ND2-OE1 3.48Å; N339-Q343 WeakPolarHBondContact OD1-CB 3.48Å; N339-Q343 PolarHBondContact OD1-N 3.16Å; N339-Q343 VanDerWaalsContact OD1-N 3.1Å; R341-Q343 PolarHBondContact O-N 3.4Å; Q343-Y350 HydrophobicContact CB-CD1 4.3Å; Q343-Y350 HydrophobicContact CB-CE1 4.4Å; Q343-Y350 HydrophobicContact CG-CD1 3.44Å; Q343-Y350 VanDerWaalsContact CG-CD1 3.44Å; Q343-Y350 HydrophobicContact CG-CE1 3.14Å; Q343-Y350 HydrophobicContact CG-CE2 4.41Å; Q343-Y350 HydrophobicContact CG-CG 4.2Å; Q343-Y350 PolarHBondContact NE2-OH 2.86Å; Q343-Y350 VanDerWaalsContact NE2-OH 3.13Å
344	T	98.8	Very high	98.5	Very high	12 Å²	12	44.5 Å²	44.5	7%	0.074	23%	0.226	C	C	.	.			trans	-73	-179.7	166.5	72.4	0	0	0	0	110.5	I328 I336 V338 V346 I349 A351	I328-T344 HydrophobicContact CD1-CG2 4.14Å; I336-T344 HydrophobicContact CG2-CG2 3.58Å; V338-T344 HydrophobicContact CG1-CG2 4.22Å; T344-V346 PolarHBondContact O-N 2.84Å; T344-V346 VanDerWaalsContact O-N 3.12Å; T344-V346 PolarHBondContact OG1-N 3.42Å; T344-V346 VanDerWaalsContact OG1-N 3.14Å; T344-V346 PolarHBondContact OG1-O 2.96Å; T344-I349 WeakPolarHBondContact CB-O 3.5Å; T344-I349 HydrophobicContact CG2-CG2 4.26Å; T344-I349 WeakPolarHBondContact CG2-O 3.31Å; T344-I349 PolarHBondContact N-O 3.45Å; T344-I349 PolarHBondContact OG1-O 3.13Å; T344-A351 HydrophobicContact CG2-CB 4.39Å
345	K	97.7	Very high	98.5	Very high	133 Å²	133	43.3 Å²	43.3	58%	0.578	21%	0.214	S	C	*	.	S	Bend	trans	-66.6	-5.6	171.2	72.8	177.7	-175.5	177.3	0	114.5	G327 E329	G327-K345 WeakPolarHBondContact O-CE 3.46Å; G327-K345 PolarHBondContact O-NZ 2.9Å; E329-K345 IonicContact OE1-NZ 2.66Å; E329-K345 PolarHBondContact OE1-NZ 2.98Å; E329-K345 IonicContact OE2-NZ 3.13Å; E329-K345 PolarHBondContact OE2-NZ 2.69Å
346	V	98.2	Very high	98.5	Very high	14 Å²	14	41.2 Å²	41.2	9%	0.085	21%	0.206	C	C	.	.	S	Bend	trans	-103.1	114.4	173.8	-176.1	0	0	0	0	109.2	K158 V326 I328 T344 G348 I349	K158-V346 HydrophobicContact CD-CG1 4.36Å; K158-V346 HydrophobicContact CG-CG1 4.11Å; V326-V346 VanDerWaalsContact O-CG2 3.27Å; V326-V346 WeakPolarHBondContact O-CG2 3.47Å; I328-V346 HydrophobicContact CD1-CB 4.38Å; I328-V346 HydrophobicContact CD1-CG2 4.11Å; I328-V346 HydrophobicContact CG1-CB 4.35Å; I328-V346 HydrophobicContact CG1-CG2 3.6Å; T344-V346 PolarHBondContact O-N 2.84Å; T344-V346 VanDerWaalsContact O-N 3.12Å; T344-V346 PolarHBondContact OG1-N 3.42Å; T344-V346 VanDerWaalsContact OG1-N 3.14Å; T344-V346 PolarHBondContact OG1-O 2.96Å; V346-G348 PolarHBondContact O-N 3.29Å; V346-I349 HydrophobicContact CB-CB 4.29Å; V346-I349 HydrophobicContact CB-CD1 4.12Å; V346-I349 HydrophobicContact CB-CG1 4.26Å; V346-I349 HydrophobicContact CG1-CD1 3.74Å; V346-I349 HydrophobicContact CG1-CG1 3.96Å; V346-I349 PolarHBondContact O-N 3.45Å
347	H	97.2	Very high	98.5	Very high	161 Å²	161	43.4 Å²	43.4	75%	0.745	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	134.4	175	-176.9	79.2	0	0	0	111.1	I349	H347-I349 VanDerWaalsContact C-N 3.35Å
348	G	97.8	Very high	98.5	Very high	2 Å²	2	42 Å²	42	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-11.5	-172.7	0	0	0	0	0	114.8	N177 I178 V346	N177-G348 CarbonylContact C-O 3.55Å; N177-G348 VanDerWaalsContact CA-O 3.28Å; N177-G348 WeakPolarHBondContact CA-O 3.3Å; I178-G348 PolarHBondContact N-O 3.33Å; V346-G348 PolarHBondContact O-N 3.29Å
349	I	98.8	Very high	98.4	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.7	178.3	-50.4	-175.2	0	0	0	110.7	I155 I178 I180 V326 I328 T344 V346 H347	I155-I349 HydrophobicContact CD1-CG2 4.39Å; I155-I349 HydrophobicContact CG2-CD1 4.31Å; I178-I349 HydrophobicContact CB-CG1 4.31Å; I178-I349 HydrophobicContact CB-CG2 4.36Å; I178-I349 HydrophobicContact CD1-CD1 4.34Å; I178-I349 HydrophobicContact CD1-CG1 4.34Å; I178-I349 HydrophobicContact CG2-CG2 4.49Å; I178-I349 WeakPolarHBondContact O-CA 3.45Å; I180-I349 HydrophobicContact CD1-CG2 3.79Å; I180-I349 HydrophobicContact CG1-CG2 4.34Å; V326-I349 HydrophobicContact CB-CD1 4.15Å; V326-I349 HydrophobicContact CG1-CD1 4.18Å; V326-I349 HydrophobicContact CG2-CD1 3.95Å; I328-I349 HydrophobicContact CD1-CB 4.24Å; I328-I349 HydrophobicContact CD1-CD1 4.15Å; I328-I349 HydrophobicContact CD1-CG2 3.75Å; T344-I349 WeakPolarHBondContact CB-O 3.5Å; T344-I349 HydrophobicContact CG2-CG2 4.26Å; T344-I349 WeakPolarHBondContact CG2-O 3.31Å; T344-I349 PolarHBondContact N-O 3.45Å; T344-I349 PolarHBondContact OG1-O 3.13Å; V346-I349 HydrophobicContact CB-CB 4.29Å; V346-I349 HydrophobicContact CB-CD1 4.12Å; V346-I349 HydrophobicContact CB-CG1 4.26Å; V346-I349 HydrophobicContact CG1-CD1 3.74Å; V346-I349 HydrophobicContact CG1-CG1 3.96Å; V346-I349 PolarHBondContact O-N 3.45Å; H347-I349 VanDerWaalsContact C-N 3.35Å
350	Y	98.9	Very high	98.4	Very high	12 Å²	12	41.5 Å²	41.5	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	159.9	-173.6	-58.3	-112.2	0	0	0	110.6	N177 I178 I180 F342 Q343 C372 M376	N177-Y350 HydrophobicContact CB-CE2 4.17Å; N177-Y350 WeakPolarHBondContact OD1-CE2 3.48Å; I178-Y350 PolarHBondContact O-N 3.35Å; I180-Y350 WeakPolarHBondContact CB-O 3.43Å; I180-Y350 WeakPolarHBondContact CG1-O 3.09Å; I180-Y350 PolarHBondContact N-O 3.14Å; F342-Y350 CarbonylContact O-C 3.4Å; F342-Y350 WeakPolarHBondContact O-CA 3.22Å; F342-Y350 WeakPolarHBondContact O-CB 3.22Å; Q343-Y350 HydrophobicContact CB-CD1 4.3Å; Q343-Y350 HydrophobicContact CB-CE1 4.4Å; Q343-Y350 HydrophobicContact CG-CD1 3.44Å; Q343-Y350 VanDerWaalsContact CG-CD1 3.44Å; Q343-Y350 HydrophobicContact CG-CE1 3.14Å; Q343-Y350 HydrophobicContact CG-CE2 4.41Å; Q343-Y350 HydrophobicContact CG-CG 4.2Å; Q343-Y350 PolarHBondContact NE2-OH 2.86Å; Q343-Y350 VanDerWaalsContact NE2-OH 3.13Å; Y350-C372 VanDerWaalsContact CD1-SG 3.56Å; Y350-M376 HydrophobicContact CD1-CE 3.76Å; Y350-M376 HydrophobicContact CD2-CE 3.45Å; Y350-M376 VanDerWaalsContact CD2-CE 3.45Å; Y350-M376 HydrophobicContact CD2-SD 4.36Å; Y350-M376 HydrophobicContact CE1-CE 3.95Å; Y350-M376 HydrophobicContact CE1-CG 3.89Å; Y350-M376 HydrophobicContact CE2-CE 3.69Å; Y350-M376 HydrophobicContact CE2-CG 4.24Å; Y350-M376 HydrophobicContact CE2-SD 4.02Å; Y350-M376 HydrophobicContact CG-CE 3.51Å
351	A	98.9	Very high	98.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	144	175.2	0	0	0	0	0	112.7	I180 I336 V338 F342 T344 V355 I356	I180-A351 HydrophobicContact CB-CB 3.99Å; I180-A351 WeakPolarHBondContact O-CA 3.02Å; I336-A351 HydrophobicContact CB-CB 4.05Å; I336-A351 HydrophobicContact CD1-CB 4.04Å; I336-A351 HydrophobicContact CG2-CB 3.83Å; V338-A351 HydrophobicContact CG1-CB 3.9Å; F342-A351 PolarHBondContact O-N 2.9Å; T344-A351 HydrophobicContact CG2-CB 4.39Å; A351-V355 HydrophobicContact CB-CG1 4Å; A351-I356 HydrophobicContact CB-CG2 3.53Å
352	I	98.9	Very high	98.5	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	19%	0.187	C	C	.	.			trans	-143.2	162.5	-173.2	57.3	168.4	0	0	0	113.5	G51 A55 L179 I180 A181 F342 V355 E368 C372	G51-I352 WeakPolarHBondContact O-CD1 3.46Å; A55-I352 HydrophobicContact CB-CD1 4.28Å; L179-I352 HydrophobicContact CD1-CD1 4.12Å; L179-I352 HydrophobicContact CD1-CG1 3.96Å; L179-I352 HydrophobicContact CD1-CG2 3.94Å; L179-I352 HydrophobicContact CD2-CD1 3.96Å; L179-I352 HydrophobicContact CG-CD1 4.16Å; L179-I352 HydrophobicContact CG-CG1 4.32Å; I180-I352 PolarHBondContact O-N 3.15Å; A181-I352 HydrophobicContact CB-CD1 4.14Å; A181-I352 HydrophobicContact CB-CG1 4Å; F342-I352 HydrophobicContact CB-CG2 4.14Å; F342-I352 HydrophobicContact CD1-CG2 4.08Å; F342-I352 HydrophobicContact CG-CG2 4.12Å; I352-V355 WeakPolarHBondContact O-CG1 3.43Å; I352-E368 HydrophobicContact CB-CB 4.14Å; I352-E368 HydrophobicContact CG2-CB 4.05Å; I352-C372 HydrophobicContact CG2-CB 4.01Å
353	G	98.8	Very high	98.5	Very high	4 Å²	4	35.9 Å²	35.9	4%	0.041	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	73.5	-136.6	171.7	0	0	0	0	0	113.9	V355 I356 K364 A365 E368	G353-V355 PolarHBondContact O-N 2.97Å; G353-I356 VanDerWaalsContact O-CG1 3.3Å; G353-I356 WeakPolarHBondContact O-CG1 3.22Å; G353-I356 PolarHBondContact O-N 3.34Å; G353-K364 PolarHBondContact O-NZ 3.46Å; G353-A365 VanDerWaalsContact CA-CB 3.49Å; G353-E368 VanDerWaalsContact CA-OE2 3.25Å; G353-E368 WeakPolarHBondContact CA-OE2 3.46Å; G353-E368 PolarHBondContact N-OE2 2.86Å
354	D	98.8	Very high	98.5	Very high	28 Å²	28	33.9 Å²	33.9	15%	0.15	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-65	-13.2	-176.4	-95.3	31	0	0	0	114.9	S184 M360	S184-D354 VanDerWaalsContact CB-OD2 3.22Å; S184-D354 WeakPolarHBondContact CB-OD2 3.43Å; S184-D354 PolarHBondContact OG-OD2 3.46Å; D354-M360 HydrophobicContact CB-CE 4.01Å; D354-M360 WeakPolarHBondContact OD1-CA 2.81Å; D354-M360 WeakPolarHBondContact OD1-CB 3.48Å; D354-M360 WeakPolarHBondContact OD2-CE 3.26Å
355	V	98.9	Very high	98.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-89.6	-10.2	-178.3	87.2	0	0	0	0	113.2	I180 P316 T318 R335 I336 A351 I352 G353	I180-V355 HydrophobicContact CG2-CG1 4.22Å; P316-V355 HydrophobicContact CB-CG2 4.15Å; T318-V355 HydrophobicContact CG2-CG2 3.46Å; T318-V355 VanDerWaalsContact CG2-CG2 3.46Å; R335-V355 CarbonylContact C-O 3.59Å; R335-V355 VanDerWaalsContact CA-O 3.31Å; R335-V355 WeakPolarHBondContact CA-O 3.38Å; I336-V355 HydrophobicContact CD1-CG1 4.2Å; I336-V355 HydrophobicContact CD1-CG2 4.02Å; I336-V355 HydrophobicContact CG1-CG2 4.3Å; I336-V355 PolarHBondContact N-O 2.85Å; A351-V355 HydrophobicContact CB-CG1 4Å; I352-V355 WeakPolarHBondContact O-CG1 3.43Å; G353-V355 PolarHBondContact O-N 2.97Å
356	I	98.8	Very high	98.5	Very high	6 Å²	6	29.5 Å²	29.5	3%	0.031	17%	0.172	C	C	.	.	S	Bend	trans	-117.3	-166.4	-179.1	64.8	160.9	0	0	0	111.5	R335 I336 V338 F342 A351 G353	R335-I356 VanDerWaalsContact CD-O 3.26Å; R335-I356 WeakPolarHBondContact CD-O 3.49Å; I336-I356 HydrophobicContact CB-CG2 4.31Å; I336-I356 WeakPolarHBondContact O-CG2 3.39Å; V338-I356 HydrophobicContact CG1-CG2 4.02Å; V338-I356 HydrophobicContact CG2-CB 4.31Å; V338-I356 HydrophobicContact CG2-CD1 3.94Å; V338-I356 HydrophobicContact CG2-CG2 4.21Å; F342-I356 HydrophobicContact CD1-CD1 3.71Å; F342-I356 HydrophobicContact CE1-CD1 3.84Å; A351-I356 HydrophobicContact CB-CG2 3.53Å; G353-I356 VanDerWaalsContact O-CG1 3.3Å; G353-I356 WeakPolarHBondContact O-CG1 3.22Å; G353-I356 PolarHBondContact O-N 3.34Å
357	A	98.6	Very high	98.6	Very high	49 Å²	49	32.3 Å²	32.3	41%	0.405	19%	0.186	S	C	.	.	S	Bend	trans	-74.4	173.5	175.4	0	0	0	0	0	113.2	K364	A357-K364 WeakPolarHBondContact O-CE 3.42Å; A357-K364 PolarHBondContact O-NZ 2.52Å
358	G	97.7	Very high	98.7	Very high	41 Å²	41	24.7 Å²	24.7	42%	0.423	15%	0.151	S	C	.	.	S	Bend	trans	92.8	-172.7	-178.3	0	0	0	0	0	114.3
359	P	97.8	Very high	98.7	Very high	43 Å²	43	24.6 Å²	24.6	28%	0.279	15%	0.15	S	C	.	.			trans	-64.7	139.7	175.7	-21.5	33.5	0	0	0	112.6	L361 K364 V388	P359-L361 VanDerWaalsContact C-N 3.33Å; P359-L361 HydrophobicContact CB-CB 4.48Å; P359-L361 HydrophobicContact CB-CD1 3.66Å; P359-L361 HydrophobicContact CB-CG 3.87Å; P359-L361 PolarHBondContact O-N 3.35Å; P359-L361 VanDerWaalsContact O-N 3.15Å; P359-K364 HydrophobicContact CB-CG 4.44Å; P359-K364 WeakPolarHBondContact O-CD 3.24Å; P359-K364 WeakPolarHBondContact O-CE 3.07Å; P359-V388 HydrophobicContact CG-CG1 4.45Å
360	M	98.5	Very high	98.7	Very high	67 Å²	67	26.9 Å²	26.9	33%	0.33	16%	0.161	S	C	.	.			trans	-88.3	73.3	175.1	-64.7	179.8	77.2	0	0	109.7	S184 R314 D354	S184-M360 VanDerWaalsContact CB-CE 3.45Å; R314-M360 HydrophobicContact CB-CE 3.82Å; R314-M360 HydrophobicContact CB-SD 4.47Å; D354-M360 HydrophobicContact CB-CE 4.01Å; D354-M360 WeakPolarHBondContact OD1-CA 2.81Å; D354-M360 WeakPolarHBondContact OD1-CB 3.48Å; D354-M360 WeakPolarHBondContact OD2-CE 3.26Å
361	L	98.7	Very high	98.7	Very high	47 Å²	47	27.4 Å²	27.4	25%	0.246	17%	0.165	C	C	.	.			trans	-130.4	151.4	-172	-62.4	174.7	0	0	0	110.9	P359 K364 A365 V388	P359-L361 VanDerWaalsContact C-N 3.33Å; P359-L361 HydrophobicContact CB-CB 4.48Å; P359-L361 HydrophobicContact CB-CD1 3.66Å; P359-L361 HydrophobicContact CB-CG 3.87Å; P359-L361 PolarHBondContact O-N 3.35Å; P359-L361 VanDerWaalsContact O-N 3.15Å; L361-K364 HydrophobicContact CB-CB 3.99Å; L361-A365 PolarHBondContact O-N 3.3Å; L361-V388 HydrophobicContact CD1-CG1 4.14Å
362	A	98.6	Very high	98.7	Very high	27 Å²	27	27.4 Å²	27.4	22%	0.223	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-54.1	-173.2	0	0	0	0	0	112.7	P50 C79 K364 A365 E366	P50-A362 HydrophobicContact CB-CB 4.21Å; P50-A362 HydrophobicContact CG-CB 3.97Å; C79-A362 HydrophobicContact CB-CB 4.49Å; C79-A362 VanDerWaalsContact SG-CB 3.55Å; A362-K364 PolarHBondContact O-N 3.37Å; A362-A365 WeakPolarHBondContact O-CB 3.34Å; A362-A365 PolarHBondContact O-N 2.89Å; A362-E366 WeakPolarHBondContact O-CG 3.25Å; A362-E366 PolarHBondContact O-N 3.34Å
363	H	98.7	Very high	98.7	Very high	62 Å²	62	27.3 Å²	27.3	29%	0.287	17%	0.165	S	C	.	.	H	α-helix	trans	-59.8	-43.8	177.9	51.3	-66.9	0	0	0	112	A365 E366 D367 P389	H363-A365 VanDerWaalsContact C-N 3.26Å; H363-A365 PolarHBondContact O-N 2.87Å; H363-E366 WeakPolarHBondContact O-CA 3.35Å; H363-E366 PolarHBondContact O-N 3.15Å; H363-D367 PolarHBondContact O-N 2.92Å; H363-P389 PolarHBondContact CE1-O 3.28Å; H363-P389 PolarHBondContact NE2-O 3.21Å
