A0A077ZCV8_TRITR Loading...

alanine transaminase

AlphaFold DB , UniProt , Accession A0A077ZCV8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 535 aa.

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(Predicted Aligned Error values between residue pairs)

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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	19.9	Very low	28.5	Very low	231 Å²	231	141.4 Å²	141.4	100%	1.138	78%	0.783	S	S	*	*				0	139.1	0	-77.4	-170.7	-177.6	0	0	107.9	I3	M1-I3 PolarHBondContact O-N 2.79Å
2	P	31.5	Very low	28.4	Very low	128 Å²	128	146.5 Å²	146.5	83%	0.831	79%	0.791	S	S	*	*			trans	-72.7	124	-156.7	28.8	-32	0	0	0	111	L4	P2-L4 PolarHBondContact O-N 3.13Å
3	I	28.2	Very low	28.5	Very low	144 Å²	144	149.2 Å²	149.2	74%	0.738	79%	0.791	S	S	*	*			trans	-65.4	116.9	173	-64.3	168.6	0	0	0	106.7	M1 T5	M1-I3 PolarHBondContact O-N 2.79Å; I3-T5 PolarHBondContact O-N 3.12Å
4	L	27.7	Very low	28.6	Very low	172 Å²	172	145.3 Å²	145.3	90%	0.901	79%	0.791	S	S	*	*			trans	-59.3	103.3	173.1	-81.9	155.7	0	0	0	108.6	P2	P2-L4 PolarHBondContact O-N 3.13Å
5	T	28.6	Very low	28.7	Very low	123 Å²	123	146.7 Å²	146.7	76%	0.755	80%	0.797	S	S	*	*			trans	-68.9	129.1	173	44.7	0	0	0	0	109.6	I3 P7	I3-T5 PolarHBondContact O-N 3.12Å; T5-P7 WeakPolarHBondContact O-CD 3.35Å
6	S	27.6	Very low	29	Very low	92 Å²	92	144.5 Å²	144.5	64%	0.643	80%	0.797	S	S	*	*			trans	-61.2	122.4	174.6	145.2	0	0	0	0	110.3	T8	S6-T8 PolarHBondContact O-N 3.25Å
7	P	30.1	Very low	28.9	Very low	117 Å²	117	140.9 Å²	140.9	76%	0.76	80%	0.8	S	S	*	*			trans	-88.9	89.6	179.9	33.2	-29.7	0	0	0	110.6	T5	T5-P7 WeakPolarHBondContact O-CD 3.35Å
8	T	30.6	Very low	29	Very low	83 Å²	83	137.3 Å²	137.3	51%	0.509	80%	0.8	S	S	.	*			trans	-96.2	71.7	160.6	48.2	0	0	0	0	109.2	S6 H10	S6-T8 PolarHBondContact O-N 3.25Å; T8-H10 PolarHBondContact O-N 2.82Å
9	N	30	Very low	29.1	Very low	137 Å²	137	141.1 Å²	141.1	73%	0.733	81%	0.805	S	S	*	*			trans	-87.1	99.7	169.4	-87.5	-12.7	0	0	0	109.2	L11	N9-L11 VanDerWaalsContact C-N 3.3Å; N9-L11 PolarHBondContact O-N 2.85Å
10	H	28.6	Very low	29.3	Very low	187 Å²	187	146.1 Å²	146.1	87%	0.866	81%	0.811	S	S	*	*			trans	-72.1	84.1	164.9	-73.9	-71.9	0	0	0	109.6	T8 K12	T8-H10 PolarHBondContact O-N 2.82Å; H10-K12 PolarHBondContact O-N 3.11Å
11	L	30.3	Very low	29.5	Very low	141 Å²	141	147 Å²	147	74%	0.738	81%	0.814	S	S	*	*			trans	-82	113.2	171.5	-86.4	154.1	0	0	0	109.8	N9 F13	N9-L11 VanDerWaalsContact C-N 3.3Å; N9-L11 PolarHBondContact O-N 2.85Å; L11-F13 PolarHBondContact O-N 3.08Å
12	K	27.9	Very low	30.2	Very low	203 Å²	203	141.3 Å²	141.3	88%	0.883	80%	0.797	S	S	*	*			trans	-62.8	123.7	171.5	-71.8	179.9	176.2	178.9	0	109.5	H10 A14	H10-K12 PolarHBondContact O-N 3.11Å; K12-A14 PolarHBondContact O-N 2.91Å
13	F	30	Very low	30.3	Very low	181 Å²	181	144.6 Å²	144.6	79%	0.794	80%	0.801	S	S	*	*			trans	-69	114.4	176.2	-72.5	-90.2	0	0	0	110.1	L11	L11-F13 PolarHBondContact O-N 3.08Å
14	A	29.1	Very low	30.6	Very low	95 Å²	95	143.1 Å²	143.1	79%	0.785	80%	0.803	S	S	*	*			trans	-100.5	119.3	165.3	0	0	0	0	0	108.6	K12	K12-A14 PolarHBondContact O-N 2.91Å
15	D	29.9	Very low	31.1	Very low	166 Å²	166	144.3 Å²	144.3	89%	0.888	80%	0.804	S	S	*	*			trans	-73.5	125.9	180	-154.6	2.8	0	0	0	109.5
16	S	34	Very low	31.5	Very low	112 Å²	112	145.6 Å²	145.6	78%	0.783	81%	0.812	S	S	*	*			trans	-140	98.3	171.1	49.1	0	0	0	0	110
17	G	27.1	Very low	32	Very low	83 Å²	83	144.4 Å²	144.4	86%	0.856	81%	0.814	S	S	*	*			trans	-68	133.9	166.4	0	0	0	0	0	110.9
18	G	30.7	Very low	32.6	Very low	77 Å²	77	144.8 Å²	144.8	79%	0.794	82%	0.817	S	S	*	*			trans	-142.6	113.1	175.2	0	0	0	0	0	110.1
19	K	31.9	Very low	33.3	Very low	209 Å²	209	146 Å²	146	91%	0.909	84%	0.835	S	S	*	*			trans	-64.5	143.3	-175.2	-74.6	174	173.9	176.1	0	112.7
20	R	31.6	Very low	34.1	Very low	241 Å²	241	146.7 Å²	146.7	91%	0.909	84%	0.839	S	S	*	*			trans	-60.3	128.6	168.2	-71.5	174.2	173.3	174.9	-3.1	110.4
21	N	33.9	Very low	35	Very low	166 Å²	166	142.9 Å²	142.9	89%	0.888	83%	0.833	S	S	*	*			trans	-131.6	122.1	153.6	-101.8	-6.6	0	0	0	109.2
22	S	34.3	Very low	35.9	Very low	110 Å²	110	145.3 Å²	145.3	77%	0.769	84%	0.843	S	S	*	*			trans	-75.7	132.8	172.9	48.6	0	0	0	0	110.4
23	Q	34.4	Very low	37.2	Very low	198 Å²	198	140.8 Å²	140.8	93%	0.925	84%	0.837	S	S	*	*			trans	-154.2	125.6	147.5	-109.3	171.6	23.5	0	0	110
24	S	35.1	Very low	38.7	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	84%	0.837	S	S	*	*			trans	-79	124.7	177.9	49.4	0	0	0	0	110.8
25	Q	37.2	Very low	40.3	Very low	198 Å²	198	137 Å²	137	93%	0.925	83%	0.833	S	S	*	*			trans	-142.6	127.4	152.4	-74.5	-166.1	-0.2	0	0	109.7
26	T	36.4	Very low	42.1	Very low	150 Å²	150	135 Å²	135	92%	0.92	83%	0.83	S	S	*	*			trans	-83.7	124	178.4	46.3	0	0	0	0	109.8
27	G	39.2	Very low	44.1	Very low	66 Å²	66	134.3 Å²	134.3	68%	0.68	83%	0.825	S	S	*	*			trans	-148.6	156	172.9	0	0	0	0	0	110.3
28	P	42.1	Very low	46.7	Very low	126 Å²	126	140 Å²	140	82%	0.818	82%	0.82	S	S	*	*			trans	-82	161.6	-148.6	33.1	-35.1	0	0	0	114.6	D30	P28-D30 PolarHBondContact O-N 3.11Å
29	A	45.3	Very low	49.5	Very low	108 Å²	108	143.7 Å²	143.7	89%	0.893	81%	0.814	S	S	*	*			trans	-63.5	93	-167.8	0	0	0	0	0	113.9
30	D	47	Very low	52.3	Low	151 Å²	151	141.5 Å²	141.5	81%	0.807	81%	0.812	S	S	*	*			trans	-90.9	128.8	161.6	-85.7	-29.1	0	0	0	110.6	P28 M32	P28-D30 PolarHBondContact O-N 3.11Å; D30-M32 PolarHBondContact O-N 3.29Å
31	S	47.9	Very low	55.2	Low	107 Å²	107	135.9 Å²	135.9	75%	0.748	80%	0.799	S	S	*	*			trans	-18.8	108.4	176.2	56.8	0	0	0	0	115	S33	S31-S33 PolarHBondContact O-N 2.94Å
32	M	49.4	Very low	58	Low	192 Å²	192	130.4 Å²	130.4	95%	0.946	77%	0.771	S	S	*	*			trans	-63.7	84.8	164.9	-76.9	-172.7	158.2	0	0	109	D30 A34	D30-M32 PolarHBondContact O-N 3.29Å; M32-A34 PolarHBondContact O-N 3.44Å
33	S	55.4	Low	60.7	Low	108 Å²	108	131.4 Å²	131.4	76%	0.755	77%	0.766	S	S	*	*			trans	-54.5	110.1	154	58.6	0	0	0	0	105.8	S31 S35	S31-S33 PolarHBondContact O-N 2.94Å; S33-S35 VanDerWaalsContact C-N 3.28Å; S33-S35 PolarHBondContact O-N 2.99Å
34	A	60.9	Low	63.4	Low	95 Å²	95	130.4 Å²	130.4	79%	0.785	75%	0.753	S	S	*	*			trans	-59.3	97.7	178	0	0	0	0	0	107.3	M32 P36	M32-A34 PolarHBondContact O-N 3.44Å; A34-P36 VanDerWaalsContact O-N 3.16Å
35	S	63	Low	66.3	Low	102 Å²	102	129.1 Å²	129.1	71%	0.713	74%	0.735	S	S	*	*			trans	-52.5	125.1	174.5	50	0	0	0	0	107.2	S33 S37	S33-S35 VanDerWaalsContact C-N 3.28Å; S33-S35 PolarHBondContact O-N 2.99Å; S35-S37 PolarHBondContact O-N 2.85Å
36	P	66.7	Low	69	Low	125 Å²	125	122.1 Å²	122.1	81%	0.812	70%	0.704	S	S	*	*			trans	-55	123.3	-170.6	16.1	-28.8	0	0	0	109	A34 R38	A34-P36 VanDerWaalsContact O-N 3.16Å; P36-R38 PolarHBondContact O-N 2.91Å
37	S	75.9	Confident	71.7	Confident	97 Å²	97	118.7 Å²	118.7	68%	0.678	68%	0.68	S	S	*	*			trans	-50.9	114.8	-169.9	80.7	0	0	0	0	109.5	S35 K39	S35-S37 PolarHBondContact O-N 2.85Å; S37-K39 PolarHBondContact O-N 3.45Å
38	R	83.3	Confident	74.3	Confident	201 Å²	201	119.2 Å²	119.2	76%	0.758	67%	0.671	S	S	*	*			trans	-58	124.6	179	-177.1	176.4	174.5	175	-1.8	108.5	P36 L40	P36-R38 PolarHBondContact O-N 2.91Å; R38-L40 PolarHBondContact O-N 3.28Å
39	K	88.7	Confident	76.7	Confident	155 Å²	155	117.9 Å²	117.9	67%	0.674	65%	0.65	S	S	*	*			trans	-63.1	130.8	177.2	-60.1	-61.7	-175.9	-177.9	0	109	S37 T42	S37-K39 PolarHBondContact O-N 3.45Å; K39-T42 HydrophobicContact CB-CG2 4.46Å; K39-T42 VanDerWaalsContact O-CG2 3.27Å; K39-T42 WeakPolarHBondContact O-CG2 3.32Å
40	L	90.5	Very high	78.9	Confident	164 Å²	164	116.1 Å²	116.1	86%	0.859	62%	0.624	S	S	*	*	S	Bend	trans	-77.6	-36.8	-175.5	-68.4	172.9	0	0	0	113.1	R38	R38-L40 PolarHBondContact O-N 3.28Å
41	L	92.4	Very high	80.8	Confident	123 Å²	123	113 Å²	113	64%	0.644	61%	0.607	S	S	*	*	S	Bend	trans	-99.9	102	173.7	-177.9	65	0	0	0	108.4	E45	L41-E45 HydrophobicContact CD1-CB 4.15Å
42	T	92.5	Very high	82.6	Confident	50 Å²	50	112.4 Å²	112.4	31%	0.307	59%	0.592	S	S	.	*			trans	-111.6	178.5	173.1	81.9	0	0	0	0	110.5	K39 R44 E45 L46	K39-T42 HydrophobicContact CB-CG2 4.46Å; K39-T42 VanDerWaalsContact O-CG2 3.27Å; K39-T42 WeakPolarHBondContact O-CG2 3.32Å; T42-R44 PolarHBondContact O-N 3.15Å; T42-R44 PolarHBondContact OG1-N 3.34Å; T42-E45 VanDerWaalsContact CB-OE2 3.29Å; T42-E45 WeakPolarHBondContact CB-OE2 3.24Å; T42-E45 PolarHBondContact N-OE2 3.24Å; T42-E45 VanDerWaalsContact N-OE2 3.1Å; T42-E45 PolarHBondContact O-N 3.11Å; T42-E45 PolarHBondContact OG1-OE2 2.83Å; T42-L46 WeakPolarHBondContact O-CB 3.02Å; T42-L46 PolarHBondContact O-N 2.97Å
43	M	91.3	Very high	84.4	Confident	131 Å²	131	106.5 Å²	106.5	65%	0.645	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-21.5	173.7	-67.7	-57.4	-65.7	0	0	113.2	L46 I51	M43-L46 HydrophobicContact CE-CD2 4.32Å; M43-L46 HydrophobicContact SD-CD2 3.98Å; M43-I51 HydrophobicContact CE-CD1 3.71Å; M43-I51 HydrophobicContact CE-CG1 3.93Å; M43-I51 HydrophobicContact CE-CG2 4.35Å
44	R	92.2	Very high	85.6	Confident	177 Å²	177	108.9 Å²	108.9	67%	0.668	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-37.6	174.5	179.4	-178.4	174.3	174.9	-1.1	112.7	T42	T42-R44 PolarHBondContact O-N 3.15Å; T42-R44 PolarHBondContact OG1-N 3.34Å
45	E	94	Very high	86.5	Confident	86 Å²	86	108 Å²	108	40%	0.402	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-16	-177.6	-65.6	73.3	-145	0	0	112.8	L41 T42	L41-E45 HydrophobicContact CD1-CB 4.15Å; T42-E45 VanDerWaalsContact CB-OE2 3.29Å; T42-E45 WeakPolarHBondContact CB-OE2 3.24Å; T42-E45 PolarHBondContact N-OE2 3.24Å; T42-E45 VanDerWaalsContact N-OE2 3.1Å; T42-E45 PolarHBondContact O-N 3.11Å; T42-E45 PolarHBondContact OG1-OE2 2.83Å
46	L	94.3	Very high	86.8	Confident	50 Å²	50	104.4 Å²	104.4	26%	0.262	52%	0.516	S	S	.	.	S	Bend	trans	-60.3	139.1	178	-177.1	63	0	0	0	110.5	T42 M43 P48 I51	T42-L46 WeakPolarHBondContact O-CB 3.02Å; T42-L46 PolarHBondContact O-N 2.97Å; M43-L46 HydrophobicContact CE-CD2 4.32Å; M43-L46 HydrophobicContact SD-CD2 3.98Å; L46-P48 VanDerWaalsContact O-CD 3.32Å; L46-P48 WeakPolarHBondContact O-CD 3.21Å; L46-I51 HydrophobicContact CB-CD1 4.4Å; L46-I51 HydrophobicContact CD2-CD1 4.18Å; L46-I51 HydrophobicContact CD2-CG1 3.72Å; L46-I51 HydrophobicContact CG-CD1 4.43Å; L46-I51 HydrophobicContact CG-CG1 4.18Å
47	N	93.2	Very high	87.1	Confident	78 Å²	78	99.8 Å²	99.8	42%	0.417	49%	0.485	S	S	.	.			trans	-52.9	115.7	174.5	177	-1.5	0	0	0	109.8	R49 I50	N47-R49 PolarHBondContact O-N 3.16Å; N47-R49 VanDerWaalsContact O-N 3.12Å; N47-R49 VanDerWaalsContact OD1-CB 3.31Å; N47-R49 WeakPolarHBondContact OD1-CB 3.38Å; N47-R49 PolarHBondContact OD1-N 3Å; N47-I50 HydrophobicContact CB-CG1 3.94Å; N47-I50 WeakPolarHBondContact O-CB 3.41Å; N47-I50 PolarHBondContact O-N 3.36Å
48	P	93.7	Very high	87	Confident	77 Å²	77	104.8 Å²	104.8	50%	0.5	49%	0.489	S	S	.	.	H	α-helix	trans	-61.3	-26.2	-176.4	24.1	-34.3	0	0	0	112.6	L46 I50 I51 E52	L46-P48 VanDerWaalsContact O-CD 3.32Å; L46-P48 WeakPolarHBondContact O-CD 3.21Å; P48-I50 VanDerWaalsContact C-N 3.26Å; P48-I50 PolarHBondContact O-N 3.07Å; P48-I51 WeakPolarHBondContact O-CB 3.19Å; P48-I51 PolarHBondContact O-N 3.45Å; P48-I51 VanDerWaalsContact O-N 3.09Å; P48-E52 WeakPolarHBondContact O-CG 3.17Å; P48-E52 PolarHBondContact O-N 2.96Å
49	R	93	Very high	86.9	Confident	99 Å²	99	96 Å²	96	37%	0.374	46%	0.462	S	S	.	.	H	α-helix	trans	-64.9	-29.8	175.1	-59.6	-51.7	-172.1	-174.1	1.4	113.4	N47 E52 M53 S218 E219	N47-R49 PolarHBondContact O-N 3.16Å; N47-R49 VanDerWaalsContact O-N 3.12Å; N47-R49 VanDerWaalsContact OD1-CB 3.31Å; N47-R49 WeakPolarHBondContact OD1-CB 3.38Å; N47-R49 PolarHBondContact OD1-N 3Å; R49-E52 WeakPolarHBondContact CD-OE2 3.38Å; R49-E52 IonicContact CZ-OE2 2.7Å; R49-E52 IonicContact NH1-OE1 2.88Å; R49-E52 IonicContact NH1-OE2 3.09Å; R49-E52 PolarHBondContact NH1-OE2 3.01Å; R49-M53 WeakPolarHBondContact O-CB 3.32Å; R49-M53 PolarHBondContact O-N 3.42Å; R49-M53 VanDerWaalsContact O-N 3.11Å; R49-S218 WeakPolarHBondContact CB-O 3.47Å; R49-S218 WeakPolarHBondContact CD-O 3.22Å; R49-E219 WeakPolarHBondContact CB-O 3.38Å
50	I	90.7	Very high	86.9	Confident	70 Å²	70	92.6 Å²	92.6	36%	0.359	46%	0.455	S	S	.	.	H	α-helix	trans	-73.4	-32.6	174.2	-60.2	-60.5	0	0	0	110.7	N47 P48 E219	N47-I50 HydrophobicContact CB-CG1 3.94Å; N47-I50 WeakPolarHBondContact O-CB 3.41Å; N47-I50 PolarHBondContact O-N 3.36Å; P48-I50 VanDerWaalsContact C-N 3.26Å; P48-I50 PolarHBondContact O-N 3.07Å; I50-E219 HydrophobicContact CD1-CG 4.17Å
51	I	87.7	Confident	86.9	Confident	85 Å²	85	85 Å²	85	44%	0.436	42%	0.415	S	S	.	.	H	α-helix	trans	-69.1	-42.5	175.3	-56.1	174.1	0	0	0	110.4	M43 L46 P48 M53	M43-I51 HydrophobicContact CE-CD1 3.71Å; M43-I51 HydrophobicContact CE-CG1 3.93Å; M43-I51 HydrophobicContact CE-CG2 4.35Å; L46-I51 HydrophobicContact CB-CD1 4.4Å; L46-I51 HydrophobicContact CD2-CD1 4.18Å; L46-I51 HydrophobicContact CD2-CG1 3.72Å; L46-I51 HydrophobicContact CG-CD1 4.43Å; L46-I51 HydrophobicContact CG-CG1 4.18Å; P48-I51 WeakPolarHBondContact O-CB 3.19Å; P48-I51 PolarHBondContact O-N 3.45Å; P48-I51 VanDerWaalsContact O-N 3.09Å; I51-M53 VanDerWaalsContact C-N 3.3Å; I51-M53 PolarHBondContact O-N 3.38Å
52	E	86.7	Confident	86.8	Confident	95 Å²	95	80.6 Å²	80.6	44%	0.444	39%	0.393	S	S	.	.	H	α-helix	trans	-68.6	-26.6	177.8	-70.9	171.9	-179	0	0	113.2	P48 R49 Q54	P48-E52 WeakPolarHBondContact O-CG 3.17Å; P48-E52 PolarHBondContact O-N 2.96Å; R49-E52 WeakPolarHBondContact CD-OE2 3.38Å; R49-E52 IonicContact CZ-OE2 2.7Å; R49-E52 IonicContact NH1-OE1 2.88Å; R49-E52 IonicContact NH1-OE2 3.09Å; R49-E52 PolarHBondContact NH1-OE2 3.01Å; E52-Q54 PolarHBondContact O-N 2.73Å
53	M	86.6	Confident	86.8	Confident	69 Å²	69	82.9 Å²	82.9	34%	0.34	40%	0.403	S	S	.	.			trans	-66.3	120.3	-174.5	-173.7	-178.1	68.2	0	0	111.5	R49 I51 A215 E219	R49-M53 WeakPolarHBondContact O-CB 3.32Å; R49-M53 PolarHBondContact O-N 3.42Å; R49-M53 VanDerWaalsContact O-N 3.11Å; I51-M53 VanDerWaalsContact C-N 3.3Å; I51-M53 PolarHBondContact O-N 3.38Å; M53-A215 HydrophobicContact CG-CB 3.85Å; M53-A215 HydrophobicContact SD-CB 4.18Å; M53-E219 HydrophobicContact SD-CB 4.14Å
54	Q	81	Confident	87	Confident	157 Å²	157	78.9 Å²	78.9	73%	0.734	38%	0.38	S	S	*	.			trans	-115.5	140.2	174.6	-64.4	179.8	-4.5	0	0	111	E52	E52-Q54 PolarHBondContact O-N 2.73Å
55	Y	78.6	Confident	87.2	Confident	78 Å²	78	70.5 Å²	70.5	31%	0.306	35%	0.349	S	S	.	.			trans	-132	87	175.2	-163.6	-98.5	0	0	0	110.7	V57 R58 Y210 P211 A215	Y55-V57 HydrophobicContact CD1-CB 4.3Å; Y55-V57 HydrophobicContact CE1-CB 3.9Å; Y55-V57 HydrophobicContact CE1-CG2 4.2Å; Y55-V57 PolarHBondContact O-N 3.03Å; Y55-R58 HydrophobicContact CD1-CB 4.24Å; Y55-R58 HydrophobicContact CD1-CG 4.06Å; Y55-R58 HydrophobicContact CE1-CG 4.28Å; Y55-R58 PolarHBondContact O-N 3.25Å; Y55-Y210 PolarHBondContact OH-OH 2.96Å; Y55-P211 HydrophobicContact CD2-CB 3.84Å; Y55-P211 HydrophobicContact CE2-CB 3.84Å; Y55-P211 HydrophobicContact CG-CB 4.46Å; Y55-A215 HydrophobicContact CD2-CB 4.02Å
56	A	70.5	Confident	87.2	Confident	26 Å²	26	67.9 Å²	67.9	22%	0.215	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-54.4	-30.5	-168.8	0	0	0	0	0	115.1	R58 G59 P211 I491 G495	A56-R58 PolarHBondContact O-N 2.84Å; A56-R58 VanDerWaalsContact O-N 3.13Å; A56-G59 PolarHBondContact O-N 2.91Å; A56-G59 VanDerWaalsContact O-N 3.17Å; A56-P211 HydrophobicContact CB-CG 4.4Å; A56-I491 HydrophobicContact CB-CG2 4.46Å; A56-G495 WeakPolarHBondContact CB-O 3.14Å
57	V	71.7	Confident	87.4	Confident	27 Å²	27	69.3 Å²	69.3	16%	0.164	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-69.9	-8.9	-178.6	-158.2	0	0	0	0	113.1	Y55 P211 R506	Y55-V57 HydrophobicContact CD1-CB 4.3Å; Y55-V57 HydrophobicContact CE1-CB 3.9Å; Y55-V57 HydrophobicContact CE1-CG2 4.2Å; Y55-V57 PolarHBondContact O-N 3.03Å; V57-P211 HydrophobicContact CG2-CB 4.31Å; V57-P211 HydrophobicContact CG2-CG 3.81Å; V57-R506 VanDerWaalsContact CG1-NH2 3.35Å
58	R	74.4	Confident	87.6	Confident	202 Å²	202	65.6 Å²	65.6	76%	0.762	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-123.3	25	174.1	-66.2	-172	175.1	-172.5	-0.6	112.5	Y55 A56	Y55-R58 HydrophobicContact CD1-CB 4.24Å; Y55-R58 HydrophobicContact CD1-CG 4.06Å; Y55-R58 HydrophobicContact CE1-CG 4.28Å; Y55-R58 PolarHBondContact O-N 3.25Å; A56-R58 PolarHBondContact O-N 2.84Å; A56-R58 VanDerWaalsContact O-N 3.13Å
59	G	82.1	Confident	87.7	Confident	18 Å²	18	64.2 Å²	64.2	19%	0.186	32%	0.315	C	S	.	.	S	Bend	trans	-78	-170	-176.2	0	0	0	0	0	115.7	A56 L61 V62 I63	A56-G59 PolarHBondContact O-N 2.91Å; A56-G59 VanDerWaalsContact O-N 3.17Å; G59-L61 VanDerWaalsContact C-N 3.3Å; G59-L61 PolarHBondContact O-N 3.41Å; G59-V62 PolarHBondContact O-N 2.73Å; G59-I63 PolarHBondContact O-N 3.36Å
60	P	87.4	Confident	87.9	Confident	82 Å²	82	66.1 Å²	66.1	53%	0.532	33%	0.325	S	S	.	.	H	α-helix	trans	-53.7	-37.8	-172.9	-28.3	34.9	0	0	0	115.1	V62 I63 R64 F476	P60-V62 VanDerWaalsContact C-N 3.32Å; P60-V62 PolarHBondContact O-N 2.86Å; P60-I63 PolarHBondContact O-N 3.45Å; P60-R64 WeakPolarHBondContact O-CB 3.01Å; P60-R64 PolarHBondContact O-N 2.92Å; P60-F476 HydrophobicContact CB-CE2 4.15Å; P60-F476 HydrophobicContact CB-CZ 4.04Å; P60-F476 HydrophobicContact CG-CE2 4.32Å; P60-F476 HydrophobicContact CG-CZ 4.42Å
61	L	90.6	Very high	88.2	Confident	5 Å²	5	64.8 Å²	64.8	3%	0.026	32%	0.318	C	S	.	.	H	α-helix	trans	-61	-39.3	177.4	-79.3	161	0	0	0	112.9	G59 R64 A65 F476 A479 M480 L483 P492	G59-L61 VanDerWaalsContact C-N 3.3Å; G59-L61 PolarHBondContact O-N 3.41Å; L61-R64 PolarHBondContact O-N 3.38Å; L61-A65 VanDerWaalsContact O-CB 3.26Å; L61-A65 WeakPolarHBondContact O-CB 3.4Å; L61-A65 PolarHBondContact O-N 3.36Å; L61-F476 HydrophobicContact CD1-CD2 4.1Å; L61-F476 HydrophobicContact CD1-CE2 4.12Å; L61-F476 HydrophobicContact CG-CE2 4.06Å; L61-A479 HydrophobicContact CD1-CB 3.74Å; L61-A479 HydrophobicContact CD2-CB 4.38Å; L61-M480 HydrophobicContact CD2-CB 4.11Å; L61-M480 HydrophobicContact CD2-CE 3.71Å; L61-M480 HydrophobicContact CD2-SD 3.78Å; L61-M480 HydrophobicContact CG-CE 3.99Å; L61-L483 HydrophobicContact CD2-CB 4.21Å; L61-L483 HydrophobicContact CD2-CD2 3.85Å; L61-L483 WeakPolarHBondContact O-CD2 3.35Å; L61-P492 HydrophobicContact CD1-CG 3.93Å
62	V	90.9	Very high	88.7	Confident	30 Å²	30	62.4 Å²	62.4	18%	0.182	31%	0.306	C	S	.	.	H	α-helix	trans	-73.3	-38.5	-178.9	-176.5	0	0	0	0	110.6	G59 P60 A65 A66 N87 I491	G59-V62 PolarHBondContact O-N 2.73Å; P60-V62 VanDerWaalsContact C-N 3.32Å; P60-V62 PolarHBondContact O-N 2.86Å; V62-A65 PolarHBondContact O-N 3.49Å; V62-A66 PolarHBondContact O-N 3.35Å; V62-A66 VanDerWaalsContact O-N 3.09Å; V62-N87 WeakPolarHBondContact CG2-ND2 3.45Å; V62-I491 HydrophobicContact CG2-CD1 3.76Å
63	I	92.8	Very high	89.1	Confident	98 Å²	98	66.2 Å²	66.2	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-60.8	-50.3	173.1	-62.9	171.2	0	0	0	109.1	G59 P60 A65 A66 E67	G59-I63 PolarHBondContact O-N 3.36Å; P60-I63 PolarHBondContact O-N 3.45Å; I63-A65 PolarHBondContact O-N 3.17Å; I63-A66 WeakPolarHBondContact O-CB 3.25Å; I63-A66 PolarHBondContact O-N 3.45Å; I63-A66 VanDerWaalsContact O-N 3.12Å; I63-E67 PolarHBondContact O-N 3.13Å
64	R	95.3	Very high	89.6	Confident	47 Å²	47	69.7 Å²	69.7	18%	0.177	34%	0.336	C	S	.	.	H	α-helix	trans	-62.9	-40.4	179.9	-175	60	-170.4	140.6	7.8	112.7	P60 L61 A66 E67 I68 E71 M480 L483 E484	P60-R64 WeakPolarHBondContact O-CB 3.01Å; P60-R64 PolarHBondContact O-N 2.92Å; L61-R64 PolarHBondContact O-N 3.38Å; R64-A66 VanDerWaalsContact C-N 3.29Å; R64-A66 PolarHBondContact O-N 2.89Å; R64-E67 VanDerWaalsContact CD-OE2 3.3Å; R64-E67 WeakPolarHBondContact CD-OE2 3.34Å; R64-E67 IonicContact CZ-OE2 3.25Å; R64-E67 IonicContact NH1-OE2 3.71Å; R64-E67 PolarHBondContact NH1-OE2 3.34Å; R64-E67 WeakPolarHBondContact O-CB 3.19Å; R64-E67 PolarHBondContact O-N 3.48Å; R64-E67 VanDerWaalsContact O-N 3.15Å; R64-I68 HydrophobicContact CG-CD1 4.09Å; R64-I68 HydrophobicContact CG-CG1 4.48Å; R64-I68 WeakPolarHBondContact O-CG1 3.29Å; R64-I68 PolarHBondContact O-N 2.87Å; R64-E71 IonicContact CZ-OE1 3.81Å; R64-E71 IonicContact NH1-OE1 3.94Å; R64-E71 PolarHBondContact NH1-OE1 3.39Å; R64-E71 IonicContact NH1-OE2 3.41Å; R64-E71 IonicContact NH2-OE1 3.74Å; R64-E71 PolarHBondContact NH2-OE1 3.38Å; R64-E71 IonicContact NH2-OE2 3.79Å; R64-E71 PolarHBondContact NH2-OE2 2.55Å; R64-M480 HydrophobicContact CG-SD 4.32Å; R64-L483 HydrophobicContact CB-CD2 4.02Å; R64-L483 HydrophobicContact CG-CD2 4Å; R64-E484 WeakPolarHBondContact CG-OE1 3Å; R64-E484 IonicContact CZ-OE1 3.98Å; R64-E484 IonicContact NE-OE1 3.95Å; R64-E484 PolarHBondContact NE-OE1 2.91Å; R64-E484 IonicContact NH2-OE1 3.35Å; R64-E484 PolarHBondContact NH2-OE1 2.91Å; R64-E484 IonicContact NH2-OE2 3.43Å