364	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	-49.8	-46.4	170.7	179.8	-80.4	-162.9	-169.8	0	111.8	G353 A357 P359 L361 A362 E368 Y385 V388	G353-K364 PolarHBondContact O-NZ 3.46Å; A357-K364 WeakPolarHBondContact O-CE 3.42Å; A357-K364 PolarHBondContact O-NZ 2.52Å; P359-K364 HydrophobicContact CB-CG 4.44Å; P359-K364 WeakPolarHBondContact O-CD 3.24Å; P359-K364 WeakPolarHBondContact O-CE 3.07Å; L361-K364 HydrophobicContact CB-CB 3.99Å; A362-K364 PolarHBondContact O-N 3.37Å; K364-E368 HydrophobicContact CD-CG 4.39Å; K364-E368 WeakPolarHBondContact CD-OE2 3.36Å; K364-E368 VanDerWaalsContact CE-CD 3.48Å; K364-E368 WeakPolarHBondContact CE-OE1 3.4Å; K364-E368 WeakPolarHBondContact CE-OE2 3.29Å; K364-E368 IonicContact NZ-OE1 2.66Å; K364-E368 PolarHBondContact NZ-OE1 3.26Å; K364-E368 IonicContact NZ-OE2 2.64Å; K364-E368 PolarHBondContact NZ-OE2 2.95Å; K364-E368 WeakPolarHBondContact O-CB 3.43Å; K364-E368 WeakPolarHBondContact O-CG 3.39Å; K364-E368 PolarHBondContact O-N 2.94Å; K364-E368 VanDerWaalsContact O-N 3.14Å; K364-Y385 HydrophobicContact CG-CE1 4.49Å; K364-V388 HydrophobicContact CB-CG1 4.13Å
365	A	98.9	Very high	98.7	Very high	7 Å²	7	29.4 Å²	29.4	6%	0.058	18%	0.175	C	C	.	.	H	α-helix	trans	-70.1	-35.9	178.2	0	0	0	0	0	112.7	G51 G353 L361 A362 H363 G369	G51-A365 WeakPolarHBondContact CA-O 3.38Å; G353-A365 VanDerWaalsContact CA-CB 3.49Å; L361-A365 PolarHBondContact O-N 3.3Å; A362-A365 WeakPolarHBondContact O-CB 3.34Å; A362-A365 PolarHBondContact O-N 2.89Å; H363-A365 VanDerWaalsContact C-N 3.26Å; H363-A365 PolarHBondContact O-N 2.87Å; A365-G369 PolarHBondContact O-N 3.14Å
366	E	98.9	Very high	98.7	Very high	47 Å²	47	30.8 Å²	30.8	22%	0.22	18%	0.182	C	C	.	.	H	α-helix	trans	-64.9	-48.3	177	-69.6	174.3	145.6	0	0	111.4	P50 Y53 V54 A362 H363 G369 I370	P50-E366 VanDerWaalsContact C-CG 3.42Å; P50-E366 HydrophobicContact CB-CG 3.5Å; Y53-E366 PolarHBondContact OH-OE1 3.06Å; V54-E366 HydrophobicContact CB-CB 4.38Å; V54-E366 HydrophobicContact CB-CG 4.22Å; V54-E366 HydrophobicContact CG1-CB 4.44Å; V54-E366 HydrophobicContact CG2-CB 4.18Å; V54-E366 HydrophobicContact CG2-CG 3.67Å; A362-E366 WeakPolarHBondContact O-CG 3.25Å; A362-E366 PolarHBondContact O-N 3.34Å; H363-E366 WeakPolarHBondContact O-CA 3.35Å; H363-E366 PolarHBondContact O-N 3.15Å; E366-G369 WeakPolarHBondContact O-CA 3.47Å; E366-G369 PolarHBondContact O-N 2.83Å; E366-G369 VanDerWaalsContact O-N 3.14Å; E366-I370 WeakPolarHBondContact O-CG1 3.17Å; E366-I370 PolarHBondContact O-N 2.85Å
367	D	98.9	Very high	98.7	Very high	73 Å²	73	33.2 Å²	33.2	39%	0.39	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-48.7	176.9	-67.3	-30.8	0	0	0	111.8	H363 G369 I370 I371 I383	H363-D367 PolarHBondContact O-N 2.92Å; D367-G369 PolarHBondContact O-N 3.48Å; D367-I370 WeakPolarHBondContact O-CB 3.43Å; D367-I370 PolarHBondContact O-N 3.14Å; D367-I371 WeakPolarHBondContact O-CG1 3.47Å; D367-I371 PolarHBondContact O-N 3.05Å; D367-I383 HydrophobicContact CB-CD1 4.13Å
368	E	98.9	Very high	98.7	Very high	0 Å²	0	34 Å²	34	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.7	-38.5	173.4	-74.4	-179.5	160.2	0	0	112	F342 I352 G353 K364 C372 I383 Y385	F342-E368 HydrophobicContact CD1-CG 4.48Å; F342-E368 HydrophobicContact CE1-CB 4.05Å; F342-E368 HydrophobicContact CE1-CG 3.57Å; F342-E368 HydrophobicContact CZ-CB 4.16Å; F342-E368 HydrophobicContact CZ-CG 3.67Å; I352-E368 HydrophobicContact CB-CB 4.14Å; I352-E368 HydrophobicContact CG2-CB 4.05Å; G353-E368 VanDerWaalsContact CA-OE2 3.25Å; G353-E368 WeakPolarHBondContact CA-OE2 3.46Å; G353-E368 PolarHBondContact N-OE2 2.86Å; K364-E368 HydrophobicContact CD-CG 4.39Å; K364-E368 WeakPolarHBondContact CD-OE2 3.36Å; K364-E368 VanDerWaalsContact CE-CD 3.48Å; K364-E368 WeakPolarHBondContact CE-OE1 3.4Å; K364-E368 WeakPolarHBondContact CE-OE2 3.29Å; K364-E368 IonicContact NZ-OE1 2.66Å; K364-E368 PolarHBondContact NZ-OE1 3.26Å; K364-E368 IonicContact NZ-OE2 2.64Å; K364-E368 PolarHBondContact NZ-OE2 2.95Å; K364-E368 WeakPolarHBondContact O-CB 3.43Å; K364-E368 WeakPolarHBondContact O-CG 3.39Å; K364-E368 PolarHBondContact O-N 2.94Å; K364-E368 VanDerWaalsContact O-N 3.14Å; E368-C372 WeakPolarHBondContact O-CB 3.13Å; E368-C372 PolarHBondContact O-N 3.24Å; E368-I383 HydrophobicContact CG-CD1 4.24Å; E368-Y385 WeakPolarHBondContact OE1-CE1 3.43Å; E368-Y385 PolarHBondContact OE1-OH 3.44Å
369	G	98.9	Very high	98.7	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-65.5	-39.5	175.2	0	0	0	0	0	113.5	A365 E366 D367 I373	A365-G369 PolarHBondContact O-N 3.14Å; E366-G369 WeakPolarHBondContact O-CA 3.47Å; E366-G369 PolarHBondContact O-N 2.83Å; E366-G369 VanDerWaalsContact O-N 3.14Å; D367-G369 PolarHBondContact O-N 3.48Å; G369-I373 WeakPolarHBondContact O-CB 3.39Å; G369-I373 VanDerWaalsContact O-CG1 3.25Å; G369-I373 WeakPolarHBondContact O-CG1 3.39Å; G369-I373 PolarHBondContact O-N 2.95Å
370	I	98.9	Very high	98.7	Very high	48 Å²	48	35.4 Å²	35.4	25%	0.246	23%	0.23	C	C	.	.	H	α-helix	trans	-65.5	-56.4	176	-66.9	166.4	0	0	0	110.2	V54 K58 E366 D367 C372 I373 E374	V54-I370 HydrophobicContact CG1-CD1 3.89Å; V54-I370 HydrophobicContact CG1-CG1 3.59Å; K58-I370 HydrophobicContact CD-CG2 4.11Å; K58-I370 HydrophobicContact CG-CG2 4.36Å; E366-I370 WeakPolarHBondContact O-CG1 3.17Å; E366-I370 PolarHBondContact O-N 2.85Å; D367-I370 WeakPolarHBondContact O-CB 3.43Å; D367-I370 PolarHBondContact O-N 3.14Å; I370-C372 PolarHBondContact O-N 3.13Å; I370-I373 PolarHBondContact O-N 3Å; I370-E374 PolarHBondContact O-N 3.29Å
371	I	98.9	Very high	98.7	Very high	24 Å²	24	33.6 Å²	33.6	12%	0.123	22%	0.223	C	C	.	.	H	α-helix	trans	-73.7	-28.3	-172.5	68.8	-178.2	0	0	0	112.7	F342 D367 I373 G375 V381 H382 I383	F342-I371 HydrophobicContact CD2-CG1 4.47Å; F342-I371 HydrophobicContact CE2-CD1 3.7Å; F342-I371 HydrophobicContact CE2-CG1 3.73Å; F342-I371 HydrophobicContact CZ-CD1 4.09Å; F342-I371 HydrophobicContact CZ-CG1 4.45Å; D367-I371 WeakPolarHBondContact O-CG1 3.47Å; D367-I371 PolarHBondContact O-N 3.05Å; I371-I373 VanDerWaalsContact C-N 3.33Å; I371-G375 PolarHBondContact O-N 2.99Å; I371-V381 HydrophobicContact CB-CG1 4.25Å; I371-V381 HydrophobicContact CD1-CG1 3.99Å; I371-V381 HydrophobicContact CG1-CG1 3.94Å; I371-V381 WeakPolarHBondContact O-CG2 3.37Å; I371-H382 VanDerWaalsContact CD1-O 3.31Å; I371-H382 WeakPolarHBondContact CD1-O 3.14Å; I371-I383 HydrophobicContact CD1-CB 3.73Å; I371-I383 HydrophobicContact CD1-CG2 3.84Å
372	C	98.9	Very high	98.7	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-60.5	-45.5	170.4	178.1	0	0	0	0	110.6	F342 Y350 I352 E368 I370 G375 M376	F342-C372 HydrophobicContact CB-CB 4.04Å; F342-C372 HydrophobicContact CD2-CB 3.93Å; F342-C372 HydrophobicContact CG-CB 4.17Å; Y350-C372 VanDerWaalsContact CD1-SG 3.56Å; I352-C372 HydrophobicContact CG2-CB 4.01Å; E368-C372 WeakPolarHBondContact O-CB 3.13Å; E368-C372 PolarHBondContact O-N 3.24Å; I370-C372 PolarHBondContact O-N 3.13Å; C372-G375 CarbonylContact O-C 3.52Å; C372-G375 WeakPolarHBondContact O-CA 3.37Å; C372-G375 PolarHBondContact O-N 3.14Å; C372-M376 WeakPolarHBondContact O-CG 3.5Å; C372-M376 PolarHBondContact O-N 2.88Å
373	I	98.9	Very high	98.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-71	-39.7	-179.3	-72.2	-61.8	0	0	0	112	V43 A55 K58 A59 L62 L179 G369 I370 I371 G375 M376 A377	V43-I373 HydrophobicContact CG1-CD1 4.03Å; A55-I373 HydrophobicContact CB-CG1 3.85Å; K58-I373 HydrophobicContact CB-CG2 4.16Å; K58-I373 HydrophobicContact CG-CB 4.26Å; K58-I373 HydrophobicContact CG-CG2 3.79Å; A59-I373 HydrophobicContact CB-CD1 3.88Å; A59-I373 HydrophobicContact CB-CG1 4.31Å; A59-I373 HydrophobicContact CB-CG2 3.87Å; L62-I373 HydrophobicContact CD1-CG2 3.93Å; L179-I373 HydrophobicContact CD2-CD1 4Å; L179-I373 HydrophobicContact CD2-CG1 4.24Å; G369-I373 WeakPolarHBondContact O-CB 3.39Å; G369-I373 VanDerWaalsContact O-CG1 3.25Å; G369-I373 WeakPolarHBondContact O-CG1 3.39Å; G369-I373 PolarHBondContact O-N 2.95Å; I370-I373 PolarHBondContact O-N 3Å; I371-I373 VanDerWaalsContact C-N 3.33Å; I373-G375 PolarHBondContact O-N 2.87Å; I373-M376 HydrophobicContact CD1-CE 3.87Å; I373-M376 HydrophobicContact CD1-SD 3.89Å; I373-M376 WeakPolarHBondContact O-CB 3.47Å; I373-M376 PolarHBondContact O-N 2.84Å; I373-M376 VanDerWaalsContact O-N 3.12Å; I373-A377 PolarHBondContact O-N 2.99Å; I373-A377 VanDerWaalsContact O-N 3.08Å
374	E	98.8	Very high	98.7	Very high	63 Å²	63	38.4 Å²	38.4	29%	0.294	24%	0.242	S	C	.	.	H	α-helix	trans	-61.3	-37.8	169.4	-70.4	177.1	150.3	0	0	111.1	K58 L62 I370 M376 A377 G378 G379	K58-E374 WeakPolarHBondContact CE-OE1 3.49Å; K58-E374 IonicContact NZ-OE1 3.64Å; K58-E374 PolarHBondContact NZ-OE1 3.31Å; L62-E374 HydrophobicContact CD1-CG 3.98Å; I370-E374 PolarHBondContact O-N 3.29Å; E374-M376 VanDerWaalsContact C-N 3.34Å; E374-M376 PolarHBondContact O-N 3.41Å; E374-A377 CarbonylContact O-C 3.58Å; E374-A377 WeakPolarHBondContact O-CA 2.99Å; E374-A377 PolarHBondContact O-N 3Å; E374-A377 VanDerWaalsContact O-N 3.1Å; E374-G378 PolarHBondContact O-N 2.86Å; E374-G379 WeakPolarHBondContact O-CA 3.47Å; E374-G379 PolarHBondContact O-N 2.88Å
375	G	98.8	Very high	98.7	Very high	12 Å²	12	42.7 Å²	42.7	12%	0.124	26%	0.259	C	S	.	.	H	α-helix	trans	-60.4	-36.3	171.1	0	0	0	0	0	114.1	R341 I371 C372 I373 A377 G378	R341-G375 PolarHBondContact NH1-O 3.05Å; I371-G375 PolarHBondContact O-N 2.99Å; C372-G375 CarbonylContact O-C 3.52Å; C372-G375 WeakPolarHBondContact O-CA 3.37Å; C372-G375 PolarHBondContact O-N 3.14Å; I373-G375 PolarHBondContact O-N 2.87Å; G375-A377 VanDerWaalsContact C-N 3.34Å; G375-G378 PolarHBondContact O-N 3.01Å
376	M	98.7	Very high	98.7	Very high	29 Å²	29	44.4 Å²	44.4	14%	0.143	27%	0.267	C	S	.	.	H	α-helix	trans	-68.7	-32.1	172.1	-59.5	-167.9	-163	0	0	112.2	V43 F64 N177 L179 Y350 C372 I373 E374 G378	V43-M376 HydrophobicContact CG2-SD 4.1Å; F64-M376 HydrophobicContact CE2-CB 4.28Å; F64-M376 HydrophobicContact CZ-CB 4.19Å; N177-M376 HydrophobicContact CB-SD 3.81Å; L179-M376 HydrophobicContact CB-CE 4.36Å; L179-M376 HydrophobicContact CD1-CE 4.39Å; Y350-M376 HydrophobicContact CD1-CE 3.76Å; Y350-M376 HydrophobicContact CD2-CE 3.45Å; Y350-M376 VanDerWaalsContact CD2-CE 3.45Å; Y350-M376 HydrophobicContact CD2-SD 4.36Å; Y350-M376 HydrophobicContact CE1-CE 3.95Å; Y350-M376 HydrophobicContact CE1-CG 3.89Å; Y350-M376 HydrophobicContact CE2-CE 3.69Å; Y350-M376 HydrophobicContact CE2-CG 4.24Å; Y350-M376 HydrophobicContact CE2-SD 4.02Å; Y350-M376 HydrophobicContact CG-CE 3.51Å; C372-M376 WeakPolarHBondContact O-CG 3.5Å; C372-M376 PolarHBondContact O-N 2.88Å; I373-M376 HydrophobicContact CD1-CE 3.87Å; I373-M376 HydrophobicContact CD1-SD 3.89Å; I373-M376 WeakPolarHBondContact O-CB 3.47Å; I373-M376 PolarHBondContact O-N 2.84Å; I373-M376 VanDerWaalsContact O-N 3.12Å; E374-M376 VanDerWaalsContact C-N 3.34Å; E374-M376 PolarHBondContact O-N 3.41Å; M376-G378 PolarHBondContact O-N 3.48Å
377	A	98.6	Very high	98.7	Very high	57 Å²	57	42.5 Å²	42.5	47%	0.471	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	6.1	173.6	0	0	0	0	0	113.7	L62 F64 I373 E374 G375	L62-A377 HydrophobicContact CD1-CB 3.76Å; F64-A377 HydrophobicContact CE2-CB 4.15Å; F64-A377 HydrophobicContact CZ-CB 4.13Å; I373-A377 PolarHBondContact O-N 2.99Å; I373-A377 VanDerWaalsContact O-N 3.08Å; E374-A377 CarbonylContact O-C 3.58Å; E374-A377 WeakPolarHBondContact O-CA 2.99Å; E374-A377 PolarHBondContact O-N 3Å; E374-A377 VanDerWaalsContact O-N 3.1Å; G375-A377 VanDerWaalsContact C-N 3.34Å
378	G	98.2	Very high	98.7	Very high	65 Å²	65	39.8 Å²	39.8	67%	0.67	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	89.9	3.7	178.7	0	0	0	0	0	115.2	E374 G375 M376	E374-G378 PolarHBondContact O-N 2.86Å; G375-G378 PolarHBondContact O-N 3.01Å; M376-G378 PolarHBondContact O-N 3.48Å
379	G	98.5	Very high	98.6	Very high	29 Å²	29	40.5 Å²	40.5	30%	0.299	25%	0.249	S	C	.	.			trans	-67.4	175.8	178.6	0	0	0	0	0	114.6	R341 E374	R341-G379 PolarHBondContact NH1-O 2.85Å; R341-G379 PolarHBondContact NH2-O 3.39Å; E374-G379 WeakPolarHBondContact O-CA 3.47Å; E374-G379 PolarHBondContact O-N 2.88Å
380	A	98.3	Very high	98.6	Very high	86 Å²	86	41.7 Å²	41.7	71%	0.711	26%	0.258	S	S	*	.			trans	-69	158	164.8	0	0	0	0	0	110.4
381	V	98.6	Very high	98.6	Very high	28 Å²	28	40.5 Å²	40.5	17%	0.17	25%	0.253	C	S	.	.			trans	-135.9	117	173.3	-173.7	0	0	0	0	107.7	N340 R341 F342 I371	N340-V381 WeakPolarHBondContact O-CG1 3.45Å; R341-V381 HydrophobicContact CB-CG2 4.49Å; R341-V381 HydrophobicContact CG-CB 4.26Å; R341-V381 HydrophobicContact CG-CG2 3.96Å; F342-V381 HydrophobicContact CD2-CG1 3.91Å; F342-V381 HydrophobicContact CE2-CG1 3.58Å; I371-V381 HydrophobicContact CB-CG1 4.25Å; I371-V381 HydrophobicContact CD1-CG1 3.99Å; I371-V381 HydrophobicContact CG1-CG1 3.94Å; I371-V381 WeakPolarHBondContact O-CG2 3.37Å
382	H	98.4	Very high	98.6	Very high	148 Å²	148	39.4 Å²	39.4	69%	0.685	25%	0.247	S	C	*	.			trans	-152.5	141.8	177.4	-175.9	64.6	0	0	0	109.6	I371	I371-H382 VanDerWaalsContact CD1-O 3.31Å; I371-H382 WeakPolarHBondContact CD1-O 3.14Å
383	I	98.5	Very high	98.6	Very high	34 Å²	34	43.6 Å²	43.6	17%	0.174	26%	0.263	C	S	.	.			trans	-152.2	129.8	170.7	-179.8	168.6	0	0	0	106.4	F342 D367 E368 I371 Y385 V388	F342-I383 HydrophobicContact CZ-CG2 4.15Å; D367-I383 HydrophobicContact CB-CD1 4.13Å; E368-I383 HydrophobicContact CG-CD1 4.24Å; I371-I383 HydrophobicContact CD1-CB 3.73Å; I371-I383 HydrophobicContact CD1-CG2 3.84Å; I383-Y385 HydrophobicContact CD1-CD1 4.33Å; I383-Y385 HydrophobicContact CD1-CE1 4.02Å; I383-Y385 HydrophobicContact CG1-CD1 4.48Å; I383-Y385 HydrophobicContact CG1-CE1 4.39Å; I383-Y385 HydrophobicContact CG2-CE1 4Å; I383-Y385 HydrophobicContact CG2-CE2 3.99Å; I383-V388 HydrophobicContact CD1-CG2 4.35Å
384	D	98.6	Very high	98.6	Very high	56 Å²	56	43.8 Å²	43.8	30%	0.299	26%	0.264	S	S	.	.			trans	-94.1	104.3	169.2	-171.4	3.8	0	0	0	110	N386 C387 V388	D384-N386 PolarHBondContact O-N 3.04Å; D384-N386 VanDerWaalsContact O-N 3.08Å; D384-N386 WeakPolarHBondContact OD1-CB 3.48Å; D384-N386 PolarHBondContact OD1-N 3.44Å; D384-C387 HydrophobicContact CB-CB 4.29Å; D384-C387 PolarHBondContact O-N 3.32Å; D384-V388 PolarHBondContact O-N 3.04Å