65	A	95.5	Very high	90.2	Very high	1 Å²	1	69.1 Å²	69.1	1%	0.008	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-40.1	174.5	0	0	0	0	0	111.9	L61 V62 I63 I68 E69 V83 L483 C489	L61-A65 VanDerWaalsContact O-CB 3.26Å; L61-A65 WeakPolarHBondContact O-CB 3.4Å; L61-A65 PolarHBondContact O-N 3.36Å; V62-A65 PolarHBondContact O-N 3.49Å; I63-A65 PolarHBondContact O-N 3.17Å; A65-I68 PolarHBondContact O-N 2.97Å; A65-E69 WeakPolarHBondContact O-CG 3.46Å; A65-E69 PolarHBondContact O-N 3.18Å; A65-E69 VanDerWaalsContact O-N 3.09Å; A65-V83 HydrophobicContact CB-CG1 4.06Å; A65-L483 HydrophobicContact CB-CD1 3.98Å; A65-L483 HydrophobicContact CB-CD2 4.15Å; A65-C489 HydrophobicContact CB-CB 4Å
66	A	95.5	Very high	91.1	Very high	31 Å²	31	68.5 Å²	68.5	26%	0.256	34%	0.342	S	S	.	.	H	α-helix	trans	-68.7	-34.1	175.1	0	0	0	0	0	113	V62 I63 R64 K70	V62-A66 PolarHBondContact O-N 3.35Å; V62-A66 VanDerWaalsContact O-N 3.09Å; I63-A66 WeakPolarHBondContact O-CB 3.25Å; I63-A66 PolarHBondContact O-N 3.45Å; I63-A66 VanDerWaalsContact O-N 3.12Å; R64-A66 VanDerWaalsContact C-N 3.29Å; R64-A66 PolarHBondContact O-N 2.89Å; A66-K70 WeakPolarHBondContact O-CG 3.38Å; A66-K70 PolarHBondContact O-N 2.96Å
67	E	97.2	Very high	92.3	Very high	80 Å²	80	77 Å²	77	37%	0.374	37%	0.374	S	S	.	.	H	α-helix	trans	-65.9	-46.6	171.8	-68.4	170.6	179.2	0	0	111.7	I63 R64 E69 K70 E71	I63-E67 PolarHBondContact O-N 3.13Å; R64-E67 VanDerWaalsContact CD-OE2 3.3Å; R64-E67 WeakPolarHBondContact CD-OE2 3.34Å; R64-E67 IonicContact CZ-OE2 3.25Å; R64-E67 IonicContact NH1-OE2 3.71Å; R64-E67 PolarHBondContact NH1-OE2 3.34Å; R64-E67 WeakPolarHBondContact O-CB 3.19Å; R64-E67 PolarHBondContact O-N 3.48Å; R64-E67 VanDerWaalsContact O-N 3.15Å; E67-E69 PolarHBondContact O-N 3.31Å; E67-K70 CarbonylContact O-C 3.47Å; E67-K70 WeakPolarHBondContact O-CA 3.49Å; E67-K70 WeakPolarHBondContact O-CB 3.3Å; E67-K70 PolarHBondContact O-N 3.45Å; E67-E71 WeakPolarHBondContact O-CG 3.33Å; E67-E71 PolarHBondContact O-N 3.38Å
68	I	97.4	Very high	93.4	Very high	0 Å²	0	78.2 Å²	78.2	0%	0	38%	0.378	C	S	.	.	H	α-helix	trans	-58.6	-38.5	177	-68.9	169.1	0	0	0	110.8	R64 A65 K70 E71 L72 F80 V83 L483	R64-I68 HydrophobicContact CG-CD1 4.09Å; R64-I68 HydrophobicContact CG-CG1 4.48Å; R64-I68 WeakPolarHBondContact O-CG1 3.29Å; R64-I68 PolarHBondContact O-N 2.87Å; A65-I68 PolarHBondContact O-N 2.97Å; I68-K70 VanDerWaalsContact C-N 3.34Å; I68-K70 PolarHBondContact O-N 2.91Å; I68-E71 WeakPolarHBondContact O-CB 3.39Å; I68-E71 PolarHBondContact O-N 3.01Å; I68-L72 HydrophobicContact CG2-CD1 4.14Å; I68-L72 HydrophobicContact CG2-CG 4.39Å; I68-L72 WeakPolarHBondContact O-CB 3.49Å; I68-L72 VanDerWaalsContact O-CG 3.31Å; I68-L72 WeakPolarHBondContact O-CG 3.2Å; I68-L72 PolarHBondContact O-N 3.37Å; I68-F80 HydrophobicContact CG2-CE2 3.61Å; I68-F80 HydrophobicContact CG2-CZ 3.82Å; I68-V83 HydrophobicContact CB-CG2 4.08Å; I68-V83 HydrophobicContact CG2-CG2 3.56Å; I68-L483 HydrophobicContact CD1-CD1 4.16Å; I68-L483 HydrophobicContact CD1-CD2 4.32Å; I68-L483 HydrophobicContact CD1-CG 3.89Å
69	E	96.3	Very high	94.3	Very high	49 Å²	49	73.7 Å²	73.7	23%	0.229	37%	0.374	C	S	.	.	H	α-helix	trans	-63.4	-37.6	173.4	-75.5	173.5	-178.8	0	0	113.1	A65 E67 K73 V83 R85	A65-E69 WeakPolarHBondContact O-CG 3.46Å; A65-E69 PolarHBondContact O-N 3.18Å; A65-E69 VanDerWaalsContact O-N 3.09Å; E67-E69 PolarHBondContact O-N 3.31Å; E69-K73 WeakPolarHBondContact O-CG 3.27Å; E69-K73 PolarHBondContact O-N 2.77Å; E69-K73 VanDerWaalsContact O-N 3.09Å; E69-V83 HydrophobicContact CG-CB 3.76Å; E69-V83 HydrophobicContact CG-CG1 4.4Å; E69-V83 HydrophobicContact CG-CG2 3.77Å; E69-R85 IonicContact OE1-CZ 3.26Å; E69-R85 VanDerWaalsContact OE1-CZ 3.29Å; E69-R85 IonicContact OE1-NE 2.87Å; E69-R85 PolarHBondContact OE1-NE 2.86Å; E69-R85 IonicContact OE1-NH2 2.67Å; E69-R85 PolarHBondContact OE1-NH2 3.47Å; E69-R85 IonicContact OE2-CZ 2.68Å; E69-R85 VanDerWaalsContact OE2-CZ 3.32Å; E69-R85 IonicContact OE2-NE 3.71Å; E69-R85 IonicContact OE2-NH2 3.13Å; E69-R85 PolarHBondContact OE2-NH2 3.37Å
70	K	97.1	Very high	95	Very high	138 Å²	138	73.5 Å²	73.5	60%	0.6	37%	0.368	S	S	*	.	H	α-helix	trans	-67.2	-43.5	173.9	-67.9	172.6	-176.6	177.4	0	110.8	A66 E67 I68 L72 K73 Q74	A66-K70 WeakPolarHBondContact O-CG 3.38Å; A66-K70 PolarHBondContact O-N 2.96Å; E67-K70 CarbonylContact O-C 3.47Å; E67-K70 WeakPolarHBondContact O-CA 3.49Å; E67-K70 WeakPolarHBondContact O-CB 3.3Å; E67-K70 PolarHBondContact O-N 3.45Å; I68-K70 VanDerWaalsContact C-N 3.34Å; I68-K70 PolarHBondContact O-N 2.91Å; K70-L72 PolarHBondContact O-N 3.03Å; K70-K73 PolarHBondContact O-N 3.2Å; K70-Q74 WeakPolarHBondContact O-CG 3.31Å; K70-Q74 PolarHBondContact O-N 3.1Å
71	E	98.1	Very high	95.3	Very high	42 Å²	42	79.1 Å²	79.1	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-57.7	-46.9	175.3	-71.9	172.5	-168.2	0	0	111	R64 E67 I68 K73 Q74 N75 V76 K78	R64-E71 IonicContact CZ-OE1 3.81Å; R64-E71 IonicContact NH1-OE1 3.94Å; R64-E71 PolarHBondContact NH1-OE1 3.39Å; R64-E71 IonicContact NH1-OE2 3.41Å; R64-E71 IonicContact NH2-OE1 3.74Å; R64-E71 PolarHBondContact NH2-OE1 3.38Å; R64-E71 IonicContact NH2-OE2 3.79Å; R64-E71 PolarHBondContact NH2-OE2 2.55Å; E67-E71 WeakPolarHBondContact O-CG 3.33Å; E67-E71 PolarHBondContact O-N 3.38Å; I68-E71 WeakPolarHBondContact O-CB 3.39Å; I68-E71 PolarHBondContact O-N 3.01Å; E71-K73 PolarHBondContact O-N 3.25Å; E71-Q74 CarbonylContact O-C 3.29Å; E71-Q74 WeakPolarHBondContact O-CA 3.4Å; E71-Q74 WeakPolarHBondContact O-CB 3.41Å; E71-Q74 PolarHBondContact O-N 2.99Å; E71-N75 PolarHBondContact O-N 2.89Å; E71-V76 HydrophobicContact CB-CB 3.87Å; E71-V76 HydrophobicContact CB-CG1 4.28Å; E71-V76 HydrophobicContact CB-CG2 4.01Å; E71-V76 HydrophobicContact CG-CG2 4.44Å; E71-V76 VanDerWaalsContact O-CB 3.29Å; E71-V76 WeakPolarHBondContact O-CB 3.37Å; E71-V76 WeakPolarHBondContact O-CG2 3.2Å; E71-V76 PolarHBondContact O-N 3.27Å; E71-K78 WeakPolarHBondContact OE2-CE 3.38Å; E71-K78 IonicContact OE2-NZ 2.72Å; E71-K78 PolarHBondContact OE2-NZ 3.11Å
72	L	96.9	Very high	95.5	Very high	36 Å²	36	81.2 Å²	81.2	19%	0.188	40%	0.4	C	S	.	.	H	α-helix	trans	-61.7	-40.9	176.7	-75.1	171	0	0	0	112.3	I68 K70 Q74 N75 K78 F80 V83	I68-L72 HydrophobicContact CG2-CD1 4.14Å; I68-L72 HydrophobicContact CG2-CG 4.39Å; I68-L72 WeakPolarHBondContact O-CB 3.49Å; I68-L72 VanDerWaalsContact O-CG 3.31Å; I68-L72 WeakPolarHBondContact O-CG 3.2Å; I68-L72 PolarHBondContact O-N 3.37Å; K70-L72 PolarHBondContact O-N 3.03Å; L72-Q74 PolarHBondContact O-N 3.47Å; L72-N75 PolarHBondContact O-N 3.22Å; L72-K78 HydrophobicContact CD2-CB 3.93Å; L72-K78 HydrophobicContact CD2-CG 3.88Å; L72-K78 HydrophobicContact CG-CG 4.36Å; L72-F80 HydrophobicContact CD1-CD2 4.37Å; L72-F80 HydrophobicContact CD1-CE2 4.19Å; L72-V83 HydrophobicContact CD1-CG2 4.27Å
73	K	96	Very high	95.8	Very high	174 Å²	174	80.7 Å²	80.7	76%	0.757	40%	0.397	S	S	*	.	H	α-helix	trans	-64.3	-26.3	173.9	-74	173.7	-179.1	-179.9	0	112.9	E69 K70 E71 N75	E69-K73 WeakPolarHBondContact O-CG 3.27Å; E69-K73 PolarHBondContact O-N 2.77Å; E69-K73 VanDerWaalsContact O-N 3.09Å; K70-K73 PolarHBondContact O-N 3.2Å; E71-K73 PolarHBondContact O-N 3.25Å; K73-N75 VanDerWaalsContact C-N 3.27Å
74	Q	96.6	Very high	95.8	Very high	142 Å²	142	76.4 Å²	76.4	66%	0.664	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	11.4	174.1	-67.4	172.5	-14.1	0	0	112.7	K70 E71 L72 V76	K70-Q74 WeakPolarHBondContact O-CG 3.31Å; K70-Q74 PolarHBondContact O-N 3.1Å; E71-Q74 CarbonylContact O-C 3.29Å; E71-Q74 WeakPolarHBondContact O-CA 3.4Å; E71-Q74 WeakPolarHBondContact O-CB 3.41Å; E71-Q74 PolarHBondContact O-N 2.99Å; L72-Q74 PolarHBondContact O-N 3.47Å; Q74-V76 HydrophobicContact CB-CG2 4.4Å; Q74-V76 PolarHBondContact O-N 3.19Å
75	N	94.5	Very high	95.7	Very high	146 Å²	146	77.6 Å²	77.6	78%	0.781	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	22.8	-178.4	-56.1	-60.6	0	0	0	114.7	E71 L72 K73 K77	E71-N75 PolarHBondContact O-N 2.89Å; L72-N75 PolarHBondContact O-N 3.22Å; K73-N75 VanDerWaalsContact C-N 3.27Å; N75-K77 PolarHBondContact O-N 3.12Å
76	V	96.4	Very high	95.6	Very high	64 Å²	64	77.5 Å²	77.5	39%	0.388	38%	0.378	S	S	.	.			trans	-64.3	124.8	169.6	178.2	0	0	0	0	108.2	E71 Q74 K78	E71-V76 HydrophobicContact CB-CB 3.87Å; E71-V76 HydrophobicContact CB-CG1 4.28Å; E71-V76 HydrophobicContact CB-CG2 4.01Å; E71-V76 HydrophobicContact CG-CG2 4.44Å; E71-V76 VanDerWaalsContact O-CB 3.29Å; E71-V76 WeakPolarHBondContact O-CB 3.37Å; E71-V76 WeakPolarHBondContact O-CG2 3.2Å; E71-V76 PolarHBondContact O-N 3.27Å; Q74-V76 HydrophobicContact CB-CG2 4.4Å; Q74-V76 PolarHBondContact O-N 3.19Å; V76-K78 PolarHBondContact O-N 2.89Å
77	K	94.7	Very high	95.4	Very high	205 Å²	205	76.3 Å²	76.3	89%	0.891	37%	0.367	S	S	*	.			trans	-66.8	128.1	-177.7	-66.7	-175.3	179.9	-179.9	0	110.8	N75	N75-K77 PolarHBondContact O-N 3.12Å
78	K	95.9	Very high	94.8	Very high	53 Å²	53	74.2 Å²	74.2	23%	0.23	36%	0.358	C	S	.	.			trans	-129.4	158.3	172.8	-67.2	-67.1	-176.8	173.2	0	109.8	E71 L72 V76 F80 E484	E71-K78 WeakPolarHBondContact OE2-CE 3.38Å; E71-K78 IonicContact OE2-NZ 2.72Å; E71-K78 PolarHBondContact OE2-NZ 3.11Å; L72-K78 HydrophobicContact CD2-CB 3.93Å; L72-K78 HydrophobicContact CD2-CG 3.88Å; L72-K78 HydrophobicContact CG-CG 4.36Å; V76-K78 PolarHBondContact O-N 2.89Å; K78-F80 HydrophobicContact CB-CD1 4.47Å; K78-F80 HydrophobicContact CB-CD2 4.3Å; K78-F80 HydrophobicContact CB-CE1 4.27Å; K78-F80 HydrophobicContact CB-CE2 4.09Å; K78-F80 HydrophobicContact CB-CG 4.5Å; K78-F80 HydrophobicContact CB-CZ 4.09Å; K78-F80 HydrophobicContact CD-CZ 4.35Å; K78-F80 HydrophobicContact CG-CE2 4.37Å; K78-F80 HydrophobicContact CG-CZ 4.29Å; K78-F80 PolarHBondContact O-N 3.25Å; K78-E484 IonicContact NZ-OE2 2.76Å
79	P	94	Very high	94.3	Very high	106 Å²	106	75 Å²	75	69%	0.688	37%	0.367	S	S	*	.	S	Bend	trans	-68.7	2.4	176.4	25.3	-30.5	0	0	0	114.2	S485	P79-S485 WeakPolarHBondContact CG-O 3.4Å
80	F	95.9	Very high	94.1	Very high	15 Å²	15	75.2 Å²	75.2	7%	0.066	37%	0.369	C	S	.	.	S	Bend	trans	-142.9	161.2	179.4	48.3	-91.7	0	0	0	110	I68 L72 K78 S82 V83 E484 T486 G487	I68-F80 HydrophobicContact CG2-CE2 3.61Å; I68-F80 HydrophobicContact CG2-CZ 3.82Å; L72-F80 HydrophobicContact CD1-CD2 4.37Å; L72-F80 HydrophobicContact CD1-CE2 4.19Å; K78-F80 HydrophobicContact CB-CD1 4.47Å; K78-F80 HydrophobicContact CB-CD2 4.3Å; K78-F80 HydrophobicContact CB-CE1 4.27Å; K78-F80 HydrophobicContact CB-CE2 4.09Å; K78-F80 HydrophobicContact CB-CG 4.5Å; K78-F80 HydrophobicContact CB-CZ 4.09Å; K78-F80 HydrophobicContact CD-CZ 4.35Å; K78-F80 HydrophobicContact CG-CE2 4.37Å; K78-F80 HydrophobicContact CG-CZ 4.29Å; K78-F80 PolarHBondContact O-N 3.25Å; F80-S82 WeakPolarHBondContact CD2-O 3.41Å; F80-V83 HydrophobicContact CE2-CG2 4.33Å; F80-E484 WeakPolarHBondContact CE1-O 3.2Å; F80-T486 WeakPolarHBondContact CB-O 3.29Å; F80-T486 VanDerWaalsContact CG-O 3.31Å; F80-T486 WeakPolarHBondContact CG-O 3.46Å; F80-G487 VanDerWaalsContact CD1-N 3.27Å; F80-G487 VanDerWaalsContact CE2-CA 3.41Å; F80-G487 VanDerWaalsContact CZ-CA 3.47Å
81	K	93.8	Very high	93.9	Very high	199 Å²	199	68.8 Å²	68.8	87%	0.865	34%	0.342	S	S	*	.	S	Bend	trans	-94.3	-18.4	-174.9	-64.5	178.8	-178.8	178.3	0	114.2
82	S	95.1	Very high	93.7	Very high	50 Å²	50	69.3 Å²	69.3	35%	0.35	34%	0.344	S	S	.	.	S	Bend	trans	-154	152.7	-172.8	57.2	0	0	0	0	111	F80 R522	F80-S82 WeakPolarHBondContact CD2-O 3.41Å; S82-R522 PolarHBondContact O-NH1 3.26Å; S82-R522 PolarHBondContact OG-NH2 3.02Å
83	V	95.9	Very high	93.3	Very high	19 Å²	19	70.2 Å²	70.2	12%	0.115	36%	0.357	C	S	.	.			trans	-87	132	168.4	172.8	0	0	0	0	109	A65 I68 E69 L72 F80 R85 G487 C489	A65-V83 HydrophobicContact CB-CG1 4.06Å; I68-V83 HydrophobicContact CB-CG2 4.08Å; I68-V83 HydrophobicContact CG2-CG2 3.56Å; E69-V83 HydrophobicContact CG-CB 3.76Å; E69-V83 HydrophobicContact CG-CG1 4.4Å; E69-V83 HydrophobicContact CG-CG2 3.77Å; L72-V83 HydrophobicContact CD1-CG2 4.27Å; F80-V83 HydrophobicContact CE2-CG2 4.33Å; V83-R85 HydrophobicContact CG1-CG 4.05Å; V83-G487 CarbonylContact C-O 3.52Å; V83-G487 WeakPolarHBondContact CA-O 3.35Å; V83-G487 WeakPolarHBondContact CG1-O 3.31Å; V83-C489 HydrophobicContact CG1-CB 4.48Å
84	I	94.8	Very high	92.9	Very high	7 Å²	7	63 Å²	63	4%	0.036	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-103.3	109.5	174.9	-57.5	176.5	0	0	0	108.4	V86 G487 V488 C489 V515 D518 F519	I84-V86 HydrophobicContact CG2-CG1 3.66Å; I84-V86 PolarHBondContact O-N 3.26Å; I84-V86 VanDerWaalsContact O-N 3.13Å; I84-G487 PolarHBondContact N-O 3.22Å; I84-V488 HydrophobicContact CD1-CG2 4.45Å; I84-C489 PolarHBondContact O-N 3.22Å; I84-V515 HydrophobicContact CG2-CG1 3.66Å; I84-D518 HydrophobicContact CD1-CB 4.1Å; I84-F519 HydrophobicContact CD1-CB 4.32Å; I84-F519 HydrophobicContact CG2-CB 4.27Å
85	R	91.8	Very high	92.5	Very high	72 Å²	72	63.3 Å²	63.3	27%	0.272	33%	0.328	S	S	.	.			trans	-88.4	63.4	-175.6	-64.2	-167.6	176.4	-166.8	-9.2	113.3	E69 V83 N87 I88 M94	E69-R85 IonicContact OE1-CZ 3.26Å; E69-R85 VanDerWaalsContact OE1-CZ 3.29Å; E69-R85 IonicContact OE1-NE 2.87Å; E69-R85 PolarHBondContact OE1-NE 2.86Å; E69-R85 IonicContact OE1-NH2 2.67Å; E69-R85 PolarHBondContact OE1-NH2 3.47Å; E69-R85 IonicContact OE2-CZ 2.68Å; E69-R85 VanDerWaalsContact OE2-CZ 3.32Å; E69-R85 IonicContact OE2-NE 3.71Å; E69-R85 IonicContact OE2-NH2 3.13Å; E69-R85 PolarHBondContact OE2-NH2 3.37Å; V83-R85 HydrophobicContact CG1-CG 4.05Å; R85-N87 WeakPolarHBondContact CA-OD1 3.33Å; R85-N87 WeakPolarHBondContact CB-OD1 3.23Å; R85-N87 PolarHBondContact O-N 3.45Å; R85-N87 VanDerWaalsContact O-N 3.15Å; R85-I88 HydrophobicContact CB-CD1 3.74Å; R85-I88 HydrophobicContact CB-CG1 4.1Å; R85-I88 VanDerWaalsContact CD-CD1 3.44Å; R85-I88 HydrophobicContact CG-CD1 4.27Å; R85-I88 PolarHBondContact O-N 2.86Å; R85-M94 HydrophobicContact CB-CE 4.27Å
86	V	93.7	Very high	92.3	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	3	175.8	-68.6	0	0	0	0	113.6	I84 V488 C489 V490 T507 T508 P511 F519	I84-V86 HydrophobicContact CG2-CG1 3.66Å; I84-V86 PolarHBondContact O-N 3.26Å; I84-V86 VanDerWaalsContact O-N 3.13Å; V86-V488 HydrophobicContact CG2-CG1 3.93Å; V86-C489 CarbonylContact C-O 3.51Å; V86-C489 VanDerWaalsContact CG2-O 3.27Å; V86-C489 WeakPolarHBondContact CG2-O 3.4Å; V86-C489 PolarHBondContact N-O 3.01Å; V86-V490 HydrophobicContact CG2-CG1 3.73Å; V86-T507 WeakPolarHBondContact CB-OG1 3.39Å; V86-T507 CarbonylContact O-C 3.6Å; V86-T507 WeakPolarHBondContact O-CA 3.36Å; V86-T508 HydrophobicContact CB-CG2 4.44Å; V86-T508 WeakPolarHBondContact O-CG2 3.28Å; V86-T508 PolarHBondContact O-N 2.99Å; V86-P511 HydrophobicContact CG1-CG 3.83Å; V86-F519 HydrophobicContact CB-CE1 4.49Å; V86-F519 HydrophobicContact CG1-CB 4.36Å; V86-F519 HydrophobicContact CG1-CD1 3.75Å; V86-F519 HydrophobicContact CG1-CD2 4.36Å; V86-F519 HydrophobicContact CG1-CE1 4.11Å; V86-F519 HydrophobicContact CG1-CG 3.89Å; V86-F519 HydrophobicContact CG2-CD2 4.34Å; V86-F519 HydrophobicContact CG2-CE1 4.44Å; V86-F519 HydrophobicContact CG2-CE2 4.1Å; V86-F519 HydrophobicContact CG2-CZ 4.15Å
87	N	90.4	Very high	92	Very high	5 Å²	5	57.9 Å²	57.9	3%	0.027	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-17.9	170.7	61.8	-51.2	0	0	0	114.2	V62 R85 C489 I491 R506	V62-N87 WeakPolarHBondContact CG2-ND2 3.45Å; R85-N87 WeakPolarHBondContact CA-OD1 3.33Å; R85-N87 WeakPolarHBondContact CB-OD1 3.23Å; R85-N87 PolarHBondContact O-N 3.45Å; R85-N87 VanDerWaalsContact O-N 3.15Å; N87-C489 WeakPolarHBondContact CB-O 3.45Å; N87-C489 PolarHBondContact N-O 3.01Å; N87-C489 PolarHBondContact OD1-O 2.69Å; N87-I491 HydrophobicContact CB-CD1 3.64Å; N87-I491 HydrophobicContact CB-CG1 3.67Å; N87-R506 PolarHBondContact O-NH2 2.64Å
88	I	86.1	Confident	91.9	Very high	36 Å²	36	50 Å²	50	19%	0.185	26%	0.264	C	S	.	.			trans	-81.8	140.3	-169.5	-73.2	-179	0	0	0	112	R85 D90 A93 M94 T508	R85-I88 HydrophobicContact CB-CD1 3.74Å; R85-I88 HydrophobicContact CB-CG1 4.1Å; R85-I88 VanDerWaalsContact CD-CD1 3.44Å; R85-I88 HydrophobicContact CG-CD1 4.27Å; R85-I88 PolarHBondContact O-N 2.86Å; I88-D90 HydrophobicContact CG2-CB 3.59Å; I88-D90 VanDerWaalsContact CG2-N 3.32Å; I88-A93 HydrophobicContact CG2-CB 4.37Å; I88-M94 HydrophobicContact CB-CE 3.95Å; I88-M94 HydrophobicContact CD1-CE 4.26Å; I88-M94 HydrophobicContact CG2-CE 4.03Å; I88-T508 WeakPolarHBondContact O-CB 3.32Å; I88-T508 WeakPolarHBondContact O-CG2 3.47Å; I88-T508 PolarHBondContact O-OG1 3.07Å
89	G	87.2	Confident	91.8	Very high	17 Å²	17	47.5 Å²	47.5	18%	0.175	25%	0.254	C	S	.	.			trans	-109.2	23.9	176.9	0	0	0	0	0	114.6	K334 Y449	G89-K334 PolarHBondContact O-NZ 2.91Å; G89-Y449 WeakPolarHBondContact CA-OH 3.41Å
90	D	92.1	Very high	91.8	Very high	53 Å²	53	44.4 Å²	44.4	28%	0.283	23%	0.232	S	C	.	.			trans	-103	108.5	-179.8	-179.8	-25.6	0	0	0	107.6	I88 H92 A93 M94	I88-D90 HydrophobicContact CG2-CB 3.59Å; I88-D90 VanDerWaalsContact CG2-N 3.32Å; D90-H92 VanDerWaalsContact C-N 3.32Å; D90-H92 PolarHBondContact O-N 3.21Å; D90-H92 PolarHBondContact OD1-N 3.32Å; D90-H92 VanDerWaalsContact OD1-N 3.07Å; D90-A93 HydrophobicContact CB-CB 3.79Å; D90-A93 PolarHBondContact O-N 3.24Å; D90-A93 PolarHBondContact OD1-N 3.26Å; D90-M94 WeakPolarHBondContact O-CG 3.43Å; D90-M94 PolarHBondContact O-N 3.31Å
91	A	92.8	Very high	91.8	Very high	3 Å²	3	44 Å²	44	3%	0.025	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-38.1	-174.8	0	0	0	0	0	111.9	M94 Q95 Q96 L510	A91-M94 CarbonylContact O-C 3.57Å; A91-M94 VanDerWaalsContact O-C 3.24Å; A91-M94 WeakPolarHBondContact O-CA 3.24Å; A91-M94 PolarHBondContact O-N 3.35Å; A91-M94 VanDerWaalsContact O-N 3.15Å; A91-Q95 PolarHBondContact O-N 2.71Å; A91-Q96 HydrophobicContact CB-CB 3.89Å; A91-Q96 HydrophobicContact CB-CG 4.39Å; A91-Q96 VanDerWaalsContact O-CB 3.23Å; A91-Q96 WeakPolarHBondContact O-CB 3.49Å; A91-Q96 PolarHBondContact O-N 3.41Å; A91-L510 HydrophobicContact CB-CD2 4.31Å
92	H	92.6	Very high	92	Very high	53 Å²	53	34.6 Å²	34.6	25%	0.245	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-39.6	179.2	-65.6	-48.9	0	0	0	111.9	D90 M94 Q95 Q96 R103 G338 E339	D90-H92 VanDerWaalsContact C-N 3.32Å; D90-H92 PolarHBondContact O-N 3.21Å; D90-H92 PolarHBondContact OD1-N 3.32Å; D90-H92 VanDerWaalsContact OD1-N 3.07Å; H92-M94 PolarHBondContact O-N 3.49Å; H92-M94 VanDerWaalsContact O-N 3.16Å; H92-Q95 PolarHBondContact O-N 3.47Å; H92-Q96 PolarHBondContact ND1-O 3.25Å; H92-R103 PolarHBondContact NE2-NH2 3.08Å; H92-G338 PolarHBondContact CD2-O 3.37Å; H92-G338 PolarHBondContact NE2-O 3.09Å; H92-E339 IonicContact NE2-OE1 2.84Å; H92-E339 IonicContact NE2-OE2 2.81Å
93	A	88.1	Confident	92.1	Very high	55 Å²	55	36.1 Å²	36.1	46%	0.455	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-21.8	171.2	0	0	0	0	0	112.4	I88 D90	I88-A93 HydrophobicContact CG2-CB 4.37Å; D90-A93 HydrophobicContact CB-CB 3.79Å; D90-A93 PolarHBondContact O-N 3.24Å; D90-A93 PolarHBondContact OD1-N 3.26Å
94	M	88.7	Confident	92.1	Very high	24 Å²	24	37 Å²	37	12%	0.118	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	22.2	173.5	-63.1	-67.5	124.2	0	0	113.2	R85 I88 D90 A91 H92 Q96 L510 P511	R85-M94 HydrophobicContact CB-CE 4.27Å; I88-M94 HydrophobicContact CB-CE 3.95Å; I88-M94 HydrophobicContact CD1-CE 4.26Å; I88-M94 HydrophobicContact CG2-CE 4.03Å; D90-M94 WeakPolarHBondContact O-CG 3.43Å; D90-M94 PolarHBondContact O-N 3.31Å; A91-M94 CarbonylContact O-C 3.57Å; A91-M94 VanDerWaalsContact O-C 3.24Å; A91-M94 WeakPolarHBondContact O-CA 3.24Å; A91-M94 PolarHBondContact O-N 3.35Å; A91-M94 VanDerWaalsContact O-N 3.15Å; H92-M94 PolarHBondContact O-N 3.49Å; H92-M94 VanDerWaalsContact O-N 3.16Å; M94-Q96 VanDerWaalsContact C-N 3.33Å; M94-Q96 PolarHBondContact O-N 2.68Å; M94-L510 HydrophobicContact CB-CB 3.63Å; M94-L510 HydrophobicContact CG-CB 3.76Å; M94-L510 HydrophobicContact CG-CD1 4.26Å; M94-P511 HydrophobicContact SD-CG 4.31Å
95	Q	87.9	Confident	92.3	Very high	148 Å²	148	36.7 Å²	36.7	69%	0.692	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	18.8	171.6	-49.9	175.7	16.5	0	0	115.8	A91 H92 H97	A91-Q95 PolarHBondContact O-N 2.71Å; H92-Q95 PolarHBondContact O-N 3.47Å; Q95-H97 PolarHBondContact O-N 2.89Å
96	Q	90.1	Very high	92.6	Very high	28 Å²	28	34.2 Å²	34.2	13%	0.131	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-65.6	125.2	164.1	-172	173.9	-65.4	0	0	109.1	A91 H92 M94 Y336 V418	A91-Q96 HydrophobicContact CB-CB 3.89Å; A91-Q96 HydrophobicContact CB-CG 4.39Å; A91-Q96 VanDerWaalsContact O-CB 3.23Å; A91-Q96 WeakPolarHBondContact O-CB 3.49Å; A91-Q96 PolarHBondContact O-N 3.41Å; H92-Q96 PolarHBondContact ND1-O 3.25Å; M94-Q96 VanDerWaalsContact C-N 3.33Å; M94-Q96 PolarHBondContact O-N 2.68Å; Q96-Y336 PolarHBondContact NE2-O 3.34Å; Q96-V418 HydrophobicContact CG-CG1 4.06Å; Q96-V418 HydrophobicContact CG-CG2 4.05Å
97	H	89.9	Confident	92.9	Very high	67 Å²	67	35.6 Å²	35.6	31%	0.31	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-65.3	155	174.3	65.1	83.8	0	0	0	110.6	Q95	Q95-H97 PolarHBondContact O-N 2.89Å
98	S	92.8	Very high	93.2	Very high	41 Å²	41	35.4 Å²	35.4	29%	0.287	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-73.9	158.7	174.1	53.4	0	0	0	0	112.1