385	Y	98.4	Very high	98.6	Very high	91 Å²	91	42.9 Å²	42.9	36%	0.357	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-12.5	175.3	-58.8	-71.4	0	0	0	113.6	K364 E368 I383	K364-Y385 HydrophobicContact CG-CE1 4.49Å; E368-Y385 WeakPolarHBondContact OE1-CE1 3.43Å; E368-Y385 PolarHBondContact OE1-OH 3.44Å; I383-Y385 HydrophobicContact CD1-CD1 4.33Å; I383-Y385 HydrophobicContact CD1-CE1 4.02Å; I383-Y385 HydrophobicContact CG1-CD1 4.48Å; I383-Y385 HydrophobicContact CG1-CE1 4.39Å; I383-Y385 HydrophobicContact CG2-CE1 4Å; I383-Y385 HydrophobicContact CG2-CE2 3.99Å
386	N	98.4	Very high	98.6	Very high	43 Å²	43	42.4 Å²	42.4	23%	0.23	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-24.9	170.8	-178.2	83.5	0	0	0	112.4	D384 G402 K403 M470	D384-N386 PolarHBondContact O-N 3.04Å; D384-N386 VanDerWaalsContact O-N 3.08Å; D384-N386 WeakPolarHBondContact OD1-CB 3.48Å; D384-N386 PolarHBondContact OD1-N 3.44Å; N386-G402 VanDerWaalsContact O-CA 3.25Å; N386-G402 WeakPolarHBondContact O-CA 3.27Å; N386-G402 PolarHBondContact O-N 2.95Å; N386-K403 WeakPolarHBondContact OD1-CD 3.25Å; N386-K403 WeakPolarHBondContact OD1-CE 3.42Å; N386-M470 VanDerWaalsContact ND2-CE 3.33Å; N386-M470 WeakPolarHBondContact ND2-CE 3.46Å
387	C	98.7	Very high	98.6	Very high	6 Å²	6	43 Å²	43	4%	0.041	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.6	176.6	-66.8	0	0	0	0	113.7	D384 P389 V401 E471	D384-C387 HydrophobicContact CB-CB 4.29Å; D384-C387 PolarHBondContact O-N 3.32Å; C387-P389 VanDerWaalsContact O-CD 3.29Å; C387-P389 WeakPolarHBondContact O-CD 3.42Å; C387-V401 WeakPolarHBondContact O-CG2 3.37Å; C387-E471 HydrophobicContact CB-CG 3.9Å; C387-E471 WeakPolarHBondContact CB-OE1 2.96Å
388	V	98.8	Very high	98.6	Very high	16 Å²	16	40.2 Å²	40.2	10%	0.097	24%	0.235	C	C	.	.			trans	-70.1	115.6	174.7	173.6	0	0	0	0	110.3	P359 L361 K364 I383 D384	P359-V388 HydrophobicContact CG-CG1 4.45Å; L361-V388 HydrophobicContact CD1-CG1 4.14Å; K364-V388 HydrophobicContact CB-CG1 4.13Å; I383-V388 HydrophobicContact CD1-CG2 4.35Å; D384-V388 PolarHBondContact O-N 3.04Å
389	P	98.8	Very high	98.7	Very high	16 Å²	16	37.1 Å²	37.1	10%	0.104	20%	0.203	C	C	.	.			trans	-75.5	155.6	-178.5	31.4	-35.7	0	0	0	112.2	H363 C387 W400 V401 V463	H363-P389 PolarHBondContact CE1-O 3.28Å; H363-P389 PolarHBondContact NE2-O 3.21Å; C387-P389 VanDerWaalsContact O-CD 3.29Å; C387-P389 WeakPolarHBondContact O-CD 3.42Å; P389-W400 CarbonylContact C-O 3.56Å; P389-W400 WeakPolarHBondContact CA-O 3.4Å; P389-V401 HydrophobicContact CB-CB 4.35Å; P389-V463 HydrophobicContact CB-CG1 3.94Å; P389-V463 HydrophobicContact CB-CG2 3.82Å
390	S	98.9	Very high	98.7	Very high	25 Å²	25	36.7 Å²	36.7	18%	0.175	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.1	172.1	-68	0	0	0	0	110.2	A399 W400	S390-A399 CarbonylContact O-C 3.16Å; S390-A399 VanDerWaalsContact O-CA 3.23Å; S390-A399 WeakPolarHBondContact O-CA 3.49Å; S390-W400 VanDerWaalsContact CB-CE2 3.46Å; S390-W400 PolarHBondContact N-O 2.82Å; S390-W400 PolarHBondContact O-N 3.44Å
391	V	98.9	Very high	98.7	Very high	23 Å²	23	32.6 Å²	32.6	14%	0.139	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	138.3	-175.6	-171.4	0	0	0	0	111.7	Y393 V398 A399 V463	V391-Y393 HydrophobicContact CB-CD2 4.05Å; V391-Y393 HydrophobicContact CB-CE2 3.48Å; V391-Y393 VanDerWaalsContact CB-CE2 3.48Å; V391-Y393 HydrophobicContact CG1-CD1 4.07Å; V391-Y393 HydrophobicContact CG1-CD2 3.61Å; V391-Y393 HydrophobicContact CG1-CE1 3.85Å; V391-Y393 HydrophobicContact CG1-CE2 3.42Å; V391-Y393 VanDerWaalsContact CG1-CE2 3.42Å; V391-Y393 HydrophobicContact CG1-CG 3.99Å; V391-V398 CarbonylContact C-O 3.56Å; V391-V398 WeakPolarHBondContact CA-O 3.34Å; V391-A399 HydrophobicContact CB-CB 4.46Å; V391-A399 HydrophobicContact CG1-CB 4.27Å; V391-A399 HydrophobicContact CG2-CB 3.97Å; V391-V463 HydrophobicContact CG2-CG1 4.02Å
392	I	98.9	Very high	98.7	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.7	170.3	-49.2	-177.9	0	0	0	107.3	V222 V225 E226 I252 F260 T394 E397 V398 W400	V222-I392 HydrophobicContact CB-CG1 4.45Å; V222-I392 HydrophobicContact CG1-CB 4.44Å; V222-I392 HydrophobicContact CG1-CG1 4.08Å; V222-I392 HydrophobicContact CG1-CG2 4.3Å; V222-I392 HydrophobicContact CG2-CD1 4.16Å; V222-I392 HydrophobicContact CG2-CG1 3.95Å; V225-I392 HydrophobicContact CG2-CG2 3.84Å; E226-I392 HydrophobicContact CG-CG2 4.17Å; I252-I392 HydrophobicContact CD1-CD1 4.34Å; F260-I392 HydrophobicContact CE1-CD1 3.9Å; F260-I392 HydrophobicContact CE1-CG2 4.33Å; F260-I392 HydrophobicContact CZ-CD1 4.48Å; F260-I392 HydrophobicContact CZ-CG2 3.92Å; I392-T394 HydrophobicContact CG2-CG2 4.02Å; I392-T394 PolarHBondContact O-N 3.17Å; I392-T394 VanDerWaalsContact O-N 3.15Å; I392-E397 WeakPolarHBondContact O-CA 3.43Å; I392-V398 HydrophobicContact CB-CB 4.06Å; I392-V398 HydrophobicContact CB-CG2 4.26Å; I392-V398 HydrophobicContact CD1-CB 4.26Å; I392-V398 HydrophobicContact CD1-CG2 4.4Å; I392-V398 HydrophobicContact CG1-CB 4.26Å; I392-V398 PolarHBondContact N-O 3.11Å; I392-V398 PolarHBondContact O-N 3.28Å; I392-W400 HydrophobicContact CD1-CH2 4.27Å; I392-W400 HydrophobicContact CD1-CZ3 4Å; I392-W400 HydrophobicContact CG1-CH2 4.36Å; I392-W400 HydrophobicContact CG1-CZ3 3.98Å
393	Y	98.8	Very high	98.8	Very high	88 Å²	88	27.2 Å²	27.2	35%	0.345	14%	0.135	S	C	.	.			trans	-93.8	38.4	-169.6	-61.7	-107.5	0	0	0	112	K88 L91 E226 V391	K88-Y393 HydrophobicContact CD-CD2 4.37Å; K88-Y393 HydrophobicContact CD-CG 4.35Å; K88-Y393 VanDerWaalsContact CE-CE2 3.4Å; K88-Y393 HydrophobicContact CG-CD1 4.34Å; K88-Y393 HydrophobicContact CG-CG 4.31Å; K88-Y393 VanDerWaalsContact NZ-CD2 3.28Å; L91-Y393 WeakPolarHBondContact CD1-O 3.46Å; L91-Y393 WeakPolarHBondContact CD2-O 3.46Å; E226-Y393 WeakPolarHBondContact OE1-CD2 3.44Å; E226-Y393 PolarHBondContact OE1-N 2.7Å; V391-Y393 HydrophobicContact CB-CD2 4.05Å; V391-Y393 HydrophobicContact CB-CE2 3.48Å; V391-Y393 VanDerWaalsContact CB-CE2 3.48Å; V391-Y393 HydrophobicContact CG1-CD1 4.07Å; V391-Y393 HydrophobicContact CG1-CD2 3.61Å; V391-Y393 HydrophobicContact CG1-CE1 3.85Å; V391-Y393 HydrophobicContact CG1-CE2 3.42Å; V391-Y393 VanDerWaalsContact CG1-CE2 3.42Å; V391-Y393 HydrophobicContact CG1-CG 3.99Å
394	T	98.8	Very high	98.8	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.025	13%	0.128	C	C	.	.	S	Bend	trans	-65.8	-175.7	162.5	44.5	0	0	0	0	110.1	F260 L264 I392 P396 E397	F260-T394 HydrophobicContact CE2-CG2 4.21Å; F260-T394 WeakPolarHBondContact CE2-OG1 3.46Å; F260-T394 HydrophobicContact CZ-CG2 3.93Å; F260-T394 VanDerWaalsContact CZ-OG1 3.32Å; F260-T394 WeakPolarHBondContact CZ-OG1 3.36Å; L264-T394 HydrophobicContact CD2-CG2 4.47Å; I392-T394 HydrophobicContact CG2-CG2 4.02Å; I392-T394 PolarHBondContact O-N 3.17Å; I392-T394 VanDerWaalsContact O-N 3.15Å; T394-P396 CarbonylContact C-O 3.55Å; T394-P396 WeakPolarHBondContact CB-O 3.44Å; T394-P396 CarbonylContact O-C 3.33Å; T394-P396 PolarHBondContact OG1-O 2.86Å; T394-E397 WeakPolarHBondContact O-CA 3.36Å; T394-E397 VanDerWaalsContact O-CG 3.29Å; T394-E397 WeakPolarHBondContact O-CG 2.99Å; T394-E397 PolarHBondContact O-N 3.19Å
395	H	98.7	Very high	98.8	Very high	44 Å²	44	24.3 Å²	24.3	20%	0.204	12%	0.119	C	C	.	.	S	Bend	trans	-133.2	114.7	169.4	177.8	85.7	0	0	0	106.7	H95 R233 Q267 D433 T457	H95-H395 AromaticContact CE1-CD2 3.37Å; H95-H395 PolarHBondContact CE1-CD2 3.3Å; H95-H395 AromaticContact CE1-CE1 3.52Å; H95-H395 AromaticContact CE1-CG 3.45Å; H95-H395 VanDerWaalsContact CE1-CG 3.45Å; H95-H395 AromaticContact CE1-ND1 3.55Å; H95-H395 AromaticContact CE1-NE2 3.41Å; H95-H395 PolarHBondContact CE1-NE2 3.4Å; H95-H395 AromaticContact ND1-CD2 3.76Å; H95-H395 AromaticContact ND1-CG 3.77Å; H95-H395 AromaticContact NE2-CE1 3.74Å; H95-H395 AromaticContact NE2-CG 3.88Å; H95-H395 AromaticContact NE2-ND1 3.6Å; R233-H395 PolarHBondContact NH2-O 3.17Å; Q267-H395 PolarHBondContact NE2-O 2.95Å; Q267-H395 PolarHBondContact OE1-O 2.92Å; H395-D433 IonicContact CE1-OD1 2.73Å; H395-D433 IonicContact CE1-OD2 2.87Å; H395-D433 PolarHBondContact CE1-OD2 3.37Å; H395-D433 IonicContact NE2-OD1 3.56Å; H395-D433 IonicContact NE2-OD2 2.63Å; H395-T457 PolarHBondContact CE1-OG1 2.9Å; H395-T457 VanDerWaalsContact CE1-OG1 3.3Å
396	P	98.6	Very high	98.8	Very high	3 Å²	3	22.2 Å²	22.2	2%	0.019	11%	0.113	C	C	.	.	S	Bend	cis	-58	155	-4.9	28.2	-36.5	0	0	0	112.5	I263 T394 D435 L455	I263-P396 HydrophobicContact CD1-CG 4.13Å; I263-P396 HydrophobicContact CG2-CG 3.81Å; T394-P396 CarbonylContact C-O 3.55Å; T394-P396 WeakPolarHBondContact CB-O 3.44Å; T394-P396 CarbonylContact O-C 3.33Å; T394-P396 PolarHBondContact OG1-O 2.86Å; P396-D435 HydrophobicContact CG-CB 4.48Å; P396-L455 HydrophobicContact CB-CD1 4.38Å; P396-L455 HydrophobicContact CG-CD1 4.01Å
397	E	98.9	Very high	98.8	Very high	40 Å²	40	23.2 Å²	23.2	19%	0.187	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	161.9	172.3	-62.5	179.2	142.2	0	0	109.7	I392 T394 L455 G456 G458 A459 G460	I392-E397 WeakPolarHBondContact O-CA 3.43Å; T394-E397 WeakPolarHBondContact O-CA 3.36Å; T394-E397 VanDerWaalsContact O-CG 3.29Å; T394-E397 WeakPolarHBondContact O-CG 2.99Å; T394-E397 PolarHBondContact O-N 3.19Å; E397-L455 WeakPolarHBondContact O-CA 3.18Å; E397-G456 WeakPolarHBondContact CB-O 3.2Å; E397-G456 PolarHBondContact N-O 3.45Å; E397-G456 PolarHBondContact O-N 3.22Å; E397-G458 VanDerWaalsContact OE2-C 3.28Å; E397-G458 VanDerWaalsContact OE2-CA 3.3Å; E397-G458 WeakPolarHBondContact OE2-CA 3.44Å; E397-G458 PolarHBondContact OE2-N 3.48Å; E397-A459 HydrophobicContact CB-CB 3.73Å; E397-A459 PolarHBondContact OE2-N 2.94Å; E397-G460 PolarHBondContact OE2-N 3.07Å
398	V	98.9	Very high	98.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.5	167	-161.5	0	0	0	0	108.1	I252 I256 F260 V391 I392 W400 I454 L455	I252-V398 HydrophobicContact CD1-CG1 4.17Å; I256-V398 HydrophobicContact CG2-CG1 3.55Å; F260-V398 HydrophobicContact CB-CG2 4.29Å; F260-V398 HydrophobicContact CD1-CG2 3.76Å; F260-V398 HydrophobicContact CD2-CG2 3.48Å; F260-V398 VanDerWaalsContact CD2-CG2 3.48Å; F260-V398 HydrophobicContact CE1-CG2 3.82Å; F260-V398 HydrophobicContact CE2-CG2 3.55Å; F260-V398 HydrophobicContact CG-CG2 3.58Å; F260-V398 HydrophobicContact CZ-CG2 3.71Å; V391-V398 CarbonylContact C-O 3.56Å; V391-V398 WeakPolarHBondContact CA-O 3.34Å; I392-V398 HydrophobicContact CB-CB 4.06Å; I392-V398 HydrophobicContact CB-CG2 4.26Å; I392-V398 HydrophobicContact CD1-CB 4.26Å; I392-V398 HydrophobicContact CD1-CG2 4.4Å; I392-V398 HydrophobicContact CG1-CB 4.26Å; I392-V398 PolarHBondContact N-O 3.11Å; I392-V398 PolarHBondContact O-N 3.28Å; V398-W400 HydrophobicContact CG1-CE3 4.23Å; V398-W400 HydrophobicContact CG1-CZ3 4.3Å; V398-I454 CarbonylContact C-O 3.59Å; V398-I454 WeakPolarHBondContact CA-O 3.37Å; V398-L455 HydrophobicContact CG2-CD1 3.91Å
399	A	98.9	Very high	98.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	146.2	174.6	0	0	0	0	0	111.5	S390 V391 I454 A459 V463	S390-A399 CarbonylContact O-C 3.16Å; S390-A399 VanDerWaalsContact O-CA 3.23Å; S390-A399 WeakPolarHBondContact O-CA 3.49Å; V391-A399 HydrophobicContact CB-CB 4.46Å; V391-A399 HydrophobicContact CG1-CB 4.27Å; V391-A399 HydrophobicContact CG2-CB 3.97Å; A399-I454 PolarHBondContact N-O 3.01Å; A399-I454 PolarHBondContact O-N 3Å; A399-A459 VanDerWaalsContact CB-C 3.5Å; A399-A459 HydrophobicContact CB-CB 3.81Å; A399-A459 WeakPolarHBondContact CB-O 3.41Å; A399-V463 HydrophobicContact CB-CB 3.68Å; A399-V463 HydrophobicContact CB-CG1 3.91Å; A399-V463 HydrophobicContact CB-CG2 4.08Å
400	W	98.9	Very high	98.8	Very high	19 Å²	19	34.6 Å²	34.6	7%	0.072	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	159	176.7	67.9	96.1	0	0	0	113.3	G251 I252 P389 S390 I392 V398 A452 H453	G251-W400 PolarHBondContact O-NE1 2.95Å; I252-W400 HydrophobicContact CB-CH2 3.91Å; I252-W400 HydrophobicContact CB-CZ2 4Å; I252-W400 HydrophobicContact CB-CZ3 4.22Å; I252-W400 HydrophobicContact CD1-CH2 4.47Å; I252-W400 HydrophobicContact CD1-CZ3 4.14Å; I252-W400 HydrophobicContact CG1-CE3 4.26Å; I252-W400 HydrophobicContact CG1-CH2 4.26Å; I252-W400 HydrophobicContact CG1-CZ3 4.05Å; P389-W400 CarbonylContact C-O 3.56Å; P389-W400 WeakPolarHBondContact CA-O 3.4Å; S390-W400 VanDerWaalsContact CB-CE2 3.46Å; S390-W400 PolarHBondContact N-O 2.82Å; S390-W400 PolarHBondContact O-N 3.44Å; I392-W400 HydrophobicContact CD1-CH2 4.27Å; I392-W400 HydrophobicContact CD1-CZ3 4Å; I392-W400 HydrophobicContact CG1-CH2 4.36Å; I392-W400 HydrophobicContact CG1-CZ3 3.98Å; V398-W400 HydrophobicContact CG1-CE3 4.23Å; V398-W400 HydrophobicContact CG1-CZ3 4.3Å; W400-A452 CarbonylContact C-O 3.54Å; W400-A452 WeakPolarHBondContact CA-O 3.26Å; W400-A452 WeakPolarHBondContact CB-O 3.31Å; W400-H453 HydrophobicContact CB-CB 4.33Å; W400-H453 WeakPolarHBondContact CB-ND1 3.33Å
401	V	98.9	Very high	98.7	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152	174.6	62.1	0	0	0	0	109.3	C387 P389 G451 A452 V463 A466 A467 M470	C387-V401 WeakPolarHBondContact O-CG2 3.37Å; P389-V401 HydrophobicContact CB-CB 4.35Å; V401-G451 CarbonylContact O-C 3.47Å; V401-G451 VanDerWaalsContact O-CA 3.24Å; V401-G451 WeakPolarHBondContact O-CA 3.5Å; V401-A452 HydrophobicContact CG1-CB 4.26Å; V401-A452 PolarHBondContact N-O 2.89Å; V401-A452 PolarHBondContact O-N 3.27Å; V401-V463 HydrophobicContact CB-CG2 4.07Å; V401-V463 HydrophobicContact CG1-CG2 3.99Å; V401-A466 HydrophobicContact CG1-CB 3.69Å; V401-A467 HydrophobicContact CG2-CB 4.29Å; V401-M470 HydrophobicContact CG1-SD 4.03Å; V401-M470 HydrophobicContact CG2-SD 4.23Å