99	I	93.6	Very high	93.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-81.6	121.3	168.4	-54.7	-56.1	0	0	0	108.7	F101 I102 R103 Y336 F395 E414	I99-F101 PolarHBondContact O-N 3.48Å; I99-I102 HydrophobicContact CB-CB 4.5Å; I99-I102 HydrophobicContact CB-CD1 3.91Å; I99-I102 HydrophobicContact CB-CG1 4.03Å; I99-I102 HydrophobicContact CG1-CD1 4.28Å; I99-I102 HydrophobicContact CG2-CD1 4.29Å; I99-I102 HydrophobicContact CG2-CG1 4.07Å; I99-I102 PolarHBondContact O-N 3.27Å; I99-R103 PolarHBondContact O-N 2.83Å; I99-Y336 HydrophobicContact CD1-CD2 3.98Å; I99-Y336 HydrophobicContact CG1-CD2 4.01Å; I99-Y336 HydrophobicContact CG1-CE2 4.35Å; I99-F395 HydrophobicContact CG2-CD2 3.84Å; I99-F395 HydrophobicContact CG2-CE2 4.04Å; I99-E414 WeakPolarHBondContact CA-OE2 3.39Å; I99-E414 HydrophobicContact CD1-CB 3.78Å; I99-E414 WeakPolarHBondContact CG2-OE2 3.24Å
100	T	95.2	Very high	94.3	Very high	40 Å²	40	36.3 Å²	36.3	25%	0.245	20%	0.196	C	C	.	.	H	α-helix	trans	-59.4	-44.2	-172.8	-69.1	0	0	0	0	111.8	I102 R103 Q104 L394 E414	T100-I102 PolarHBondContact O-N 3.31Å; T100-R103 PolarHBondContact O-N 3.41Å; T100-R103 VanDerWaalsContact O-N 3.11Å; T100-Q104 HydrophobicContact CG2-CG 3.96Å; T100-Q104 WeakPolarHBondContact O-CG 3.46Å; T100-Q104 PolarHBondContact O-N 3.49Å; T100-L394 HydrophobicContact CG2-CD2 3.75Å; T100-E414 WeakPolarHBondContact CB-OE1 3.43Å; T100-E414 PolarHBondContact N-OE1 3.29Å; T100-E414 PolarHBondContact N-OE2 3.41Å; T100-E414 PolarHBondContact OG1-OE1 2.71Å
101	F	96.1	Very high	94.6	Very high	6 Å²	6	40.5 Å²	40.5	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-45.7	-179.3	-177.2	-104.8	0	0	0	112.4	I99 R103 Q104 V105 V124 R127 C380 P385	I99-F101 PolarHBondContact O-N 3.48Å; F101-R103 VanDerWaalsContact C-N 3.31Å; F101-R103 PolarHBondContact O-N 3.36Å; F101-Q104 PolarHBondContact O-N 3.3Å; F101-V105 HydrophobicContact CD1-CG2 4.36Å; F101-V105 HydrophobicContact CD2-CG2 4.32Å; F101-V105 HydrophobicContact CE1-CG2 4.01Å; F101-V105 HydrophobicContact CE2-CG2 3.96Å; F101-V105 HydrophobicContact CZ-CG2 3.8Å; F101-V105 WeakPolarHBondContact O-CG2 3.28Å; F101-V105 PolarHBondContact O-N 3.37Å; F101-V124 HydrophobicContact CD2-CG2 3.62Å; F101-V124 HydrophobicContact CE2-CG2 3.69Å; F101-R127 HydrophobicContact CZ-CB 4.49Å; F101-R127 HydrophobicContact CZ-CG 4.35Å; F101-C380 HydrophobicContact CD1-CB 4.18Å; F101-C380 HydrophobicContact CE1-CB 4.19Å; F101-P385 HydrophobicContact CB-CG 4.1Å; F101-P385 HydrophobicContact CD1-CG 3.8Å; F101-P385 HydrophobicContact CD2-CG 3.47Å; F101-P385 VanDerWaalsContact CD2-CG 3.47Å; F101-P385 HydrophobicContact CE1-CG 4.03Å; F101-P385 HydrophobicContact CE2-CG 3.71Å; F101-P385 HydrophobicContact CG-CG 3.5Å; F101-P385 HydrophobicContact CZ-CG 3.98Å
102	I	97.2	Very high	94.7	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-59.3	-45.3	177.5	-57.2	-178.9	0	0	0	109.9	I99 T100 I106 M337 E339 A377 C380 V381	I99-I102 HydrophobicContact CB-CB 4.5Å; I99-I102 HydrophobicContact CB-CD1 3.91Å; I99-I102 HydrophobicContact CB-CG1 4.03Å; I99-I102 HydrophobicContact CG1-CD1 4.28Å; I99-I102 HydrophobicContact CG2-CD1 4.29Å; I99-I102 HydrophobicContact CG2-CG1 4.07Å; I99-I102 PolarHBondContact O-N 3.27Å; T100-I102 PolarHBondContact O-N 3.31Å; I102-I106 HydrophobicContact CG2-CD1 3.79Å; I102-I106 WeakPolarHBondContact O-CB 3.43Å; I102-I106 WeakPolarHBondContact O-CD1 3.28Å; I102-I106 VanDerWaalsContact O-CG1 3.24Å; I102-I106 WeakPolarHBondContact O-CG1 3.5Å; I102-I106 PolarHBondContact O-N 3.15Å; I102-I106 VanDerWaalsContact O-N 3.09Å; I102-M337 HydrophobicContact CD1-CB 4.46Å; I102-E339 HydrophobicContact CD1-CG 4.37Å; I102-E339 HydrophobicContact CG2-CG 4.32Å; I102-A377 HydrophobicContact CG2-CB 4.5Å; I102-C380 HydrophobicContact CB-CB 4.39Å; I102-C380 HydrophobicContact CG1-CB 3.83Å; I102-V381 HydrophobicContact CD1-CG2 4.14Å
103	R	96.5	Very high	94.9	Very high	82 Å²	82	44.2 Å²	44.2	31%	0.309	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-43.8	-179.8	-64.8	-60.1	-173.9	-142.4	-10	112.6	H92 I99 T100 F101 I106 A107 E339	H92-R103 PolarHBondContact NE2-NH2 3.08Å; I99-R103 PolarHBondContact O-N 2.83Å; T100-R103 PolarHBondContact O-N 3.41Å; T100-R103 VanDerWaalsContact O-N 3.11Å; F101-R103 VanDerWaalsContact C-N 3.31Å; F101-R103 PolarHBondContact O-N 3.36Å; R103-I106 PolarHBondContact O-N 3.26Å; R103-A107 VanDerWaalsContact O-CB 3.27Å; R103-A107 WeakPolarHBondContact O-CB 3.38Å; R103-A107 PolarHBondContact O-N 3.03Å; R103-E339 VanDerWaalsContact CZ-CD 3.49Å; R103-E339 IonicContact CZ-OE1 3.78Å; R103-E339 IonicContact CZ-OE2 3.57Å; R103-E339 IonicContact NE-OE1 2.85Å; R103-E339 VanDerWaalsContact NH1-CD 3.33Å; R103-E339 IonicContact NH1-OE1 2.72Å; R103-E339 PolarHBondContact NH1-OE1 3.43Å; R103-E339 IonicContact NH1-OE2 3.49Å; R103-E339 PolarHBondContact NH1-OE2 3.1Å; R103-E339 IonicContact NH2-OE1 2.71Å; R103-E339 PolarHBondContact NH2-OE1 3.49Å; R103-E339 IonicContact NH2-OE2 3.83Å; R103-E339 PolarHBondContact NH2-OE2 2.92Å
104	Q	97.5	Very high	95.3	Very high	38 Å²	38	43 Å²	43	18%	0.178	23%	0.225	C	C	.	.	H	α-helix	trans	-67.7	-43.1	-178.5	-70.5	179.8	-32.4	0	0	111.8	T100 F101 A107 A108 F120 V124	T100-Q104 HydrophobicContact CG2-CG 3.96Å; T100-Q104 WeakPolarHBondContact O-CG 3.46Å; T100-Q104 PolarHBondContact O-N 3.49Å; F101-Q104 PolarHBondContact O-N 3.3Å; Q104-A107 PolarHBondContact O-N 2.87Å; Q104-A108 WeakPolarHBondContact O-CB 3.27Å; Q104-A108 PolarHBondContact O-N 3.5Å; Q104-F120 HydrophobicContact CB-CD2 4.47Å; Q104-F120 HydrophobicContact CB-CE1 4.45Å; Q104-F120 HydrophobicContact CB-CE2 4.34Å; Q104-F120 HydrophobicContact CB-CZ 4.34Å; Q104-F120 HydrophobicContact CG-CD1 4.23Å; Q104-F120 HydrophobicContact CG-CE1 4.03Å; Q104-F120 HydrophobicContact CG-CZ 4.31Å; Q104-F120 WeakPolarHBondContact O-CE2 3.4Å; Q104-V124 HydrophobicContact CB-CG1 3.73Å; Q104-V124 HydrophobicContact CB-CG2 4.07Å
105	V	98.6	Very high	95.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-62	-46.1	175.8	173.4	0	0	0	0	110.5	F101 A107 A108 C109 V124 R127 L131 I376	F101-V105 HydrophobicContact CD1-CG2 4.36Å; F101-V105 HydrophobicContact CD2-CG2 4.32Å; F101-V105 HydrophobicContact CE1-CG2 4.01Å; F101-V105 HydrophobicContact CE2-CG2 3.96Å; F101-V105 HydrophobicContact CZ-CG2 3.8Å; F101-V105 WeakPolarHBondContact O-CG2 3.28Å; F101-V105 PolarHBondContact O-N 3.37Å; V105-A107 PolarHBondContact O-N 2.72Å; V105-A108 PolarHBondContact O-N 3.38Å; V105-C109 WeakPolarHBondContact O-CB 3.38Å; V105-C109 PolarHBondContact O-N 3.14Å; V105-C109 PolarHBondContact O-SG 2.8Å; V105-V124 HydrophobicContact CG2-CB 4.45Å; V105-V124 HydrophobicContact CG2-CG1 4.05Å; V105-V124 HydrophobicContact CG2-CG2 4.37Å; V105-R127 HydrophobicContact CG1-CG 3.81Å; V105-R127 HydrophobicContact CG2-CB 4.15Å; V105-R127 HydrophobicContact CG2-CG 3.84Å; V105-L131 HydrophobicContact CG1-CD1 3.85Å; V105-I376 HydrophobicContact CG1-CG2 3.88Å
106	I	98.4	Very high	95.9	Very high	19 Å²	19	42 Å²	42	10%	0.097	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-46.2	176.6	-70.8	170.6	0	0	0	110.9	I102 R103 A108 C109 T110 L342 I376 A377	I102-I106 HydrophobicContact CG2-CD1 3.79Å; I102-I106 WeakPolarHBondContact O-CB 3.43Å; I102-I106 WeakPolarHBondContact O-CD1 3.28Å; I102-I106 VanDerWaalsContact O-CG1 3.24Å; I102-I106 WeakPolarHBondContact O-CG1 3.5Å; I102-I106 PolarHBondContact O-N 3.15Å; I102-I106 VanDerWaalsContact O-N 3.09Å; R103-I106 PolarHBondContact O-N 3.26Å; I106-A108 VanDerWaalsContact C-N 3.34Å; I106-A108 PolarHBondContact O-N 3.43Å; I106-C109 PolarHBondContact O-N 2.89Å; I106-T110 HydrophobicContact CG2-CG2 4.17Å; I106-T110 WeakPolarHBondContact O-CG2 3.29Å; I106-T110 PolarHBondContact O-N 2.79Å; I106-T110 PolarHBondContact O-OG1 2.9Å; I106-T110 VanDerWaalsContact O-OG1 3.07Å; I106-L342 HydrophobicContact CD1-CD1 3.36Å; I106-I376 HydrophobicContact CG1-CG2 3.92Å; I106-A377 HydrophobicContact CD1-CB 4.2Å
107	A	98.2	Very high	95.8	Very high	30 Å²	30	42 Å²	42	25%	0.248	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-43.6	178.8	0	0	0	0	0	112	R103 Q104 V105 C109 T110 Y111 L114 F120	R103-A107 VanDerWaalsContact O-CB 3.27Å; R103-A107 WeakPolarHBondContact O-CB 3.38Å; R103-A107 PolarHBondContact O-N 3.03Å; Q104-A107 PolarHBondContact O-N 2.87Å; V105-A107 PolarHBondContact O-N 2.72Å; A107-C109 VanDerWaalsContact C-N 3.3Å; A107-C109 PolarHBondContact O-N 3.16Å; A107-T110 WeakPolarHBondContact CA-OG1 3.43Å; A107-T110 PolarHBondContact O-N 2.91Å; A107-T110 PolarHBondContact O-OG1 3.47Å; A107-Y111 PolarHBondContact O-N 3.35Å; A107-L114 HydrophobicContact CB-CD1 4.13Å; A107-F120 HydrophobicContact CB-CE2 4.13Å; A107-F120 HydrophobicContact CB-CZ 4.02Å
108	A	98.3	Very high	95.7	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.7	-34.9	176.7	0	0	0	0	0	112.4	Q104 V105 I106 Y111 P112 L115 F120 A128	Q104-A108 WeakPolarHBondContact O-CB 3.27Å; Q104-A108 PolarHBondContact O-N 3.5Å; V105-A108 PolarHBondContact O-N 3.38Å; I106-A108 VanDerWaalsContact C-N 3.34Å; I106-A108 PolarHBondContact O-N 3.43Å; A108-Y111 CarbonylContact O-C 3.59Å; A108-P112 WeakPolarHBondContact O-CA 3.27Å; A108-L115 HydrophobicContact CB-CD2 4.01Å; A108-F120 HydrophobicContact CB-CD2 4.06Å; A108-F120 HydrophobicContact CB-CE2 4.02Å; A108-A128 HydrophobicContact CB-CB 3.57Å
109	C	98.5	Very high	95.6	Very high	2 Å²	2	49.6 Å²	49.6	1%	0.014	28%	0.277	C	S	.	.	H	α-helix	trans	-75.3	-34	176.2	-64	0	0	0	0	113.2	V105 I106 A107 L132 V140 I376	V105-C109 WeakPolarHBondContact O-CB 3.38Å; V105-C109 PolarHBondContact O-N 3.14Å; V105-C109 PolarHBondContact O-SG 2.8Å; I106-C109 PolarHBondContact O-N 2.89Å; A107-C109 VanDerWaalsContact C-N 3.3Å; A107-C109 PolarHBondContact O-N 3.16Å; C109-L132 HydrophobicContact CB-CD2 4.16Å; C109-L132 HydrophobicContact CB-CG 4.43Å; C109-V140 HydrophobicContact CB-CG1 3.78Å; C109-I376 HydrophobicContact CB-CD1 3.82Å
110	T	98	Very high	95.7	Very high	70 Å²	70	51.3 Å²	51.3	43%	0.429	29%	0.285	S	S	.	.	H	α-helix	trans	-83.2	-26.9	179.2	55.3	0	0	0	0	113	I106 A107 V140 L373	I106-T110 HydrophobicContact CG2-CG2 4.17Å; I106-T110 WeakPolarHBondContact O-CG2 3.29Å; I106-T110 PolarHBondContact O-N 2.79Å; I106-T110 PolarHBondContact O-OG1 2.9Å; I106-T110 VanDerWaalsContact O-OG1 3.07Å; A107-T110 WeakPolarHBondContact CA-OG1 3.43Å; A107-T110 PolarHBondContact O-N 2.91Å; A107-T110 PolarHBondContact O-OG1 3.47Å; T110-V140 HydrophobicContact CG2-CG2 4.37Å; T110-L373 HydrophobicContact CG2-CD1 3.93Å; T110-L373 HydrophobicContact CG2-CD2 3.53Å; T110-L373 HydrophobicContact CG2-CG 4.39Å
111	Y	97.3	Very high	95.7	Very high	142 Å²	142	51.1 Å²	51.1	56%	0.557	28%	0.284	S	S	*	.	S	Bend	trans	-129.9	81.8	176.5	-170.7	-137.4	0	0	0	110.7	A107 A108 S113 L114	A107-Y111 PolarHBondContact O-N 3.35Å; A108-Y111 CarbonylContact O-C 3.59Å; Y111-S113 PolarHBondContact O-N 3.16Å; Y111-L114 HydrophobicContact CD1-CD1 3.96Å; Y111-L114 HydrophobicContact CD1-CD2 4.27Å; Y111-L114 HydrophobicContact CD1-CG 3.71Å; Y111-L114 HydrophobicContact CE1-CG 4.44Å; Y111-L114 HydrophobicContact CG-CG 4.44Å; Y111-L114 WeakPolarHBondContact O-CB 3.43Å; Y111-L114 WeakPolarHBondContact O-CG 3.48Å; Y111-L114 PolarHBondContact O-N 2.93Å
112	P	96	Very high	95.7	Very high	58 Å²	58	54.6 Å²	54.6	38%	0.377	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-58.3	-19.3	-171.7	-28.8	36.9	0	0	0	115.8	A108 L114 L115 L132	A108-P112 WeakPolarHBondContact O-CA 3.27Å; P112-L114 PolarHBondContact O-N 2.76Å; P112-L114 VanDerWaalsContact O-N 3.11Å; P112-L115 HydrophobicContact CB-CD1 4Å; P112-L115 WeakPolarHBondContact O-CB 3.44Å; P112-L115 WeakPolarHBondContact O-CG 3.44Å; P112-L115 PolarHBondContact O-N 3.24Å; P112-L132 HydrophobicContact CG-CD1 4.44Å
113	S	95.6	Very high	95.7	Very high	75 Å²	75	54.9 Å²	54.9	52%	0.524	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-59.2	-19.9	171.5	-56.3	0	0	0	0	113.2	Y111 L115	Y111-S113 PolarHBondContact O-N 3.16Å; S113-L115 PolarHBondContact O-N 2.76Å
114	L	96.1	Very high	95.8	Very high	31 Å²	31	51 Å²	51	16%	0.162	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-72	-15	172.7	-64.8	172.8	0	0	0	113.2	A107 Y111 P112 D116 S117 F120	A107-L114 HydrophobicContact CB-CD1 4.13Å; Y111-L114 HydrophobicContact CD1-CD1 3.96Å; Y111-L114 HydrophobicContact CD1-CD2 4.27Å; Y111-L114 HydrophobicContact CD1-CG 3.71Å; Y111-L114 HydrophobicContact CE1-CG 4.44Å; Y111-L114 HydrophobicContact CG-CG 4.44Å; Y111-L114 WeakPolarHBondContact O-CB 3.43Å; Y111-L114 WeakPolarHBondContact O-CG 3.48Å; Y111-L114 PolarHBondContact O-N 2.93Å; P112-L114 PolarHBondContact O-N 2.76Å; P112-L114 VanDerWaalsContact O-N 3.11Å; L114-D116 PolarHBondContact O-N 3.44Å; L114-S117 VanDerWaalsContact O-CB 3.24Å; L114-S117 WeakPolarHBondContact O-CB 3.39Å; L114-S117 PolarHBondContact O-N 3.33Å; L114-S117 VanDerWaalsContact O-N 3.12Å; L114-F120 HydrophobicContact CB-CD2 4.29Å; L114-F120 HydrophobicContact CB-CE2 4.02Å; L114-F120 HydrophobicContact CD1-CE2 3.75Å; L114-F120 HydrophobicContact CD1-CZ 3.9Å; L114-F120 HydrophobicContact CG-CE2 4.37Å
115	L	95.7	Very high	95.8	Very high	21 Å²	21	50.2 Å²	50.2	11%	0.11	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-67.9	-19.6	178.8	-61.2	172.3	0	0	0	113.6	A108 P112 S113 I125 A128 R129 L132	A108-L115 HydrophobicContact CB-CD2 4.01Å; P112-L115 HydrophobicContact CB-CD1 4Å; P112-L115 WeakPolarHBondContact O-CB 3.44Å; P112-L115 WeakPolarHBondContact O-CG 3.44Å; P112-L115 PolarHBondContact O-N 3.24Å; S113-L115 PolarHBondContact O-N 2.76Å; L115-I125 HydrophobicContact CD2-CG2 4.44Å; L115-I125 VanDerWaalsContact O-CG2 3.32Å; L115-I125 WeakPolarHBondContact O-CG2 3.41Å; L115-A128 HydrophobicContact CD2-CB 3.55Å; L115-R129 HydrophobicContact CD1-CG 4.33Å; L115-R129 HydrophobicContact CD2-CG 4.14Å; L115-R129 PolarHBondContact O-NH2 3.49Å; L115-L132 HydrophobicContact CD1-CD1 3.74Å
116	D	93.9	Very high	95.8	Very high	130 Å²	130	56.8 Å²	56.8	70%	0.695	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-106.8	7.1	177.1	-52.4	-45.3	0	0	0	111.4	L114 R129	L114-D116 PolarHBondContact O-N 3.44Å; D116-R129 IonicContact OD1-CZ 3.41Å; D116-R129 IonicContact OD1-NH2 2.7Å; D116-R129 PolarHBondContact OD1-NH2 3.08Å
117	S	87.7	Confident	95.8	Very high	27 Å²	27	56.5 Å²	56.5	19%	0.189	32%	0.321	C	S	.	.			trans	-84.7	136.3	179.8	-178.1	0	0	0	0	111.6	L114 Q119	L114-S117 VanDerWaalsContact O-CB 3.24Å; L114-S117 WeakPolarHBondContact O-CB 3.39Å; L114-S117 PolarHBondContact O-N 3.33Å; L114-S117 VanDerWaalsContact O-N 3.12Å; S117-Q119 PolarHBondContact O-N 3.04Å; S117-Q119 VanDerWaalsContact OG-CB 3.32Å; S117-Q119 WeakPolarHBondContact OG-CB 3.39Å; S117-Q119 WeakPolarHBondContact OG-CG 3.41Å; S117-Q119 PolarHBondContact OG-N 3.43Å; S117-Q119 VanDerWaalsContact OG-N 3.13Å
118	A	88.7	Confident	95.8	Very high	110 Å²	110	55.1 Å²	55.1	91%	0.909	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-2.3	169.7	0	0	0	0	0	113.6
119	Q	91.2	Very high	95.8	Very high	157 Å²	157	61 Å²	61	73%	0.734	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-24	-177.3	-65.3	179.6	49.4	0	0	113.5	S117	S117-Q119 PolarHBondContact O-N 3.04Å; S117-Q119 VanDerWaalsContact OG-CB 3.32Å; S117-Q119 WeakPolarHBondContact OG-CB 3.39Å; S117-Q119 WeakPolarHBondContact OG-CG 3.41Å; S117-Q119 PolarHBondContact OG-N 3.43Å; S117-Q119 VanDerWaalsContact OG-N 3.13Å
120	F	94.9	Very high	95.8	Very high	37 Å²	37	64.5 Å²	64.5	16%	0.162	35%	0.35	C	S	.	.	S	Bend	trans	-104.7	143.1	-176	-74.5	-3.4	0	0	0	112	Q104 A107 A108 L114 V124 I125	Q104-F120 HydrophobicContact CB-CD2 4.47Å; Q104-F120 HydrophobicContact CB-CE1 4.45Å; Q104-F120 HydrophobicContact CB-CE2 4.34Å; Q104-F120 HydrophobicContact CB-CZ 4.34Å; Q104-F120 HydrophobicContact CG-CD1 4.23Å; Q104-F120 HydrophobicContact CG-CE1 4.03Å; Q104-F120 HydrophobicContact CG-CZ 4.31Å; Q104-F120 WeakPolarHBondContact O-CE2 3.4Å; A107-F120 HydrophobicContact CB-CE2 4.13Å; A107-F120 HydrophobicContact CB-CZ 4.02Å; A108-F120 HydrophobicContact CB-CD2 4.06Å; A108-F120 HydrophobicContact CB-CE2 4.02Å; L114-F120 HydrophobicContact CB-CD2 4.29Å; L114-F120 HydrophobicContact CB-CE2 4.02Å; L114-F120 HydrophobicContact CD1-CE2 3.75Å; L114-F120 HydrophobicContact CD1-CZ 3.9Å; L114-F120 HydrophobicContact CG-CE2 4.37Å; F120-V124 HydrophobicContact CB-CG1 4.24Å; F120-V124 HydrophobicContact CD2-CG1 4.01Å; F120-V124 HydrophobicContact CG-CG1 4.35Å; F120-I125 HydrophobicContact CB-CD1 3.61Å; F120-I125 HydrophobicContact CB-CG1 4.23Å; F120-I125 HydrophobicContact CD2-CD1 4.1Å; F120-I125 HydrophobicContact CG-CD1 4.38Å
121	P	95.6	Very high	95.8	Very high	35 Å²	35	61.1 Å²	61.1	23%	0.227	33%	0.33	C	S	.	.			trans	-54.8	148.2	172.7	-27.3	37.1	0	0	0	113.2	D123 V124 I125 P390 S391	P121-D123 VanDerWaalsContact C-N 3.32Å; P121-D123 WeakPolarHBondContact CB-OD1 3.35Å; P121-D123 PolarHBondContact O-N 3.18Å; P121-V124 HydrophobicContact CB-CB 4.46Å; P121-V124 HydrophobicContact CB-CG2 4.12Å; P121-V124 HydrophobicContact CG-CG2 4.24Å; P121-V124 WeakPolarHBondContact O-CB 3.49Å; P121-V124 PolarHBondContact O-N 3.45Å; P121-V124 VanDerWaalsContact O-N 3.11Å; P121-I125 PolarHBondContact O-N 3.2Å; P121-I125 VanDerWaalsContact O-N 3.15Å; P121-P390 HydrophobicContact CB-CB 4Å; P121-S391 WeakPolarHBondContact CB-OG 3.44Å
122	S	96.6	Very high	95.9	Very high	80 Å²	80	54.7 Å²	54.7	56%	0.559	31%	0.305	S	S	*	.	H	α-helix	trans	-64.1	-34.7	-175.3	59.2	0	0	0	0	113.5	V124 I125 E126	S122-V124 VanDerWaalsContact C-N 3.33Å; S122-I125 PolarHBondContact O-N 3.08Å; S122-E126 WeakPolarHBondContact O-CB 3.5Å; S122-E126 PolarHBondContact O-N 2.91Å
123	D	97.3	Very high	96	Very high	8 Å²	8	54.6 Å²	54.6	4%	0.043	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-33.7	174.6	56.9	-31.2	0	0	0	112.4	P121 R127 E389 S391	P121-D123 VanDerWaalsContact C-N 3.32Å; P121-D123 WeakPolarHBondContact CB-OD1 3.35Å; P121-D123 PolarHBondContact O-N 3.18Å; D123-R127 WeakPolarHBondContact O-CB 3.31Å; D123-R127 PolarHBondContact O-N 2.98Å; D123-E389 HydrophobicContact CB-CB 4.04Å; D123-E389 HydrophobicContact CB-CG 4.36Å; D123-S391 VanDerWaalsContact CG-OG 3.27Å; D123-S391 PolarHBondContact OD1-OG 2.8Å; D123-S391 WeakPolarHBondContact OD2-CB 3.46Å; D123-S391 PolarHBondContact OD2-N 3.03Å; D123-S391 PolarHBondContact OD2-OG 3Å
124	V	97.9	Very high	96.1	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.1	-46.5	170.2	169.7	0	0	0	0	110.8	F101 Q104 V105 F120 P121 S122 R127 A128	F101-V124 HydrophobicContact CD2-CG2 3.62Å; F101-V124 HydrophobicContact CE2-CG2 3.69Å; Q104-V124 HydrophobicContact CB-CG1 3.73Å; Q104-V124 HydrophobicContact CB-CG2 4.07Å; V105-V124 HydrophobicContact CG2-CB 4.45Å; V105-V124 HydrophobicContact CG2-CG1 4.05Å; V105-V124 HydrophobicContact CG2-CG2 4.37Å; F120-V124 HydrophobicContact CB-CG1 4.24Å; F120-V124 HydrophobicContact CD2-CG1 4.01Å; F120-V124 HydrophobicContact CG-CG1 4.35Å; P121-V124 HydrophobicContact CB-CB 4.46Å; P121-V124 HydrophobicContact CB-CG2 4.12Å; P121-V124 HydrophobicContact CG-CG2 4.24Å; P121-V124 WeakPolarHBondContact O-CB 3.49Å; P121-V124 PolarHBondContact O-N 3.45Å; P121-V124 VanDerWaalsContact O-N 3.11Å; S122-V124 VanDerWaalsContact C-N 3.33Å; V124-R127 PolarHBondContact O-N 3.21Å; V124-A128 WeakPolarHBondContact O-CB 3.42Å; V124-A128 PolarHBondContact O-N 3.49Å
125	I	98.1	Very high	96.2	Very high	22 Å²	22	52.1 Å²	52.1	11%	0.113	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-46.5	-179.4	-60.7	-45.8	0	0	0	110.9	L115 F120 P121 S122 R127 A128 R129	L115-I125 HydrophobicContact CD2-CG2 4.44Å; L115-I125 VanDerWaalsContact O-CG2 3.32Å; L115-I125 WeakPolarHBondContact O-CG2 3.41Å; F120-I125 HydrophobicContact CB-CD1 3.61Å; F120-I125 HydrophobicContact CB-CG1 4.23Å; F120-I125 HydrophobicContact CD2-CD1 4.1Å; F120-I125 HydrophobicContact CG-CD1 4.38Å; P121-I125 PolarHBondContact O-N 3.2Å; P121-I125 VanDerWaalsContact O-N 3.15Å; S122-I125 PolarHBondContact O-N 3.08Å; I125-R127 VanDerWaalsContact C-N 3.32Å; I125-R127 PolarHBondContact O-N 2.89Å; I125-A128 PolarHBondContact O-N 3.38Å; I125-R129 HydrophobicContact CG2-CG 4.43Å; I125-R129 WeakPolarHBondContact O-CG 3.25Å; I125-R129 PolarHBondContact O-N 3.26Å
126	E	97.6	Very high	96.3	Very high	138 Å²	138	53.1 Å²	53.1	65%	0.645	31%	0.311	S	S	*	.	H	α-helix	trans	-58.3	-46.5	176.1	-175.8	-178	168.6	0	0	110.8	S122 A128 R129 L130	S122-E126 WeakPolarHBondContact O-CB 3.5Å; S122-E126 PolarHBondContact O-N 2.91Å; E126-A128 PolarHBondContact O-N 2.92Å; E126-R129 PolarHBondContact O-N 2.86Å; E126-L130 WeakPolarHBondContact O-CB 3.4Å; E126-L130 PolarHBondContact O-N 3.01Å