402	G	98.7	Very high	98.7	Very high	14 Å²	14	40.1 Å²	40.1	14%	0.144	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	75.7	-157.6	-174.4	0	0	0	0	0	114.5	N386	N386-G402 VanDerWaalsContact O-CA 3.25Å; N386-G402 WeakPolarHBondContact O-CA 3.27Å; N386-G402 PolarHBondContact O-N 2.95Å
403	K	98.8	Very high	98.7	Very high	49 Å²	49	42 Å²	42	21%	0.213	21%	0.214	C	C	.	.			trans	-83	148.4	-174.7	-57.7	-55.8	-175.7	78	0	112.9	N386 Q407 L408 E411 L441 L450 H453	N386-K403 WeakPolarHBondContact OD1-CD 3.25Å; N386-K403 WeakPolarHBondContact OD1-CE 3.42Å; K403-Q407 VanDerWaalsContact CA-OE1 3.27Å; K403-Q407 HydrophobicContact CB-CB 4.29Å; K403-Q407 HydrophobicContact CD-CB 4.36Å; K403-L408 HydrophobicContact CB-CD1 4.48Å; K403-L408 HydrophobicContact CB-CD2 3.68Å; K403-L408 HydrophobicContact CB-CG 3.85Å; K403-L408 HydrophobicContact CG-CD2 3.88Å; K403-E411 IonicContact NZ-OE1 3.94Å; K403-E411 PolarHBondContact NZ-OE1 3.45Å; K403-E411 IonicContact NZ-OE2 3.26Å; K403-E411 PolarHBondContact NZ-OE2 3.36Å; K403-L441 WeakPolarHBondContact O-CD1 3.28Å; K403-L450 PolarHBondContact N-O 3.39Å; K403-H453 PolarHBondContact O-CE1 3.09Å; K403-H453 PolarHBondContact O-NE2 3.45Å
404	T	98.9	Very high	98.7	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.031	22%	0.215	C	C	.	.			trans	-82.9	166.3	165.2	86.7	0	0	0	0	111.7	G251 D253 E406 Q407 L408	G251-T404 WeakPolarHBondContact O-CG2 3.37Å; D253-T404 HydrophobicContact CB-CG2 4.36Å; T404-E406 WeakPolarHBondContact CB-OE2 3.39Å; T404-E406 PolarHBondContact O-N 3.33Å; T404-E406 PolarHBondContact OG1-N 2.82Å; T404-E406 VanDerWaalsContact OG1-N 3.12Å; T404-E406 PolarHBondContact OG1-OE2 2.71Å; T404-Q407 PolarHBondContact O-N 3.25Å; T404-Q407 PolarHBondContact OG1-N 3.16Å; T404-L408 WeakPolarHBondContact O-CG 3.41Å; T404-L408 PolarHBondContact O-N 2.69Å; T404-L408 VanDerWaalsContact O-N 3.12Å
405	E	98.6	Very high	98.7	Very high	24 Å²	24	42.9 Å²	42.9	11%	0.112	22%	0.224	C	C	.	.	H	α-helix	trans	-58	-35.4	171.7	-84.9	-158.3	-126.9	0	0	112.9	L408 K409 Y415 K439 L441	E405-L408 PolarHBondContact O-N 2.86Å; E405-K409 WeakPolarHBondContact O-CB 3.49Å; E405-K409 VanDerWaalsContact O-CD 3.27Å; E405-K409 WeakPolarHBondContact O-CD 3.41Å; E405-K409 WeakPolarHBondContact O-CE 3.47Å; E405-K409 WeakPolarHBondContact O-CG 3.41Å; E405-K409 PolarHBondContact O-N 3.25Å; E405-K409 VanDerWaalsContact OE2-CE 3.25Å; E405-K409 WeakPolarHBondContact OE2-CE 3.08Å; E405-K409 IonicContact OE2-NZ 2.75Å; E405-K409 PolarHBondContact OE2-NZ 3.2Å; E405-Y415 HydrophobicContact CG-CE2 3.75Å; E405-Y415 PolarHBondContact OE2-OH 2.64Å; E405-K439 WeakPolarHBondContact OE1-CE 3.48Å; E405-K439 IonicContact OE1-NZ 3.98Å; E405-K439 PolarHBondContact OE1-NZ 3.15Å; E405-L441 HydrophobicContact CB-CD1 4.41Å; E405-L441 HydrophobicContact CG-CD1 3.86Å; E405-L441 HydrophobicContact CG-CD2 3.62Å; E405-L441 HydrophobicContact CG-CG 4.43Å
406	E	98.6	Very high	98.7	Very high	47 Å²	47	43.5 Å²	43.5	22%	0.22	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-39.4	-179.4	-63.4	63.6	-130.7	0	0	111.2	M254 T404 Q410	M254-E406 VanDerWaalsContact CG-CD 3.44Å; M254-E406 HydrophobicContact CG-CG 3.7Å; M254-E406 PolarHBondContact N-OE2 2.95Å; T404-E406 WeakPolarHBondContact CB-OE2 3.39Å; T404-E406 PolarHBondContact O-N 3.33Å; T404-E406 PolarHBondContact OG1-N 2.82Å; T404-E406 VanDerWaalsContact OG1-N 3.12Å; T404-E406 PolarHBondContact OG1-OE2 2.71Å; E406-Q410 WeakPolarHBondContact O-CB 3.44Å; E406-Q410 WeakPolarHBondContact O-CG 3.43Å; E406-Q410 PolarHBondContact O-N 3.2Å
407	Q	98.7	Very high	98.7	Very high	63 Å²	63	46 Å²	46	29%	0.294	24%	0.241	S	C	.	.	H	α-helix	trans	-66.8	-47.2	175.5	-68.9	173.2	-44.2	0	0	111.1	K403 T404 K409 Q410 E411	K403-Q407 VanDerWaalsContact CA-OE1 3.27Å; K403-Q407 HydrophobicContact CB-CB 4.29Å; K403-Q407 HydrophobicContact CD-CB 4.36Å; T404-Q407 PolarHBondContact O-N 3.25Å; T404-Q407 PolarHBondContact OG1-N 3.16Å; Q407-K409 VanDerWaalsContact C-N 3.29Å; Q407-K409 PolarHBondContact O-N 3.5Å; Q407-Q410 PolarHBondContact O-N 3.43Å; Q407-Q410 VanDerWaalsContact O-N 3.12Å; Q407-E411 WeakPolarHBondContact O-CB 3.39Å; Q407-E411 VanDerWaalsContact O-CG 3.28Å; Q407-E411 WeakPolarHBondContact O-CG 3.46Å; Q407-E411 PolarHBondContact O-N 3.47Å
408	L	98.8	Very high	98.7	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-62.4	-35.9	178.1	-62.6	-179.7	0	0	0	112.3	K403 T404 E405 G412 V413 Y415 L441 L450	K403-L408 HydrophobicContact CB-CD1 4.48Å; K403-L408 HydrophobicContact CB-CD2 3.68Å; K403-L408 HydrophobicContact CB-CG 3.85Å; K403-L408 HydrophobicContact CG-CD2 3.88Å; T404-L408 WeakPolarHBondContact O-CG 3.41Å; T404-L408 PolarHBondContact O-N 2.69Å; T404-L408 VanDerWaalsContact O-N 3.12Å; E405-L408 PolarHBondContact O-N 2.86Å; L408-G412 PolarHBondContact O-N 3.27Å; L408-V413 HydrophobicContact CB-CB 4.45Å; L408-V413 HydrophobicContact CD2-CB 4.01Å; L408-V413 HydrophobicContact CD2-CG1 4.1Å; L408-V413 HydrophobicContact CD2-CG2 4.35Å; L408-V413 PolarHBondContact O-N 2.83Å; L408-Y415 HydrophobicContact CB-CD1 3.83Å; L408-Y415 HydrophobicContact CB-CE1 4.16Å; L408-Y415 HydrophobicContact CB-CG 4.4Å; L408-Y415 HydrophobicContact CD1-CD1 4.12Å; L408-Y415 HydrophobicContact CD1-CD2 4.27Å; L408-Y415 HydrophobicContact CD1-CG 3.83Å; L408-L441 HydrophobicContact CD1-CB 3.98Å; L408-L441 HydrophobicContact CD1-CD1 3.89Å; L408-L450 HydrophobicContact CD1-CB 4.01Å; L408-L450 HydrophobicContact CD1-CD1 3.84Å; L408-L450 HydrophobicContact CD2-CB 4.35Å; L408-L450 HydrophobicContact CD2-CD1 4.02Å
409	K	98.6	Very high	98.7	Very high	114 Å²	114	47.3 Å²	47.3	50%	0.496	25%	0.246	S	C	.	.	H	α-helix	trans	-64.9	-42.1	172.1	-71.5	161	-160.8	167.4	0	112.6	E405 Q407 G412 Y415	E405-K409 WeakPolarHBondContact O-CB 3.49Å; E405-K409 VanDerWaalsContact O-CD 3.27Å; E405-K409 WeakPolarHBondContact O-CD 3.41Å; E405-K409 WeakPolarHBondContact O-CE 3.47Å; E405-K409 WeakPolarHBondContact O-CG 3.41Å; E405-K409 PolarHBondContact O-N 3.25Å; E405-K409 VanDerWaalsContact OE2-CE 3.25Å; E405-K409 WeakPolarHBondContact OE2-CE 3.08Å; E405-K409 IonicContact OE2-NZ 2.75Å; E405-K409 PolarHBondContact OE2-NZ 3.2Å; Q407-K409 VanDerWaalsContact C-N 3.29Å; Q407-K409 PolarHBondContact O-N 3.5Å; K409-G412 PolarHBondContact O-N 3.26Å; K409-Y415 WeakPolarHBondContact CE-OH 3.48Å; K409-Y415 HydrophobicContact CG-CE1 4.29Å
410	Q	98.4	Very high	98.7	Very high	162 Å²	162	47.5 Å²	47.5	76%	0.757	25%	0.247	S	C	*	.	H	α-helix	trans	-70	-34.7	178	-73.3	168.5	17.8	0	0	112.5	E406 Q407 G412	E406-Q410 WeakPolarHBondContact O-CB 3.44Å; E406-Q410 WeakPolarHBondContact O-CG 3.43Å; E406-Q410 PolarHBondContact O-N 3.2Å; Q407-Q410 PolarHBondContact O-N 3.43Å; Q407-Q410 VanDerWaalsContact O-N 3.12Å; Q410-G412 VanDerWaalsContact C-N 3.32Å
411	E	98.4	Very high	98.7	Very high	101 Å²	101	47.9 Å²	47.9	47%	0.472	25%	0.252	S	S	.	.	H	α-helix	trans	-82.1	-7.9	178.1	-67.4	169	-166.1	0	0	113	K403 Q407 V413	K403-E411 IonicContact NZ-OE1 3.94Å; K403-E411 PolarHBondContact NZ-OE1 3.45Å; K403-E411 IonicContact NZ-OE2 3.26Å; K403-E411 PolarHBondContact NZ-OE2 3.36Å; Q407-E411 WeakPolarHBondContact O-CB 3.39Å; Q407-E411 VanDerWaalsContact O-CG 3.28Å; Q407-E411 WeakPolarHBondContact O-CG 3.46Å; Q407-E411 PolarHBondContact O-N 3.47Å; E411-V413 VanDerWaalsContact C-N 3.25Å; E411-V413 HydrophobicContact CB-CG2 3.84Å; E411-V413 PolarHBondContact O-N 3.1Å
412	G	98.5	Very high	98.7	Very high	63 Å²	63	48 Å²	48	65%	0.649	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	71	15.4	-179.3	0	0	0	0	0	114.7	L408 K409 Q410	L408-G412 PolarHBondContact O-N 3.27Å; K409-G412 PolarHBondContact O-N 3.26Å; Q410-G412 VanDerWaalsContact C-N 3.32Å
413	V	98.7	Very high	98.7	Very high	39 Å²	39	50 Å²	50	24%	0.236	27%	0.267	C	S	.	.			trans	-75.3	127.6	-174	176.8	0	0	0	0	110.3	L408 E411 Y415 L450	L408-V413 HydrophobicContact CB-CB 4.45Å; L408-V413 HydrophobicContact CD2-CB 4.01Å; L408-V413 HydrophobicContact CD2-CG1 4.1Å; L408-V413 HydrophobicContact CD2-CG2 4.35Å; L408-V413 PolarHBondContact O-N 2.83Å; E411-V413 VanDerWaalsContact C-N 3.25Å; E411-V413 HydrophobicContact CB-CG2 3.84Å; E411-V413 PolarHBondContact O-N 3.1Å; V413-Y415 WeakPolarHBondContact O-CD1 3.25Å; V413-Y415 PolarHBondContact O-N 3.44Å; V413-L450 HydrophobicContact CG1-CD1 3.8Å
414	P	98.5	Very high	98.7	Very high	55 Å²	55	49.1 Å²	49.1	36%	0.357	27%	0.269	S	S	.	.			trans	-76.2	115.2	178.4	30.5	-33	0	0	0	110.6	H443 K444	P414-H443 PolarHBondContact O-CD2 2.93Å; P414-H443 VanDerWaalsContact O-CD2 3.22Å; P414-K444 HydrophobicContact CB-CB 4.1Å; P414-K444 HydrophobicContact CB-CD 4.41Å; P414-K444 WeakPolarHBondContact O-CB 3.34Å; P414-K444 PolarHBondContact O-N 2.69Å
415	Y	98.8	Very high	98.7	Very high	55 Å²	55	49 Å²	49	22%	0.216	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	163.8	-178.2	73.4	-79.6	0	0	0	113	E405 L408 K409 V413 V417 L441 S442	E405-Y415 HydrophobicContact CG-CE2 3.75Å; E405-Y415 PolarHBondContact OE2-OH 2.64Å; L408-Y415 HydrophobicContact CB-CD1 3.83Å; L408-Y415 HydrophobicContact CB-CE1 4.16Å; L408-Y415 HydrophobicContact CB-CG 4.4Å; L408-Y415 HydrophobicContact CD1-CD1 4.12Å; L408-Y415 HydrophobicContact CD1-CD2 4.27Å; L408-Y415 HydrophobicContact CD1-CG 3.83Å; K409-Y415 WeakPolarHBondContact CE-OH 3.48Å; K409-Y415 HydrophobicContact CG-CE1 4.29Å; V413-Y415 WeakPolarHBondContact O-CD1 3.25Å; V413-Y415 PolarHBondContact O-N 3.44Å; Y415-V417 HydrophobicContact CD2-CG2 3.72Å; Y415-V417 HydrophobicContact CE2-CG2 3.4Å; Y415-V417 VanDerWaalsContact CE2-CG2 3.4Å; Y415-L441 HydrophobicContact CD2-CD2 4.07Å; Y415-L441 HydrophobicContact CE2-CD2 4.09Å; Y415-S442 CarbonylContact C-O 3.5Å; Y415-S442 WeakPolarHBondContact CA-O 3.39Å; Y415-S442 WeakPolarHBondContact CB-O 3.43Å
416	K	98.4	Very high	98.7	Very high	57 Å²	57	50.2 Å²	50.2	25%	0.248	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	159.7	169.6	62.5	-174.4	-177.7	164.2	0	109.4	S442 D447 A500 S501	K416-S442 WeakPolarHBondContact CE-OG 3.01Å; K416-S442 PolarHBondContact N-O 2.91Å; K416-S442 PolarHBondContact O-N 3.12Å; K416-D447 WeakPolarHBondContact CE-OD1 3.49Å; K416-D447 IonicContact NZ-OD1 3.98Å; K416-D447 PolarHBondContact NZ-OD1 2.97Å; K416-A500 WeakPolarHBondContact CD-O 3.31Å; K416-A500 WeakPolarHBondContact CE-O 3.46Å; K416-A500 PolarHBondContact NZ-O 3.33Å; K416-A500 VanDerWaalsContact NZ-O 3.1Å; K416-S501 PolarHBondContact NZ-O 3.44Å; K416-S501 VanDerWaalsContact NZ-O 3.1Å
417	V	98.9	Very high	98.7	Very high	56 Å²	56	53.3 Å²	53.3	34%	0.339	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	126.3	-169.7	-170.9	0	0	0	0	111	Y415 K419 K439 I440 L441	Y415-V417 HydrophobicContact CD2-CG2 3.72Å; Y415-V417 HydrophobicContact CE2-CG2 3.4Å; Y415-V417 VanDerWaalsContact CE2-CG2 3.4Å; V417-K419 HydrophobicContact CG1-CD 4.46Å; V417-K419 HydrophobicContact CG1-CG 4.14Å; V417-K439 HydrophobicContact CG1-CG 4.31Å; V417-I440 WeakPolarHBondContact CA-O 3.43Å; V417-L441 HydrophobicContact CB-CD2 4.38Å; V417-L441 HydrophobicContact CG1-CD2 4Å; V417-L441 HydrophobicContact CG2-CD2 3.79Å
418	G	98.8	Very high	98.7	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	145	166.8	0	0	0	0	0	111.1	K439 I440 A496	G418-K439 WeakPolarHBondContact O-CA 3.48Å; G418-I440 PolarHBondContact N-O 3.43Å; G418-I440 PolarHBondContact O-N 3.16Å; G418-A496 WeakPolarHBondContact CA-O 3.46Å
419	K	98.9	Very high	98.7	Very high	67 Å²	67	56.7 Å²	56.7	29%	0.291	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	143.2	179	-66.9	175.9	-175	171.7	0	110.3	E255 V417 M437 V438 K439	E255-K419 IonicContact OE1-NZ 2.78Å; E255-K419 PolarHBondContact OE1-NZ 3.24Å; E255-K419 WeakPolarHBondContact OE2-CE 3.28Å; E255-K419 IonicContact OE2-NZ 2.78Å; E255-K419 PolarHBondContact OE2-NZ 3.08Å; V417-K419 HydrophobicContact CG1-CD 4.46Å; V417-K419 HydrophobicContact CG1-CG 4.14Å; K419-M437 HydrophobicContact CD-SD 4.36Å; K419-V438 CarbonylContact C-O 3.51Å; K419-V438 VanDerWaalsContact CA-O 3.3Å; K419-V438 WeakPolarHBondContact CA-O 3.45Å; K419-K439 HydrophobicContact CG-CB 4.29Å; K419-K439 HydrophobicContact CG-CG 4.25Å
420	F	98.9	Very high	98.7	Very high	3 Å²	3	56.6 Å²	56.6	1%	0.013	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	122.9	172.4	-167.5	-93.1	0	0	0	111	A424 N425 M437 V438 A492 E495 A496 A505 N507 F508	F420-A424 HydrophobicContact CE1-CB 3.86Å; F420-A424 HydrophobicContact CE2-CB 4.17Å; F420-A424 HydrophobicContact CZ-CB 3.53Å; F420-N425 HydrophobicContact CE1-CB 4.1Å; F420-M437 CarbonylContact O-C 3.46Å; F420-M437 VanDerWaalsContact O-CA 3.26Å; F420-M437 WeakPolarHBondContact O-CA 3.44Å; F420-M437 WeakPolarHBondContact O-CB 3.38Å; F420-V438 PolarHBondContact N-O 3.02Å; F420-V438 PolarHBondContact O-N 2.97Å; F420-A492 HydrophobicContact CD1-CB 3.73Å; F420-A492 HydrophobicContact CE1-CB 4.35Å; F420-E495 HydrophobicContact CB-CB 4.16Å; F420-E495 HydrophobicContact CD1-CB 4.2Å; F420-E495 HydrophobicContact CD2-CB 3.33Å; F420-E495 HydrophobicContact CD2-CG 4.11Å; F420-E495 HydrophobicContact CE1-CB 4.44Å; F420-E495 HydrophobicContact CE2-CB 3.63Å; F420-E495 HydrophobicContact CE2-CG 3.86Å; F420-E495 HydrophobicContact CG-CB 3.63Å; F420-E495 HydrophobicContact CZ-CB 4.18Å; F420-E495 HydrophobicContact CZ-CG 4.1Å; F420-A496 HydrophobicContact CB-CB 3.89Å; F420-A505 HydrophobicContact CD2-CB 3.88Å; F420-A505 HydrophobicContact CE2-CB 4.14Å; F420-N507 HydrophobicContact CE2-CB 3.73Å; F420-N507 HydrophobicContact CZ-CB 3.72Å; F420-F508 HydrophobicContact CD2-CB 3.71Å; F420-F508 HydrophobicContact CE2-CB 3.56Å