127	R	98.2	Very high	96.4	Very high	14 Å²	14	50.6 Å²	50.6	5%	0.053	32%	0.315	C	S	.	.	H	α-helix	trans	-58	-48.5	176.2	-178.9	55	57	137	17.8	112.3	F101 V105 D123 V124 I125 L130 L131 H155 D379 K383	F101-R127 HydrophobicContact CZ-CB 4.49Å; F101-R127 HydrophobicContact CZ-CG 4.35Å; V105-R127 HydrophobicContact CG1-CG 3.81Å; V105-R127 HydrophobicContact CG2-CB 4.15Å; V105-R127 HydrophobicContact CG2-CG 3.84Å; D123-R127 WeakPolarHBondContact O-CB 3.31Å; D123-R127 PolarHBondContact O-N 2.98Å; V124-R127 PolarHBondContact O-N 3.21Å; I125-R127 VanDerWaalsContact C-N 3.32Å; I125-R127 PolarHBondContact O-N 2.89Å; R127-L130 PolarHBondContact O-N 3.14Å; R127-L131 HydrophobicContact CG-CD1 3.87Å; R127-L131 VanDerWaalsContact O-CG 3.31Å; R127-L131 WeakPolarHBondContact O-CG 3.47Å; R127-L131 PolarHBondContact O-N 2.92Å; R127-H155 PolarHBondContact NH1-CE1 3.36Å; R127-H155 VanDerWaalsContact NH1-CE1 3.29Å; R127-H155 PolarHBondContact NH1-ND1 3.41Å; R127-D379 VanDerWaalsContact CD-OD1 3.29Å; R127-D379 WeakPolarHBondContact CD-OD1 3.33Å; R127-D379 IonicContact CZ-OD1 2.79Å; R127-D379 IonicContact NE-OD1 3.7Å; R127-D379 IonicContact NH1-OD1 3.66Å; R127-D379 PolarHBondContact NH1-OD1 3.38Å; R127-D379 IonicContact NH1-OD2 3.19Å; R127-K383 VanDerWaalsContact NH1-CD 3.31Å; R127-K383 VanDerWaalsContact NH2-CD 3.29Å; R127-K383 PolarHBondContact NH2-O 3.25Å
128	A	98.5	Very high	96.9	Very high	0 Å²	0	53 Å²	53	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-65.6	-41.5	-178.6	0	0	0	0	0	111.8	A108 L115 V124 I125 E126 L130 L131 L132	A108-A128 HydrophobicContact CB-CB 3.57Å; L115-A128 HydrophobicContact CD2-CB 3.55Å; V124-A128 WeakPolarHBondContact O-CB 3.42Å; V124-A128 PolarHBondContact O-N 3.49Å; I125-A128 PolarHBondContact O-N 3.38Å; E126-A128 PolarHBondContact O-N 2.92Å; A128-L130 PolarHBondContact O-N 3.45Å; A128-L131 PolarHBondContact O-N 3.1Å; A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 VanDerWaalsContact O-CG 3.3Å; A128-L132 WeakPolarHBondContact O-CG 3.4Å; A128-L132 PolarHBondContact O-N 3.04Å
129	R	98.3	Very high	97.3	Very high	123 Å²	123	50.2 Å²	50.2	46%	0.464	31%	0.306	S	S	.	.	H	α-helix	trans	-61	-43.9	174.5	-71.9	-177	-172.7	-94.9	-1.6	111.8	L115 D116 I125 E126 G133	L115-R129 HydrophobicContact CD1-CG 4.33Å; L115-R129 HydrophobicContact CD2-CG 4.14Å; L115-R129 PolarHBondContact O-NH2 3.49Å; D116-R129 IonicContact OD1-CZ 3.41Å; D116-R129 IonicContact OD1-NH2 2.7Å; D116-R129 PolarHBondContact OD1-NH2 3.08Å; I125-R129 HydrophobicContact CG2-CG 4.43Å; I125-R129 WeakPolarHBondContact O-CG 3.25Å; I125-R129 PolarHBondContact O-N 3.26Å; E126-R129 PolarHBondContact O-N 2.86Å; R129-G133 PolarHBondContact O-N 3.27Å
130	L	98.6	Very high	97.7	Very high	76 Å²	76	44.2 Å²	44.2	40%	0.398	28%	0.279	S	S	.	.	H	α-helix	trans	-59.7	-47.5	176.9	175.7	64.2	0	0	0	111.8	E126 R127 A128 G133 D134 V151	E126-L130 WeakPolarHBondContact O-CB 3.4Å; E126-L130 PolarHBondContact O-N 3.01Å; R127-L130 PolarHBondContact O-N 3.14Å; A128-L130 PolarHBondContact O-N 3.45Å; L130-G133 PolarHBondContact O-N 3.29Å; L130-D134 PolarHBondContact O-N 3.07Å; L130-V151 HydrophobicContact CD1-CG2 4.01Å; L130-V151 HydrophobicContact CD2-CG2 3.99Å; L130-V151 HydrophobicContact CG-CG2 3.85Å
131	L	98.7	Very high	97.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-68.9	-42.7	-178.3	-68.9	169.4	0	0	0	112.5	V105 R127 A128 G133 D134 C135 V151 V152 I376 D379	V105-L131 HydrophobicContact CG1-CD1 3.85Å; R127-L131 HydrophobicContact CG-CD1 3.87Å; R127-L131 VanDerWaalsContact O-CG 3.31Å; R127-L131 WeakPolarHBondContact O-CG 3.47Å; R127-L131 PolarHBondContact O-N 2.92Å; A128-L131 PolarHBondContact O-N 3.1Å; L131-G133 VanDerWaalsContact C-N 3.29Å; L131-G133 PolarHBondContact O-N 3.18Å; L131-D134 PolarHBondContact O-N 3.13Å; L131-C135 PolarHBondContact O-SG 3.23Å; L131-V151 HydrophobicContact CD2-CG1 3.84Å; L131-V152 HydrophobicContact CD2-CG2 3.71Å; L131-I376 HydrophobicContact CB-CG1 4.45Å; L131-I376 HydrophobicContact CD1-CB 4.46Å; L131-I376 HydrophobicContact CD1-CG1 4.18Å; L131-I376 HydrophobicContact CD1-CG2 3.96Å; L131-D379 HydrophobicContact CD1-CB 4.35Å; L131-D379 HydrophobicContact CD2-CB 4.03Å
132	L	98.5	Very high	97.9	Very high	7 Å²	7	46.1 Å²	46.1	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-63.9	-36.6	174.5	-70.8	174.1	0	0	0	111.3	C109 P112 L115 A128 D134 C135 C138 V140	C109-L132 HydrophobicContact CB-CD2 4.16Å; C109-L132 HydrophobicContact CB-CG 4.43Å; P112-L132 HydrophobicContact CG-CD1 4.44Å; L115-L132 HydrophobicContact CD1-CD1 3.74Å; A128-L132 WeakPolarHBondContact O-CB 3.45Å; A128-L132 VanDerWaalsContact O-CG 3.3Å; A128-L132 WeakPolarHBondContact O-CG 3.4Å; A128-L132 PolarHBondContact O-N 3.04Å; L132-D134 PolarHBondContact O-N 2.85Å; L132-C135 WeakPolarHBondContact O-CA 3.32Å; L132-C135 WeakPolarHBondContact O-CB 3.41Å; L132-C135 PolarHBondContact O-N 3.27Å; L132-C138 WeakPolarHBondContact O-CA 3.43Å; L132-V140 HydrophobicContact CD2-CG1 3.8Å
133	G	98.2	Very high	97.9	Very high	55 Å²	55	50.6 Å²	50.6	57%	0.567	32%	0.315	S	S	*	.	H	α-helix	trans	-60.2	-26.5	177.5	0	0	0	0	0	114.4	R129 L130 L131	R129-G133 PolarHBondContact O-N 3.27Å; L130-G133 PolarHBondContact O-N 3.29Å; L131-G133 VanDerWaalsContact C-N 3.29Å; L131-G133 PolarHBondContact O-N 3.18Å
134	D	98	Very high	97.9	Very high	45 Å²	45	51 Å²	51	24%	0.241	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-7.4	174.5	-157.1	52.8	0	0	0	112.6	L130 L131 L132 L149 R150 V151	L130-D134 PolarHBondContact O-N 3.07Å; L131-D134 PolarHBondContact O-N 3.13Å; L132-D134 PolarHBondContact O-N 2.85Å; D134-L149 HydrophobicContact CB-CD2 4.29Å; D134-L149 WeakPolarHBondContact O-CD2 3.41Å; D134-L149 WeakPolarHBondContact OD2-CB 3.48Å; D134-R150 IonicContact OD1-NE 3.96Å; D134-R150 IonicContact OD1-NH2 3.61Å; D134-R150 PolarHBondContact OD2-N 3.44Å; D134-V151 HydrophobicContact CB-CB 4.2Å; D134-V151 HydrophobicContact CB-CG1 3.64Å; D134-V151 PolarHBondContact OD2-N 3.12Å
135	C	98.3	Very high	97.9	Very high	10 Å²	10	53.8 Å²	53.8	7%	0.068	34%	0.342	C	S	.	.	S	Bend	trans	-88.8	139.7	174.4	-60.5	0	0	0	0	110.9	L131 L132 G137 C138 S139	L131-C135 PolarHBondContact O-SG 3.23Å; L132-C135 WeakPolarHBondContact O-CA 3.32Å; L132-C135 WeakPolarHBondContact O-CB 3.41Å; L132-C135 PolarHBondContact O-N 3.27Å; C135-G137 PolarHBondContact O-N 2.95Å; C135-C138 PolarHBondContact O-N 2.94Å; C135-S139 WeakPolarHBondContact CB-O 3.45Å
136	G	97.1	Very high	97.8	Very high	42 Å²	42	54.1 Å²	54.1	43%	0.433	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-55.8	127	173.2	0	0	0	0	0	111.6	C138 S139 S142	G136-C138 PolarHBondContact O-N 3.23Å; G136-S139 PolarHBondContact O-N 3.45Å; G136-S142 VanDerWaalsContact O-CB 3.23Å; G136-S142 WeakPolarHBondContact O-CB 3.21Å; G136-S142 PolarHBondContact O-OG 2.89Å
137	G	97	Very high	97.8	Very high	76 Å²	76	48.5 Å²	48.5	78%	0.784	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	64.4	21.5	-178.2	0	0	0	0	0	114.5	C135 S139	C135-G137 PolarHBondContact O-N 2.95Å; G137-S139 PolarHBondContact O-N 2.93Å
138	C	97.4	Very high	97.8	Very high	79 Å²	79	47.9 Å²	47.9	53%	0.534	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	55	35.2	-177.9	-59.6	0	0	0	0	113.5	L132 C135 G136	L132-C138 WeakPolarHBondContact O-CA 3.43Å; C135-C138 PolarHBondContact O-N 2.94Å; G136-C138 PolarHBondContact O-N 3.23Å
139	S	98	Very high	97.8	Very high	51 Å²	51	48.1 Å²	48.1	36%	0.357	32%	0.32	S	S	.	.			trans	-134.4	131.6	-173.4	176.9	0	0	0	0	111.9	C135 G136 G137 G141 S142	C135-S139 WeakPolarHBondContact CB-O 3.45Å; G136-S139 PolarHBondContact O-N 3.45Å; G137-S139 PolarHBondContact O-N 2.93Å; S139-G141 PolarHBondContact O-N 2.91Å; S139-G141 VanDerWaalsContact O-N 3.16Å; S139-G141 PolarHBondContact OG-N 3.34Å; S139-G141 VanDerWaalsContact OG-N 3.12Å; S139-S142 WeakPolarHBondContact O-CB 3.4Å; S139-S142 PolarHBondContact O-N 3.25Å; S139-S142 VanDerWaalsContact O-N 3.15Å
140	V	97.9	Very high	97.9	Very high	30 Å²	30	48.4 Å²	48.4	18%	0.182	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.1	171.3	-62	0	0	0	0	113.6	C109 T110 L132 S142 V372 L373 I376	C109-V140 HydrophobicContact CB-CG1 3.78Å; T110-V140 HydrophobicContact CG2-CG2 4.37Å; L132-V140 HydrophobicContact CD2-CG1 3.8Å; V140-S142 VanDerWaalsContact C-N 3.29Å; V140-V372 HydrophobicContact CB-CG1 4.08Å; V140-V372 HydrophobicContact CG1-CG1 4.12Å; V140-L373 HydrophobicContact CB-CD2 3.97Å; V140-L373 HydrophobicContact CG1-CD2 4.04Å; V140-L373 HydrophobicContact CG2-CD2 4.05Å; V140-I376 HydrophobicContact CG1-CD1 3.53Å
141	G	97.4	Very high	97.9	Very high	70 Å²	70	45.1 Å²	45.1	72%	0.722	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-12.4	173	0	0	0	0	0	114	S139	S139-G141 PolarHBondContact O-N 2.91Å; S139-G141 VanDerWaalsContact O-N 3.16Å; S139-G141 PolarHBondContact OG-N 3.34Å; S139-G141 VanDerWaalsContact OG-N 3.12Å
142	S	97.7	Very high	97.9	Very high	42 Å²	42	45.1 Å²	45.1	29%	0.294	30%	0.304	S	S	.	.	S	Bend	trans	-84.5	150.5	178.4	-64.3	0	0	0	0	111.8	G136 S139 V140 V372	G136-S142 VanDerWaalsContact O-CB 3.23Å; G136-S142 WeakPolarHBondContact O-CB 3.21Å; G136-S142 PolarHBondContact O-OG 2.89Å; S139-S142 WeakPolarHBondContact O-CB 3.4Å; S139-S142 PolarHBondContact O-N 3.25Å; S139-S142 VanDerWaalsContact O-N 3.15Å; V140-S142 VanDerWaalsContact C-N 3.29Å; S142-V372 WeakPolarHBondContact O-CG2 3.46Å
143	Y	97.7	Very high	97.9	Very high	174 Å²	174	45.6 Å²	45.6	68%	0.682	31%	0.305	S	S	*	.			trans	-62.4	141.3	167.8	-65.5	-59	0	0	0	110.7	L368	Y143-L368 HydrophobicContact CD1-CB 4.43Å; Y143-L368 HydrophobicContact CD1-CD1 4.37Å; Y143-L368 HydrophobicContact CE1-CB 4.43Å; Y143-L368 HydrophobicContact CE1-CD1 3.68Å; Y143-L368 HydrophobicContact CE2-CD1 4.19Å
144	S	97.6	Very high	97.9	Very high	18 Å²	18	46.2 Å²	46.2	13%	0.126	29%	0.293	C	S	.	.			trans	-91	177	160.7	70.8	0	0	0	0	110.4	C369 Q375	S144-C369 WeakPolarHBondContact O-CB 3.29Å; S144-Q375 PolarHBondContact OG-NE2 3.46Å; S144-Q375 PolarHBondContact OG-OE1 2.9Å
145	A	96.9	Very high	97.9	Very high	58 Å²	58	44.8 Å²	44.8	48%	0.479	29%	0.285	S	S	.	.			trans	-59	156.4	171.2	0	0	0	0	0	111	V147 G148 C369	A145-V147 HydrophobicContact CB-CG2 4.28Å; A145-V147 PolarHBondContact O-N 3.45Å; A145-V147 VanDerWaalsContact O-N 3.12Å; A145-G148 WeakPolarHBondContact O-CA 3.34Å; A145-G148 PolarHBondContact O-N 3.26Å; A145-C369 WeakPolarHBondContact O-CB 3.45Å
146	S	97.1	Very high	98	Very high	29 Å²	29	44.3 Å²	44.3	20%	0.203	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-28.5	-176.5	-43	0	0	0	0	114.1	S365 L368	S146-S365 WeakPolarHBondContact OG-CA 3.46Å; S146-S365 PolarHBondContact OG-OG 2.97Å; S146-S365 VanDerWaalsContact OG-OG 3.11Å; S146-L368 WeakPolarHBondContact CA-O 3.48Å; S146-L368 WeakPolarHBondContact CB-O 3.27Å; S146-L368 PolarHBondContact OG-O 3.19Å
147	V	97.7	Very high	98.1	Very high	20 Å²	20	42.8 Å²	42.8	12%	0.121	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.6	174.1	-65.8	0	0	0	0	113.1	A145 I175 L176 K361 I364	A145-V147 HydrophobicContact CB-CG2 4.28Å; A145-V147 PolarHBondContact O-N 3.45Å; A145-V147 VanDerWaalsContact O-N 3.12Å; V147-I175 HydrophobicContact CB-CG2 4.47Å; V147-I175 HydrophobicContact CG1-CG2 4.18Å; V147-L176 PolarHBondContact O-N 3.34Å; V147-K361 HydrophobicContact CG1-CD 4.36Å; V147-K361 HydrophobicContact CG1-CG 4.1Å; V147-I364 HydrophobicContact CG1-CD1 3.94Å
148	G	98.3	Very high	98.1	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.241	C	C	.	.			trans	107	169.8	-178	0	0	0	0	0	114.4	A145 R150	A145-G148 WeakPolarHBondContact O-CA 3.34Å; A145-G148 PolarHBondContact O-N 3.26Å; G148-R150 PolarHBondContact O-N 3.47Å
149	L	98.5	Very high	98.2	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.026	22%	0.223	C	C	.	.			trans	-52.6	131.8	174.4	-71	174.9	0	0	0	110.2	D134 V151 V152 R153 V372	D134-L149 HydrophobicContact CB-CD2 4.29Å; D134-L149 WeakPolarHBondContact O-CD2 3.41Å; D134-L149 WeakPolarHBondContact OD2-CB 3.48Å; L149-V151 HydrophobicContact CB-CG1 4.48Å; L149-V152 HydrophobicContact CB-CB 4.18Å; L149-V152 HydrophobicContact CB-CG2 3.81Å; L149-V152 HydrophobicContact CD1-CG2 4.06Å; L149-V152 PolarHBondContact O-N 3.41Å; L149-R153 WeakPolarHBondContact O-CG 3.42Å; L149-R153 PolarHBondContact O-N 3.12Å; L149-R153 VanDerWaalsContact O-N 3.08Å; L149-V372 HydrophobicContact CD1-CG1 4.2Å
150	R	98.5	Very high	98.2	Very high	129 Å²	129	37.3 Å²	37.3	49%	0.487	21%	0.206	S	C	.	.	H	α-helix	trans	-62.6	-46	-177.3	179	-177.8	60.4	89.6	2.2	110.3	D134 G148 V152 R153 E154	D134-R150 IonicContact OD1-NE 3.96Å; D134-R150 IonicContact OD1-NH2 3.61Å; D134-R150 PolarHBondContact OD2-N 3.44Å; G148-R150 PolarHBondContact O-N 3.47Å; R150-V152 PolarHBondContact O-N 2.68Å; R150-R153 PolarHBondContact O-N 2.83Å; R150-R153 VanDerWaalsContact O-N 3.1Å; R150-E154 HydrophobicContact CG-CG 4.43Å; R150-E154 WeakPolarHBondContact CG-OE1 3.18Å; R150-E154 IonicContact CZ-OE1 3.87Å; R150-E154 IonicContact NE-OE1 3.45Å; R150-E154 IonicContact NH1-OE1 3.68Å; R150-E154 PolarHBondContact NH1-OE1 3.47Å; R150-E154 IonicContact NH1-OE2 3.85Å; R150-E154 PolarHBondContact NH1-OE2 2.86Å; R150-E154 WeakPolarHBondContact O-CG 3.24Å; R150-E154 PolarHBondContact O-N 2.87Å
151	V	98.6	Very high	98.2	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.042	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-36.9	-179	67.8	0	0	0	0	112.2	L130 L131 D134 L149 E154 H155	L130-V151 HydrophobicContact CD1-CG2 4.01Å; L130-V151 HydrophobicContact CD2-CG2 3.99Å; L130-V151 HydrophobicContact CG-CG2 3.85Å; L131-V151 HydrophobicContact CD2-CG1 3.84Å; D134-V151 HydrophobicContact CB-CB 4.2Å; D134-V151 HydrophobicContact CB-CG1 3.64Å; D134-V151 PolarHBondContact OD2-N 3.12Å; L149-V151 HydrophobicContact CB-CG1 4.48Å; V151-E154 PolarHBondContact O-N 2.93Å; V151-H155 VanDerWaalsContact O-CG 3.3Å; V151-H155 PolarHBondContact O-N 3.31Å; V151-H155 PolarHBondContact O-ND1 3.29Å
152	V	98.8	Very high	98.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-72.1	-41.3	178.1	-178.3	0	0	0	0	110.5	L131 L149 R150 E154 H155 V156 L176 Q375 D379	L131-V152 HydrophobicContact CD2-CG2 3.71Å; L149-V152 HydrophobicContact CB-CB 4.18Å; L149-V152 HydrophobicContact CB-CG2 3.81Å; L149-V152 HydrophobicContact CD1-CG2 4.06Å; L149-V152 PolarHBondContact O-N 3.41Å; R150-V152 PolarHBondContact O-N 2.68Å; V152-E154 VanDerWaalsContact C-N 3.32Å; V152-E154 PolarHBondContact O-N 3.36Å; V152-H155 PolarHBondContact O-N 3.44Å; V152-V156 HydrophobicContact CG1-CG2 4.41Å; V152-V156 VanDerWaalsContact O-CG2 3.25Å; V152-V156 WeakPolarHBondContact O-CG2 3.26Å; V152-V156 PolarHBondContact O-N 2.95Å; V152-L176 HydrophobicContact CB-CD1 3.72Å; V152-L176 HydrophobicContact CG1-CD1 3.53Å; V152-L176 HydrophobicContact CG1-CD2 4.11Å; V152-Q375 WeakPolarHBondContact CG1-O 3.3Å; V152-D379 HydrophobicContact CG1-CB 4.02Å; V152-D379 HydrophobicContact CG2-CB 3.93Å
153	R	98.8	Very high	98.1	Very high	18 Å²	18	45.8 Å²	45.8	7%	0.068	21%	0.21	C	C	.	.	H	α-helix	trans	-61.3	-40.2	174.7	-68.4	-173.8	-63.6	123.6	-2.8	112.1	L149 R150 V156 S157 P171 E172 I174 L176	L149-R153 WeakPolarHBondContact O-CG 3.42Å; L149-R153 PolarHBondContact O-N 3.12Å; L149-R153 VanDerWaalsContact O-N 3.08Å; R150-R153 PolarHBondContact O-N 2.83Å; R150-R153 VanDerWaalsContact O-N 3.1Å; R153-V156 PolarHBondContact O-N 3.31Å; R153-S157 PolarHBondContact O-N 3.42Å; R153-P171 HydrophobicContact CB-CB 4.37Å; R153-P171 PolarHBondContact NH1-O 3.18Å; R153-E172 IonicContact CZ-OE1 3.02Å; R153-E172 IonicContact NH1-OE1 3.93Å; R153-E172 PolarHBondContact NH1-OE1 3.05Å; R153-E172 IonicContact NH1-OE2 2.72Å; R153-E172 IonicContact NH2-OE1 3.97Å; R153-E172 PolarHBondContact NH2-OE1 3.5Å; R153-I174 HydrophobicContact CB-CB 4.39Å; R153-I174 HydrophobicContact CB-CG2 4.31Å; R153-I174 WeakPolarHBondContact CD-O 3.43Å; R153-I174 HydrophobicContact CG-CB 4.41Å; R153-I174 HydrophobicContact CG-CG2 4.09Å; R153-I174 WeakPolarHBondContact O-CD1 3.46Å; R153-L176 HydrophobicContact CG-CD1 4.38Å; R153-L176 HydrophobicContact CG-CG 4.15Å
154	E	98.8	Very high	98.1	Very high	67 Å²	67	37.6 Å²	37.6	31%	0.313	18%	0.178	S	C	.	.	H	α-helix	trans	-60.7	-47	174.1	-72.2	168.4	-179.3	0	0	111.2	R150 V151 V152 V156 S157 D158 P171	R150-E154 HydrophobicContact CG-CG 4.43Å; R150-E154 WeakPolarHBondContact CG-OE1 3.18Å; R150-E154 IonicContact CZ-OE1 3.87Å; R150-E154 IonicContact NE-OE1 3.45Å; R150-E154 IonicContact NH1-OE1 3.68Å; R150-E154 PolarHBondContact NH1-OE1 3.47Å; R150-E154 IonicContact NH1-OE2 3.85Å; R150-E154 PolarHBondContact NH1-OE2 2.86Å; R150-E154 WeakPolarHBondContact O-CG 3.24Å; R150-E154 PolarHBondContact O-N 2.87Å; V151-E154 PolarHBondContact O-N 2.93Å; V152-E154 VanDerWaalsContact C-N 3.32Å; V152-E154 PolarHBondContact O-N 3.36Å; E154-V156 PolarHBondContact O-N 2.78Å; E154-S157 WeakPolarHBondContact O-CB 3.48Å; E154-S157 PolarHBondContact O-N 3.37Å; E154-D158 PolarHBondContact O-N 3.37Å; E154-P171 HydrophobicContact CG-CB 4.19Å; E154-P171 HydrophobicContact CG-CG 4.05Å
155	H	98.8	Very high	98	Very high	15 Å²	15	39.9 Å²	39.9	7%	0.069	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-34.8	175.9	-66.8	159.7	0	0	0	113.7	R127 V151 V152 D158 Y159 D379 V382 K383	R127-H155 PolarHBondContact NH1-CE1 3.36Å; R127-H155 VanDerWaalsContact NH1-CE1 3.29Å; R127-H155 PolarHBondContact NH1-ND1 3.41Å; V151-H155 VanDerWaalsContact O-CG 3.3Å; V151-H155 PolarHBondContact O-N 3.31Å; V151-H155 PolarHBondContact O-ND1 3.29Å; V152-H155 PolarHBondContact O-N 3.44Å; H155-D158 PolarHBondContact O-N 2.83Å; H155-Y159 WeakPolarHBondContact O-CB 3.13Å; H155-Y159 PolarHBondContact O-N 3.27Å; H155-D379 IonicContact CE1-OD2 3.47Å; H155-D379 IonicContact CG-OD2 2.62Å; H155-D379 IonicContact ND1-OD1 3.95Å; H155-D379 IonicContact ND1-OD2 2.74Å; H155-D379 PolarHBondContact ND1-OD2 3.28Å; H155-V382 HydrophobicContact CB-CG2 4.01Å; H155-K383 HydrophobicContact CB-CB 4.26Å; H155-K383 HydrophobicContact CB-CD 4.34Å; H155-K383 VanDerWaalsContact CD2-CD 3.43Å; H155-K383 WeakPolarHBondContact CD2-CD 3.18Å; H155-K383 PolarHBondContact CE1-NZ 3.18Å; H155-K383 WeakPolarHBondContact NE2-CD 3.37Å; H155-K383 PolarHBondContact NE2-NZ 2.97Å
156	V	98.9	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.1	-44.3	172.6	175.4	0	0	0	0	110.1	V152 R153 E154 D158 Y159 I160 I174 L176 Y346 V382	V152-V156 HydrophobicContact CG1-CG2 4.41Å; V152-V156 VanDerWaalsContact O-CG2 3.25Å; V152-V156 WeakPolarHBondContact O-CG2 3.26Å; V152-V156 PolarHBondContact O-N 2.95Å; R153-V156 PolarHBondContact O-N 3.31Å; E154-V156 PolarHBondContact O-N 2.78Å; V156-D158 VanDerWaalsContact C-N 3.34Å; V156-D158 PolarHBondContact O-N 2.89Å; V156-Y159 WeakPolarHBondContact O-CB 3.35Å; V156-Y159 PolarHBondContact O-N 2.87Å; V156-I160 HydrophobicContact CG1-CD1 3.77Å; V156-I160 HydrophobicContact CG1-CG1 4.36Å; V156-I160 VanDerWaalsContact O-CG1 3.29Å; V156-I160 WeakPolarHBondContact O-CG1 3.44Å; V156-I160 PolarHBondContact O-N 3.22Å; V156-I174 HydrophobicContact CB-CD1 3.95Å; V156-I174 HydrophobicContact CB-CG2 4.1Å; V156-I174 HydrophobicContact CG1-CD1 3.75Å; V156-I174 HydrophobicContact CG1-CG1 4.39Å; V156-I174 HydrophobicContact CG1-CG2 3.86Å; V156-L176 HydrophobicContact CG2-CD2 4.18Å; V156-Y346 HydrophobicContact CG1-CD1 3.68Å; V156-Y346 HydrophobicContact CG1-CD2 3.72Å; V156-Y346 HydrophobicContact CG1-CE1 3.64Å; V156-Y346 HydrophobicContact CG1-CE2 3.73Å; V156-Y346 HydrophobicContact CG1-CG 3.73Å; V156-Y346 HydrophobicContact CG2-CD1 3.98Å; V156-Y346 HydrophobicContact CG2-CE1 4.36Å; V156-Y346 HydrophobicContact CG2-CG 4.41Å; V156-V382 HydrophobicContact CG2-CB 4.44Å; V156-V382 HydrophobicContact CG2-CG1 4Å; V156-V382 HydrophobicContact CG2-CG2 3.93Å
157	S	98.8	Very high	98	Very high	10 Å²	10	39.1 Å²	39.1	7%	0.07	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-46.6	175.5	156.6	0	0	0	0	111.2	R153 E154 Y159 I160 R161 S169 I174	R153-S157 PolarHBondContact O-N 3.42Å; E154-S157 WeakPolarHBondContact O-CB 3.48Å; E154-S157 PolarHBondContact O-N 3.37Å; S157-Y159 VanDerWaalsContact C-N 3.35Å; S157-Y159 PolarHBondContact O-N 3.02Å; S157-I160 PolarHBondContact O-N 3.42Å; S157-R161 WeakPolarHBondContact O-CB 3.4Å; S157-R161 PolarHBondContact O-N 3.22Å; S157-S169 WeakPolarHBondContact CA-OG 3.38Å; S157-S169 WeakPolarHBondContact O-CB 3.37Å; S157-S169 PolarHBondContact OG-O 3.23Å; S157-I174 VanDerWaalsContact CA-CD1 3.48Å; S157-I174 VanDerWaalsContact N-CD1 3.26Å
158	D	98.7	Very high	98	Very high	53 Å²	53	42 Å²	42	28%	0.283	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-41	176.4	-87.5	-26.3	0	0	0	113	E154 H155 V156 R161 K162	E154-D158 PolarHBondContact O-N 3.37Å; H155-D158 PolarHBondContact O-N 2.83Å; V156-D158 VanDerWaalsContact C-N 3.34Å; V156-D158 PolarHBondContact O-N 2.89Å; D158-R161 PolarHBondContact O-N 3.43Å; D158-R161 IonicContact OD1-CZ 2.71Å; D158-R161 IonicContact OD1-NE 3.69Å; D158-R161 IonicContact OD1-NH2 3.41Å; D158-R161 PolarHBondContact OD1-NH2 2.79Å; D158-K162 WeakPolarHBondContact O-CB 3.36Å; D158-K162 VanDerWaalsContact O-CG 3.27Å; D158-K162 WeakPolarHBondContact O-CG 3.45Å; D158-K162 PolarHBondContact O-N 3.25Å
159	Y	98.4	Very high	98	Very high	39 Å²	39	42.8 Å²	42.8	15%	0.153	23%	0.234	C	C	.	.	H	α-helix	trans	-61.8	-47.8	175.5	168.9	-97.1	0	0	0	111.8	H155 V156 S157 K162 R163 Q297 V382	H155-Y159 WeakPolarHBondContact O-CB 3.13Å; H155-Y159 PolarHBondContact O-N 3.27Å; V156-Y159 WeakPolarHBondContact O-CB 3.35Å; V156-Y159 PolarHBondContact O-N 2.87Å; S157-Y159 VanDerWaalsContact C-N 3.35Å; S157-Y159 PolarHBondContact O-N 3.02Å; Y159-K162 PolarHBondContact O-N 2.91Å; Y159-R163 VanDerWaalsContact O-CB 3.26Å; Y159-R163 WeakPolarHBondContact O-CB 3.17Å; Y159-R163 PolarHBondContact O-N 2.91Å; Y159-Q297 PolarHBondContact OH-NE2 3.38Å; Y159-V382 WeakPolarHBondContact CB-O 3.45Å; Y159-V382 HydrophobicContact CD1-CB 4.21Å; Y159-V382 HydrophobicContact CD1-CG1 3.92Å; Y159-V382 HydrophobicContact CD2-CB 4.1Å; Y159-V382 HydrophobicContact CD2-CG1 4.48Å; Y159-V382 VanDerWaalsContact CD2-O 3.28Å; Y159-V382 WeakPolarHBondContact CD2-O 3.29Å; Y159-V382 HydrophobicContact CE1-CG1 4.44Å; Y159-V382 HydrophobicContact CG-CB 3.71Å; Y159-V382 HydrophobicContact CG-CG1 3.95Å
160	I	98.5	Very high	98	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-47.3	177.7	-68.6	168.5	0	0	0	109.9	V156 S157 K162 R163 D164 I174 K311 Y346 E348	V156-I160 HydrophobicContact CG1-CD1 3.77Å; V156-I160 HydrophobicContact CG1-CG1 4.36Å; V156-I160 VanDerWaalsContact O-CG1 3.29Å; V156-I160 WeakPolarHBondContact O-CG1 3.44Å; V156-I160 PolarHBondContact O-N 3.22Å; S157-I160 PolarHBondContact O-N 3.42Å; I160-K162 VanDerWaalsContact C-N 3.32Å; I160-K162 PolarHBondContact O-N 2.82Å; I160-R163 PolarHBondContact O-N 3.47Å; I160-D164 VanDerWaalsContact O-CB 3.29Å; I160-D164 WeakPolarHBondContact O-CB 3.38Å; I160-D164 PolarHBondContact O-N 3.13Å; I160-I174 HydrophobicContact CD1-CD1 4.34Å; I160-K311 HydrophobicContact CG2-CD 4.18Å; I160-Y346 HydrophobicContact CD1-CE2 3.81Å; I160-Y346 HydrophobicContact CG1-CE2 4.47Å; I160-E348 HydrophobicContact CD1-CB 3.89Å; I160-E348 HydrophobicContact CD1-CG 4.23Å; I160-E348 WeakPolarHBondContact CG2-OE2 3.29Å
161	R	98.5	Very high	98	Very high	116 Å²	116	41.5 Å²	41.5	44%	0.438	24%	0.239	S	C	.	.	H	α-helix	trans	-56.3	-45.4	177.3	179.8	177.5	62.9	140.8	-4.6	111.6	S157 D158 G165 G166 I167	S157-R161 WeakPolarHBondContact O-CB 3.4Å; S157-R161 PolarHBondContact O-N 3.22Å; D158-R161 PolarHBondContact O-N 3.43Å; D158-R161 IonicContact OD1-CZ 2.71Å; D158-R161 IonicContact OD1-NE 3.69Å; D158-R161 IonicContact OD1-NH2 3.41Å; D158-R161 PolarHBondContact OD1-NH2 2.79Å; R161-G165 PolarHBondContact O-N 2.96Å; R161-G166 WeakPolarHBondContact O-CA 3.37Å; R161-G166 PolarHBondContact O-N 2.86Å; R161-I167 WeakPolarHBondContact CA-O 3.42Å
162	K	97.1	Very high	97.9	Very high	153 Å²	153	45.3 Å²	45.3	67%	0.665	26%	0.256	S	S	*	.	H	α-helix	trans	-66.4	-47.9	177.1	-72.6	170.6	-176	174.8	0	111.9	D158 Y159 I160 D164 G165	D158-K162 WeakPolarHBondContact O-CB 3.36Å; D158-K162 VanDerWaalsContact O-CG 3.27Å; D158-K162 WeakPolarHBondContact O-CG 3.45Å; D158-K162 PolarHBondContact O-N 3.25Å; Y159-K162 PolarHBondContact O-N 2.91Å; I160-K162 VanDerWaalsContact C-N 3.32Å; I160-K162 PolarHBondContact O-N 2.82Å; K162-D164 VanDerWaalsContact C-N 3.27Å; K162-D164 PolarHBondContact O-N 3.23Å; K162-G165 PolarHBondContact O-N 3.15Å
163	R	95.6	Very high	97.9	Very high	51 Å²	51	47.5 Å²	47.5	19%	0.192	27%	0.267	C	S	.	.	H	α-helix	trans	-56.1	-43.1	177.7	-176.7	-164.3	70.8	173.8	-4.4	111.5	Y159 I160 G165 E294 S309	Y159-R163 VanDerWaalsContact O-CB 3.26Å; Y159-R163 WeakPolarHBondContact O-CB 3.17Å; Y159-R163 PolarHBondContact O-N 2.91Å; I160-R163 PolarHBondContact O-N 3.47Å; R163-G165 VanDerWaalsContact C-N 3.3Å; R163-G165 PolarHBondContact O-N 2.9Å; R163-E294 IonicContact CZ-OE2 2.8Å; R163-E294 IonicContact NH1-OE2 3.04Å; R163-E294 PolarHBondContact NH1-OE2 3.12Å; R163-E294 IonicContact NH2-OE2 3.13Å; R163-S309 VanDerWaalsContact CZ-CB 3.49Å; R163-S309 VanDerWaalsContact NH2-CB 3.27Å; R163-S309 PolarHBondContact NH2-OG 3.05Å
164	D	97.4	Very high	97.9	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.011	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	18.2	-173.4	-64	-15.4	0	0	0	113	I160 K162 I167 S309 K312	I160-D164 VanDerWaalsContact O-CB 3.29Å; I160-D164 WeakPolarHBondContact O-CB 3.38Å; I160-D164 PolarHBondContact O-N 3.13Å; K162-D164 VanDerWaalsContact C-N 3.27Å; K162-D164 PolarHBondContact O-N 3.23Å; D164-I167 HydrophobicContact CB-CB 4.23Å; D164-I167 HydrophobicContact CB-CD1 4.28Å; D164-I167 VanDerWaalsContact O-CD1 3.3Å; D164-I167 WeakPolarHBondContact O-CD1 3.08Å; D164-I167 WeakPolarHBondContact O-CG1 3.45Å; D164-S309 VanDerWaalsContact CG-OG 3.26Å; D164-S309 PolarHBondContact OD1-OG 3.29Å; D164-S309 PolarHBondContact OD2-OG 2.93Å; D164-K312 HydrophobicContact CB-CB 4.09Å
165	G	95.2	Very high	97.9	Very high	66 Å²	66	43.7 Å²	43.7	68%	0.68	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	29.6	170.4	0	0	0	0	0	114.9	R161 K162 R163	R161-G165 PolarHBondContact O-N 2.96Å; K162-G165 PolarHBondContact O-N 3.15Å; R163-G165 VanDerWaalsContact C-N 3.3Å; R163-G165 PolarHBondContact O-N 2.9Å
166	G	97.1	Very high	97.9	Very high	53 Å²	53	43 Å²	43	55%	0.546	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.9	-3	177.5	0	0	0	0	0	114.8	R161 A168	R161-G166 WeakPolarHBondContact O-CA 3.37Å; R161-G166 PolarHBondContact O-N 2.86Å; G166-A168 PolarHBondContact O-N 2.98Å
167	I	98	Very high	97.8	Very high	17 Å²	17	43.2 Å²	43.2	9%	0.087	25%	0.249	C	C	.	.			trans	-59.5	129.7	175.4	-63.1	168.5	0	0	0	109.5	R161 D164 K312 H315 E316	R161-I167 WeakPolarHBondContact CA-O 3.42Å; D164-I167 HydrophobicContact CB-CB 4.23Å; D164-I167 HydrophobicContact CB-CD1 4.28Å; D164-I167 VanDerWaalsContact O-CD1 3.3Å; D164-I167 WeakPolarHBondContact O-CD1 3.08Å; D164-I167 WeakPolarHBondContact O-CG1 3.45Å; I167-K312 HydrophobicContact CD1-CB 4.24Å; I167-K312 HydrophobicContact CD1-CG 3.97Å; I167-H315 HydrophobicContact CD1-CB 3.83Å; I167-H315 HydrophobicContact CG2-CB 4.27Å; I167-E316 HydrophobicContact CD1-CG 4.48Å
168	A	97.2	Very high	97.8	Very high	81 Å²	81	44.8 Å²	44.8	67%	0.669	26%	0.256	S	S	*	.			trans	-58.4	143.3	-176.2	0	0	0	0	0	112.2	G166 K311	G166-A168 PolarHBondContact O-N 2.98Å; A168-K311 WeakPolarHBondContact O-CE 3.2Å; A168-K311 PolarHBondContact O-NZ 3.47Å
169	S	98.2	Very high	97.7	Very high	16 Å²	16	42.2 Å²	42.2	11%	0.112	24%	0.243	C	C	.	.			trans	-133.7	133.1	171.1	-179.4	0	0	0	0	107.2	S157 E348	S157-S169 WeakPolarHBondContact CA-OG 3.38Å; S157-S169 WeakPolarHBondContact O-CB 3.37Å; S157-S169 PolarHBondContact OG-O 3.23Å; S169-E348 VanDerWaalsContact CB-OE1 3.28Å; S169-E348 WeakPolarHBondContact CB-OE1 3.49Å; S169-E348 PolarHBondContact OG-OE1 2.74Å
170	D	97.9	Very high	97.7	Very high	78 Å²	78	40.7 Å²	40.7	42%	0.417	24%	0.238	S	C	.	.			trans	-101.2	122.3	-178.9	-175	-12.6	0	0	0	109.4	E172 N173	D170-E172 PolarHBondContact O-N 3.15Å; D170-E172 VanDerWaalsContact O-N 3.11Å; D170-E172 WeakPolarHBondContact OD1-CB 3.43Å; D170-E172 PolarHBondContact OD1-N 3.17Å; D170-N173 HydrophobicContact CB-CB 4.29Å; D170-N173 WeakPolarHBondContact O-CB 3.38Å; D170-N173 PolarHBondContact O-N 3.17Å
171	P	98.3	Very high	97.6	Very high	30 Å²	30	42.2 Å²	42.2	20%	0.195	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-52.4	-28	172.7	-24.9	34.1	0	0	0	114.2	R153 E154 N173 I174	R153-P171 HydrophobicContact CB-CB 4.37Å; R153-P171 PolarHBondContact NH1-O 3.18Å; E154-P171 HydrophobicContact CG-CB 4.19Å; E154-P171 HydrophobicContact CG-CG 4.05Å; P171-N173 PolarHBondContact O-N 3.07Å; P171-I174 PolarHBondContact O-N 3.46Å
172	E	97.6	Very high	97.5	Very high	87 Å²	87	38.5 Å²	38.5	41%	0.407	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-72.9	-15.2	176.9	-71.4	-54.4	119.1	0	0	113.9	R153 D170 K361	R153-E172 IonicContact CZ-OE1 3.02Å; R153-E172 IonicContact NH1-OE1 3.93Å; R153-E172 PolarHBondContact NH1-OE1 3.05Å; R153-E172 IonicContact NH1-OE2 2.72Å; R153-E172 IonicContact NH2-OE1 3.97Å; R153-E172 PolarHBondContact NH2-OE1 3.5Å; D170-E172 PolarHBondContact O-N 3.15Å; D170-E172 VanDerWaalsContact O-N 3.11Å; D170-E172 WeakPolarHBondContact OD1-CB 3.43Å; D170-E172 PolarHBondContact OD1-N 3.17Å; E172-K361 WeakPolarHBondContact O-CE 3.47Å; E172-K361 PolarHBondContact O-NZ 3.19Å; E172-K361 IonicContact OE2-NZ 3.34Å; E172-K361 PolarHBondContact OE2-NZ 3.43Å; E172-K361 VanDerWaalsContact OE2-NZ 3.14Å
173	N	98.1	Very high	97.6	Very high	45 Å²	45	31.2 Å²	31.2	24%	0.241	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-96.2	5.2	174.5	-73.4	-23	0	0	0	113	D170 P171 I349 L357	D170-N173 HydrophobicContact CB-CB 4.29Å; D170-N173 WeakPolarHBondContact O-CB 3.38Å; D170-N173 PolarHBondContact O-N 3.17Å; P171-N173 PolarHBondContact O-N 3.07Å; N173-I349 VanDerWaalsContact CB-O 3.28Å; N173-I349 WeakPolarHBondContact CB-O 3.23Å; N173-I349 PolarHBondContact O-N 3.14Å; N173-L357 VanDerWaalsContact OD1-CD2 3.31Å; N173-L357 WeakPolarHBondContact OD1-CD2 3.21Å
174	I	98.6	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	132	-179.3	-63.4	170.3	0	0	0	109.8	R153 V156 S157 I160 P171 L176 A347 E348	R153-I174 HydrophobicContact CB-CB 4.39Å; R153-I174 HydrophobicContact CB-CG2 4.31Å; R153-I174 WeakPolarHBondContact CD-O 3.43Å; R153-I174 HydrophobicContact CG-CB 4.41Å; R153-I174 HydrophobicContact CG-CG2 4.09Å; R153-I174 WeakPolarHBondContact O-CD1 3.46Å; V156-I174 HydrophobicContact CB-CD1 3.95Å; V156-I174 HydrophobicContact CB-CG2 4.1Å; V156-I174 HydrophobicContact CG1-CD1 3.75Å; V156-I174 HydrophobicContact CG1-CG1 4.39Å; V156-I174 HydrophobicContact CG1-CG2 3.86Å; S157-I174 VanDerWaalsContact CA-CD1 3.48Å; S157-I174 VanDerWaalsContact N-CD1 3.26Å; I160-I174 HydrophobicContact CD1-CD1 4.34Å; P171-I174 PolarHBondContact O-N 3.46Å; I174-L176 HydrophobicContact CG2-CD2 4.38Å; I174-A347 WeakPolarHBondContact CA-O 3.44Å; I174-E348 HydrophobicContact CG1-CB 4.44Å; I174-E348 HydrophobicContact CG1-CG 4.33Å
175	I	98.3	Very high	97.7	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.9	169.2	68.2	178.4	0	0	0	109.8	V147 A183 L187 Y346 A347 F360 I364	V147-I175 HydrophobicContact CB-CG2 4.47Å; V147-I175 HydrophobicContact CG1-CG2 4.18Å; I175-A183 HydrophobicContact CD1-CB 4.33Å; I175-L187 HydrophobicContact CD1-CD1 4.49Å; I175-Y346 CarbonylContact O-C 3.24Å; I175-Y346 WeakPolarHBondContact O-CA 3.24Å; I175-Y346 VanDerWaalsContact O-CB 3.24Å; I175-Y346 WeakPolarHBondContact O-CB 3.26Å; I175-A347 HydrophobicContact CD1-CB 3.94Å; I175-A347 HydrophobicContact CG1-CB 3.74Å; I175-A347 PolarHBondContact N-O 3.42Å; I175-A347 PolarHBondContact O-N 3.33Å; I175-F360 HydrophobicContact CD1-CE1 3.52Å; I175-F360 HydrophobicContact CD1-CZ 3.41Å; I175-F360 VanDerWaalsContact CD1-CZ 3.41Å; I175-F360 HydrophobicContact CG2-CE1 4Å; I175-I364 HydrophobicContact CG2-CD1 4.18Å
176	L	98.7	Very high	97.8	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	145.3	169.7	-53.1	-178.4	0	0	0	110.3	V147 V152 R153 V156 I174 G345 Q375	V147-L176 PolarHBondContact O-N 3.34Å; V152-L176 HydrophobicContact CB-CD1 3.72Å; V152-L176 HydrophobicContact CG1-CD1 3.53Å; V152-L176 HydrophobicContact CG1-CD2 4.11Å; R153-L176 HydrophobicContact CG-CD1 4.38Å; R153-L176 HydrophobicContact CG-CG 4.15Å; V156-L176 HydrophobicContact CG2-CD2 4.18Å; I174-L176 HydrophobicContact CG2-CD2 4.38Å; L176-G345 WeakPolarHBondContact CA-O 3.33Å; L176-Q375 HydrophobicContact CB-CG 3.94Å; L176-Q375 HydrophobicContact CD1-CB 3.87Å; L176-Q375 HydrophobicContact CD1-CG 3.63Å; L176-Q375 HydrophobicContact CG-CG 4.43Å
177	S	98.4	Very high	97.8	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.021	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	162.3	-171.2	65.6	0	0	0	0	112.2	G179 G345	S177-G179 WeakPolarHBondContact CB-O 3.5Å; S177-G179 PolarHBondContact O-N 2.82Å; S177-G179 PolarHBondContact OG-O 3.34Å; S177-G345 PolarHBondContact N-O 2.78Å; S177-G345 PolarHBondContact O-N 3.36Å
178	N	97.8	Very high	97.8	Very high	43 Å²	43	26 Å²	26	23%	0.23	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	74.5	174.1	-64.4	-58.1	0	0	0	110.8	E182 R343 S371	N178-E182 WeakPolarHBondContact CA-OE2 3.47Å; N178-E182 HydrophobicContact CB-CB 4.46Å; N178-E182 WeakPolarHBondContact CB-OE2 3.4Å; N178-E182 PolarHBondContact N-OE2 3.24Å; N178-E182 PolarHBondContact ND2-OE2 3.17Å; N178-R343 CarbonylContact C-O 3.57Å; N178-R343 WeakPolarHBondContact CA-O 3.39Å; N178-R343 HydrophobicContact CB-CB 3.87Å; N178-R343 PolarHBondContact O-NH2 3.03Å; N178-S371 WeakPolarHBondContact OD1-CB 3.48Å; N178-S371 PolarHBondContact OD1-N 3.4Å
179	G	97.4	Very high	97.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	69.6	171.8	-165.9	0	0	0	0	0	112.7	S177 S181 E182 R343	S177-G179 WeakPolarHBondContact CB-O 3.5Å; S177-G179 PolarHBondContact O-N 2.82Å; S177-G179 PolarHBondContact OG-O 3.34Å; G179-S181 PolarHBondContact O-N 3.13Å; G179-E182 PolarHBondContact O-N 3.29Å; G179-R343 PolarHBondContact N-O 3.48Å
180	A	97.6	Very high	97.6	Very high	6 Å²	6	27.5 Å²	27.5	5%	0.05	14%	0.141	C	C	.	.	H	α-helix	trans	-59.6	-31.7	178.8	0	0	0	0	0	113.3	E182 A183 I184 V295 F329	A180-E182 VanDerWaalsContact C-N 3.28Å; A180-E182 PolarHBondContact O-N 2.9Å; A180-A183 PolarHBondContact O-N 2.91Å; A180-A183 VanDerWaalsContact O-N 3.11Å; A180-I184 HydrophobicContact CB-CD1 4.26Å; A180-I184 WeakPolarHBondContact O-CG1 3.5Å; A180-I184 PolarHBondContact O-N 2.92Å; A180-V295 HydrophobicContact CB-CG1 3.51Å; A180-F329 HydrophobicContact CB-CB 4.12Å
181	S	96.9	Very high	97.5	Very high	32 Å²	32	25.4 Å²	25.4	22%	0.224	13%	0.128	C	C	.	.	H	α-helix	trans	-57.5	-38.7	-176.7	-49.9	0	0	0	0	113.6	G179 R185	G179-S181 PolarHBondContact O-N 3.13Å; S181-R185 WeakPolarHBondContact O-CB 3.42Å; S181-R185 WeakPolarHBondContact O-CD 3.48Å; S181-R185 WeakPolarHBondContact O-CG 3.23Å; S181-R185 PolarHBondContact O-N 2.88Å; S181-R185 VanDerWaalsContact O-N 3.13Å
182	E	97	Very high	97.2	Very high	38 Å²	38	27.6 Å²	27.6	18%	0.178	14%	0.139	C	C	.	.	H	α-helix	trans	-71.7	-39	179	-170.4	-165.6	160.6	0	0	111.7	N178 G179 A180 S186 K367	N178-E182 WeakPolarHBondContact CA-OE2 3.47Å; N178-E182 HydrophobicContact CB-CB 4.46Å; N178-E182 WeakPolarHBondContact CB-OE2 3.4Å; N178-E182 PolarHBondContact N-OE2 3.24Å; N178-E182 PolarHBondContact ND2-OE2 3.17Å; G179-E182 PolarHBondContact O-N 3.29Å; A180-E182 VanDerWaalsContact C-N 3.28Å; A180-E182 PolarHBondContact O-N 2.9Å; E182-S186 VanDerWaalsContact O-CB 3.23Å; E182-S186 WeakPolarHBondContact O-CB 3.42Å; E182-S186 PolarHBondContact O-N 3.47Å; E182-S186 PolarHBondContact O-OG 2.92Å; E182-K367 WeakPolarHBondContact OE1-CD 3.35Å; E182-K367 VanDerWaalsContact OE1-CE 3.23Å; E182-K367 WeakPolarHBondContact OE1-CE 3.47Å; E182-K367 IonicContact OE1-NZ 2.76Å; E182-K367 PolarHBondContact OE1-NZ 2.81Å; E182-K367 IonicContact OE2-NZ 3.24Å
183	A	98	Very high	96.9	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	15%	0.153	C	C	.	.	H	α-helix	trans	-63.9	-47.6	175.7	0	0	0	0	0	111.4	I175 A180 R185 S186 L187 F329 A347	I175-A183 HydrophobicContact CD1-CB 4.33Å; A180-A183 PolarHBondContact O-N 2.91Å; A180-A183 VanDerWaalsContact O-N 3.11Å; A183-R185 PolarHBondContact O-N 3.37Å; A183-S186 PolarHBondContact O-N 3.26Å; A183-L187 PolarHBondContact O-N 3.49Å; A183-F329 HydrophobicContact CB-CD1 3.8Å; A183-F329 HydrophobicContact CB-CE1 3.92Å; A183-A347 HydrophobicContact CB-CB 3.82Å
184	I	98.4	Very high	96.3	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-55.4	-51.1	177.2	-69.6	161.7	0	0	0	110.4	A180 S186 L187 M188 L212 Y213 F291 D293 F329	A180-I184 HydrophobicContact CB-CD1 4.26Å; A180-I184 WeakPolarHBondContact O-CG1 3.5Å; A180-I184 PolarHBondContact O-N 2.92Å; I184-S186 PolarHBondContact O-N 3.4Å; I184-L187 PolarHBondContact O-N 3.17Å; I184-M188 HydrophobicContact CG2-CE 4.27Å; I184-M188 WeakPolarHBondContact O-CB 3.5Å; I184-M188 PolarHBondContact O-N 3.09Å; I184-L212 HydrophobicContact CB-CD2 4.2Å; I184-L212 HydrophobicContact CD1-CD2 3.63Å; I184-L212 HydrophobicContact CG2-CD2 4.1Å; I184-Y213 WeakPolarHBondContact CD1-OH 3.34Å; I184-Y213 HydrophobicContact CG2-CD1 4.43Å; I184-Y213 HydrophobicContact CG2-CE1 3.8Å; I184-F291 HydrophobicContact CG2-CD2 4.48Å; I184-D293 WeakPolarHBondContact CD1-OD2 3.36Å; I184-F329 HydrophobicContact CB-CE1 4.29Å; I184-F329 HydrophobicContact CB-CZ 4.5Å; I184-F329 HydrophobicContact CD1-CD2 4.5Å; I184-F329 HydrophobicContact CD1-CG 4.29Å; I184-F329 HydrophobicContact CG1-CB 4.46Å; I184-F329 HydrophobicContact CG1-CD1 3.58Å; I184-F329 HydrophobicContact CG1-CD2 3.88Å; I184-F329 HydrophobicContact CG1-CE1 3.64Å; I184-F329 HydrophobicContact CG1-CE2 3.98Å; I184-F329 HydrophobicContact CG1-CG 3.7Å; I184-F329 HydrophobicContact CG1-CZ 3.86Å
185	R	97.4	Very high	95.8	Very high	63 Å²	63	35.9 Å²	35.9	24%	0.238	18%	0.176	C	C	.	.	H	α-helix	trans	-61.3	-44.8	178.3	-72.1	171.3	61.8	79.2	-1.7	111.9	S181 A183 L187 M188 K189 L212 T216 E219 Y220	S181-R185 WeakPolarHBondContact O-CB 3.42Å; S181-R185 WeakPolarHBondContact O-CD 3.48Å; S181-R185 WeakPolarHBondContact O-CG 3.23Å; S181-R185 PolarHBondContact O-N 2.88Å; S181-R185 VanDerWaalsContact O-N 3.13Å; A183-R185 PolarHBondContact O-N 3.37Å; R185-L187 VanDerWaalsContact C-N 3.35Å; R185-L187 PolarHBondContact O-N 3.16Å; R185-M188 PolarHBondContact O-N 3.27Å; R185-K189 PolarHBondContact O-N 3.21Å; R185-L212 HydrophobicContact CG-CD1 4.09Å; R185-T216 HydrophobicContact CB-CG2 4.37Å; R185-T216 HydrophobicContact CG-CG2 3.81Å; R185-T216 WeakPolarHBondContact CG-OG1 3.43Å; R185-T216 PolarHBondContact NH1-OG1 3.02Å; R185-T216 VanDerWaalsContact NH1-OG1 3.17Å; R185-E219 IonicContact CZ-OE1 3.07Å; R185-E219 IonicContact CZ-OE2 3.42Å; R185-E219 IonicContact NH1-OE2 2.78Å; R185-E219 PolarHBondContact NH1-OE2 2.85Å; R185-E219 IonicContact NH2-OE1 2.68Å; R185-E219 PolarHBondContact NH2-OE1 3.42Å; R185-E219 IonicContact NH2-OE2 3.14Å; R185-E219 PolarHBondContact NH2-OE2 3.11Å; R185-Y220 WeakPolarHBondContact O-CE2 3.43Å
186	S	96.9	Very high	95.3	Very high	15 Å²	15	42.2 Å²	42.2	11%	0.105	22%	0.22	C	C	.	.	H	α-helix	trans	-65.6	-36	-177.6	-63.4	0	0	0	0	112.9	E182 A183 I184 K189 F360	E182-S186 VanDerWaalsContact O-CB 3.23Å; E182-S186 WeakPolarHBondContact O-CB 3.42Å; E182-S186 PolarHBondContact O-N 3.47Å; E182-S186 PolarHBondContact O-OG 2.92Å; A183-S186 PolarHBondContact O-N 3.26Å; I184-S186 PolarHBondContact O-N 3.4Å; S186-K189 WeakPolarHBondContact O-CD 3.3Å; S186-K189 WeakPolarHBondContact O-CE 3.32Å; S186-K189 WeakPolarHBondContact O-CG 3.3Å; S186-F360 WeakPolarHBondContact O-CE2 3.44Å
187	L	98.1	Very high	94.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-79.4	-40.8	175.6	-76.6	159.7	0	0	0	111.2	I175 A183 I184 R185 K189 L190 F191 F291 A327 F329 A347 I349 M352 F360	I175-L187 HydrophobicContact CD1-CD1 4.49Å; A183-L187 PolarHBondContact O-N 3.49Å; I184-L187 PolarHBondContact O-N 3.17Å; R185-L187 VanDerWaalsContact C-N 3.35Å; R185-L187 PolarHBondContact O-N 3.16Å; L187-K189 PolarHBondContact O-N 3.04Å; L187-L190 HydrophobicContact CD2-CD1 4.12Å; L187-L190 VanDerWaalsContact O-CB 3.3Å; L187-L190 WeakPolarHBondContact O-CB 3.41Å; L187-L190 WeakPolarHBondContact O-CG 3.28Å; L187-L190 PolarHBondContact O-N 3.21Å; L187-L190 VanDerWaalsContact O-N 3.09Å; L187-F191 WeakPolarHBondContact O-CD2 3.43Å; L187-F291 HydrophobicContact CB-CE1 4.09Å; L187-F291 HydrophobicContact CB-CE2 4.14Å; L187-F291 HydrophobicContact CB-CZ 3.41Å; L187-F291 VanDerWaalsContact CB-CZ 3.41Å; L187-A327 HydrophobicContact CD1-CB 3.87Å; L187-F329 HydrophobicContact CD1-CE1 3.68Å; L187-F329 HydrophobicContact CD1-CZ 3.89Å; L187-A347 HydrophobicContact CD1-CB 4.08Å; L187-I349 HydrophobicContact CD1-CD1 4.22Å; L187-I349 HydrophobicContact CD1-CG1 4.12Å; L187-I349 HydrophobicContact CD2-CD1 3.73Å; L187-I349 HydrophobicContact CD2-CG1 4.21Å; L187-M352 HydrophobicContact CD2-CE 3.89Å; L187-F360 HydrophobicContact CD2-CD1 4.12Å; L187-F360 HydrophobicContact CD2-CD2 4.04Å; L187-F360 HydrophobicContact CD2-CE1 3.89Å; L187-F360 HydrophobicContact CD2-CE2 3.79Å; L187-F360 HydrophobicContact CD2-CG 4.19Å; L187-F360 HydrophobicContact CD2-CZ 3.71Å; L187-F360 HydrophobicContact CG-CE1 4.3Å; L187-F360 HydrophobicContact CG-CE2 3.86Å; L187-F360 HydrophobicContact CG-CZ 3.7Å
188	M	97.9	Very high	94.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.6	-34.6	178.6	-170.1	177.6	-67.6	0	0	112.4	I184 R185 L190 F191 V203 Y213 T216 T217 I222 L257 F291	I184-M188 HydrophobicContact CG2-CE 4.27Å; I184-M188 WeakPolarHBondContact O-CB 3.5Å; I184-M188 PolarHBondContact O-N 3.09Å; R185-M188 PolarHBondContact O-N 3.27Å; M188-L190 PolarHBondContact O-N 2.87Å; M188-L190 VanDerWaalsContact O-N 3.16Å; M188-F191 PolarHBondContact O-N 2.99Å; M188-F191 VanDerWaalsContact O-N 3.13Å; M188-V203 HydrophobicContact CE-CG1 4.19Å; M188-Y213 HydrophobicContact CE-CD1 3.81Å; M188-Y213 HydrophobicContact CE-CE1 4.24Å; M188-T216 HydrophobicContact CG-CG2 4.47Å; M188-T216 HydrophobicContact SD-CG2 3.58Å; M188-T216 VanDerWaalsContact SD-CG2 3.58Å; M188-T217 HydrophobicContact SD-CG2 3.99Å; M188-I222 HydrophobicContact CG-CD1 3.9Å; M188-I222 HydrophobicContact SD-CD1 4.39Å; M188-L257 HydrophobicContact CE-CD2 4.33Å; M188-L257 HydrophobicContact CG-CD2 4.21Å; M188-F291 HydrophobicContact CB-CE2 4.11Å