421	P	98.8	Very high	98.7	Very high	27 Å²	27	51.9 Å²	51.9	18%	0.175	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	140.9	-178.2	32.1	-33.6	0	0	0	111.8	A423 A424 F508	P421-A423 PolarHBondContact O-N 3.21Å; P421-A423 VanDerWaalsContact O-N 3.14Å; P421-A424 HydrophobicContact CG-CB 4.08Å; P421-A424 PolarHBondContact O-N 3.42Å; P421-F508 HydrophobicContact CG-CD1 4.18Å; P421-F508 HydrophobicContact CG-CD2 3.72Å; P421-F508 HydrophobicContact CG-CE1 4.16Å; P421-F508 HydrophobicContact CG-CE2 3.72Å; P421-F508 HydrophobicContact CG-CG 3.97Å; P421-F508 HydrophobicContact CG-CZ 3.94Å
422	F	98.8	Very high	98.7	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.018	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-63.8	-20.7	175.5	-77.9	-69.4	0	0	0	112.9	A424 N425 A428 G436 V438 I454 L455 M462 V489 A492	F422-A424 PolarHBondContact O-N 2.93Å; F422-N425 HydrophobicContact CD1-CB 4.2Å; F422-N425 PolarHBondContact O-N 3.13Å; F422-N425 VanDerWaalsContact O-N 3.08Å; F422-A428 HydrophobicContact CB-CB 4.1Å; F422-A428 HydrophobicContact CD1-CB 4.21Å; F422-A428 VanDerWaalsContact O-CB 3.22Å; F422-A428 WeakPolarHBondContact O-CB 3.36Å; F422-G436 PolarHBondContact N-O 2.93Å; F422-V438 HydrophobicContact CE1-CG2 4.44Å; F422-V438 HydrophobicContact CE2-CG2 4.04Å; F422-V438 HydrophobicContact CZ-CG2 3.66Å; F422-I454 HydrophobicContact CE2-CG2 4.13Å; F422-I454 HydrophobicContact CZ-CG2 4.1Å; F422-L455 VanDerWaalsContact CD2-O 3.29Å; F422-L455 WeakPolarHBondContact CD2-O 3.38Å; F422-L455 VanDerWaalsContact CE2-O 3.28Å; F422-L455 WeakPolarHBondContact CE2-O 3.48Å; F422-M462 HydrophobicContact CE1-CE 4.04Å; F422-M462 HydrophobicContact CZ-CE 3.89Å; F422-M462 HydrophobicContact CZ-SD 4.36Å; F422-V489 HydrophobicContact CE1-CB 4.21Å; F422-A492 HydrophobicContact CD1-CB 3.95Å; F422-A492 HydrophobicContact CE1-CB 3.51Å; F422-A492 HydrophobicContact CZ-CB 4.06Å
423	A	98.5	Very high	98.7	Very high	55 Å²	55	48.8 Å²	48.8	46%	0.455	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-59.9	-19.2	169.4	0	0	0	0	0	115.3	P421 T434	P421-A423 PolarHBondContact O-N 3.21Å; P421-A423 VanDerWaalsContact O-N 3.14Å; A423-T434 PolarHBondContact N-O 3.36Å
424	A	98.6	Very high	98.6	Very high	31 Å²	31	49 Å²	49	26%	0.256	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-102.7	-7.5	174.4	0	0	0	0	0	113.5	F420 P421 F422	F420-A424 HydrophobicContact CE1-CB 3.86Å; F420-A424 HydrophobicContact CE2-CB 4.17Å; F420-A424 HydrophobicContact CZ-CB 3.53Å; P421-A424 HydrophobicContact CG-CB 4.08Å; P421-A424 PolarHBondContact O-N 3.42Å; F422-A424 PolarHBondContact O-N 2.93Å
425	N	98.8	Very high	98.7	Very high	4 Å²	4	49 Å²	49	2%	0.021	27%	0.272	C	S	.	.			trans	-80	130.7	177.3	173.5	-91	0	0	0	111	F420 F422 R427 A428 K429 T488 A492	F420-N425 HydrophobicContact CE1-CB 4.1Å; F422-N425 HydrophobicContact CD1-CB 4.2Å; F422-N425 PolarHBondContact O-N 3.13Å; F422-N425 VanDerWaalsContact O-N 3.08Å; N425-R427 PolarHBondContact O-N 2.7Å; N425-R427 PolarHBondContact OD1-N 2.84Å; N425-R427 VanDerWaalsContact OD1-N 3.09Å; N425-A428 HydrophobicContact CB-CB 3.92Å; N425-A428 PolarHBondContact O-N 3.45Å; N425-A428 WeakPolarHBondContact OD1-CB 3Å; N425-A428 PolarHBondContact OD1-N 2.89Å; N425-K429 WeakPolarHBondContact O-CB 3.48Å; N425-K429 PolarHBondContact O-N 2.86Å; N425-T488 PolarHBondContact ND2-O 3.22Å; N425-T488 PolarHBondContact OD1-O 2.83Å; N425-A492 HydrophobicContact CB-CB 4.38Å
426	S	98.7	Very high	98.6	Very high	49 Å²	49	47.3 Å²	47.3	34%	0.343	27%	0.272	S	S	.	.	H	α-helix	trans	-61.5	-42.3	-174.8	-52.1	0	0	0	0	113.4	K429 T430	S426-K429 PolarHBondContact O-N 2.57Å; S426-T430 PolarHBondContact O-N 2.88Å; S426-T430 PolarHBondContact O-OG1 2.94Å; S426-T430 VanDerWaalsContact O-OG1 3.06Å
427	R	98.8	Very high	98.7	Very high	111 Å²	111	45.6 Å²	45.6	42%	0.419	27%	0.265	S	S	.	.	H	α-helix	trans	-71.2	-43.8	-179.6	-173.3	168.4	-179.4	156	-11.8	112.6	N425 K429 T430 N431 P487 V489	N425-R427 PolarHBondContact O-N 2.7Å; N425-R427 PolarHBondContact OD1-N 2.84Å; N425-R427 VanDerWaalsContact OD1-N 3.09Å; R427-K429 PolarHBondContact O-N 3.14Å; R427-T430 PolarHBondContact O-N 2.84Å; R427-N431 WeakPolarHBondContact O-CB 3.46Å; R427-N431 VanDerWaalsContact O-CG 3.29Å; R427-N431 PolarHBondContact O-N 3.42Å; R427-N431 PolarHBondContact O-OD1 2.96Å; R427-P487 HydrophobicContact CB-CB 4.17Å; R427-P487 WeakPolarHBondContact CD-O 3.24Å; R427-P487 PolarHBondContact NH1-O 3.14Å; R427-V489 HydrophobicContact CB-CG1 4.29Å; R427-V489 HydrophobicContact CG-CG1 4.32Å
428	A	98.7	Very high	98.7	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	25%	0.249	C	C	.	.	H	α-helix	trans	-53.8	-45.5	171.6	0	0	0	0	0	110.7	F422 N425 N431 A432 D433 T434	F422-A428 HydrophobicContact CB-CB 4.1Å; F422-A428 HydrophobicContact CD1-CB 4.21Å; F422-A428 VanDerWaalsContact O-CB 3.22Å; F422-A428 WeakPolarHBondContact O-CB 3.36Å; N425-A428 HydrophobicContact CB-CB 3.92Å; N425-A428 PolarHBondContact O-N 3.45Å; N425-A428 WeakPolarHBondContact OD1-CB 3Å; N425-A428 PolarHBondContact OD1-N 2.89Å; A428-N431 PolarHBondContact O-N 3.01Å; A428-A432 PolarHBondContact O-N 2.83Å; A428-D433 CarbonylContact C-O 3.56Å; A428-D433 VanDerWaalsContact CA-O 3.26Å; A428-D433 WeakPolarHBondContact CA-O 3.36Å; A428-D433 WeakPolarHBondContact CB-O 3.31Å; A428-D433 CarbonylContact O-C 3.48Å; A428-D433 PolarHBondContact O-N 3.47Å; A428-D433 VanDerWaalsContact O-O 3.1Å; A428-T434 HydrophobicContact CB-CG2 4.29Å
429	K	98.5	Very high	98.7	Very high	134 Å²	134	42.9 Å²	42.9	58%	0.583	25%	0.248	S	C	*	.	H	α-helix	trans	-63.8	-45.9	176.5	-162.9	66.7	171.6	-173.5	0	113.1	N425 S426 R427 N431 A432 T434	N425-K429 WeakPolarHBondContact O-CB 3.48Å; N425-K429 PolarHBondContact O-N 2.86Å; S426-K429 PolarHBondContact O-N 2.57Å; R427-K429 PolarHBondContact O-N 3.14Å; K429-N431 VanDerWaalsContact C-N 3.3Å; K429-N431 PolarHBondContact O-N 2.72Å; K429-A432 PolarHBondContact O-N 2.89Å; K429-A432 VanDerWaalsContact O-N 3.1Å; K429-T434 HydrophobicContact CD-CG2 4.1Å
430	T	98.7	Very high	98.7	Very high	113 Å²	113	39.7 Å²	39.7	69%	0.693	23%	0.234	S	C	*	.	H	α-helix	trans	-60.8	-37.5	174.5	-63.8	0	0	0	0	112.3	S426 R427 A432	S426-T430 PolarHBondContact O-N 2.88Å; S426-T430 PolarHBondContact O-OG1 2.94Å; S426-T430 VanDerWaalsContact O-OG1 3.06Å; R427-T430 PolarHBondContact O-N 2.84Å; T430-A432 PolarHBondContact O-N 3.09Å
431	N	98.5	Very high	98.7	Very high	63 Å²	63	39.6 Å²	39.6	34%	0.337	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-8	176.8	-73.7	6.9	0	0	0	113.5	R108 R427 A428 K429 D433	R108-N431 VanDerWaalsContact CZ-O 3.32Å; R108-N431 PolarHBondContact NH1-O 3.2Å; R108-N431 PolarHBondContact NH2-O 3.33Å; R427-N431 WeakPolarHBondContact O-CB 3.46Å; R427-N431 VanDerWaalsContact O-CG 3.29Å; R427-N431 PolarHBondContact O-N 3.42Å; R427-N431 PolarHBondContact O-OD1 2.96Å; A428-N431 PolarHBondContact O-N 3.01Å; K429-N431 VanDerWaalsContact C-N 3.3Å; K429-N431 PolarHBondContact O-N 2.72Å; N431-D433 HydrophobicContact CB-CB 4.1Å; N431-D433 PolarHBondContact O-N 3.18Å
432	A	98.3	Very high	98.7	Very high	67 Å²	67	38.3 Å²	38.3	55%	0.554	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	27.8	-167.8	0	0	0	0	0	113.7	A428 K429 T430	A428-A432 PolarHBondContact O-N 2.83Å; K429-A432 PolarHBondContact O-N 2.89Å; K429-A432 VanDerWaalsContact O-N 3.1Å; T430-A432 PolarHBondContact O-N 3.09Å
433	D	98.3	Very high	98.7	Very high	31 Å²	31	39.7 Å²	39.7	17%	0.166	23%	0.232	C	C	.	.			trans	-129.2	97.1	-173.6	176.3	13.2	0	0	0	108.8	H395 A428 N431 T457	H395-D433 IonicContact CE1-OD1 2.73Å; H395-D433 IonicContact CE1-OD2 2.87Å; H395-D433 PolarHBondContact CE1-OD2 3.37Å; H395-D433 IonicContact NE2-OD1 3.56Å; H395-D433 IonicContact NE2-OD2 2.63Å; A428-D433 CarbonylContact C-O 3.56Å; A428-D433 VanDerWaalsContact CA-O 3.26Å; A428-D433 WeakPolarHBondContact CA-O 3.36Å; A428-D433 WeakPolarHBondContact CB-O 3.31Å; A428-D433 CarbonylContact O-C 3.48Å; A428-D433 PolarHBondContact O-N 3.47Å; A428-D433 VanDerWaalsContact O-O 3.1Å; N431-D433 HydrophobicContact CB-CB 4.1Å; N431-D433 PolarHBondContact O-N 3.18Å; D433-T457 PolarHBondContact OD1-OG1 2.83Å; D433-T457 WeakPolarHBondContact OD2-CB 3.18Å; D433-T457 WeakPolarHBondContact OD2-CG2 3.17Å; D433-T457 PolarHBondContact OD2-OG1 2.99Å
434	T	98.6	Very high	98.7	Very high	45 Å²	45	43.9 Å²	43.9	28%	0.276	24%	0.24	S	C	.	.			trans	-134.3	9	-159.5	53.8	0	0	0	0	114.7	A423 A428 K429	A423-T434 PolarHBondContact N-O 3.36Å; A428-T434 HydrophobicContact CB-CG2 4.29Å; K429-T434 HydrophobicContact CD-CG2 4.1Å
435	D	98.6	Very high	98.7	Very high	53 Å²	53	49.9 Å²	49.9	28%	0.283	26%	0.263	S	S	.	.			trans	-76	131.8	-177.4	-117.7	-22.3	0	0	0	110.6	I263 K266 P396	I263-D435 HydrophobicContact CD1-CB 4.01Å; I263-D435 HydrophobicContact CG1-CB 4.4Å; I263-D435 HydrophobicContact CG2-CB 4.35Å; I263-D435 WeakPolarHBondContact CG2-OD2 3.28Å; K266-D435 IonicContact NZ-OD1 2.75Å; K266-D435 PolarHBondContact NZ-OD1 2.97Å; K266-D435 IonicContact NZ-OD2 3.76Å; K266-D435 PolarHBondContact NZ-OD2 3.3Å; P396-D435 HydrophobicContact CG-CB 4.48Å
436	G	98.6	Very high	98.7	Very high	20 Å²	20	54 Å²	54	21%	0.206	29%	0.288	C	S	.	.			trans	99	-162.4	175.2	0	0	0	0	0	116.6	F422 L455	F422-G436 PolarHBondContact N-O 2.93Å; G436-L455 CarbonylContact C-O 3.58Å; G436-L455 VanDerWaalsContact CA-O 3.25Å; G436-L455 WeakPolarHBondContact CA-O 3.34Å
437	M	98.9	Very high	98.7	Very high	21 Å²	21	52.5 Å²	52.5	10%	0.103	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	161.8	-172.1	67.6	-175	-173.5	0	0	112.7	E255 I256 K419 F420 K439 L455	E255-M437 HydrophobicContact CG-CE 3.99Å; I256-M437 HydrophobicContact CD1-CE 3.66Å; I256-M437 HydrophobicContact CD1-CG 4.28Å; I256-M437 HydrophobicContact CG1-CE 4.29Å; K419-M437 HydrophobicContact CD-SD 4.36Å; F420-M437 CarbonylContact O-C 3.46Å; F420-M437 VanDerWaalsContact O-CA 3.26Å; F420-M437 WeakPolarHBondContact O-CA 3.44Å; F420-M437 WeakPolarHBondContact O-CB 3.38Å; M437-K439 HydrophobicContact CE-CB 4.23Å; M437-K439 HydrophobicContact CE-CD 4.22Å; M437-L455 PolarHBondContact N-O 3.41Å; M437-L455 PolarHBondContact O-N 3.33Å
438	V	98.9	Very high	98.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	141.9	155.9	-175.6	0	0	0	0	109.3	K419 F420 F422 I440 I454 M462 A492 F493 A496	K419-V438 CarbonylContact C-O 3.51Å; K419-V438 VanDerWaalsContact CA-O 3.3Å; K419-V438 WeakPolarHBondContact CA-O 3.45Å; F420-V438 PolarHBondContact N-O 3.02Å; F420-V438 PolarHBondContact O-N 2.97Å; F422-V438 HydrophobicContact CE1-CG2 4.44Å; F422-V438 HydrophobicContact CE2-CG2 4.04Å; F422-V438 HydrophobicContact CZ-CG2 3.66Å; V438-I440 HydrophobicContact CG1-CD1 3.87Å; V438-I440 HydrophobicContact CG1-CG1 4.21Å; V438-I454 HydrophobicContact CG1-CG1 4.17Å; V438-I454 HydrophobicContact CG2-CG1 4.39Å; V438-I454 HydrophobicContact CG2-CG2 4.17Å; V438-M462 HydrophobicContact CG2-SD 3.96Å; V438-A492 HydrophobicContact CG2-CB 3.75Å; V438-F493 HydrophobicContact CG1-CD2 4.18Å; V438-A496 HydrophobicContact CB-CB 3.89Å; V438-A496 HydrophobicContact CG1-CB 3.79Å
439	K	98.9	Very high	98.7	Very high	1 Å²	1	52.7 Å²	52.7	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.4	176.6	171.9	179.8	178	169.6	0	109.5	D253 E255 I256 E405 V417 G418 K419 M437 H453	D253-K439 IonicContact OD1-NZ 2.7Å; D253-K439 PolarHBondContact OD1-NZ 2.87Å; D253-K439 VanDerWaalsContact OD2-CE 3.25Å; D253-K439 WeakPolarHBondContact OD2-CE 3.46Å; D253-K439 IonicContact OD2-NZ 2.68Å; D253-K439 PolarHBondContact OD2-NZ 3.3Å; E255-K439 WeakPolarHBondContact OE2-CE 3.5Å; E255-K439 IonicContact OE2-NZ 2.65Å; E255-K439 PolarHBondContact OE2-NZ 2.86Å; I256-K439 HydrophobicContact CD1-CB 4.33Å; I256-K439 HydrophobicContact CG1-CD 4.26Å; E405-K439 WeakPolarHBondContact OE1-CE 3.48Å; E405-K439 IonicContact OE1-NZ 3.98Å; E405-K439 PolarHBondContact OE1-NZ 3.15Å; V417-K439 HydrophobicContact CG1-CG 4.31Å; G418-K439 WeakPolarHBondContact O-CA 3.48Å; K419-K439 HydrophobicContact CG-CB 4.29Å; K419-K439 HydrophobicContact CG-CG 4.25Å; M437-K439 HydrophobicContact CE-CB 4.23Å; M437-K439 HydrophobicContact CE-CD 4.22Å; K439-H453 HydrophobicContact CB-CB 4.37Å; K439-H453 PolarHBondContact N-O 3.1Å; K439-H453 PolarHBondContact O-N 3.31Å
440	I	98.9	Very high	98.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.3	-178.3	-54.5	-62.8	0	0	0	109.7	V417 G418 V438 M449 A452 C476 F493 A496 A500	V417-I440 WeakPolarHBondContact CA-O 3.43Å; G418-I440 PolarHBondContact N-O 3.43Å; G418-I440 PolarHBondContact O-N 3.16Å; V438-I440 HydrophobicContact CG1-CD1 3.87Å; V438-I440 HydrophobicContact CG1-CG1 4.21Å; I440-M449 HydrophobicContact CG2-CE 4.38Å; I440-M449 HydrophobicContact CG2-CG 4.46Å; I440-A452 HydrophobicContact CD1-CB 3.67Å; I440-C476 WeakPolarHBondContact CG2-SG 3.31Å; I440-F493 HydrophobicContact CD1-CD2 3.74Å; I440-F493 HydrophobicContact CD1-CE2 3.63Å; I440-A496 HydrophobicContact CG1-CB 3.77Å; I440-A500 HydrophobicContact CB-CB 4.31Å; I440-A500 HydrophobicContact CG2-CB 4.22Å
441	L	98.9	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	126.2	173.1	-52.1	-177.8	0	0	0	108.8	K403 E405 L408 Y415 V417 L450 G451	K403-L441 WeakPolarHBondContact O-CD1 3.28Å; E405-L441 HydrophobicContact CB-CD1 4.41Å; E405-L441 HydrophobicContact CG-CD1 3.86Å; E405-L441 HydrophobicContact CG-CD2 3.62Å; E405-L441 HydrophobicContact CG-CG 4.43Å; L408-L441 HydrophobicContact CD1-CB 3.98Å; L408-L441 HydrophobicContact CD1-CD1 3.89Å; Y415-L441 HydrophobicContact CD2-CD2 4.07Å; Y415-L441 HydrophobicContact CE2-CD2 4.09Å; V417-L441 HydrophobicContact CB-CD2 4.38Å; V417-L441 HydrophobicContact CG1-CD2 4Å; V417-L441 HydrophobicContact CG2-CD2 3.79Å; L441-L450 PolarHBondContact O-N 3.12Å; L441-G451 PolarHBondContact N-O 3Å; L441-G451 PolarHBondContact O-N 3.49Å
442	S	98.7	Very high	98.7	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	143.4	-174.1	169.5	0	0	0	0	110.6	Y415 K416 K444 D447 R448	Y415-S442 CarbonylContact C-O 3.5Å; Y415-S442 WeakPolarHBondContact CA-O 3.39Å; Y415-S442 WeakPolarHBondContact CB-O 3.43Å; K416-S442 WeakPolarHBondContact CE-OG 3.01Å; K416-S442 PolarHBondContact N-O 2.91Å; K416-S442 PolarHBondContact O-N 3.12Å; S442-K444 PolarHBondContact O-N 2.8Å; S442-D447 WeakPolarHBondContact OG-CA 3.36Å; S442-D447 PolarHBondContact OG-O 2.86Å; S442-D447 PolarHBondContact OG-OD1 3.05Å; S442-D447 VanDerWaalsContact OG-OD1 3.11Å; S442-R448 CarbonylContact C-O 3.58Å; S442-R448 WeakPolarHBondContact CA-O 3.47Å
443	H	98.8	Very high	98.8	Very high	34 Å²	34	36.2 Å²	36.2	16%	0.157	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	129	176.1	-171.2	-112.4	0	0	0	110.6	P414 E445 T446 D447 R448 L450	P414-H443 PolarHBondContact O-CD2 2.93Å; P414-H443 VanDerWaalsContact O-CD2 3.22Å; H443-E445 IonicContact CE1-OE2 3.61Å; H443-E445 PolarHBondContact O-N 2.86Å; H443-E445 VanDerWaalsContact O-N 3.14Å; H443-T446 PolarHBondContact ND1-OG1 2.96Å; H443-T446 PolarHBondContact O-N 2.84Å; H443-D447 WeakPolarHBondContact O-CA 3.27Å; H443-D447 PolarHBondContact O-N 3.22Å; H443-R448 HydrophobicContact CB-CB 4.45Å; H443-R448 PolarHBondContact N-O 3.44Å; H443-L450 HydrophobicContact CB-CD1 3.92Å; H443-L450 HydrophobicContact CB-CD2 4.2Å; H443-L450 HydrophobicContact CB-CG 4.09Å
444	K	98.6	Very high	98.8	Very high	143 Å²	143	34.7 Å²	34.7	62%	0.622	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-31	-167.6	-172.8	179.6	176.9	-173.1	0	113.7	P414 S442	P414-K444 HydrophobicContact CB-CB 4.1Å; P414-K444 HydrophobicContact CB-CD 4.41Å; P414-K444 WeakPolarHBondContact O-CB 3.34Å; P414-K444 PolarHBondContact O-N 2.69Å; S442-K444 PolarHBondContact O-N 2.8Å
445	E	98.3	Very high	98.8	Very high	156 Å²	156	32.6 Å²	32.6	73%	0.729	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-22.6	-171.9	-58.4	179.3	164	0	0	113.9	H443	H443-E445 IonicContact CE1-OE2 3.61Å; H443-E445 PolarHBondContact O-N 2.86Å; H443-E445 VanDerWaalsContact O-N 3.14Å
446	T	98.7	Very high	98.8	Very high	91 Å²	91	30 Å²	30	56%	0.558	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-125	1.1	-171.5	59.8	0	0	0	0	113.8	H443 R448	H443-T446 PolarHBondContact ND1-OG1 2.96Å; H443-T446 PolarHBondContact O-N 2.84Å; T446-R448 PolarHBondContact O-N 3.34Å
447	D	98.8	Very high	98.5	Very high	18 Å²	18	30.9 Å²	30.9	10%	0.096	15%	0.148	C	C	.	.			trans	57.2	-2.8	-176.7	-158.1	48.1	0	0	0	116.8	K416 S442 H443 M449 S475 C476 E477 S501	K416-D447 WeakPolarHBondContact CE-OD1 3.49Å; K416-D447 IonicContact NZ-OD1 3.98Å; K416-D447 PolarHBondContact NZ-OD1 2.97Å; S442-D447 WeakPolarHBondContact OG-CA 3.36Å; S442-D447 PolarHBondContact OG-O 2.86Å; S442-D447 PolarHBondContact OG-OD1 3.05Å; S442-D447 VanDerWaalsContact OG-OD1 3.11Å; H443-D447 WeakPolarHBondContact O-CA 3.27Å; H443-D447 PolarHBondContact O-N 3.22Å; D447-M449 PolarHBondContact O-N 3.33Å; D447-S475 WeakPolarHBondContact O-CA 3.26Å; D447-C476 PolarHBondContact O-N 2.78Å; D447-C476 PolarHBondContact OD2-N 3.08Å; D447-E477 WeakPolarHBondContact OD2-CB 3.31Å; D447-E477 PolarHBondContact OD2-N 3.33Å; D447-S501 WeakPolarHBondContact OD1-CA 3.43Å; D447-S501 PolarHBondContact OD1-OG 2.83Å; D447-S501 WeakPolarHBondContact OD2-CB 3.48Å; D447-S501 PolarHBondContact OD2-OG 3.25Å
448	R	98.8	Very high	98.4	Very high	114 Å²	114	30.8 Å²	30.8	43%	0.43	15%	0.152	S	C	.	.	B	Isolated β-bridge	trans	-52.4	132.1	178.3	-177.8	173.1	-176.1	-158.2	0.9	111.6	S442 H443 T446 L450 A474	S442-R448 CarbonylContact C-O 3.58Å; S442-R448 WeakPolarHBondContact CA-O 3.47Å; H443-R448 HydrophobicContact CB-CB 4.45Å; H443-R448 PolarHBondContact N-O 3.44Å; T446-R448 PolarHBondContact O-N 3.34Å; R448-L450 PolarHBondContact O-N 3.23Å; R448-A474 WeakPolarHBondContact CA-O 3.47Å
449	M	98.8	Very high	98.4	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	125.1	172.5	-172.1	177.7	-62.2	0	0	110.7	I440 D447 A452 A469 M470 A474 V479 F493 N497	I440-M449 HydrophobicContact CG2-CE 4.38Å; I440-M449 HydrophobicContact CG2-CG 4.46Å; D447-M449 PolarHBondContact O-N 3.33Å; M449-A452 HydrophobicContact SD-CB 4.08Å; M449-A469 HydrophobicContact CE-CB 4.33Å; M449-A469 HydrophobicContact SD-CB 4.45Å; M449-M470 HydrophobicContact CB-CG 4.37Å; M449-M470 HydrophobicContact CG-CG 3.95Å; M449-M470 HydrophobicContact CG-SD 4.35Å; M449-M470 HydrophobicContact SD-CG 3.75Å; M449-M470 HydrophobicContact SD-SD 4.42Å; M449-A474 PolarHBondContact N-O 2.89Å; M449-V479 HydrophobicContact CE-CG2 4Å; M449-F493 HydrophobicContact CE-CE2 4.11Å; M449-F493 HydrophobicContact CE-CZ 3.88Å; M449-N497 WeakPolarHBondContact CE-OD1 3.38Å
450	L	98.9	Very high	98.4	Very high	30 Å²	30	31 Å²	31	16%	0.157	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	-24	178.2	-62.8	179.3	0	0	0	112.5	K403 L408 V413 L441 H443 R448 M470	K403-L450 PolarHBondContact N-O 3.39Å; L408-L450 HydrophobicContact CD1-CB 4.01Å; L408-L450 HydrophobicContact CD1-CD1 3.84Å; L408-L450 HydrophobicContact CD2-CB 4.35Å; L408-L450 HydrophobicContact CD2-CD1 4.02Å; V413-L450 HydrophobicContact CG1-CD1 3.8Å; L441-L450 PolarHBondContact O-N 3.12Å; H443-L450 HydrophobicContact CB-CD1 3.92Å; H443-L450 HydrophobicContact CB-CD2 4.2Å; H443-L450 HydrophobicContact CB-CG 4.09Å; R448-L450 PolarHBondContact O-N 3.23Å; L450-M470 WeakPolarHBondContact O-CE 3.42Å
451	G	98.9	Very high	98.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.4	150.7	172.8	0	0	0	0	0	112.3	V401 L441	V401-G451 CarbonylContact O-C 3.47Å; V401-G451 VanDerWaalsContact O-CA 3.24Å; V401-G451 WeakPolarHBondContact O-CA 3.5Å; L441-G451 PolarHBondContact N-O 3Å; L441-G451 PolarHBondContact O-N 3.49Å
452	A	98.9	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	132.3	178.4	0	0	0	0	0	109.6	W400 V401 I440 M449 A466 F493	W400-A452 CarbonylContact C-O 3.54Å; W400-A452 WeakPolarHBondContact CA-O 3.26Å; W400-A452 WeakPolarHBondContact CB-O 3.31Å; V401-A452 HydrophobicContact CG1-CB 4.26Å; V401-A452 PolarHBondContact N-O 2.89Å; V401-A452 PolarHBondContact O-N 3.27Å; I440-A452 HydrophobicContact CD1-CB 3.67Å; M449-A452 HydrophobicContact SD-CB 4.08Å; A452-A466 HydrophobicContact CB-CB 3.62Å; A452-F493 HydrophobicContact CB-CE2 4.16Å
453	H	98.9	Very high	98.4	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	124.1	-173.3	-52.7	-95.7	0	0	0	109.5	I256 W400 K403 K439	I256-H453 HydrophobicContact CD1-CB 4.24Å; I256-H453 HydrophobicContact CG1-CB 3.86Å; W400-H453 HydrophobicContact CB-CB 4.33Å; W400-H453 WeakPolarHBondContact CB-ND1 3.33Å; K403-H453 PolarHBondContact O-CE1 3.09Å; K403-H453 PolarHBondContact O-NE2 3.45Å; K439-H453 HydrophobicContact CB-CB 4.37Å; K439-H453 PolarHBondContact N-O 3.1Å; K439-H453 PolarHBondContact O-N 3.31Å
454	I	98.9	Very high	98.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.1	-169	-53.4	161.6	0	0	0	108.2	V398 A399 F422 V438 A459 M462 V463	V398-I454 CarbonylContact C-O 3.59Å; V398-I454 WeakPolarHBondContact CA-O 3.37Å; A399-I454 PolarHBondContact N-O 3.01Å; A399-I454 PolarHBondContact O-N 3Å; F422-I454 HydrophobicContact CE2-CG2 4.13Å; F422-I454 HydrophobicContact CZ-CG2 4.1Å; V438-I454 HydrophobicContact CG1-CG1 4.17Å; V438-I454 HydrophobicContact CG2-CG1 4.39Å; V438-I454 HydrophobicContact CG2-CG2 4.17Å; I454-A459 HydrophobicContact CB-CB 3.96Å; I454-A459 HydrophobicContact CG2-CB 3.49Å; I454-A459 VanDerWaalsContact CG2-CB 3.49Å; I454-M462 HydrophobicContact CD1-CB 3.95Å; I454-M462 HydrophobicContact CD1-CG 3.79Å; I454-M462 HydrophobicContact CD1-SD 3.93Å; I454-M462 HydrophobicContact CG1-SD 4.37Å; I454-M462 HydrophobicContact CG2-SD 4.08Å; I454-V463 HydrophobicContact CD1-CB 4.26Å
455	L	98.9	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	110.5	172.7	166.3	62.7	0	0	0	107	I256 N259 F260 I263 P396 E397 V398 F422 G436 M437	I256-L455 HydrophobicContact CD1-CB 3.97Å; I256-L455 HydrophobicContact CG2-CB 4.27Å; N259-L455 HydrophobicContact CB-CD2 3.56Å; F260-L455 HydrophobicContact CB-CD1 3.94Å; F260-L455 HydrophobicContact CB-CD2 4.24Å; F260-L455 HydrophobicContact CD2-CD1 3.96Å; F260-L455 HydrophobicContact CG-CD1 4.31Å; I263-L455 HydrophobicContact CD1-CD1 4.34Å; I263-L455 HydrophobicContact CD1-CD2 4.06Å; I263-L455 HydrophobicContact CD1-CG 4.32Å; P396-L455 HydrophobicContact CB-CD1 4.38Å; P396-L455 HydrophobicContact CG-CD1 4.01Å; E397-L455 WeakPolarHBondContact O-CA 3.18Å; V398-L455 HydrophobicContact CG2-CD1 3.91Å; F422-L455 VanDerWaalsContact CD2-O 3.29Å; F422-L455 WeakPolarHBondContact CD2-O 3.38Å; F422-L455 VanDerWaalsContact CE2-O 3.28Å; F422-L455 WeakPolarHBondContact CE2-O 3.48Å; G436-L455 CarbonylContact C-O 3.58Å; G436-L455 VanDerWaalsContact CA-O 3.25Å; G436-L455 WeakPolarHBondContact CA-O 3.34Å; M437-L455 PolarHBondContact N-O 3.41Å; M437-L455 PolarHBondContact O-N 3.33Å
456	G	98.6	Very high	98.4	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158	-168.6	-173	0	0	0	0	0	112.3	E397	E397-G456 WeakPolarHBondContact CB-O 3.2Å; E397-G456 PolarHBondContact N-O 3.45Å; E397-G456 PolarHBondContact O-N 3.22Å
457	T	93.1	Very high	98.4	Very high	38 Å²	38	26 Å²	26	23%	0.233	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	130.7	-177.6	-73.6	0	0	0	0	112.3	H395 D433	H395-T457 PolarHBondContact CE1-OG1 2.9Å; H395-T457 VanDerWaalsContact CE1-OG1 3.3Å; D433-T457 PolarHBondContact OD1-OG1 2.83Å; D433-T457 WeakPolarHBondContact OD2-CB 3.18Å; D433-T457 WeakPolarHBondContact OD2-CG2 3.17Å; D433-T457 PolarHBondContact OD2-OG1 2.99Å
458	G	96.3	Very high	98.4	Very high	19 Å²	19	30.2 Å²	30.2	20%	0.196	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	18.7	-173.7	0	0	0	0	0	113.3	E397 G460 E461 M462	E397-G458 VanDerWaalsContact OE2-C 3.28Å; E397-G458 VanDerWaalsContact OE2-CA 3.3Å; E397-G458 WeakPolarHBondContact OE2-CA 3.44Å; E397-G458 PolarHBondContact OE2-N 3.48Å; G458-G460 VanDerWaalsContact C-N 3.29Å; G458-G460 PolarHBondContact O-N 2.84Å; G458-E461 PolarHBondContact O-N 3.02Å; G458-M462 WeakPolarHBondContact O-CB 3.4Å; G458-M462 PolarHBondContact O-N 3.47Å
459	A	98.8	Very high	98.4	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.7	-39.6	176.4	0	0	0	0	0	111.4	E397 A399 I454 E461 M462 V463	E397-A459 HydrophobicContact CB-CB 3.73Å; E397-A459 PolarHBondContact OE2-N 2.94Å; A399-A459 VanDerWaalsContact CB-C 3.5Å; A399-A459 HydrophobicContact CB-CB 3.81Å; A399-A459 WeakPolarHBondContact CB-O 3.41Å; I454-A459 HydrophobicContact CB-CB 3.96Å; I454-A459 HydrophobicContact CG2-CB 3.49Å; I454-A459 VanDerWaalsContact CG2-CB 3.49Å; A459-E461 PolarHBondContact O-N 3.06Å; A459-M462 PolarHBondContact O-N 3.5Å; A459-V463 PolarHBondContact O-N 3.4Å
460	G	98.6	Very high	98.4	Very high	5 Å²	5	25.4 Å²	25.4	5%	0.052	14%	0.139	C	C	.	.	H	α-helix	trans	-64.9	-25.3	179.9	0	0	0	0	0	114.1	E397 G458 N464	E397-G460 PolarHBondContact OE2-N 3.07Å; G458-G460 VanDerWaalsContact C-N 3.29Å; G458-G460 PolarHBondContact O-N 2.84Å; G460-N464 PolarHBondContact O-ND2 2.81Å
461	E	98.8	Very high	98.4	Very high	148 Å²	148	29.2 Å²	29.2	69%	0.692	16%	0.155	S	C	*	.	H	α-helix	trans	-88.3	-45.4	173.2	-62.7	-59.9	138.8	0	0	111.2	G458 A459 V463 N464	G458-E461 PolarHBondContact O-N 3.02Å; A459-E461 PolarHBondContact O-N 3.06Å; E461-V463 VanDerWaalsContact C-N 3.31Å; E461-V463 PolarHBondContact O-N 3.32Å; E461-N464 WeakPolarHBondContact O-CB 3.44Å; E461-N464 PolarHBondContact O-N 3.46Å; E461-N464 PolarHBondContact O-ND2 2.83Å
462	M	98.8	Very high	98.4	Very high	10 Å²	10	38.8 Å²	38.8	5%	0.049	19%	0.193	C	C	.	.	H	α-helix	trans	-65.7	-28.7	-175.6	-172.8	-173	-51.8	0	0	113.4	F422 V438 I454 G458 A459 N464 E465 A466 V489 F493	F422-M462 HydrophobicContact CE1-CE 4.04Å; F422-M462 HydrophobicContact CZ-CE 3.89Å; F422-M462 HydrophobicContact CZ-SD 4.36Å; V438-M462 HydrophobicContact CG2-SD 3.96Å; I454-M462 HydrophobicContact CD1-CB 3.95Å; I454-M462 HydrophobicContact CD1-CG 3.79Å; I454-M462 HydrophobicContact CD1-SD 3.93Å; I454-M462 HydrophobicContact CG1-SD 4.37Å; I454-M462 HydrophobicContact CG2-SD 4.08Å; G458-M462 WeakPolarHBondContact O-CB 3.4Å; G458-M462 PolarHBondContact O-N 3.47Å; A459-M462 PolarHBondContact O-N 3.5Å; M462-N464 PolarHBondContact O-N 3.49Å; M462-E465 WeakPolarHBondContact O-CB 3.36Å; M462-E465 PolarHBondContact O-N 2.92Å; M462-A466 PolarHBondContact O-N 3.15Å; M462-V489 HydrophobicContact CE-CB 3.85Å; M462-V489 HydrophobicContact CE-CG2 3.76Å; M462-V489 WeakPolarHBondContact CE-O 3.36Å; M462-F493 HydrophobicContact CG-CB 4.17Å; M462-F493 HydrophobicContact SD-CB 3.82Å
463	V	98.9	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-22.9	176.4	74.5	0	0	0	0	113.1	P389 V391 A399 V401 I454 A459 E461 E465 A466 A467	P389-V463 HydrophobicContact CB-CG1 3.94Å; P389-V463 HydrophobicContact CB-CG2 3.82Å; V391-V463 HydrophobicContact CG2-CG1 4.02Å; A399-V463 HydrophobicContact CB-CB 3.68Å; A399-V463 HydrophobicContact CB-CG1 3.91Å; A399-V463 HydrophobicContact CB-CG2 4.08Å; V401-V463 HydrophobicContact CB-CG2 4.07Å; V401-V463 HydrophobicContact CG1-CG2 3.99Å; I454-V463 HydrophobicContact CD1-CB 4.26Å; A459-V463 PolarHBondContact O-N 3.4Å; E461-V463 VanDerWaalsContact C-N 3.31Å; E461-V463 PolarHBondContact O-N 3.32Å; V463-E465 VanDerWaalsContact C-N 3.35Å; V463-A466 WeakPolarHBondContact O-CB 3.43Å; V463-A466 PolarHBondContact O-N 3.1Å; V463-A467 PolarHBondContact O-N 2.75Å