189	K	95.5	Very high	94.4	Very high	68 Å²	68	49.4 Å²	49.4	30%	0.296	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-59.5	-26.5	178.3	88.8	-164.4	171.3	-179.3	0	113.3	R185 S186 L187 F191 N192 Y220 S363	R185-K189 PolarHBondContact O-N 3.21Å; S186-K189 WeakPolarHBondContact O-CD 3.3Å; S186-K189 WeakPolarHBondContact O-CE 3.32Å; S186-K189 WeakPolarHBondContact O-CG 3.3Å; L187-K189 PolarHBondContact O-N 3.04Å; K189-F191 PolarHBondContact O-N 2.68Å; K189-N192 WeakPolarHBondContact O-CB 2.81Å; K189-N192 PolarHBondContact O-N 2.58Å; K189-Y220 HydrophobicContact CB-CD2 4.23Å; K189-Y220 HydrophobicContact CB-CE2 3.68Å; K189-S363 VanDerWaalsContact CE-OG 3.29Å; K189-S363 WeakPolarHBondContact CE-OG 3.3Å; K189-S363 PolarHBondContact NZ-OG 3Å
190	L	96	Very high	94.3	Very high	61 Å²	61	51.5 Å²	51.5	32%	0.319	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-63.9	-26.8	-179.9	-61.3	178.3	0	0	0	112.2	L187 M188 N192 M352 F360	L187-L190 HydrophobicContact CD2-CD1 4.12Å; L187-L190 VanDerWaalsContact O-CB 3.3Å; L187-L190 WeakPolarHBondContact O-CB 3.41Å; L187-L190 WeakPolarHBondContact O-CG 3.28Å; L187-L190 PolarHBondContact O-N 3.21Å; L187-L190 VanDerWaalsContact O-N 3.09Å; M188-L190 PolarHBondContact O-N 2.87Å; M188-L190 VanDerWaalsContact O-N 3.16Å; L190-N192 VanDerWaalsContact C-N 3.32Å; L190-M352 HydrophobicContact CD1-CE 4.42Å; L190-F360 HydrophobicContact CD1-CB 3.86Å; L190-F360 HydrophobicContact CD1-CD2 3.68Å; L190-F360 HydrophobicContact CD1-CG 3.98Å; L190-F360 HydrophobicContact CD2-CB 4.31Å; L190-F360 HydrophobicContact CD2-CD2 4.07Å; L190-F360 HydrophobicContact CG-CD2 4.08Å
191	F	95.1	Very high	94.3	Very high	33 Å²	33	51.2 Å²	51.2	15%	0.145	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-81.7	-12.4	-178.9	-64	-88.7	0	0	0	112.8	L187 M188 K189 R193 V201 A256 L257 F289 F291	L187-F191 WeakPolarHBondContact O-CD2 3.43Å; M188-F191 PolarHBondContact O-N 2.99Å; M188-F191 VanDerWaalsContact O-N 3.13Å; K189-F191 PolarHBondContact O-N 2.68Å; F191-R193 PolarHBondContact O-N 3.18Å; F191-V201 HydrophobicContact CB-CG1 4.38Å; F191-V201 HydrophobicContact CB-CG2 4.17Å; F191-V201 WeakPolarHBondContact O-CB 3.43Å; F191-V201 WeakPolarHBondContact O-CG1 3.4Å; F191-A256 HydrophobicContact CD1-CB 4.12Å; F191-L257 HydrophobicContact CD2-CD2 4.18Å; F191-L257 HydrophobicContact CE2-CD2 4.22Å; F191-F289 HydrophobicContact CE1-CB 3.79Å; F191-F289 HydrophobicContact CE1-CD2 4.35Å; F191-F289 HydrophobicContact CE1-CG 4.17Å; F191-F289 HydrophobicContact CZ-CB 3.66Å; F191-F289 HydrophobicContact CZ-CD1 4.07Å; F191-F289 AromaticContact CZ-CD2 3.81Å; F191-F289 HydrophobicContact CZ-CD2 3.81Å; F191-F289 HydrophobicContact CZ-CE2 4.48Å; F191-F289 AromaticContact CZ-CG 3.58Å; F191-F289 HydrophobicContact CZ-CG 3.58Å; F191-F291 HydrophobicContact CE2-CE1 4.2Å; F191-F291 HydrophobicContact CE2-CZ 4.06Å
192	N	91.5	Very high	94.3	Very high	77 Å²	77	49.7 Å²	49.7	41%	0.412	28%	0.284	S	S	.	.			trans	-73.3	68.3	-172.4	-168.1	15.8	0	0	0	112.8	K189 L190 Y220 I222	K189-N192 WeakPolarHBondContact O-CB 2.81Å; K189-N192 PolarHBondContact O-N 2.58Å; L190-N192 VanDerWaalsContact C-N 3.32Å; N192-Y220 VanDerWaalsContact CG-O 3.27Å; N192-Y220 PolarHBondContact ND2-O 2.57Å; N192-Y220 PolarHBondContact OD1-O 3.11Å; N192-Y220 VanDerWaalsContact OD1-O 3.14Å; N192-I222 HydrophobicContact CB-CD1 4.37Å; N192-I222 HydrophobicContact CB-CG1 4.45Å
193	R	91.4	Very high	94.4	Very high	190 Å²	190	47.9 Å²	47.9	72%	0.717	28%	0.275	S	S	*	.			trans	-139.7	118.8	177.6	-178.4	-175.9	174	-132.2	-1.7	108.7	F191	F191-R193 PolarHBondContact O-N 3.18Å
194	P	86.5	Confident	94.4	Very high	73 Å²	73	47.9 Å²	47.9	47%	0.474	28%	0.275	S	S	.	.			trans	-57.4	150.3	170.3	-22.9	33.4	0	0	0	111.6	K199	P194-K199 CarbonylContact C-O 3.58Å; P194-K199 WeakPolarHBondContact CA-O 3.38Å
195	D	87.5	Confident	94.4	Very high	43 Å²	43	47.9 Å²	47.9	23%	0.23	28%	0.275	C	S	.	.			trans	-72.2	177.7	170.8	75.3	11.3	0	0	0	112	G197 G198 K199 R254	D195-G197 PolarHBondContact O-N 3.26Å; D195-G197 WeakPolarHBondContact OD1-CA 3.41Å; D195-G197 PolarHBondContact OD1-N 2.82Å; D195-G198 PolarHBondContact O-N 3.45Å; D195-G198 PolarHBondContact OD1-N 3.14Å; D195-G198 VanDerWaalsContact OD1-N 3.09Å; D195-K199 PolarHBondContact N-O 2.84Å; D195-K199 PolarHBondContact OD1-N 2.98Å; D195-K199 WeakPolarHBondContact OD2-CB 3.45Å; D195-R254 HydrophobicContact CB-CB 4.45Å
196	S	88.1	Confident	94.4	Very high	138 Å²	138	45.4 Å²	45.4	97%	0.965	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-22	179.9	51.7	0	0	0	0	113.8	G198	S196-G198 VanDerWaalsContact C-N 3.33Å
197	G	90.1	Very high	94.5	Very high	67 Å²	67	45.3 Å²	45.3	69%	0.691	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	4.3	174.5	0	0	0	0	0	113.5	D195 K199	D195-G197 PolarHBondContact O-N 3.26Å; D195-G197 WeakPolarHBondContact OD1-CA 3.41Å; D195-G197 PolarHBondContact OD1-N 2.82Å; G197-K199 VanDerWaalsContact C-N 3.29Å; G197-K199 PolarHBondContact O-N 2.89Å
198	G	91.3	Very high	94.5	Very high	54 Å²	54	45.4 Å²	45.4	56%	0.557	27%	0.266	S	S	*	.			trans	78.6	6.1	-177.8	0	0	0	0	0	114.4	D195 S196	D195-G198 PolarHBondContact O-N 3.45Å; D195-G198 PolarHBondContact OD1-N 3.14Å; D195-G198 VanDerWaalsContact OD1-N 3.09Å; S196-G198 VanDerWaalsContact C-N 3.33Å
199	K	93.6	Very high	94.2	Very high	78 Å²	78	45.6 Å²	45.6	34%	0.339	27%	0.267	S	S	.	.	P	Polyproline II helix	trans	-70.3	136	176.4	-64.6	-177.8	175.2	-177.8	0	109.8	P194 D195 G197 R250 P251	P194-K199 CarbonylContact C-O 3.58Å; P194-K199 WeakPolarHBondContact CA-O 3.38Å; D195-K199 PolarHBondContact N-O 2.84Å; D195-K199 PolarHBondContact OD1-N 2.98Å; D195-K199 WeakPolarHBondContact OD2-CB 3.45Å; G197-K199 VanDerWaalsContact C-N 3.29Å; G197-K199 PolarHBondContact O-N 2.89Å; K199-R250 PolarHBondContact NZ-O 3.29Å; K199-P251 VanDerWaalsContact CE-O 3.23Å; K199-P251 WeakPolarHBondContact CE-O 3.44Å; K199-P251 PolarHBondContact NZ-O 3.16Å
200	P	96	Very high	94.2	Very high	43 Å²	43	44.4 Å²	44.4	28%	0.279	26%	0.261	S	S	.	.	P	Polyproline II helix	trans	-64.8	158.3	173.8	29.8	-36	0	0	0	110.7	C253 R254	P200-C253 HydrophobicContact CG-CB 4.25Å; P200-C253 CarbonylContact O-C 3.39Å; P200-C253 VanDerWaalsContact O-CA 3.3Å; P200-C253 WeakPolarHBondContact O-CA 2.93Å; P200-C253 VanDerWaalsContact O-CB 3.3Å; P200-C253 WeakPolarHBondContact O-CB 3.48Å; P200-R254 PolarHBondContact O-N 3.3Å
201	V	97	Very high	94	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	143.6	169	70.9	0	0	0	0	110.4	F191 I222 Y223 R254 A256	F191-V201 HydrophobicContact CB-CG1 4.38Å; F191-V201 HydrophobicContact CB-CG2 4.17Å; F191-V201 WeakPolarHBondContact O-CB 3.43Å; F191-V201 WeakPolarHBondContact O-CG1 3.4Å; V201-I222 HydrophobicContact CG1-CB 4.22Å; V201-I222 HydrophobicContact CG1-CD1 4.13Å; V201-I222 HydrophobicContact CG1-CG1 3.65Å; V201-I222 HydrophobicContact CG1-CG2 4Å; V201-Y223 WeakPolarHBondContact O-CB 3.18Å; V201-Y223 PolarHBondContact O-N 2.83Å; V201-R254 CarbonylContact C-O 3.55Å; V201-R254 WeakPolarHBondContact CA-O 3.32Å; V201-A256 HydrophobicContact CG2-CB 3.46Å; V201-A256 VanDerWaalsContact CG2-CB 3.46Å
202	G	97.8	Very high	94	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	131.7	177	0	0	0	0	0	112.2	Y223 R254 A256	G202-Y223 CarbonylContact C-O 3.39Å; G202-Y223 VanDerWaalsContact CA-O 3.3Å; G202-Y223 WeakPolarHBondContact CA-O 3.15Å; G202-R254 PolarHBondContact N-O 3.4Å; G202-A256 PolarHBondContact O-N 2.99Å
203	V	98.5	Very high	94.2	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.1	174.8	176.5	0	0	0	0	109.4	M188 V205 T217 I222 Y223 I225 L257	M188-V203 HydrophobicContact CE-CG1 4.19Å; V203-V205 HydrophobicContact CG1-CG1 4.01Å; V203-T217 HydrophobicContact CB-CG2 4.08Å; V203-T217 HydrophobicContact CG1-CG2 4.29Å; V203-I222 HydrophobicContact CB-CG2 3.87Å; V203-I222 HydrophobicContact CG2-CD1 4.5Å; V203-I222 HydrophobicContact CG2-CG2 3.31Å; V203-Y223 PolarHBondContact N-O 3.19Å; V203-I225 PolarHBondContact O-N 2.85Å; V203-L257 WeakPolarHBondContact CA-O 3.4Å; V203-L257 HydrophobicContact CG1-CB 4.37Å; V203-L257 HydrophobicContact CG1-CD2 3.94Å; V203-L257 HydrophobicContact CG1-CG 4.04Å; V203-L257 HydrophobicContact CG2-CB 4.06Å; V203-L257 HydrophobicContact CG2-CD2 3.93Å; V203-L257 HydrophobicContact CG2-CG 4.35Å
204	M	98.7	Very high	94.4	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.9	177.2	-55.4	-178.3	81.2	0	0	111.2	I225 Y227 L242 L246 L257 L258 C259 F282 L288	M204-I225 CarbonylContact C-O 3.59Å; M204-I225 VanDerWaalsContact CA-O 3.26Å; M204-I225 WeakPolarHBondContact CA-O 3.43Å; M204-I225 HydrophobicContact CB-CB 4.42Å; M204-I225 HydrophobicContact CE-CG2 4.4Å; M204-I225 HydrophobicContact CG-CB 3.95Å; M204-I225 HydrophobicContact CG-CD1 4Å; M204-I225 HydrophobicContact CG-CG2 4.09Å; M204-Y227 HydrophobicContact CB-CD1 4.08Å; M204-Y227 HydrophobicContact CB-CE1 4.03Å; M204-Y227 HydrophobicContact CE-CD1 4.39Å; M204-L242 HydrophobicContact CE-CB 4.22Å; M204-L242 HydrophobicContact CE-CD2 3.55Å; M204-L242 HydrophobicContact CE-CG 4.49Å; M204-L242 WeakPolarHBondContact CE-O 3.48Å; M204-L246 HydrophobicContact CE-CB 4.06Å; M204-L246 HydrophobicContact CE-CD1 4.21Å; M204-L246 HydrophobicContact CG-CD1 4.42Å; M204-L246 HydrophobicContact SD-CD1 3.73Å; M204-L257 PolarHBondContact N-O 3.47Å; M204-L258 HydrophobicContact CB-CD1 3.62Å; M204-L258 HydrophobicContact SD-CD1 4.21Å; M204-C259 WeakPolarHBondContact O-CB 3.41Å; M204-C259 PolarHBondContact O-N 3.5Å; M204-F282 HydrophobicContact CE-CE1 4.09Å; M204-F282 HydrophobicContact CE-CZ 4.01Å; M204-F282 HydrophobicContact SD-CE1 3.88Å; M204-F282 HydrophobicContact SD-CZ 4.18Å; M204-L288 HydrophobicContact SD-CD1 3.62Å
205	V	98.2	Very high	94.7	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	140.4	-179.8	-53.6	0	0	0	0	110	V203 Y213 R224 I225 G226 Y227 C259	V203-V205 HydrophobicContact CG1-CG1 4.01Å; V205-Y213 HydrophobicContact CG1-CD1 4.37Å; V205-Y213 HydrophobicContact CG1-CG 4.37Å; V205-R224 HydrophobicContact CG2-CG 3.41Å; V205-R224 VanDerWaalsContact CG2-CG 3.41Å; V205-I225 PolarHBondContact N-O 2.9Å; V205-G226 WeakPolarHBondContact O-CA 3.11Å; V205-Y227 VanDerWaalsContact C-CD1 3.48Å; V205-Y227 VanDerWaalsContact O-CD1 3.23Å; V205-Y227 WeakPolarHBondContact O-CD1 3.39Å; V205-Y227 WeakPolarHBondContact O-CE1 3.35Å; V205-Y227 PolarHBondContact O-N 3.25Å; V205-Y227 VanDerWaalsContact O-N 3.13Å; V205-C259 HydrophobicContact CG1-CB 4.43Å
206	S	97.7	Very high	95.2	Very high	10 Å²	10	23.1 Å²	23.1	7%	0.07	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	150.1	-179.6	65	0	0	0	0	112.1	P208 Q209 Y227	S206-P208 CarbonylContact C-O 3.58Å; S206-P208 CarbonylContact O-C 3.59Å; S206-P208 VanDerWaalsContact O-C 3.29Å; S206-P208 PolarHBondContact OG-O 2.92Å; S206-P208 VanDerWaalsContact OG-O 3.1Å; S206-Q209 WeakPolarHBondContact O-CA 3.35Å; S206-Q209 WeakPolarHBondContact O-CB 3.36Å; S206-Q209 PolarHBondContact O-N 3.17Å; S206-Y227 CarbonylContact C-O 3.56Å; S206-Y227 VanDerWaalsContact CA-CZ 3.49Å; S206-Y227 WeakPolarHBondContact CA-O 3.2Å; S206-Y227 VanDerWaalsContact N-CE1 3.31Å
207	I	97.9	Very high	95.6	Very high	13 Å²	13	16.6 Å²	16.6	7%	0.067	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.1	169.2	-57.1	-63.7	0	0	0	108	Q209 Y227 Y228 L229 G497	I207-Q209 HydrophobicContact CD1-CB 4.34Å; I207-Q209 HydrophobicContact CD1-CG 4.44Å; I207-Y227 PolarHBondContact N-O 2.65Å; I207-Y228 HydrophobicContact CB-CD1 3.83Å; I207-Y228 HydrophobicContact CB-CE1 4.1Å; I207-Y228 HydrophobicContact CG2-CD1 3.7Å; I207-Y228 HydrophobicContact CG2-CE1 3.64Å; I207-Y228 WeakPolarHBondContact O-CA 3.42Å; I207-L229 PolarHBondContact O-N 2.99Å; I207-G497 VanDerWaalsContact CG2-C 3.41Å
208	P	97.4	Very high	95.8	Very high	2 Å²	2	15 Å²	15	1%	0.013	9%	0.093	C	C	.	.	S	Bend	cis	-65.3	147.4	0.4	29.4	-36.9	0	0	0	113.1	S206 W235 P266 T267 F451 F496 G497	S206-P208 CarbonylContact C-O 3.58Å; S206-P208 CarbonylContact O-C 3.59Å; S206-P208 VanDerWaalsContact O-C 3.29Å; S206-P208 PolarHBondContact OG-O 2.92Å; S206-P208 VanDerWaalsContact OG-O 3.1Å; P208-W235 HydrophobicContact CG-CE3 4.41Å; P208-W235 HydrophobicContact CG-CZ3 4.17Å; P208-P266 HydrophobicContact CB-CG 3.72Å; P208-P266 HydrophobicContact CG-CG 3.95Å; P208-T267 HydrophobicContact CG-CG2 3.37Å; P208-F451 HydrophobicContact CB-CD1 4.4Å; P208-F451 HydrophobicContact CB-CE1 3.75Å; P208-F451 HydrophobicContact CB-CZ 3.83Å; P208-F451 HydrophobicContact CG-CD1 3.94Å; P208-F451 HydrophobicContact CG-CE1 3.71Å; P208-F451 HydrophobicContact CG-CZ 4.27Å; P208-F496 CarbonylContact C-O 3.54Å; P208-F496 WeakPolarHBondContact CA-O 3.47Å; P208-F496 HydrophobicContact CB-CB 3.77Å; P208-G497 WeakPolarHBondContact CA-O 3.48Å; P208-G497 WeakPolarHBondContact CB-O 3.47Å
209	Q	93.3	Very high	96	Very high	5 Å²	5	14.9 Å²	14.9	2%	0.023	8%	0.078	C	C	.	.			trans	-108	161.1	-175.1	62	112.8	18.1	0	0	112.6	S206 I207 P211 S214 F496	S206-Q209 WeakPolarHBondContact O-CA 3.35Å; S206-Q209 WeakPolarHBondContact O-CB 3.36Å; S206-Q209 PolarHBondContact O-N 3.17Å; I207-Q209 HydrophobicContact CD1-CB 4.34Å; I207-Q209 HydrophobicContact CD1-CG 4.44Å; Q209-P211 VanDerWaalsContact NE2-CA 3.29Å; Q209-P211 VanDerWaalsContact OE1-CA 3.31Å; Q209-S214 PolarHBondContact NE2-OG 2.6Å; Q209-S214 VanDerWaalsContact OE1-CB 3.25Å; Q209-S214 VanDerWaalsContact OE1-N 3.14Å; Q209-S214 PolarHBondContact OE1-OG 3.19Å; Q209-F496 WeakPolarHBondContact CG-O 3.3Å; Q209-F496 PolarHBondContact N-O 3.48Å; Q209-F496 VanDerWaalsContact O-CD1 3.24Å; Q209-F496 WeakPolarHBondContact O-CD1 3.46Å
210	Y	94.3	Very high	96	Very high	42 Å²	42	13.4 Å²	13.4	17%	0.165	7%	0.071	C	C	.	.			trans	-85.7	121.5	160.7	175.2	-132.2	0	0	0	111.3	Y55 L212 Y213 I261 N265	Y55-Y210 PolarHBondContact OH-OH 2.96Å; Y210-L212 HydrophobicContact CD1-CB 3.62Å; Y210-L212 HydrophobicContact CD1-CD2 4.35Å; Y210-L212 HydrophobicContact CE1-CB 3.37Å; Y210-L212 HydrophobicContact CE1-CD2 3.91Å; Y210-L212 HydrophobicContact CE1-CG 4.29Å; Y210-L212 HydrophobicContact CG-CB 4.45Å; Y210-L212 PolarHBondContact O-N 2.67Å; Y210-Y213 HydrophobicContact CD1-CD2 4.36Å; Y210-Y213 HydrophobicContact CD1-CE2 4.25Å; Y210-Y213 WeakPolarHBondContact O-CD2 3.3Å; Y210-Y213 PolarHBondContact O-N 3.23Å; Y210-I261 VanDerWaalsContact CB-CD1 3.43Å; Y210-N265 WeakPolarHBondContact CD2-ND2 3.35Å
211	P	92.5	Very high	95.9	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.006	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-13.9	-170	-32.8	39.8	0	0	0	119.4	Y55 A56 V57 Q209 Y213 S214 A215 F496	Y55-P211 HydrophobicContact CD2-CB 3.84Å; Y55-P211 HydrophobicContact CE2-CB 3.84Å; Y55-P211 HydrophobicContact CG-CB 4.46Å; A56-P211 HydrophobicContact CB-CG 4.4Å; V57-P211 HydrophobicContact CG2-CB 4.31Å; V57-P211 HydrophobicContact CG2-CG 3.81Å; Q209-P211 VanDerWaalsContact NE2-CA 3.29Å; Q209-P211 VanDerWaalsContact OE1-CA 3.31Å; P211-Y213 VanDerWaalsContact C-N 3.25Å; P211-Y213 PolarHBondContact O-N 3.47Å; P211-S214 PolarHBondContact O-OG 3.03Å; P211-A215 WeakPolarHBondContact O-CB 3.43Å; P211-A215 PolarHBondContact O-N 3.38Å; P211-F496 HydrophobicContact CG-CD1 4.18Å; P211-F496 HydrophobicContact CG-CE1 4.22Å
212	L	94.7	Very high	95.9	Very high	11 Å²	11	12.6 Å²	12.6	6%	0.058	7%	0.068	C	C	.	.	H	α-helix	trans	-55.1	-44.2	169	173.5	66.5	0	0	0	111.7	I184 R185 Y210 T216	I184-L212 HydrophobicContact CB-CD2 4.2Å; I184-L212 HydrophobicContact CD1-CD2 3.63Å; I184-L212 HydrophobicContact CG2-CD2 4.1Å; R185-L212 HydrophobicContact CG-CD1 4.09Å; Y210-L212 HydrophobicContact CD1-CB 3.62Å; Y210-L212 HydrophobicContact CD1-CD2 4.35Å; Y210-L212 HydrophobicContact CE1-CB 3.37Å; Y210-L212 HydrophobicContact CE1-CD2 3.91Å; Y210-L212 HydrophobicContact CE1-CG 4.29Å; Y210-L212 HydrophobicContact CG-CB 4.45Å; Y210-L212 PolarHBondContact O-N 2.67Å; L212-T216 VanDerWaalsContact O-CB 3.25Å; L212-T216 WeakPolarHBondContact O-CB 2.85Å; L212-T216 PolarHBondContact O-N 3.05Å; L212-T216 PolarHBondContact O-OG1 3.26Å
213	Y	96.7	Very high	95.8	Very high	3 Å²	3	16 Å²	16	1%	0.012	8%	0.081	C	C	.	.	H	α-helix	trans	-69.4	-50.6	-174.7	-69.6	-85.3	0	0	0	110.8	I184 M188 V205 Y210 P211 A215 T216 T217 C259 I261 D293	I184-Y213 WeakPolarHBondContact CD1-OH 3.34Å; I184-Y213 HydrophobicContact CG2-CD1 4.43Å; I184-Y213 HydrophobicContact CG2-CE1 3.8Å; M188-Y213 HydrophobicContact CE-CD1 3.81Å; M188-Y213 HydrophobicContact CE-CE1 4.24Å; V205-Y213 HydrophobicContact CG1-CD1 4.37Å; V205-Y213 HydrophobicContact CG1-CG 4.37Å; Y210-Y213 HydrophobicContact CD1-CD2 4.36Å; Y210-Y213 HydrophobicContact CD1-CE2 4.25Å; Y210-Y213 WeakPolarHBondContact O-CD2 3.3Å; Y210-Y213 PolarHBondContact O-N 3.23Å; P211-Y213 VanDerWaalsContact C-N 3.25Å; P211-Y213 PolarHBondContact O-N 3.47Å; Y213-A215 PolarHBondContact O-N 2.81Å; Y213-T216 PolarHBondContact O-N 3.33Å; Y213-T217 WeakPolarHBondContact O-CG2 3.44Å; Y213-T217 PolarHBondContact O-N 2.63Å; Y213-T217 PolarHBondContact O-OG1 3.15Å; Y213-T217 VanDerWaalsContact O-OG1 3.06Å; Y213-C259 HydrophobicContact CD1-CB 3.75Å; Y213-C259 HydrophobicContact CE1-CB 3.5Å; Y213-C259 VanDerWaalsContact CE1-SG 3.55Å; Y213-I261 HydrophobicContact CD2-CD1 3.97Å; Y213-I261 HydrophobicContact CE2-CD1 3.59Å; Y213-I261 HydrophobicContact CE2-CG1 3.87Å; Y213-D293 VanDerWaalsContact OH-CB 3.25Å; Y213-D293 WeakPolarHBondContact OH-CB 3.17Å; Y213-D293 PolarHBondContact OH-OD2 2.77Å
214	S	93.9	Very high	95.8	Very high	10 Å²	10	21.4 Å²	21.4	7%	0.07	10%	0.102	C	C	.	.	H	α-helix	trans	-57.5	-47.5	176.6	63.1	0	0	0	0	112.5	Q209 P211 T216 T217 S218 R224	Q209-S214 PolarHBondContact NE2-OG 2.6Å; Q209-S214 VanDerWaalsContact OE1-CB 3.25Å; Q209-S214 VanDerWaalsContact OE1-N 3.14Å; Q209-S214 PolarHBondContact OE1-OG 3.19Å; P211-S214 PolarHBondContact O-OG 3.03Å; S214-T216 VanDerWaalsContact C-N 3.34Å; S214-T216 PolarHBondContact O-N 3.04Å; S214-T217 WeakPolarHBondContact CA-OG1 3.32Å; S214-T217 PolarHBondContact O-N 3.28Å; S214-T217 PolarHBondContact O-OG1 2.87Å; S214-S218 PolarHBondContact O-N 3.1Å; S214-S218 PolarHBondContact O-OG 2.7Å; S214-R224 VanDerWaalsContact CB-NH1 3.3Å
215	A	94.5	Very high	95.8	Very high	6 Å²	6	21.5 Å²	21.5	5%	0.05	10%	0.102	C	C	.	.	H	α-helix	trans	-62.8	-43.5	-178.2	0	0	0	0	0	111.4	M53 Y55 P211 Y213 S218 E219	M53-A215 HydrophobicContact CG-CB 3.85Å; M53-A215 HydrophobicContact SD-CB 4.18Å; Y55-A215 HydrophobicContact CD2-CB 4.02Å; P211-A215 WeakPolarHBondContact O-CB 3.43Å; P211-A215 PolarHBondContact O-N 3.38Å; Y213-A215 PolarHBondContact O-N 2.81Å; A215-S218 PolarHBondContact O-N 3.46Å; A215-E219 WeakPolarHBondContact O-CB 3.14Å; A215-E219 PolarHBondContact O-N 2.7Å
216	T	96.3	Very high	95.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.9	-41.5	179	-55.6	0	0	0	0	111.5	R185 M188 L212 Y213 S214 S218 E219 Y220	R185-T216 HydrophobicContact CB-CG2 4.37Å; R185-T216 HydrophobicContact CG-CG2 3.81Å; R185-T216 WeakPolarHBondContact CG-OG1 3.43Å; R185-T216 PolarHBondContact NH1-OG1 3.02Å; R185-T216 VanDerWaalsContact NH1-OG1 3.17Å; M188-T216 HydrophobicContact CG-CG2 4.47Å; M188-T216 HydrophobicContact SD-CG2 3.58Å; M188-T216 VanDerWaalsContact SD-CG2 3.58Å; L212-T216 VanDerWaalsContact O-CB 3.25Å; L212-T216 WeakPolarHBondContact O-CB 2.85Å; L212-T216 PolarHBondContact O-N 3.05Å; L212-T216 PolarHBondContact O-OG1 3.26Å; Y213-T216 PolarHBondContact O-N 3.33Å; S214-T216 VanDerWaalsContact C-N 3.34Å; S214-T216 PolarHBondContact O-N 3.04Å; T216-S218 PolarHBondContact O-N 3.09Å; T216-E219 PolarHBondContact O-N 3.24Å; T216-Y220 HydrophobicContact CG2-CD2 3.66Å; T216-Y220 HydrophobicContact CG2-CE2 3.44Å; T216-Y220 VanDerWaalsContact CG2-CE2 3.44Å; T216-Y220 HydrophobicContact CG2-CG 4.47Å; T216-Y220 WeakPolarHBondContact O-CB 3.44Å; T216-Y220 PolarHBondContact O-N 3.45Å
217	T	96.5	Very high	95.8	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.006	11%	0.111	C	C	.	.	H	α-helix	trans	-63.1	-42.2	176.7	52	0	0	0	0	111.9	M188 V203 Y213 S214 G221 I222	M188-T217 HydrophobicContact SD-CG2 3.99Å; V203-T217 HydrophobicContact CB-CG2 4.08Å; V203-T217 HydrophobicContact CG1-CG2 4.29Å; Y213-T217 WeakPolarHBondContact O-CG2 3.44Å; Y213-T217 PolarHBondContact O-N 2.63Å; Y213-T217 PolarHBondContact O-OG1 3.15Å; Y213-T217 VanDerWaalsContact O-OG1 3.06Å; S214-T217 WeakPolarHBondContact CA-OG1 3.32Å; S214-T217 PolarHBondContact O-N 3.28Å; S214-T217 PolarHBondContact O-OG1 2.87Å; T217-G221 PolarHBondContact O-N 2.82Å; T217-G221 VanDerWaalsContact O-N 3.1Å; T217-I222 HydrophobicContact CG2-CB 4.31Å; T217-I222 HydrophobicContact CG2-CG2 3.83Å; T217-I222 PolarHBondContact O-N 3.41Å