464	N	98.9	Very high	98.4	Very high	82 Å²	82	40.8 Å²	40.8	44%	0.439	21%	0.212	S	C	.	.	H	α-helix	trans	-73.1	-29.7	179.1	-53.8	-70.4	0	0	0	111.8	G460 E461 M462 A467 L468	G460-N464 PolarHBondContact O-ND2 2.81Å; E461-N464 WeakPolarHBondContact O-CB 3.44Å; E461-N464 PolarHBondContact O-N 3.46Å; E461-N464 PolarHBondContact O-ND2 2.83Å; M462-N464 PolarHBondContact O-N 3.49Å; N464-A467 PolarHBondContact O-N 3.48Å; N464-L468 PolarHBondContact O-N 3.34Å
465	E	98.9	Very high	98.4	Very high	65 Å²	65	41.7 Å²	41.7	30%	0.304	22%	0.219	S	C	.	.	H	α-helix	trans	-66.3	-40.7	169.5	-169.2	178.5	175.4	0	0	110.7	M462 V463 L468 A469 H484 F493	M462-E465 WeakPolarHBondContact O-CB 3.36Å; M462-E465 PolarHBondContact O-N 2.92Å; V463-E465 VanDerWaalsContact C-N 3.35Å; E465-L468 PolarHBondContact O-N 2.85Å; E465-A469 WeakPolarHBondContact O-CB 3.32Å; E465-A469 PolarHBondContact O-N 2.93Å; E465-H484 IonicContact OE1-CD2 2.64Å; E465-H484 IonicContact OE1-CE1 2.69Å; E465-H484 IonicContact OE1-NE2 2.81Å; E465-H484 PolarHBondContact OE1-NE2 2.93Å; E465-F493 HydrophobicContact CB-CE1 4.33Å; E465-F493 HydrophobicContact CG-CD1 4.32Å; E465-F493 HydrophobicContact CG-CE1 3.87Å
466	A	98.9	Very high	98.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-67	-38.7	174.7	0	0	0	0	0	113.1	V401 A452 M462 V463 A469 M470 F493	V401-A466 HydrophobicContact CG1-CB 3.69Å; A452-A466 HydrophobicContact CB-CB 3.62Å; M462-A466 PolarHBondContact O-N 3.15Å; V463-A466 WeakPolarHBondContact O-CB 3.43Å; V463-A466 PolarHBondContact O-N 3.1Å; A466-A469 PolarHBondContact O-N 2.82Å; A466-M470 WeakPolarHBondContact O-CG 3.36Å; A466-M470 PolarHBondContact O-N 3.37Å; A466-F493 HydrophobicContact CB-CE2 3.66Å; A466-F493 HydrophobicContact CB-CZ 3.7Å
467	A	98.9	Very high	98.4	Very high	13 Å²	13	45 Å²	45	11%	0.107	23%	0.234	C	C	.	.	H	α-helix	trans	-62.3	-46.8	174.8	0	0	0	0	0	110.9	V401 V463 N464 A469 M470 E471	V401-A467 HydrophobicContact CG2-CB 4.29Å; V463-A467 PolarHBondContact O-N 2.75Å; N464-A467 PolarHBondContact O-N 3.48Å; A467-A469 VanDerWaalsContact C-N 3.33Å; A467-A469 PolarHBondContact O-N 2.92Å; A467-M470 PolarHBondContact O-N 2.88Å; A467-M470 VanDerWaalsContact O-N 3.17Å; A467-E471 WeakPolarHBondContact O-CG 3.36Å; A467-E471 PolarHBondContact O-N 2.83Å
468	L	98.9	Very high	98.7	Very high	107 Å²	107	47.3 Å²	47.3	56%	0.56	25%	0.245	S	C	*	.	H	α-helix	trans	-58.8	-42.2	174.5	178	62.3	0	0	0	112.4	N464 E465 Y472	N464-L468 PolarHBondContact O-N 3.34Å; E465-L468 PolarHBondContact O-N 2.85Å; L468-Y472 HydrophobicContact CD1-CD2 3.94Å; L468-Y472 HydrophobicContact CD1-CE2 4.09Å; L468-Y472 PolarHBondContact O-N 3.07Å; L468-Y472 VanDerWaalsContact O-N 3.11Å
469	A	98.8	Very high	98.8	Very high	12 Å²	12	46.8 Å²	46.8	10%	0.099	24%	0.238	C	C	.	.	H	α-helix	trans	-63.5	-40.3	175.8	0	0	0	0	0	112.1	M449 E465 A466 A467 G473 A474 V479	M449-A469 HydrophobicContact CE-CB 4.33Å; M449-A469 HydrophobicContact SD-CB 4.45Å; E465-A469 WeakPolarHBondContact O-CB 3.32Å; E465-A469 PolarHBondContact O-N 2.93Å; A466-A469 PolarHBondContact O-N 2.82Å; A467-A469 VanDerWaalsContact C-N 3.33Å; A467-A469 PolarHBondContact O-N 2.92Å; A469-G473 PolarHBondContact O-N 3.19Å; A469-A474 HydrophobicContact CB-CB 4.24Å; A469-A474 VanDerWaalsContact O-CB 3.26Å; A469-A474 WeakPolarHBondContact O-CB 3.41Å; A469-A474 PolarHBondContact O-N 2.96Å; A469-V479 HydrophobicContact CB-CG2 4.02Å
470	M	98.6	Very high	98.8	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.02	24%	0.239	C	C	.	.	H	α-helix	trans	-71	-39	178.4	-73.9	-163	64.1	0	0	113.4	N386 V401 M449 L450 A466 A467 G473	N386-M470 VanDerWaalsContact ND2-CE 3.33Å; N386-M470 WeakPolarHBondContact ND2-CE 3.46Å; V401-M470 HydrophobicContact CG1-SD 4.03Å; V401-M470 HydrophobicContact CG2-SD 4.23Å; M449-M470 HydrophobicContact CB-CG 4.37Å; M449-M470 HydrophobicContact CG-CG 3.95Å; M449-M470 HydrophobicContact CG-SD 4.35Å; M449-M470 HydrophobicContact SD-CG 3.75Å; M449-M470 HydrophobicContact SD-SD 4.42Å; L450-M470 WeakPolarHBondContact O-CE 3.42Å; A466-M470 WeakPolarHBondContact O-CG 3.36Å; A466-M470 PolarHBondContact O-N 3.37Å; A467-M470 PolarHBondContact O-N 2.88Å; A467-M470 VanDerWaalsContact O-N 3.17Å; M470-G473 WeakPolarHBondContact O-CA 3.48Å; M470-G473 PolarHBondContact O-N 3.35Å
471	E	98.6	Very high	98.8	Very high	109 Å²	109	54.6 Å²	54.6	51%	0.509	27%	0.266	S	S	.	.	H	α-helix	trans	-60.9	-42.8	173.1	-74.3	-71	-178	0	0	111.8	C387 A467 G473	C387-E471 HydrophobicContact CB-CG 3.9Å; C387-E471 WeakPolarHBondContact CB-OE1 2.96Å; A467-E471 WeakPolarHBondContact O-CG 3.36Å; A467-E471 PolarHBondContact O-N 2.83Å; E471-G473 PolarHBondContact O-N 2.81Å
472	Y	98.6	Very high	98.8	Very high	201 Å²	201	51 Å²	51	79%	0.788	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.6	171.3	-95.6	-93.8	0	0	0	114	L468 A474	L468-Y472 HydrophobicContact CD1-CD2 3.94Å; L468-Y472 HydrophobicContact CD1-CE2 4.09Å; L468-Y472 PolarHBondContact O-N 3.07Å; L468-Y472 VanDerWaalsContact O-N 3.11Å; Y472-A474 VanDerWaalsContact C-N 3.27Å; Y472-A474 PolarHBondContact O-N 3.4Å
473	G	98.6	Very high	98.8	Very high	27 Å²	27	56.1 Å²	56.1	28%	0.278	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	24.1	-177.5	0	0	0	0	0	114.4	A469 M470 E471	A469-G473 PolarHBondContact O-N 3.19Å; M470-G473 WeakPolarHBondContact O-CA 3.48Å; M470-G473 PolarHBondContact O-N 3.35Å; E471-G473 PolarHBondContact O-N 2.81Å
474	A	98.8	Very high	98.8	Very high	16 Å²	16	57 Å²	57	13%	0.132	29%	0.294	C	S	.	.			trans	-60.6	155.8	-170.3	0	0	0	0	0	114.3	R448 M449 A469 Y472 D478	R448-A474 WeakPolarHBondContact CA-O 3.47Å; M449-A474 PolarHBondContact N-O 2.89Å; A469-A474 HydrophobicContact CB-CB 4.24Å; A469-A474 VanDerWaalsContact O-CB 3.26Å; A469-A474 WeakPolarHBondContact O-CB 3.41Å; A469-A474 PolarHBondContact O-N 2.96Å; Y472-A474 VanDerWaalsContact C-N 3.27Å; Y472-A474 PolarHBondContact O-N 3.4Å; A474-D478 HydrophobicContact CB-CB 4.33Å
475	S	98.9	Very high	98.8	Very high	19 Å²	19	56.2 Å²	56.2	13%	0.133	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-82.7	165	167.4	70.2	0	0	0	0	112.1	D447 E477 D478	D447-S475 WeakPolarHBondContact O-CA 3.26Å; S475-E477 VanDerWaalsContact C-N 3.28Å; S475-E477 PolarHBondContact OG-N 2.87Å; S475-D478 WeakPolarHBondContact CB-OD2 3.36Å; S475-D478 PolarHBondContact N-OD2 3.25Å; S475-D478 PolarHBondContact O-N 3.46Å; S475-D478 PolarHBondContact OG-N 3.07Å; S475-D478 PolarHBondContact OG-OD2 3.23Å
476	C	98.8	Very high	98.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-69.8	-27.5	169.2	-69.3	0	0	0	0	112.2	I440 D447 A480 N497 A500	I440-C476 WeakPolarHBondContact CG2-SG 3.31Å; D447-C476 PolarHBondContact O-N 2.78Å; D447-C476 PolarHBondContact OD2-N 3.08Å; C476-A480 VanDerWaalsContact O-CB 3.25Å; C476-A480 WeakPolarHBondContact O-CB 3.46Å; C476-A480 PolarHBondContact O-N 3.01Å; C476-N497 WeakPolarHBondContact CA-OD1 3.39Å; C476-N497 HydrophobicContact CB-CB 4.26Å; C476-N497 PolarHBondContact SG-OD1 2.98Å; C476-A500 HydrophobicContact CB-CB 4.12Å
477	E	98.9	Very high	98.7	Very high	70 Å²	70	62.3 Å²	62.3	33%	0.327	33%	0.333	S	S	.	.	H	α-helix	trans	-61.3	-44.5	171.2	-178.9	161.4	-163.2	0	0	111.7	D447 S475 V479 A480 R481 S501 F502	D447-E477 WeakPolarHBondContact OD2-CB 3.31Å; D447-E477 PolarHBondContact OD2-N 3.33Å; S475-E477 VanDerWaalsContact C-N 3.28Å; S475-E477 PolarHBondContact OG-N 2.87Å; E477-V479 PolarHBondContact O-N 2.93Å; E477-A480 PolarHBondContact O-N 2.98Å; E477-R481 HydrophobicContact CG-CG 4.35Å; E477-R481 VanDerWaalsContact CG-NE 3.34Å; E477-R481 WeakPolarHBondContact O-CB 3.42Å; E477-R481 VanDerWaalsContact O-CG 3.25Å; E477-R481 WeakPolarHBondContact O-CG 3.32Å; E477-R481 PolarHBondContact O-N 2.78Å; E477-R481 IonicContact OE1-CZ 3.32Å; E477-R481 IonicContact OE1-NE 3.45Å; E477-R481 PolarHBondContact OE1-NE 3.19Å; E477-R481 IonicContact OE1-NH2 3.99Å; E477-R481 PolarHBondContact OE1-NH2 2.97Å; E477-S501 WeakPolarHBondContact CB-OG 3.33Å; E477-S501 PolarHBondContact N-OG 3.19Å; E477-F502 HydrophobicContact CB-CE2 4.45Å; E477-F502 HydrophobicContact CG-CE2 4.16Å; E477-F502 HydrophobicContact CG-CZ 3.9Å
478	D	98.9	Very high	98.7	Very high	86 Å²	86	62.8 Å²	62.8	46%	0.46	34%	0.335	S	S	.	.	H	α-helix	trans	-55.5	-54.4	177.6	-64.7	-55.9	0	0	0	110.7	A474 S475 A480 R481 V482	A474-D478 HydrophobicContact CB-CB 4.33Å; S475-D478 WeakPolarHBondContact CB-OD2 3.36Å; S475-D478 PolarHBondContact N-OD2 3.25Å; S475-D478 PolarHBondContact O-N 3.46Å; S475-D478 PolarHBondContact OG-N 3.07Å; S475-D478 PolarHBondContact OG-OD2 3.23Å; D478-A480 PolarHBondContact O-N 3.29Å; D478-R481 PolarHBondContact O-N 3.48Å; D478-R481 VanDerWaalsContact O-N 3.12Å; D478-V482 PolarHBondContact O-N 3.35Å; D478-V482 VanDerWaalsContact O-N 3.09Å
479	V	98.8	Very high	98.7	Very high	8 Å²	8	59.1 Å²	59.1	5%	0.048	32%	0.317	C	S	.	.	H	α-helix	trans	-64	-40.2	-178.8	179.4	0	0	0	0	111.8	M449 A469 E477 R481 V482 H484 F493 N497	M449-V479 HydrophobicContact CE-CG2 4Å; A469-V479 HydrophobicContact CB-CG2 4.02Å; E477-V479 PolarHBondContact O-N 2.93Å; V479-R481 PolarHBondContact O-N 2.95Å; V479-V482 PolarHBondContact O-N 3.5Å; V479-H484 PolarHBondContact O-CE1 3.46Å; V479-F493 HydrophobicContact CG1-CD1 3.76Å; V479-F493 HydrophobicContact CG1-CE1 3.35Å; V479-F493 HydrophobicContact CG1-CZ 3.93Å; V479-N497 HydrophobicContact CB-CB 4.02Å; V479-N497 HydrophobicContact CG1-CB 3.97Å; V479-N497 WeakPolarHBondContact CG1-ND2 3.35Å
480	A	98.8	Very high	98.7	Very high	2 Å²	2	59.8 Å²	59.8	2%	0.017	32%	0.32	C	S	.	.	H	α-helix	trans	-63.1	-30.4	176.3	0	0	0	0	0	112.8	C476 E477 D478 R494 N497 L498	C476-A480 VanDerWaalsContact O-CB 3.25Å; C476-A480 WeakPolarHBondContact O-CB 3.46Å; C476-A480 PolarHBondContact O-N 3.01Å; E477-A480 PolarHBondContact O-N 2.98Å; D478-A480 PolarHBondContact O-N 3.29Å; A480-R494 PolarHBondContact O-NE 2.66Å; A480-R494 PolarHBondContact O-NH2 2.82Å; A480-N497 HydrophobicContact CB-CB 4.44Å; A480-L498 HydrophobicContact CB-CB 3.9Å; A480-L498 HydrophobicContact CB-CD1 3.77Å; A480-L498 HydrophobicContact CB-CG 4.47Å
481	R	98.8	Very high	98.7	Very high	167 Å²	167	60.8 Å²	60.8	63%	0.63	33%	0.325	S	S	*	.	H	α-helix	trans	-82.9	-19.5	177.7	-71.5	178.5	179.4	-70.6	-0.4	113.9	E477 D478 V479 C483	E477-R481 HydrophobicContact CG-CG 4.35Å; E477-R481 VanDerWaalsContact CG-NE 3.34Å; E477-R481 WeakPolarHBondContact O-CB 3.42Å; E477-R481 VanDerWaalsContact O-CG 3.25Å; E477-R481 WeakPolarHBondContact O-CG 3.32Å; E477-R481 PolarHBondContact O-N 2.78Å; E477-R481 IonicContact OE1-CZ 3.32Å; E477-R481 IonicContact OE1-NE 3.45Å; E477-R481 PolarHBondContact OE1-NE 3.19Å; E477-R481 IonicContact OE1-NH2 3.99Å; E477-R481 PolarHBondContact OE1-NH2 2.97Å; D478-R481 PolarHBondContact O-N 3.48Å; D478-R481 VanDerWaalsContact O-N 3.12Å; V479-R481 PolarHBondContact O-N 2.95Å; R481-C483 PolarHBondContact O-N 2.82Å
482	V	98.9	Very high	98.7	Very high	74 Å²	74	55.6 Å²	55.6	45%	0.448	30%	0.301	S	S	.	.	S	Bend	trans	-60	127.1	171.5	173.7	0	0	0	0	110	D478 V479 H484 R494	D478-V482 PolarHBondContact O-N 3.35Å; D478-V482 VanDerWaalsContact O-N 3.09Å; V479-V482 PolarHBondContact O-N 3.5Å; V482-H484 VanDerWaalsContact C-N 3.29Å; V482-H484 PolarHBondContact O-N 3.21Å; V482-H484 PolarHBondContact O-ND1 2.93Å; V482-R494 PolarHBondContact O-NE 2.75Å
483	C	98.8	Very high	98.7	Very high	117 Å²	117	46 Å²	46	79%	0.791	26%	0.263	S	S	*	.			trans	-76	78.5	178.7	-169.4	0	0	0	0	111.1	R481	R481-C483 PolarHBondContact O-N 2.82Å
484	H	98.8	Very high	98.7	Very high	17 Å²	17	48.6 Å²	48.6	8%	0.079	27%	0.265	C	S	.	.			trans	-59.5	138.7	173.1	-66.4	55.8	0	0	0	110.2	E465 V479 V482 S490 E491 F493	E465-H484 IonicContact OE1-CD2 2.64Å; E465-H484 IonicContact OE1-CE1 2.69Å; E465-H484 IonicContact OE1-NE2 2.81Å; E465-H484 PolarHBondContact OE1-NE2 2.93Å; V479-H484 PolarHBondContact O-CE1 3.46Å; V482-H484 VanDerWaalsContact C-N 3.29Å; V482-H484 PolarHBondContact O-N 3.21Å; V482-H484 PolarHBondContact O-ND1 2.93Å; H484-S490 PolarHBondContact CD2-O 3.48Å; H484-E491 HydrophobicContact CB-CG 4.28Å; H484-F493 AromaticContact NE2-CD1 3.81Å
485	A	98.7	Very high	98.7	Very high	67 Å²	67	48.5 Å²	48.5	55%	0.554	26%	0.261	S	S	*	.			trans	-69.3	147.4	-179	0	0	0	0	0	111.8	T488	A485-T488 HydrophobicContact CB-CG2 4.02Å; A485-T488 WeakPolarHBondContact O-CB 3.3Å; A485-T488 WeakPolarHBondContact O-CG2 3.47Å; A485-T488 PolarHBondContact O-N 2.89Å; A485-T488 PolarHBondContact O-OG1 2.83Å
486	H	98.5	Very high	98.7	Very high	130 Å²	130	47.6 Å²	47.6	60%	0.602	26%	0.255	S	S	*	.	S	Bend	trans	-118.1	135.8	-179.4	-176.9	85.3	0	0	0	111.6	E491	H486-E491 IonicContact CE1-OE2 2.73Å; H486-E491 IonicContact CG-OE1 2.69Å; H486-E491 IonicContact CG-OE2 3.45Å; H486-E491 VanDerWaalsContact ND1-CD 3.32Å; H486-E491 IonicContact ND1-OE1 2.67Å; H486-E491 PolarHBondContact ND1-OE1 3.3Å; H486-E491 VanDerWaalsContact ND1-OE1 3.17Å; H486-E491 IonicContact ND1-OE2 3.12Å; H486-E491 PolarHBondContact ND1-OE2 2.95Å
487	P	97.8	Very high	98.7	Very high	62 Å²	62	47.6 Å²	47.6	40%	0.403	26%	0.255	S	S	.	.	S	Bend	cis	-84.3	130.7	-9	33.3	-33.2	0	0	0	112	R427 E491	R427-P487 HydrophobicContact CB-CB 4.17Å; R427-P487 WeakPolarHBondContact CD-O 3.24Å; R427-P487 PolarHBondContact NH1-O 3.14Å; P487-E491 VanDerWaalsContact CA-OE1 3.3Å; P487-E491 WeakPolarHBondContact CA-OE1 3.37Å
488	T	98.8	Very high	98.7	Very high	24 Å²	24	45.9 Å²	45.9	15%	0.147	25%	0.248	C	C	.	.			trans	-135.6	161.1	171.4	63	0	0	0	0	112	N425 A485 S490 E491	N425-T488 PolarHBondContact ND2-O 3.22Å; N425-T488 PolarHBondContact OD1-O 2.83Å; A485-T488 HydrophobicContact CB-CG2 4.02Å; A485-T488 WeakPolarHBondContact O-CB 3.3Å; A485-T488 WeakPolarHBondContact O-CG2 3.47Å; A485-T488 PolarHBondContact O-N 2.89Å; A485-T488 PolarHBondContact O-OG1 2.83Å; T488-S490 PolarHBondContact OG1-OG 2.96Å; T488-E491 PolarHBondContact N-OE1 3.05Å