218	S	94.9	Very high	95.8	Very high	33 Å²	33	25.9 Å²	25.9	23%	0.231	13%	0.125	C	C	.	.	H	α-helix	trans	-63	-50	175.6	-65.5	0	0	0	0	111.7	R49 S214 A215 T216 Y220 G221	R49-S218 WeakPolarHBondContact CB-O 3.47Å; R49-S218 WeakPolarHBondContact CD-O 3.22Å; S214-S218 PolarHBondContact O-N 3.1Å; S214-S218 PolarHBondContact O-OG 2.7Å; A215-S218 PolarHBondContact O-N 3.46Å; T216-S218 PolarHBondContact O-N 3.09Å; S218-Y220 VanDerWaalsContact C-N 3.29Å; S218-Y220 PolarHBondContact O-N 3.5Å; S218-G221 PolarHBondContact O-N 3.25Å
219	E	95.1	Very high	95.8	Very high	51 Å²	51	26.3 Å²	26.3	24%	0.238	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-41.2	-179.4	-177.1	-175.4	166.5	0	0	112.5	R49 I50 M53 R185 A215 T216 G221	R49-E219 WeakPolarHBondContact CB-O 3.38Å; I50-E219 HydrophobicContact CD1-CG 4.17Å; M53-E219 HydrophobicContact SD-CB 4.14Å; R185-E219 IonicContact CZ-OE1 3.07Å; R185-E219 IonicContact CZ-OE2 3.42Å; R185-E219 IonicContact NH1-OE2 2.78Å; R185-E219 PolarHBondContact NH1-OE2 2.85Å; R185-E219 IonicContact NH2-OE1 2.68Å; R185-E219 PolarHBondContact NH2-OE1 3.42Å; R185-E219 IonicContact NH2-OE2 3.14Å; R185-E219 PolarHBondContact NH2-OE2 3.11Å; A215-E219 WeakPolarHBondContact O-CB 3.14Å; A215-E219 PolarHBondContact O-N 2.7Å; T216-E219 PolarHBondContact O-N 3.24Å; E219-G221 VanDerWaalsContact C-N 3.33Å
220	Y	95	Very high	96	Very high	48 Å²	48	28 Å²	28	19%	0.188	14%	0.136	C	C	.	.	H	α-helix	trans	-83.9	-5.6	-179.8	-64.7	-14.5	0	0	0	113.6	R185 K189 N192 T216 S218 I222	R185-Y220 WeakPolarHBondContact O-CE2 3.43Å; K189-Y220 HydrophobicContact CB-CD2 4.23Å; K189-Y220 HydrophobicContact CB-CE2 3.68Å; N192-Y220 VanDerWaalsContact CG-O 3.27Å; N192-Y220 PolarHBondContact ND2-O 2.57Å; N192-Y220 PolarHBondContact OD1-O 3.11Å; N192-Y220 VanDerWaalsContact OD1-O 3.14Å; T216-Y220 HydrophobicContact CG2-CD2 3.66Å; T216-Y220 HydrophobicContact CG2-CE2 3.44Å; T216-Y220 VanDerWaalsContact CG2-CE2 3.44Å; T216-Y220 HydrophobicContact CG2-CG 4.47Å; T216-Y220 WeakPolarHBondContact O-CB 3.44Å; T216-Y220 PolarHBondContact O-N 3.45Å; S218-Y220 VanDerWaalsContact C-N 3.29Å; S218-Y220 PolarHBondContact O-N 3.5Å; Y220-I222 HydrophobicContact CD2-CD1 4.19Å; Y220-I222 PolarHBondContact O-N 2.82Å
221	G	93.6	Very high	96.1	Very high	16 Å²	16	26.9 Å²	26.9	17%	0.165	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	26.8	-175.3	0	0	0	0	0	113.3	T217 S218 E219	T217-G221 PolarHBondContact O-N 2.82Å; T217-G221 VanDerWaalsContact O-N 3.1Å; S218-G221 PolarHBondContact O-N 3.25Å; E219-G221 VanDerWaalsContact C-N 3.33Å
222	I	96.1	Very high	96.3	Very high	10 Å²	10	32.6 Å²	32.6	5%	0.051	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-84.3	137.5	176.6	-70.8	179.1	0	0	0	109	M188 N192 V201 V203 T217 Y220 R224	M188-I222 HydrophobicContact CG-CD1 3.9Å; M188-I222 HydrophobicContact SD-CD1 4.39Å; N192-I222 HydrophobicContact CB-CD1 4.37Å; N192-I222 HydrophobicContact CB-CG1 4.45Å; V201-I222 HydrophobicContact CG1-CB 4.22Å; V201-I222 HydrophobicContact CG1-CD1 4.13Å; V201-I222 HydrophobicContact CG1-CG1 3.65Å; V201-I222 HydrophobicContact CG1-CG2 4Å; V203-I222 HydrophobicContact CB-CG2 3.87Å; V203-I222 HydrophobicContact CG2-CD1 4.5Å; V203-I222 HydrophobicContact CG2-CG2 3.31Å; T217-I222 HydrophobicContact CG2-CB 4.31Å; T217-I222 HydrophobicContact CG2-CG2 3.83Å; T217-I222 PolarHBondContact O-N 3.41Å; Y220-I222 HydrophobicContact CD2-CD1 4.19Å; Y220-I222 PolarHBondContact O-N 2.82Å; I222-R224 PolarHBondContact O-N 2.7Å
223	Y	96.9	Very high	96.3	Very high	72 Å²	72	38.6 Å²	38.6	28%	0.282	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	122.1	176.1	-169.3	-83.5	0	0	0	110.3	V201 G202 V203 I225 A249 K252 C253	V201-Y223 WeakPolarHBondContact O-CB 3.18Å; V201-Y223 PolarHBondContact O-N 2.83Å; G202-Y223 CarbonylContact C-O 3.39Å; G202-Y223 VanDerWaalsContact CA-O 3.3Å; G202-Y223 WeakPolarHBondContact CA-O 3.15Å; V203-Y223 PolarHBondContact N-O 3.19Å; Y223-I225 HydrophobicContact CD1-CG1 3.88Å; Y223-I225 HydrophobicContact CE1-CG1 4.18Å; Y223-A249 HydrophobicContact CE1-CB 4.06Å; Y223-K252 HydrophobicContact CD2-CB 4.43Å; Y223-K252 HydrophobicContact CE2-CB 3.86Å; Y223-K252 HydrophobicContact CE2-CD 4.19Å; Y223-K252 WeakPolarHBondContact OH-CD 2.99Å; Y223-C253 HydrophobicContact CD1-CB 3.82Å; Y223-C253 VanDerWaalsContact CD1-SG 3.51Å; Y223-C253 HydrophobicContact CD2-CB 4.33Å; Y223-C253 HydrophobicContact CG-CB 3.62Å
224	R	97.1	Very high	96.2	Very high	113 Å²	113	42 Å²	42	43%	0.426	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	117.9	178.4	-173.5	-174.5	69.8	177.5	-3.5	110.6	V205 S214 I222	V205-R224 HydrophobicContact CG2-CG 3.41Å; V205-R224 VanDerWaalsContact CG2-CG 3.41Å; S214-R224 VanDerWaalsContact CB-NH1 3.3Å; I222-R224 PolarHBondContact O-N 2.7Å
225	I	98.4	Very high	96.4	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	99.1	174.9	-50.1	174.9	0	0	0	108	V203 M204 V205 Y223 A245 L246 A249 P255	V203-I225 PolarHBondContact O-N 2.85Å; M204-I225 CarbonylContact C-O 3.59Å; M204-I225 VanDerWaalsContact CA-O 3.26Å; M204-I225 WeakPolarHBondContact CA-O 3.43Å; M204-I225 HydrophobicContact CB-CB 4.42Å; M204-I225 HydrophobicContact CE-CG2 4.4Å; M204-I225 HydrophobicContact CG-CB 3.95Å; M204-I225 HydrophobicContact CG-CD1 4Å; M204-I225 HydrophobicContact CG-CG2 4.09Å; V205-I225 PolarHBondContact N-O 2.9Å; Y223-I225 HydrophobicContact CD1-CG1 3.88Å; Y223-I225 HydrophobicContact CE1-CG1 4.18Å; I225-A245 HydrophobicContact CG2-CB 4.04Å; I225-A245 WeakPolarHBondContact CG2-O 3.29Å; I225-L246 HydrophobicContact CD1-CD1 4.38Å; I225-A249 HydrophobicContact CB-CB 4.33Å; I225-A249 HydrophobicContact CD1-CB 3.82Å; I225-A249 HydrophobicContact CG1-CB 3.69Å; I225-A249 HydrophobicContact CG2-CB 3.84Å; I225-P255 HydrophobicContact CD1-CB 3.91Å; I225-P255 HydrophobicContact CD1-CG 3.82Å
226	G	97.8	Very high	96.4	Very high	26 Å²	26	43.2 Å²	43.2	27%	0.268	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	130	178	0	0	0	0	0	111.7	V205 A245	V205-G226 WeakPolarHBondContact O-CA 3.11Å; G226-A245 WeakPolarHBondContact O-CB 3.47Å
227	Y	98.2	Very high	96.4	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	135.3	171	63.1	-94.2	0	0	0	110.3	M204 V205 S206 I207 L229 L237 L242 L258 C259	M204-Y227 HydrophobicContact CB-CD1 4.08Å; M204-Y227 HydrophobicContact CB-CE1 4.03Å; M204-Y227 HydrophobicContact CE-CD1 4.39Å; V205-Y227 VanDerWaalsContact C-CD1 3.48Å; V205-Y227 VanDerWaalsContact O-CD1 3.23Å; V205-Y227 WeakPolarHBondContact O-CD1 3.39Å; V205-Y227 WeakPolarHBondContact O-CE1 3.35Å; V205-Y227 PolarHBondContact O-N 3.25Å; V205-Y227 VanDerWaalsContact O-N 3.13Å; S206-Y227 CarbonylContact C-O 3.56Å; S206-Y227 VanDerWaalsContact CA-CZ 3.49Å; S206-Y227 WeakPolarHBondContact CA-O 3.2Å; S206-Y227 VanDerWaalsContact N-CE1 3.31Å; I207-Y227 PolarHBondContact N-O 2.65Å; Y227-L229 HydrophobicContact CE2-CD2 4.15Å; Y227-L237 HydrophobicContact CE2-CD1 4.06Å; Y227-L237 HydrophobicContact CE2-CG 4.08Å; Y227-L242 HydrophobicContact CD1-CD2 3.47Å; Y227-L242 VanDerWaalsContact CD1-CD2 3.47Å; Y227-L242 HydrophobicContact CD2-CD2 3.6Å; Y227-L242 HydrophobicContact CD2-CG 4.4Å; Y227-L242 HydrophobicContact CE1-CD2 3.68Å; Y227-L242 HydrophobicContact CE2-CD2 3.83Å; Y227-L242 HydrophobicContact CG-CD2 3.42Å; Y227-L242 VanDerWaalsContact CG-CD2 3.42Å; Y227-L242 HydrophobicContact CG-CG 4.49Å; Y227-L258 HydrophobicContact CE1-CD1 3.69Å; Y227-C259 PolarHBondContact OH-O 3.43Å
228	Y	98.2	Very high	96.4	Very high	89 Å²	89	45.8 Å²	45.8	35%	0.349	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	136.6	-177.5	-63.3	-76.2	0	0	0	112.5	I207 E241 K499	I207-Y228 HydrophobicContact CB-CD1 3.83Å; I207-Y228 HydrophobicContact CB-CE1 4.1Å; I207-Y228 HydrophobicContact CG2-CD1 3.7Å; I207-Y228 HydrophobicContact CG2-CE1 3.64Å; I207-Y228 WeakPolarHBondContact O-CA 3.42Å; Y228-E241 VanDerWaalsContact CD2-OE1 3.31Å; Y228-E241 WeakPolarHBondContact CD2-OE1 3.17Å; Y228-E241 VanDerWaalsContact N-CG 3.3Å; Y228-E241 PolarHBondContact N-OE1 2.86Å; Y228-E241 VanDerWaalsContact O-CG 3.22Å; Y228-E241 WeakPolarHBondContact O-CG 3.49Å; Y228-K499 HydrophobicContact CD1-CB 4.32Å; Y228-K499 HydrophobicContact CE1-CB 4.25Å
229	L	97.9	Very high	96.6	Very high	12 Å²	12	45.6 Å²	45.6	6%	0.063	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	148.5	163.8	-64.4	179.1	0	0	0	109.7	I207 Y227 E231 W235 L237	I207-L229 PolarHBondContact O-N 2.99Å; Y227-L229 HydrophobicContact CE2-CD2 4.15Å; L229-E231 PolarHBondContact O-N 2.7Å; L229-W235 HydrophobicContact CB-CB 4.31Å; L229-W235 HydrophobicContact CB-CE3 3.89Å; L229-W235 HydrophobicContact CD1-CB 4.46Å; L229-L237 HydrophobicContact CD2-CB 4.17Å; L229-L237 HydrophobicContact CD2-CG 4.45Å
230	N	97.3	Very high	96.7	Very high	40 Å²	40	46.4 Å²	46.4	21%	0.214	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	92.2	-175.8	-168	-35	0	0	0	111.1	E232 K233 W235 A236	N230-E232 VanDerWaalsContact C-N 3.26Å; N230-E232 PolarHBondContact O-N 2.72Å; N230-E232 PolarHBondContact OD1-N 2.78Å; N230-K233 HydrophobicContact CB-CB 4.2Å; N230-K233 CarbonylContact O-C 3.48Å; N230-K233 PolarHBondContact O-N 3.45Å; N230-K233 PolarHBondContact OD1-N 3.02Å; N230-W235 WeakPolarHBondContact O-CA 3.34Å; N230-W235 PolarHBondContact O-N 2.78Å; N230-A236 PolarHBondContact N-O 3.13Å
231	E	97.5	Very high	96.9	Very high	19 Å²	19	45.5 Å²	45.5	9%	0.089	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-50.6	-42.6	179	-178.1	170.2	-160.9	0	0	113	L229 K233 N234 W235 N442 R453 H504	L229-E231 PolarHBondContact O-N 2.7Å; E231-K233 PolarHBondContact O-N 3.24Å; E231-N234 PolarHBondContact O-N 2.85Å; E231-W235 HydrophobicContact CB-CD2 4.1Å; E231-W235 HydrophobicContact CB-CE3 3.88Å; E231-W235 HydrophobicContact CB-CH2 3.66Å; E231-W235 HydrophobicContact CB-CZ2 3.84Å; E231-W235 HydrophobicContact CB-CZ3 3.67Å; E231-W235 HydrophobicContact CG-CD2 4.34Å; E231-W235 HydrophobicContact CG-CH2 3.68Å; E231-W235 HydrophobicContact CG-CZ2 3.43Å; E231-W235 VanDerWaalsContact CG-CZ2 3.43Å; E231-W235 HydrophobicContact CG-CZ3 4.21Å; E231-N442 PolarHBondContact O-ND2 2.91Å; E231-R453 WeakPolarHBondContact OE1-CB 3.29Å; E231-R453 IonicContact OE2-NH1 3.45Å; E231-H504 VanDerWaalsContact CD-NE2 3.34Å; E231-H504 IonicContact OE1-CD2 3.59Å; E231-H504 IonicContact OE1-CE1 2.6Å; E231-H504 IonicContact OE1-NE2 3.91Å; E231-H504 PolarHBondContact OE1-NE2 3.4Å; E231-H504 IonicContact OE2-CE1 3.26Å; E231-H504 IonicContact OE2-NE2 3.98Å; E231-H504 PolarHBondContact OE2-NE2 3Å
232	E	96	Very high	97.1	Very high	120 Å²	120	44.8 Å²	44.8	56%	0.561	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-69.9	-18.9	-178.3	-59.6	-56.2	152.9	0	0	113.1	N230 K440	N230-E232 VanDerWaalsContact C-N 3.26Å; N230-E232 PolarHBondContact O-N 2.72Å; N230-E232 PolarHBondContact OD1-N 2.78Å; E232-K440 IonicContact OE1-NZ 3.18Å; E232-K440 PolarHBondContact OE1-NZ 3.16Å; E232-K440 IonicContact OE2-NZ 2.68Å; E232-K440 PolarHBondContact OE2-NZ 3.48Å
233	K	95.1	Very high	97.2	Very high	137 Å²	137	48.6 Å²	48.6	60%	0.596	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-108.5	43	174	-62.4	-176.4	-179	175.5	0	111.6	N230 E231 W235 A236	N230-K233 HydrophobicContact CB-CB 4.2Å; N230-K233 CarbonylContact O-C 3.48Å; N230-K233 PolarHBondContact O-N 3.45Å; N230-K233 PolarHBondContact OD1-N 3.02Å; E231-K233 PolarHBondContact O-N 3.24Å; K233-W235 VanDerWaalsContact C-N 3.28Å; K233-W235 PolarHBondContact O-N 3.49Å; K233-A236 HydrophobicContact CB-CB 4.14Å; K233-A236 WeakPolarHBondContact O-CB 3.2Å; K233-A236 PolarHBondContact O-N 3.37Å; K233-A236 VanDerWaalsContact O-N 3.09Å
234	N	94.8	Very high	97.3	Very high	74 Å²	74	49.8 Å²	49.8	40%	0.396	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	40.5	179.6	-65.4	-42.3	0	0	0	113.9	E231 A236 Q269 N442	E231-N234 PolarHBondContact O-N 2.85Å; N234-A236 PolarHBondContact O-N 2.9Å; N234-Q269 VanDerWaalsContact O-CB 3.3Å; N234-Q269 WeakPolarHBondContact O-CB 3.45Å; N234-N442 WeakPolarHBondContact CA-ND2 3.18Å; N234-N442 PolarHBondContact OD1-ND2 3.45Å
235	W	96.7	Very high	97.4	Very high	13 Å²	13	44.5 Å²	44.5	5%	0.049	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	27.7	-178.6	-55.5	102.7	0	0	0	113.7	P208 L229 N230 E231 K233 T267 Q269 N442 F451 H504	P208-W235 HydrophobicContact CG-CE3 4.41Å; P208-W235 HydrophobicContact CG-CZ3 4.17Å; L229-W235 HydrophobicContact CB-CB 4.31Å; L229-W235 HydrophobicContact CB-CE3 3.89Å; L229-W235 HydrophobicContact CD1-CB 4.46Å; N230-W235 WeakPolarHBondContact O-CA 3.34Å; N230-W235 PolarHBondContact O-N 2.78Å; E231-W235 HydrophobicContact CB-CD2 4.1Å; E231-W235 HydrophobicContact CB-CE3 3.88Å; E231-W235 HydrophobicContact CB-CH2 3.66Å; E231-W235 HydrophobicContact CB-CZ2 3.84Å; E231-W235 HydrophobicContact CB-CZ3 3.67Å; E231-W235 HydrophobicContact CG-CD2 4.34Å; E231-W235 HydrophobicContact CG-CH2 3.68Å; E231-W235 HydrophobicContact CG-CZ2 3.43Å; E231-W235 VanDerWaalsContact CG-CZ2 3.43Å; E231-W235 HydrophobicContact CG-CZ3 4.21Å; K233-W235 VanDerWaalsContact C-N 3.28Å; K233-W235 PolarHBondContact O-N 3.49Å; W235-T267 HydrophobicContact CB-CG2 4.08Å; W235-T267 HydrophobicContact CD2-CG2 3.37Å; W235-T267 HydrophobicContact CE3-CG2 3.84Å; W235-T267 HydrophobicContact CG-CG2 3.5Å; W235-T267 VanDerWaalsContact CG-CG2 3.5Å; W235-T267 HydrophobicContact CZ2-CG2 4.2Å; W235-T267 HydrophobicContact CZ3-CG2 4.4Å; W235-Q269 HydrophobicContact CB-CB 4.15Å; W235-Q269 HydrophobicContact CB-CG 4.32Å; W235-N442 PolarHBondContact NE1-OD1 3.31Å; W235-F451 HydrophobicContact CH2-CD1 4.06Å; W235-F451 HydrophobicContact CH2-CE1 4.37Å; W235-F451 AromaticContact CZ2-CD1 3.88Å; W235-F451 HydrophobicContact CZ2-CD1 3.88Å; W235-H504 AromaticContact CH2-NE2 3.63Å; W235-H504 AromaticContact CZ2-NE2 3.76Å
236	A	94.7	Very high	97.4	Very high	30 Å²	30	44.4 Å²	44.4	25%	0.248	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	152.2	173.4	0	0	0	0	0	111.7	N230 K233 N234	N230-A236 PolarHBondContact N-O 3.13Å; K233-A236 HydrophobicContact CB-CB 4.14Å; K233-A236 WeakPolarHBondContact O-CB 3.2Å; K233-A236 PolarHBondContact O-N 3.37Å; K233-A236 VanDerWaalsContact O-N 3.09Å; N234-A236 PolarHBondContact O-N 2.9Å
237	L	96.8	Very high	97.4	Very high	5 Å²	5	47.9 Å²	47.9	3%	0.026	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	123.3	176.6	-172.3	162.2	0	0	0	109.2	Y227 L229 I239 L242 V260 L271 N275 V279	Y227-L237 HydrophobicContact CE2-CD1 4.06Å; Y227-L237 HydrophobicContact CE2-CG 4.08Å; L229-L237 HydrophobicContact CD2-CB 4.17Å; L229-L237 HydrophobicContact CD2-CG 4.45Å; L237-I239 HydrophobicContact CD2-CD1 3.93Å; L237-L242 HydrophobicContact CD2-CD1 3.55Å; L237-L242 HydrophobicContact CD2-CG 3.95Å; L237-V260 HydrophobicContact CD1-CG1 4.19Å; L237-V260 HydrophobicContact CD1-CG2 4.3Å; L237-L271 HydrophobicContact CB-CD2 4.13Å; L237-N275 PolarHBondContact N-OD1 3.15Å; L237-N275 PolarHBondContact O-ND2 2.97Å; L237-N275 PolarHBondContact O-OD1 2.66Å; L237-V279 HydrophobicContact CD1-CG2 3.72Å; L237-V279 HydrophobicContact CD2-CG2 3.46Å; L237-V279 VanDerWaalsContact CD2-CG2 3.46Å; L237-V279 HydrophobicContact CG-CG2 4.13Å
238	D	96.9	Very high	97.4	Very high	49 Å²	49	52.6 Å²	52.6	26%	0.262	26%	0.258	S	S	.	.			trans	-104.2	121.1	-175.5	-168.1	-32.6	0	0	0	111.2	A240 E241 L242	D238-A240 VanDerWaalsContact C-N 3.33Å; D238-A240 PolarHBondContact O-N 3Å; D238-A240 WeakPolarHBondContact OD1-CB 3.35Å; D238-A240 PolarHBondContact OD1-N 3.33Å; D238-E241 HydrophobicContact CB-CB 4Å; D238-E241 PolarHBondContact O-N 2.74Å; D238-L242 PolarHBondContact O-N 2.73Å
239	I	98.3	Very high	97.4	Very high	29 Å²	29	48.5 Å²	48.5	15%	0.149	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-32.8	-178.6	-55	-54.2	0	0	0	112.1	L237 E241 L242 K243 E278 V279 F282	L237-I239 HydrophobicContact CD2-CD1 3.93Å; I239-E241 VanDerWaalsContact C-N 3.26Å; I239-E241 PolarHBondContact O-N 2.94Å; I239-L242 HydrophobicContact CD1-CD1 4.04Å; I239-L242 PolarHBondContact O-N 2.96Å; I239-K243 HydrophobicContact CG2-CD 4.41Å; I239-K243 WeakPolarHBondContact O-CG 3.37Å; I239-K243 PolarHBondContact O-N 3.06Å; I239-E278 HydrophobicContact CD1-CB 3.81Å; I239-E278 HydrophobicContact CG1-CB 3.75Å; I239-V279 HydrophobicContact CD1-CG2 4.09Å; I239-F282 HydrophobicContact CD1-CB 4.46Å; I239-F282 HydrophobicContact CG2-CB 4.34Å; I239-F282 HydrophobicContact CG2-CD2 4.24Å
240	A	98.3	Very high	97.4	Very high	68 Å²	68	51.6 Å²	51.6	56%	0.562	25%	0.253	S	S	*	.	H	α-helix	trans	-65.6	-37.1	176.9	0	0	0	0	0	110.6	D238 K243 R244	D238-A240 VanDerWaalsContact C-N 3.33Å; D238-A240 PolarHBondContact O-N 3Å; D238-A240 WeakPolarHBondContact OD1-CB 3.35Å; D238-A240 PolarHBondContact OD1-N 3.33Å; A240-K243 PolarHBondContact O-N 3.44Å; A240-R244 WeakPolarHBondContact O-CB 3.24Å; A240-R244 PolarHBondContact O-N 2.87Å
241	E	98.4	Very high	97.3	Very high	30 Å²	30	54.1 Å²	54.1	14%	0.14	27%	0.272	C	S	.	.	H	α-helix	trans	-70.8	-38	175.4	177.7	49.5	-154.2	0	0	112.3	Y228 D238 I239 R244 A245	Y228-E241 VanDerWaalsContact CD2-OE1 3.31Å; Y228-E241 WeakPolarHBondContact CD2-OE1 3.17Å; Y228-E241 VanDerWaalsContact N-CG 3.3Å; Y228-E241 PolarHBondContact N-OE1 2.86Å; Y228-E241 VanDerWaalsContact O-CG 3.22Å; Y228-E241 WeakPolarHBondContact O-CG 3.49Å; D238-E241 HydrophobicContact CB-CB 4Å; D238-E241 PolarHBondContact O-N 2.74Å; I239-E241 VanDerWaalsContact C-N 3.26Å; I239-E241 PolarHBondContact O-N 2.94Å; E241-R244 VanDerWaalsContact CD-NE 3.35Å; E241-R244 PolarHBondContact O-N 2.93Å; E241-R244 IonicContact OE1-CZ 2.79Å; E241-R244 IonicContact OE1-NE 3.56Å; E241-R244 PolarHBondContact OE1-NE 2.79Å; E241-R244 IonicContact OE1-NH2 3.84Å; E241-R244 PolarHBondContact OE1-NH2 3.44Å; E241-R244 WeakPolarHBondContact OE2-CD 3.09Å; E241-R244 IonicContact OE2-CZ 3.16Å; E241-R244 IonicContact OE2-NE 3.25Å; E241-R244 PolarHBondContact OE2-NE 3.41Å; E241-R244 IonicContact OE2-NH2 3.84Å; E241-A245 WeakPolarHBondContact O-CB 3.17Å; E241-A245 PolarHBondContact O-N 2.95Å
242	L	98.6	Very high	97.2	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-57.8	-48.6	169.9	-78.1	-176.6	0	0	0	111.7	M204 Y227 L237 D238 I239 A245 L246 L258 F282	M204-L242 HydrophobicContact CE-CB 4.22Å; M204-L242 HydrophobicContact CE-CD2 3.55Å; M204-L242 HydrophobicContact CE-CG 4.49Å; M204-L242 WeakPolarHBondContact CE-O 3.48Å; Y227-L242 HydrophobicContact CD1-CD2 3.47Å; Y227-L242 VanDerWaalsContact CD1-CD2 3.47Å; Y227-L242 HydrophobicContact CD2-CD2 3.6Å; Y227-L242 HydrophobicContact CD2-CG 4.4Å; Y227-L242 HydrophobicContact CE1-CD2 3.68Å; Y227-L242 HydrophobicContact CE2-CD2 3.83Å; Y227-L242 HydrophobicContact CG-CD2 3.42Å; Y227-L242 VanDerWaalsContact CG-CD2 3.42Å; Y227-L242 HydrophobicContact CG-CG 4.49Å; L237-L242 HydrophobicContact CD2-CD1 3.55Å; L237-L242 HydrophobicContact CD2-CG 3.95Å; D238-L242 PolarHBondContact O-N 2.73Å; I239-L242 HydrophobicContact CD1-CD1 4.04Å; I239-L242 PolarHBondContact O-N 2.96Å; L242-A245 PolarHBondContact O-N 3Å; L242-L246 VanDerWaalsContact O-CB 3.28Å; L242-L246 WeakPolarHBondContact O-CB 3.36Å; L242-L246 PolarHBondContact O-N 2.62Å; L242-L258 HydrophobicContact CD1-CD2 4.29Å; L242-L258 HydrophobicContact CD2-CD1 3.98Å; L242-F282 HydrophobicContact CB-CD1 4.32Å; L242-F282 HydrophobicContact CB-CD2 4.33Å; L242-F282 HydrophobicContact CB-CE1 3.91Å; L242-F282 HydrophobicContact CB-CE2 3.92Å; L242-F282 HydrophobicContact CB-CZ 3.68Å; L242-F282 HydrophobicContact CD1-CD1 3.64Å; L242-F282 HydrophobicContact CD1-CE1 3.85Å; L242-F282 HydrophobicContact CD1-CG 4.06Å; L242-F282 HydrophobicContact CD1-CZ 4.45Å; L242-F282 HydrophobicContact CD2-CE1 4.47Å; L242-F282 HydrophobicContact CG-CE1 4.34Å
243	K	98.6	Very high	97.3	Very high	91 Å²	91	52.2 Å²	52.2	40%	0.396	26%	0.261	S	S	.	.	H	α-helix	trans	-59.4	-47.9	177.2	-74.3	179.2	177.9	-170.5	0	111.3	I239 A240 A245 L246 E247 F282 E285	I239-K243 HydrophobicContact CG2-CD 4.41Å; I239-K243 WeakPolarHBondContact O-CG 3.37Å; I239-K243 PolarHBondContact O-N 3.06Å; A240-K243 PolarHBondContact O-N 3.44Å; K243-A245 PolarHBondContact O-N 2.86Å; K243-L246 PolarHBondContact O-N 3.1Å; K243-E247 WeakPolarHBondContact O-CG 3.4Å; K243-E247 PolarHBondContact O-N 2.94Å; K243-F282 HydrophobicContact CB-CE2 4.44Å; K243-F282 HydrophobicContact CG-CD2 3.91Å; K243-F282 HydrophobicContact CG-CE2 3.59Å; K243-E285 IonicContact NZ-OE2 3.81Å