489	V	98.3	Very high	98.7	Very high	30 Å²	30	42.3 Å²	42.3	18%	0.182	23%	0.231	C	C	.	.	S	Bend	trans	-74.9	-26.3	173.6	-71	0	0	0	0	112.2	F422 R427 M462 E491 A492	F422-V489 HydrophobicContact CE1-CB 4.21Å; R427-V489 HydrophobicContact CB-CG1 4.29Å; R427-V489 HydrophobicContact CG-CG1 4.32Å; M462-V489 HydrophobicContact CE-CB 3.85Å; M462-V489 HydrophobicContact CE-CG2 3.76Å; M462-V489 WeakPolarHBondContact CE-O 3.36Å; V489-E491 PolarHBondContact O-N 2.91Å; V489-A492 VanDerWaalsContact O-CB 3.28Å; V489-A492 WeakPolarHBondContact O-CB 3.28Å; V489-A492 PolarHBondContact O-N 3.38Å
490	S	98.6	Very high	98.7	Very high	26 Å²	26	42.1 Å²	42.1	18%	0.182	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-13.1	177.4	53.7	0	0	0	0	113.4	H484 T488 A492 F493 R494	H484-S490 PolarHBondContact CD2-O 3.48Å; T488-S490 PolarHBondContact OG1-OG 2.96Å; S490-A492 PolarHBondContact O-N 3.4Å; S490-A492 VanDerWaalsContact O-N 3.13Å; S490-F493 WeakPolarHBondContact O-CA 3.37Å; S490-F493 VanDerWaalsContact O-CB 3.3Å; S490-F493 WeakPolarHBondContact O-CB 3.34Å; S490-F493 PolarHBondContact O-N 2.84Å; S490-R494 PolarHBondContact O-N 3.33Å
491	E	98.8	Very high	98.7	Very high	24 Å²	24	43.1 Å²	43.1	11%	0.112	24%	0.236	C	C	.	.	H	α-helix	trans	-54.6	-28.6	163.7	-69.9	174.5	-91.1	0	0	112.4	H484 H486 P487 T488 V489 F493 R494 E495	H484-E491 HydrophobicContact CB-CG 4.28Å; H486-E491 IonicContact CE1-OE2 2.73Å; H486-E491 IonicContact CG-OE1 2.69Å; H486-E491 IonicContact CG-OE2 3.45Å; H486-E491 VanDerWaalsContact ND1-CD 3.32Å; H486-E491 IonicContact ND1-OE1 2.67Å; H486-E491 PolarHBondContact ND1-OE1 3.3Å; H486-E491 VanDerWaalsContact ND1-OE1 3.17Å; H486-E491 IonicContact ND1-OE2 3.12Å; H486-E491 PolarHBondContact ND1-OE2 2.95Å; P487-E491 VanDerWaalsContact CA-OE1 3.3Å; P487-E491 WeakPolarHBondContact CA-OE1 3.37Å; T488-E491 PolarHBondContact N-OE1 3.05Å; V489-E491 PolarHBondContact O-N 2.91Å; E491-F493 VanDerWaalsContact C-N 3.33Å; E491-R494 WeakPolarHBondContact O-CB 3.18Å; E491-R494 PolarHBondContact O-N 3.22Å; E491-E495 WeakPolarHBondContact O-CB 3.47Å; E491-E495 VanDerWaalsContact O-CG 3.22Å; E491-E495 WeakPolarHBondContact O-CG 3.25Å; E491-E495 PolarHBondContact O-N 2.91Å
492	A	98.8	Very high	98.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-32.9	171.8	0	0	0	0	0	113	F420 F422 N425 V438 V489 S490 A496	F420-A492 HydrophobicContact CD1-CB 3.73Å; F420-A492 HydrophobicContact CE1-CB 4.35Å; F422-A492 HydrophobicContact CD1-CB 3.95Å; F422-A492 HydrophobicContact CE1-CB 3.51Å; F422-A492 HydrophobicContact CZ-CB 4.06Å; N425-A492 HydrophobicContact CB-CB 4.38Å; V438-A492 HydrophobicContact CG2-CB 3.75Å; V489-A492 VanDerWaalsContact O-CB 3.28Å; V489-A492 WeakPolarHBondContact O-CB 3.28Å; V489-A492 PolarHBondContact O-N 3.38Å; S490-A492 PolarHBondContact O-N 3.4Å; S490-A492 VanDerWaalsContact O-N 3.13Å; A492-A496 VanDerWaalsContact O-CB 3.23Å; A492-A496 WeakPolarHBondContact O-CB 3.43Å; A492-A496 PolarHBondContact O-N 2.94Å
493	F	98.9	Very high	98.6	Very high	1 Å²	1	39.7 Å²	39.7	0%	0.004	24%	0.24	C	C	.	.	H	α-helix	trans	-70.2	-43.1	173.7	176.3	-113.2	0	0	0	110.8	V438 I440 M449 A452 M462 E465 A466 V479 H484 S490 E491 A496 N497	V438-F493 HydrophobicContact CG1-CD2 4.18Å; I440-F493 HydrophobicContact CD1-CD2 3.74Å; I440-F493 HydrophobicContact CD1-CE2 3.63Å; M449-F493 HydrophobicContact CE-CE2 4.11Å; M449-F493 HydrophobicContact CE-CZ 3.88Å; A452-F493 HydrophobicContact CB-CE2 4.16Å; M462-F493 HydrophobicContact CG-CB 4.17Å; M462-F493 HydrophobicContact SD-CB 3.82Å; E465-F493 HydrophobicContact CB-CE1 4.33Å; E465-F493 HydrophobicContact CG-CD1 4.32Å; E465-F493 HydrophobicContact CG-CE1 3.87Å; A466-F493 HydrophobicContact CB-CE2 3.66Å; A466-F493 HydrophobicContact CB-CZ 3.7Å; V479-F493 HydrophobicContact CG1-CD1 3.76Å; V479-F493 HydrophobicContact CG1-CE1 3.35Å; V479-F493 HydrophobicContact CG1-CZ 3.93Å; H484-F493 AromaticContact NE2-CD1 3.81Å; S490-F493 WeakPolarHBondContact O-CA 3.37Å; S490-F493 VanDerWaalsContact O-CB 3.3Å; S490-F493 WeakPolarHBondContact O-CB 3.34Å; S490-F493 PolarHBondContact O-N 2.84Å; E491-F493 VanDerWaalsContact C-N 3.33Å; F493-A496 PolarHBondContact O-N 2.97Å; F493-N497 WeakPolarHBondContact CE2-ND2 3.38Å; F493-N497 WeakPolarHBondContact O-CB 3.48Å; F493-N497 PolarHBondContact O-N 3.15Å; F493-N497 PolarHBondContact O-ND2 2.61Å
494	R	98.9	Very high	98.5	Very high	81 Å²	81	41.6 Å²	41.6	31%	0.306	23%	0.234	S	C	.	.	H	α-helix	trans	-56.6	-52	171.2	-165.4	-173.5	171.9	-148.5	-5	113	A480 V482 S490 E491 N497 L498	A480-R494 PolarHBondContact O-NE 2.66Å; A480-R494 PolarHBondContact O-NH2 2.82Å; V482-R494 PolarHBondContact O-NE 2.75Å; S490-R494 PolarHBondContact O-N 3.33Å; E491-R494 WeakPolarHBondContact O-CB 3.18Å; E491-R494 PolarHBondContact O-N 3.22Å; R494-N497 PolarHBondContact O-N 2.78Å; R494-L498 PolarHBondContact O-N 3.29Å
495	E	98.9	Very high	98.5	Very high	14 Å²	14	41.2 Å²	41.2	7%	0.065	23%	0.234	C	C	.	.	H	α-helix	trans	-68.2	-35.9	-177.3	-67.7	-83.3	146.9	0	0	111.8	F420 E491 L498 A499 A505 I506 N507	F420-E495 HydrophobicContact CB-CB 4.16Å; F420-E495 HydrophobicContact CD1-CB 4.2Å; F420-E495 HydrophobicContact CD2-CB 3.33Å; F420-E495 HydrophobicContact CD2-CG 4.11Å; F420-E495 HydrophobicContact CE1-CB 4.44Å; F420-E495 HydrophobicContact CE2-CB 3.63Å; F420-E495 HydrophobicContact CE2-CG 3.86Å; F420-E495 HydrophobicContact CG-CB 3.63Å; F420-E495 HydrophobicContact CZ-CB 4.18Å; F420-E495 HydrophobicContact CZ-CG 4.1Å; E491-E495 WeakPolarHBondContact O-CB 3.47Å; E491-E495 VanDerWaalsContact O-CG 3.22Å; E491-E495 WeakPolarHBondContact O-CG 3.25Å; E491-E495 PolarHBondContact O-N 2.91Å; E495-L498 PolarHBondContact O-N 2.89Å; E495-A499 WeakPolarHBondContact O-CB 3.49Å; E495-A499 PolarHBondContact O-N 3.19Å; E495-A505 HydrophobicContact CB-CB 4.29Å; E495-A505 WeakPolarHBondContact OE2-CB 3.06Å; E495-I506 PolarHBondContact OE2-N 3.08Å; E495-N507 VanDerWaalsContact CD-ND2 3.33Å; E495-N507 PolarHBondContact OE1-ND2 2.96Å; E495-N507 PolarHBondContact OE2-N 2.93Å; E495-N507 PolarHBondContact OE2-ND2 3.36Å
496	A	98.9	Very high	98.5	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.8	-35.5	173.5	0	0	0	0	0	112.4	G418 F420 V438 I440 A492 F493 A499 A500	G418-A496 WeakPolarHBondContact CA-O 3.46Å; F420-A496 HydrophobicContact CB-CB 3.89Å; V438-A496 HydrophobicContact CB-CB 3.89Å; V438-A496 HydrophobicContact CG1-CB 3.79Å; I440-A496 HydrophobicContact CG1-CB 3.77Å; A492-A496 VanDerWaalsContact O-CB 3.23Å; A492-A496 WeakPolarHBondContact O-CB 3.43Å; A492-A496 PolarHBondContact O-N 2.94Å; F493-A496 PolarHBondContact O-N 2.97Å; A496-A499 PolarHBondContact O-N 3.22Å; A496-A500 PolarHBondContact O-N 2.9Å
497	N	98.9	Very high	98.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-67.5	-41.5	170.9	-85.1	-81.2	0	0	0	111.8	M449 C476 V479 A480 F493 R494 A499 A500 S501	M449-N497 WeakPolarHBondContact CE-OD1 3.38Å; C476-N497 WeakPolarHBondContact CA-OD1 3.39Å; C476-N497 HydrophobicContact CB-CB 4.26Å; C476-N497 PolarHBondContact SG-OD1 2.98Å; V479-N497 HydrophobicContact CB-CB 4.02Å; V479-N497 HydrophobicContact CG1-CB 3.97Å; V479-N497 WeakPolarHBondContact CG1-ND2 3.35Å; A480-N497 HydrophobicContact CB-CB 4.44Å; F493-N497 WeakPolarHBondContact CE2-ND2 3.38Å; F493-N497 WeakPolarHBondContact O-CB 3.48Å; F493-N497 PolarHBondContact O-N 3.15Å; F493-N497 PolarHBondContact O-ND2 2.61Å; R494-N497 PolarHBondContact O-N 2.78Å; N497-A499 VanDerWaalsContact C-N 3.32Å; N497-A499 PolarHBondContact O-N 3.47Å; N497-A500 PolarHBondContact O-N 3.05Å; N497-S501 WeakPolarHBondContact O-CB 3.25Å; N497-S501 PolarHBondContact O-N 2.7Å
498	L	98.8	Very high	98	Very high	33 Å²	33	47.6 Å²	47.6	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-43.5	173.9	-169.3	79.2	0	0	0	111.2	A480 R494 E495 A500 S501 F502 K504 I506	A480-L498 HydrophobicContact CB-CB 3.9Å; A480-L498 HydrophobicContact CB-CD1 3.77Å; A480-L498 HydrophobicContact CB-CG 4.47Å; R494-L498 PolarHBondContact O-N 3.29Å; E495-L498 PolarHBondContact O-N 2.89Å; L498-A500 PolarHBondContact O-N 2.96Å; L498-S501 PolarHBondContact O-N 3.06Å; L498-F502 HydrophobicContact CD1-CD2 3.45Å; L498-F502 VanDerWaalsContact CD1-CD2 3.45Å; L498-F502 HydrophobicContact CD1-CE2 3.79Å; L498-F502 HydrophobicContact CD1-CG 4.28Å; L498-F502 HydrophobicContact CG-CD2 4.13Å; L498-F502 PolarHBondContact O-N 2.92Å; L498-K504 CarbonylContact C-O 3.52Å; L498-I506 HydrophobicContact CD2-CD1 3.84Å; L498-I506 HydrophobicContact CD2-CG1 3.58Å
499	A	98.8	Very high	97.9	Very high	12 Å²	12	48.8 Å²	48.8	10%	0.099	26%	0.256	C	S	.	.	H	α-helix	trans	-63.7	-37.8	175.2	0	0	0	0	0	113	E495 A496 N497 G503 K504 A505	E495-A499 WeakPolarHBondContact O-CB 3.49Å; E495-A499 PolarHBondContact O-N 3.19Å; A496-A499 PolarHBondContact O-N 3.22Å; N497-A499 VanDerWaalsContact C-N 3.32Å; N497-A499 PolarHBondContact O-N 3.47Å; A499-G503 CarbonylContact O-C 3.51Å; A499-G503 WeakPolarHBondContact O-CA 3.24Å; A499-G503 PolarHBondContact O-N 3.05Å; A499-G503 VanDerWaalsContact O-N 3.07Å; A499-K504 WeakPolarHBondContact CA-O 3.47Å; A499-A505 HydrophobicContact CB-CB 4.39Å
500	A	98.7	Very high	97.9	Very high	4 Å²	4	49.7 Å²	49.7	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-67.2	-43.6	174.5	0	0	0	0	0	111.5	K416 I440 C476 A496 N497 L498	K416-A500 WeakPolarHBondContact CD-O 3.31Å; K416-A500 WeakPolarHBondContact CE-O 3.46Å; K416-A500 PolarHBondContact NZ-O 3.33Å; K416-A500 VanDerWaalsContact NZ-O 3.1Å; I440-A500 HydrophobicContact CB-CB 4.31Å; I440-A500 HydrophobicContact CG2-CB 4.22Å; C476-A500 HydrophobicContact CB-CB 4.12Å; A496-A500 PolarHBondContact O-N 2.9Å; N497-A500 PolarHBondContact O-N 3.05Å; L498-A500 PolarHBondContact O-N 2.96Å
501	S	98.6	Very high	97.9	Very high	22 Å²	22	51.1 Å²	51.1	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-76.1	-56.4	-174.4	-168	0	0	0	0	112.2	K416 D447 E477 N497 L498	K416-S501 PolarHBondContact NZ-O 3.44Å; K416-S501 VanDerWaalsContact NZ-O 3.1Å; D447-S501 WeakPolarHBondContact OD1-CA 3.43Å; D447-S501 PolarHBondContact OD1-OG 2.83Å; D447-S501 WeakPolarHBondContact OD2-CB 3.48Å; D447-S501 PolarHBondContact OD2-OG 3.25Å; E477-S501 WeakPolarHBondContact CB-OG 3.33Å; E477-S501 PolarHBondContact N-OG 3.19Å; N497-S501 WeakPolarHBondContact O-CB 3.25Å; N497-S501 PolarHBondContact O-N 2.7Å; L498-S501 PolarHBondContact O-N 3.06Å
502	F	98.2	Very high	97.8	Very high	102 Å²	102	52.6 Å²	52.6	45%	0.447	27%	0.273	S	S	.	.	H	α-helix	trans	-99.5	0.7	-172.6	-59.8	-91.6	0	0	0	114.4	E477 L498 K504	E477-F502 HydrophobicContact CB-CE2 4.45Å; E477-F502 HydrophobicContact CG-CE2 4.16Å; E477-F502 HydrophobicContact CG-CZ 3.9Å; L498-F502 HydrophobicContact CD1-CD2 3.45Å; L498-F502 VanDerWaalsContact CD1-CD2 3.45Å; L498-F502 HydrophobicContact CD1-CE2 3.79Å; L498-F502 HydrophobicContact CD1-CG 4.28Å; L498-F502 HydrophobicContact CG-CD2 4.13Å; L498-F502 PolarHBondContact O-N 2.92Å; F502-K504 PolarHBondContact O-N 2.92Å
503	G	97.4	Very high	97.8	Very high	68 Å²	68	55.9 Å²	55.9	70%	0.701	29%	0.29	S	S	*	.	S	Bend	trans	82.7	-0	174.5	0	0	0	0	0	116.3	A499	A499-G503 CarbonylContact O-C 3.51Å; A499-G503 WeakPolarHBondContact O-CA 3.24Å; A499-G503 PolarHBondContact O-N 3.05Å; A499-G503 VanDerWaalsContact O-N 3.07Å
504	K	97.1	Very high	97.7	Very high	156 Å²	156	59.6 Å²	59.6	68%	0.678	31%	0.309	S	S	*	.	S	Bend	trans	-158	155.8	172.6	57.7	176.1	176.1	175.4	0	111.4	L498 A499 F502	L498-K504 CarbonylContact C-O 3.52Å; A499-K504 WeakPolarHBondContact CA-O 3.47Å; F502-K504 PolarHBondContact O-N 2.92Å
505	A	97.8	Very high	97.6	Very high	9 Å²	9	58.1 Å²	58.1	7%	0.074	31%	0.31	C	S	.	.			trans	-82.4	179.5	170.5	0	0	0	0	0	110.4	F420 E495 A499 F508	F420-A505 HydrophobicContact CD2-CB 3.88Å; F420-A505 HydrophobicContact CE2-CB 4.14Å; E495-A505 HydrophobicContact CB-CB 4.29Å; E495-A505 WeakPolarHBondContact OE2-CB 3.06Å; A499-A505 HydrophobicContact CB-CB 4.39Å; A505-F508 HydrophobicContact CB-CB 4.24Å; A505-F508 WeakPolarHBondContact CB-O 3.28Å
506	I	98.5	Very high	97.5	Very high	131 Å²	131	61.5 Å²	61.5	67%	0.672	33%	0.328	S	S	*	.	S	Bend	trans	-87.2	-38.3	164	-58.7	-53	0	0	0	109.7	E495 L498	E495-I506 PolarHBondContact OE2-N 3.08Å; L498-I506 HydrophobicContact CD2-CD1 3.84Å; L498-I506 HydrophobicContact CD2-CG1 3.58Å
507	N	97.6	Very high	97.4	Very high	91 Å²	91	66.6 Å²	66.6	49%	0.487	36%	0.356	S	S	.	.			trans	-104.5	7.6	-168.8	-67.8	-79.3	0	0	0	114.1	F420 E495	F420-N507 HydrophobicContact CE2-CB 3.73Å; F420-N507 HydrophobicContact CZ-CB 3.72Å; E495-N507 VanDerWaalsContact CD-ND2 3.33Å; E495-N507 PolarHBondContact OE1-ND2 2.96Å; E495-N507 PolarHBondContact OE2-N 2.93Å; E495-N507 PolarHBondContact OE2-ND2 3.36Å
508	F	88.1	Confident	97.2	Very high	171 Å²	171	72.6 Å²	72.6	75%	0.75	39%	0.388	S	S	*	.			trans	-155	0	176.7	-170.5	-113	0	0	0	112.7	F420 P421 A505	F420-F508 HydrophobicContact CD2-CB 3.71Å; F420-F508 HydrophobicContact CE2-CB 3.56Å; P421-F508 HydrophobicContact CG-CD1 4.18Å; P421-F508 HydrophobicContact CG-CD2 3.72Å; P421-F508 HydrophobicContact CG-CE1 4.16Å; P421-F508 HydrophobicContact CG-CE2 3.72Å; P421-F508 HydrophobicContact CG-CG 3.97Å; P421-F508 HydrophobicContact CG-CZ 3.94Å; A505-F508 HydrophobicContact CB-CB 4.24Å; A505-F508 WeakPolarHBondContact CB-O 3.28Å

Retrieved 508 of 508 residues in 120.9 ms (Link to these results)

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