244	R	98.5	Very high	97.4	Very high	96 Å²	96	50.4 Å²	50.4	36%	0.362	25%	0.251	S	S	.	.	H	α-helix	trans	-56.4	-52.4	177.2	-174	-150	65	72.2	2.3	111.8	A240 E241 L246 E247 E248	A240-R244 WeakPolarHBondContact O-CB 3.24Å; A240-R244 PolarHBondContact O-N 2.87Å; E241-R244 VanDerWaalsContact CD-NE 3.35Å; E241-R244 PolarHBondContact O-N 2.93Å; E241-R244 IonicContact OE1-CZ 2.79Å; E241-R244 IonicContact OE1-NE 3.56Å; E241-R244 PolarHBondContact OE1-NE 2.79Å; E241-R244 IonicContact OE1-NH2 3.84Å; E241-R244 PolarHBondContact OE1-NH2 3.44Å; E241-R244 WeakPolarHBondContact OE2-CD 3.09Å; E241-R244 IonicContact OE2-CZ 3.16Å; E241-R244 IonicContact OE2-NE 3.25Å; E241-R244 PolarHBondContact OE2-NE 3.41Å; E241-R244 IonicContact OE2-NH2 3.84Å; R244-L246 VanDerWaalsContact C-N 3.31Å; R244-L246 PolarHBondContact O-N 2.9Å; R244-E247 PolarHBondContact O-N 2.92Å; R244-E248 IonicContact CZ-OE2 2.76Å; R244-E248 IonicContact NH1-OE2 2.71Å; R244-E248 PolarHBondContact NH1-OE2 3.1Å; R244-E248 WeakPolarHBondContact O-CB 3.4Å; R244-E248 PolarHBondContact O-N 2.86Å; R244-E248 VanDerWaalsContact O-N 3.08Å
245	A	98.6	Very high	97.5	Very high	3 Å²	3	47.9 Å²	47.9	3%	0.025	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-39.5	-178	0	0	0	0	0	111.9	I225 G226 E241 L242 K243 A249	I225-A245 HydrophobicContact CG2-CB 4.04Å; I225-A245 WeakPolarHBondContact CG2-O 3.29Å; G226-A245 WeakPolarHBondContact O-CB 3.47Å; E241-A245 WeakPolarHBondContact O-CB 3.17Å; E241-A245 PolarHBondContact O-N 2.95Å; L242-A245 PolarHBondContact O-N 3Å; K243-A245 PolarHBondContact O-N 2.86Å; A245-A249 WeakPolarHBondContact O-CB 3.49Å; A245-A249 PolarHBondContact O-N 3.35Å
246	L	98.5	Very high	97.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-63.3	-51.9	177.5	-168.9	73.2	0	0	0	111.3	M204 I225 L242 K243 R244 E248 A249 R250 P255 F282 E286	M204-L246 HydrophobicContact CE-CB 4.06Å; M204-L246 HydrophobicContact CE-CD1 4.21Å; M204-L246 HydrophobicContact CG-CD1 4.42Å; M204-L246 HydrophobicContact SD-CD1 3.73Å; I225-L246 HydrophobicContact CD1-CD1 4.38Å; L242-L246 VanDerWaalsContact O-CB 3.28Å; L242-L246 WeakPolarHBondContact O-CB 3.36Å; L242-L246 PolarHBondContact O-N 2.62Å; K243-L246 PolarHBondContact O-N 3.1Å; R244-L246 VanDerWaalsContact C-N 3.31Å; R244-L246 PolarHBondContact O-N 2.9Å; L246-E248 PolarHBondContact O-N 2.98Å; L246-A249 PolarHBondContact O-N 3.04Å; L246-R250 VanDerWaalsContact O-CG 3.28Å; L246-R250 WeakPolarHBondContact O-CG 3.17Å; L246-R250 PolarHBondContact O-N 2.82Å; L246-P255 HydrophobicContact CD1-CB 3.3Å; L246-P255 HydrophobicContact CD1-CG 3.35Å; L246-P255 HydrophobicContact CG-CG 4.21Å; L246-F282 HydrophobicContact CB-CZ 4.34Å; L246-F282 HydrophobicContact CD2-CE2 4.27Å; L246-F282 HydrophobicContact CD2-CZ 3.81Å; L246-E286 HydrophobicContact CD2-CB 3.97Å; L246-E286 HydrophobicContact CD2-CG 3.48Å; L246-E286 VanDerWaalsContact CD2-CG 3.48Å; L246-E286 VanDerWaalsContact CD2-OE2 3.25Å; L246-E286 WeakPolarHBondContact CD2-OE2 3.41Å
247	E	98.4	Very high	97.7	Very high	100 Å²	100	46.2 Å²	46.2	47%	0.467	23%	0.228	S	C	.	.	H	α-helix	trans	-60.5	-42.1	-179.2	-70.7	-50	142.1	0	0	112.7	K243 R244 A249 R250 P251	K243-E247 WeakPolarHBondContact O-CG 3.4Å; K243-E247 PolarHBondContact O-N 2.94Å; R244-E247 PolarHBondContact O-N 2.92Å; E247-A249 PolarHBondContact O-N 2.72Å; E247-R250 VanDerWaalsContact CD-NE 3.26Å; E247-R250 PolarHBondContact O-N 2.83Å; E247-R250 IonicContact OE1-CZ 2.63Å; E247-R250 VanDerWaalsContact OE1-CZ 3.25Å; E247-R250 IonicContact OE1-NE 3.29Å; E247-R250 PolarHBondContact OE1-NE 2.93Å; E247-R250 IonicContact OE1-NH2 2.7Å; E247-R250 PolarHBondContact OE1-NH2 3.03Å; E247-R250 WeakPolarHBondContact OE2-CD 3.4Å; E247-R250 IonicContact OE2-NE 3.28Å; E247-R250 PolarHBondContact OE2-NE 3.02Å; E247-R250 VanDerWaalsContact OE2-NE 3.09Å; E247-P251 WeakPolarHBondContact O-CD 3.18Å
248	E	98.4	Very high	97.8	Very high	100 Å²	100	46 Å²	46	47%	0.467	23%	0.227	S	C	.	.	H	α-helix	trans	-62	-29.1	176.1	-161.9	-151.1	131.3	0	0	112.6	R244 L246 K252	R244-E248 IonicContact CZ-OE2 2.76Å; R244-E248 IonicContact NH1-OE2 2.71Å; R244-E248 PolarHBondContact NH1-OE2 3.1Å; R244-E248 WeakPolarHBondContact O-CB 3.4Å; R244-E248 PolarHBondContact O-N 2.86Å; R244-E248 VanDerWaalsContact O-N 3.08Å; L246-E248 PolarHBondContact O-N 2.98Å; E248-K252 IonicContact OE1-NZ 3.89Å; E248-K252 PolarHBondContact OE1-NZ 3.17Å; E248-K252 VanDerWaalsContact OE1-NZ 3.16Å
249	A	98	Very high	97.9	Very high	2 Å²	2	43.8 Å²	43.8	2%	0.017	22%	0.215	C	C	.	.	H	α-helix	trans	-90.9	-23.4	-176.3	0	0	0	0	0	114.2	Y223 I225 A245 L246 E247 P251 K252 C253	Y223-A249 HydrophobicContact CE1-CB 4.06Å; I225-A249 HydrophobicContact CB-CB 4.33Å; I225-A249 HydrophobicContact CD1-CB 3.82Å; I225-A249 HydrophobicContact CG1-CB 3.69Å; I225-A249 HydrophobicContact CG2-CB 3.84Å; A245-A249 WeakPolarHBondContact O-CB 3.49Å; A245-A249 PolarHBondContact O-N 3.35Å; L246-A249 PolarHBondContact O-N 3.04Å; E247-A249 PolarHBondContact O-N 2.72Å; A249-P251 VanDerWaalsContact C-CD 3.42Å; A249-P251 VanDerWaalsContact C-N 3.32Å; A249-K252 WeakPolarHBondContact O-CA 3.31Å; A249-K252 PolarHBondContact O-N 2.78Å; A249-C253 PolarHBondContact O-N 3.35Å; A249-C253 PolarHBondContact O-SG 3Å; A249-C253 VanDerWaalsContact O-SG 3.33Å
250	R	96.5	Very high	97.9	Very high	78 Å²	78	42.5 Å²	42.5	29%	0.294	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-35.5	-178.5	-60.8	-165.6	-162.8	-91.7	6.5	114.7	K199 L246 E247 K252 P255 E286	K199-R250 PolarHBondContact NZ-O 3.29Å; L246-R250 VanDerWaalsContact O-CG 3.28Å; L246-R250 WeakPolarHBondContact O-CG 3.17Å; L246-R250 PolarHBondContact O-N 2.82Å; E247-R250 VanDerWaalsContact CD-NE 3.26Å; E247-R250 PolarHBondContact O-N 2.83Å; E247-R250 IonicContact OE1-CZ 2.63Å; E247-R250 VanDerWaalsContact OE1-CZ 3.25Å; E247-R250 IonicContact OE1-NE 3.29Å; E247-R250 PolarHBondContact OE1-NE 2.93Å; E247-R250 IonicContact OE1-NH2 2.7Å; E247-R250 PolarHBondContact OE1-NH2 3.03Å; E247-R250 WeakPolarHBondContact OE2-CD 3.4Å; E247-R250 IonicContact OE2-NE 3.28Å; E247-R250 PolarHBondContact OE2-NE 3.02Å; E247-R250 VanDerWaalsContact OE2-NE 3.09Å; R250-K252 PolarHBondContact O-N 2.89Å; R250-P255 HydrophobicContact CG-CG 4.43Å; R250-E286 IonicContact CZ-OE2 3.32Å; R250-E286 VanDerWaalsContact CZ-OE2 3.3Å; R250-E286 IonicContact NH1-OE2 3.59Å; R250-E286 PolarHBondContact NH1-OE2 3.39Å; R250-E286 IonicContact NH2-OE1 3.02Å; R250-E286 PolarHBondContact NH2-OE1 3.09Å; R250-E286 VanDerWaalsContact NH2-OE1 3.07Å; R250-E286 IonicContact NH2-OE2 3.3Å; R250-E286 PolarHBondContact NH2-OE2 3.28Å
251	P	95.8	Very high	97.9	Very high	92 Å²	92	39.8 Å²	39.8	60%	0.597	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-29.8	174	-24.6	36	0	0	0	112.8	K199 E247 A249	K199-P251 VanDerWaalsContact CE-O 3.23Å; K199-P251 WeakPolarHBondContact CE-O 3.44Å; K199-P251 PolarHBondContact NZ-O 3.16Å; E247-P251 WeakPolarHBondContact O-CD 3.18Å; A249-P251 VanDerWaalsContact C-CD 3.42Å; A249-P251 VanDerWaalsContact C-N 3.32Å
252	K	96.1	Very high	97.9	Very high	97 Å²	97	38.4 Å²	38.4	42%	0.422	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-26.3	-169	-55	168.9	-171.8	165	0	113.5	Y223 E248 A249 R250	Y223-K252 HydrophobicContact CD2-CB 4.43Å; Y223-K252 HydrophobicContact CE2-CB 3.86Å; Y223-K252 HydrophobicContact CE2-CD 4.19Å; Y223-K252 WeakPolarHBondContact OH-CD 2.99Å; E248-K252 IonicContact OE1-NZ 3.89Å; E248-K252 PolarHBondContact OE1-NZ 3.17Å; E248-K252 VanDerWaalsContact OE1-NZ 3.16Å; A249-K252 WeakPolarHBondContact O-CA 3.31Å; A249-K252 PolarHBondContact O-N 2.78Å; R250-K252 PolarHBondContact O-N 2.89Å
253	C	97.2	Very high	97.8	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	18%	0.178	C	C	.	.			trans	-150.5	171.2	-176.1	70.8	0	0	0	0	111.6	P200 Y223 A249 P255	P200-C253 HydrophobicContact CG-CB 4.25Å; P200-C253 CarbonylContact O-C 3.39Å; P200-C253 VanDerWaalsContact O-CA 3.3Å; P200-C253 WeakPolarHBondContact O-CA 2.93Å; P200-C253 VanDerWaalsContact O-CB 3.3Å; P200-C253 WeakPolarHBondContact O-CB 3.48Å; Y223-C253 HydrophobicContact CD1-CB 3.82Å; Y223-C253 VanDerWaalsContact CD1-SG 3.51Å; Y223-C253 HydrophobicContact CD2-CB 4.33Å; Y223-C253 HydrophobicContact CG-CB 3.62Å; A249-C253 PolarHBondContact O-N 3.35Å; A249-C253 PolarHBondContact O-SG 3Å; A249-C253 VanDerWaalsContact O-SG 3.33Å; C253-P255 WeakPolarHBondContact O-CD 3.31Å
254	R	96.7	Very high	97.7	Very high	99 Å²	99	34 Å²	34	37%	0.374	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	102	166.9	-178.9	-175.9	62.7	79.4	1.9	109.3	D195 P200 V201 G202 A256	D195-R254 HydrophobicContact CB-CB 4.45Å; P200-R254 PolarHBondContact O-N 3.3Å; V201-R254 CarbonylContact C-O 3.55Å; V201-R254 WeakPolarHBondContact CA-O 3.32Å; G202-R254 PolarHBondContact N-O 3.4Å; R254-A256 PolarHBondContact O-N 3.26Å
255	P	97.5	Very high	97.6	Very high	21 Å²	21	29.7 Å²	29.7	14%	0.136	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	138	175.4	-22.6	33.1	0	0	0	111.6	I225 L246 R250 C253 L288	I225-P255 HydrophobicContact CD1-CB 3.91Å; I225-P255 HydrophobicContact CD1-CG 3.82Å; L246-P255 HydrophobicContact CD1-CB 3.3Å; L246-P255 HydrophobicContact CD1-CG 3.35Å; L246-P255 HydrophobicContact CG-CG 4.21Å; R250-P255 HydrophobicContact CG-CG 4.43Å; C253-P255 WeakPolarHBondContact O-CD 3.31Å; P255-L288 HydrophobicContact CB-CD2 3.9Å
256	A	97.6	Very high	97.5	Very high	9 Å²	9	29.6 Å²	29.6	7%	0.074	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	-16.7	-179.1	0	0	0	0	0	114.7	F191 V201 G202 R254 F289	F191-A256 HydrophobicContact CD1-CB 4.12Å; V201-A256 HydrophobicContact CG2-CB 3.46Å; V201-A256 VanDerWaalsContact CG2-CB 3.46Å; G202-A256 PolarHBondContact O-N 2.99Å; R254-A256 PolarHBondContact O-N 3.26Å; A256-F289 PolarHBondContact O-N 3.43Å
257	L	98.5	Very high	97.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	132.3	-171.5	172.7	59.9	0	0	0	110.3	M188 F191 V203 M204 F289 F291	M188-L257 HydrophobicContact CE-CD2 4.33Å; M188-L257 HydrophobicContact CG-CD2 4.21Å; F191-L257 HydrophobicContact CD2-CD2 4.18Å; F191-L257 HydrophobicContact CE2-CD2 4.22Å; V203-L257 WeakPolarHBondContact CA-O 3.4Å; V203-L257 HydrophobicContact CG1-CB 4.37Å; V203-L257 HydrophobicContact CG1-CD2 3.94Å; V203-L257 HydrophobicContact CG1-CG 4.04Å; V203-L257 HydrophobicContact CG2-CB 4.06Å; V203-L257 HydrophobicContact CG2-CD2 3.93Å; V203-L257 HydrophobicContact CG2-CG 4.35Å; M204-L257 PolarHBondContact N-O 3.47Å; L257-F289 WeakPolarHBondContact CA-O 3.35Å; L257-F289 HydrophobicContact CD1-CB 4.18Å; L257-F289 HydrophobicContact CD1-CD1 4.13Å; L257-F289 VanDerWaalsContact CD1-O 3.28Å; L257-F289 WeakPolarHBondContact CD1-O 3.39Å; L257-F291 HydrophobicContact CD1-CB 4.07Å; L257-F291 HydrophobicContact CD1-CD1 3.49Å; L257-F291 VanDerWaalsContact CD1-CD1 3.49Å; L257-F291 HydrophobicContact CD1-CD2 4.14Å; L257-F291 HydrophobicContact CD1-CE1 3.81Å; L257-F291 HydrophobicContact CD1-CE2 4.42Å; L257-F291 HydrophobicContact CD1-CG 3.64Å; L257-F291 HydrophobicContact CD1-CZ 4.23Å; L257-F291 HydrophobicContact CD2-CD2 4.06Å; L257-F291 HydrophobicContact CD2-CE1 4.42Å; L257-F291 HydrophobicContact CD2-CE2 3.87Å; L257-F291 HydrophobicContact CD2-CG 4.41Å; L257-F291 HydrophobicContact CD2-CZ 4.02Å
258	L	98.8	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	122.6	169	174.5	58.4	0	0	0	109.8	M204 Y227 L242 V260 V279 F282 A283 L288 F289 L290 F291	M204-L258 HydrophobicContact CB-CD1 3.62Å; M204-L258 HydrophobicContact SD-CD1 4.21Å; Y227-L258 HydrophobicContact CE1-CD1 3.69Å; L242-L258 HydrophobicContact CD1-CD2 4.29Å; L242-L258 HydrophobicContact CD2-CD1 3.98Å; L258-V260 HydrophobicContact CD1-CG2 4.38Å; L258-V260 HydrophobicContact CD2-CG2 4.35Å; L258-V260 HydrophobicContact CG-CG2 4Å; L258-V279 HydrophobicContact CD2-CG1 3.8Å; L258-F282 HydrophobicContact CD2-CD1 4.14Å; L258-F282 HydrophobicContact CD2-CE1 4.37Å; L258-A283 HydrophobicContact CD2-CB 4.27Å; L258-L288 HydrophobicContact CB-CB 4.39Å; L258-L288 HydrophobicContact CB-CD1 4.17Å; L258-F289 PolarHBondContact N-O 2.93Å; L258-L290 HydrophobicContact CB-CD1 4.12Å; L258-L290 HydrophobicContact CD2-CD1 4.04Å; L258-L290 HydrophobicContact CG-CD1 3.98Å; L258-F291 PolarHBondContact O-N 3.35Å
259	C	98.7	Very high	97.3	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.014	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	123.4	175.6	-59.8	0	0	0	0	110.3	M204 V205 Y213 Y227 F291	M204-C259 WeakPolarHBondContact O-CB 3.41Å; M204-C259 PolarHBondContact O-N 3.5Å; V205-C259 HydrophobicContact CG1-CB 4.43Å; Y213-C259 HydrophobicContact CD1-CB 3.75Å; Y213-C259 HydrophobicContact CE1-CB 3.5Å; Y213-C259 VanDerWaalsContact CE1-SG 3.55Å; Y227-C259 PolarHBondContact OH-O 3.43Å; C259-F291 HydrophobicContact CB-CB 4.39Å
260	V	98.6	Very high	97.3	Very high	3 Å²	3	21 Å²	21	2%	0.018	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.3	177.6	-172.8	0	0	0	0	109.5	L237 L258 L271 V279 L290 F291 D293 F310	L237-V260 HydrophobicContact CD1-CG1 4.19Å; L237-V260 HydrophobicContact CD1-CG2 4.3Å; L258-V260 HydrophobicContact CD1-CG2 4.38Å; L258-V260 HydrophobicContact CD2-CG2 4.35Å; L258-V260 HydrophobicContact CG-CG2 4Å; V260-L271 HydrophobicContact CG1-CD1 3.71Å; V260-V279 HydrophobicContact CG2-CG1 4.07Å; V260-L290 HydrophobicContact CG2-CD1 4.06Å; V260-F291 PolarHBondContact N-O 3.02Å; V260-D293 PolarHBondContact O-N 2.73Å; V260-F310 HydrophobicContact CB-CE2 4.1Å; V260-F310 HydrophobicContact CB-CZ 3.96Å; V260-F310 HydrophobicContact CG1-CE2 3.8Å; V260-F310 HydrophobicContact CG1-CZ 3.72Å; V260-F310 HydrophobicContact CG2-CZ 4.1Å
261	I	98.2	Very high	97.3	Very high	11 Å²	11	17.6 Å²	17.6	6%	0.056	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	115.2	176.5	-47.2	175.3	0	0	0	107.9	Y210 Y213 G264 D293	Y210-I261 VanDerWaalsContact CB-CD1 3.43Å; Y213-I261 HydrophobicContact CD2-CD1 3.97Å; Y213-I261 HydrophobicContact CE2-CD1 3.59Å; Y213-I261 HydrophobicContact CE2-CG1 3.87Å; I261-G264 WeakPolarHBondContact O-CA 3.28Å; I261-D293 HydrophobicContact CB-CB 4.34Å; I261-D293 HydrophobicContact CG1-CB 4.11Å; I261-D293 HydrophobicContact CG2-CB 4.21Å
262	N	97.7	Very high	97.4	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-146.2	117.6	-176.5	-176.8	41.4	0	0	0	111.8	L271 D293 E294 F310	N262-L271 HydrophobicContact CB-CD1 4.16Å; N262-L271 HydrophobicContact CB-CG 4.16Å; N262-L271 PolarHBondContact OD1-N 3.2Å; N262-D293 PolarHBondContact N-O 2.99Å; N262-E294 WeakPolarHBondContact O-CA 3.36Å; N262-F310 HydrophobicContact CB-CE2 4.48Å
263	P	97.6	Very high	97.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.077	C	C	.	.	S	Bend	cis	-58.7	149.7	-7.7	-27.3	36.8	0	0	0	114.3	Q269 V270 Y296 V300 A447	P263-Q269 CarbonylContact C-O 3.59Å; P263-Q269 WeakPolarHBondContact CA-O 3.34Å; P263-V270 HydrophobicContact CB-CG2 3.94Å; P263-V270 HydrophobicContact CG-CG2 3.97Å; P263-Y296 WeakPolarHBondContact CG-O 3.37Å; P263-Y296 WeakPolarHBondContact O-CD2 3.43Å; P263-V300 HydrophobicContact CG-CG2 3.97Å; P263-A447 HydrophobicContact CB-CB 4.22Å
264	G	96.4	Very high	97.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.			trans	-84.9	146	-166	0	0	0	0	0	116.2	I261 G268 Q269 A447	I261-G264 WeakPolarHBondContact O-CA 3.28Å; G264-G268 WeakPolarHBondContact O-CA 3.25Å; G264-G268 PolarHBondContact O-N 3.27Å; G264-Q269 PolarHBondContact N-O 3.28Å; G264-A447 WeakPolarHBondContact O-CB 3.21Å
265	N	96	Very high	97.6	Very high	5 Å²	5	14.3 Å²	14.3	3%	0.027	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	122.8	169	171.7	10.4	0	0	0	107.9	Y210 Y296 Y449	Y210-N265 WeakPolarHBondContact CD2-ND2 3.35Å; N265-Y296 HydrophobicContact CB-CE2 4.02Å; N265-Y449 HydrophobicContact CB-CD2 4.11Å; N265-Y449 HydrophobicContact CB-CE2 4.22Å; N265-Y449 WeakPolarHBondContact OD1-CD2 3.17Å
266	P	96.6	Very high	97.6	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	cis	-98.2	-0.9	19.5	38	-37.8	0	0	0	116.5	P208 Y449 F451 F496 R506	P208-P266 HydrophobicContact CB-CG 3.72Å; P208-P266 HydrophobicContact CG-CG 3.95Å; P266-Y449 WeakPolarHBondContact O-CB 3.47Å; P266-F451 HydrophobicContact CB-CD2 3.7Å; P266-F451 HydrophobicContact CB-CE2 4.15Å; P266-F451 HydrophobicContact CB-CG 4.32Å; P266-F451 HydrophobicContact CG-CD1 4.49Å; P266-F451 HydrophobicContact CG-CD2 3.54Å; P266-F451 HydrophobicContact CG-CE2 3.69Å; P266-F451 HydrophobicContact CG-CG 3.96Å; P266-F451 HydrophobicContact CG-CZ 4.23Å; P266-F496 HydrophobicContact CB-CD1 3.97Å; P266-F496 HydrophobicContact CB-CE1 4.07Å; P266-F496 HydrophobicContact CB-CG 4.46Å; P266-F496 HydrophobicContact CG-CB 4.2Å; P266-F496 HydrophobicContact CG-CD1 3.79Å; P266-F496 HydrophobicContact CG-CE1 4.38Å; P266-F496 HydrophobicContact CG-CG 3.98Å; P266-R506 HydrophobicContact CB-CB 4.22Å; P266-R506 VanDerWaalsContact CB-CD 3.43Å; P266-R506 HydrophobicContact CB-CG 3.69Å
267	T	96.7	Very high	97.7	Very high	5 Å²	5	15.3 Å²	15.3	3%	0.031	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-15.2	-162.1	34	0	0	0	0	115.1	P208 W235 Q269 F451	P208-T267 HydrophobicContact CG-CG2 3.37Å; W235-T267 HydrophobicContact CB-CG2 4.08Å; W235-T267 HydrophobicContact CD2-CG2 3.37Å; W235-T267 HydrophobicContact CE3-CG2 3.84Å; W235-T267 HydrophobicContact CG-CG2 3.5Å; W235-T267 VanDerWaalsContact CG-CG2 3.5Å; W235-T267 HydrophobicContact CZ2-CG2 4.2Å; W235-T267 HydrophobicContact CZ3-CG2 4.4Å; T267-Q269 VanDerWaalsContact CB-OE1 3.24Å; T267-Q269 PolarHBondContact O-N 2.86Å; T267-Q269 VanDerWaalsContact OG1-CD 3.25Å; T267-Q269 PolarHBondContact OG1-NE2 3.09Å; T267-Q269 PolarHBondContact OG1-OE1 2.83Å; T267-F451 HydrophobicContact CG2-CB 3.86Å; T267-F451 HydrophobicContact CG2-CD1 3.97Å; T267-F451 HydrophobicContact CG2-CG 4.12Å
268	G	96.6	Very high	97.7	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.108	C	C	.	.			trans	73.1	11.2	175.4	0	0	0	0	0	114.8	G264 Q445 G446	G264-G268 WeakPolarHBondContact O-CA 3.25Å; G264-G268 PolarHBondContact O-N 3.27Å; G268-Q445 CarbonylContact O-C 3.47Å; G268-Q445 WeakPolarHBondContact O-CA 3.47Å; G268-Q445 WeakPolarHBondContact O-CB 3.27Å; G268-Q445 PolarHBondContact O-N 3.38Å; G268-G446 PolarHBondContact O-N 2.8Å
269	Q	97.4	Very high	97.7	Very high	10 Å²	10	19.8 Å²	19.8	5%	0.047	11%	0.108	C	C	.	.			trans	-72.4	154.9	177.1	81.6	-72.8	12.1	0	0	112.1	N234 W235 P263 G264 T267 L271	N234-Q269 VanDerWaalsContact O-CB 3.3Å; N234-Q269 WeakPolarHBondContact O-CB 3.45Å; W235-Q269 HydrophobicContact CB-CB 4.15Å; W235-Q269 HydrophobicContact CB-CG 4.32Å; P263-Q269 CarbonylContact C-O 3.59Å; P263-Q269 WeakPolarHBondContact CA-O 3.34Å; G264-Q269 PolarHBondContact N-O 3.28Å; T267-Q269 VanDerWaalsContact CB-OE1 3.24Å; T267-Q269 PolarHBondContact O-N 2.86Å; T267-Q269 VanDerWaalsContact OG1-CD 3.25Å; T267-Q269 PolarHBondContact OG1-NE2 3.09Å; T267-Q269 PolarHBondContact OG1-OE1 2.83Å; Q269-L271 HydrophobicContact CG-CD2 4.47Å
270	V	98	Very high	97.7	Very high	8 Å²	8	19.7 Å²	19.7	5%	0.048	11%	0.107	C	C	.	.			trans	-125.1	122	172.6	-178.2	0	0	0	0	108	P263 V300 Q445	P263-V270 HydrophobicContact CB-CG2 3.94Å; P263-V270 HydrophobicContact CG-CG2 3.97Å; V270-V300 HydrophobicContact CG1-CG1 4.48Å; V270-V300 HydrophobicContact CG1-CG2 4.32Å; V270-V300 HydrophobicContact CG2-CG1 4.26Å; V270-V300 HydrophobicContact CG2-CG2 4.16Å; V270-Q445 HydrophobicContact CB-CB 4.17Å; V270-Q445 HydrophobicContact CG2-CB 3.71Å
271	L	97.7	Very high	97.7	Very high	6 Å²	6	23.4 Å²	23.4	3%	0.031	12%	0.123	C	C	.	.			trans	-70.6	135.4	179.8	-56.5	-174.5	0	0	0	110.4	L237 V260 N262 Q269 I276 F310	L237-L271 HydrophobicContact CB-CD2 4.13Å; V260-L271 HydrophobicContact CG1-CD1 3.71Å; N262-L271 HydrophobicContact CB-CD1 4.16Å; N262-L271 HydrophobicContact CB-CG 4.16Å; N262-L271 PolarHBondContact OD1-N 3.2Å; Q269-L271 HydrophobicContact CG-CD2 4.47Å; L271-I276 HydrophobicContact CB-CD1 4.33Å; L271-I276 HydrophobicContact CB-CG1 3.91Å; L271-I276 HydrophobicContact CD1-CG1 4.33Å; L271-F310 HydrophobicContact CD1-CE2 4.43Å; L271-F310 HydrophobicContact CD1-CZ 4.3Å
272	T	97.3	Very high	97.7	Very high	86 Å²	86	23 Å²	23	53%	0.528	12%	0.121	S	C	.	.			trans	-71.4	158.7	171	66.3	0	0	0	0	110.1	A274 N275 I276	T272-A274 VanDerWaalsContact C-N 3.28Å; T272-A274 PolarHBondContact O-N 3.44Å; T272-N275 PolarHBondContact O-N 3.04Å; T272-N275 PolarHBondContact OG1-N 3.35Å; T272-I276 WeakPolarHBondContact O-CG1 3.3Å; T272-I276 PolarHBondContact O-N 3.4Å
273	R	97.7	Very high	97.8	Very high	60 Å²	60	23 Å²	23	23%	0.226	12%	0.121	C	C	.	.	H	α-helix	trans	-53.1	-46.5	173.1	176.2	172.3	173.4	89.7	15.6	112.2	N275 I276 E277 V313 E316	R273-N275 VanDerWaalsContact C-N 3.3Å; R273-N275 PolarHBondContact O-N 3.32Å; R273-I276 WeakPolarHBondContact O-CB 3.46Å; R273-I276 PolarHBondContact O-N 2.81Å; R273-I276 VanDerWaalsContact O-N 3.13Å; R273-E277 HydrophobicContact CG-CG 4.39Å; R273-E277 IonicContact CZ-OE1 3.37Å; R273-E277 IonicContact NE-OE1 3.67Å; R273-E277 PolarHBondContact NE-OE1 3.47Å; R273-E277 IonicContact NH2-OE1 2.8Å; R273-E277 PolarHBondContact NH2-OE1 3.23Å; R273-E277 WeakPolarHBondContact O-CG 3.42Å; R273-E277 PolarHBondContact O-N 3.49Å; R273-V313 HydrophobicContact CG-CG2 4.29Å; R273-E316 IonicContact CZ-OE2 3.65Å; R273-E316 IonicContact NH1-OE2 3.48Å; R273-E316 PolarHBondContact NH1-OE2 2.84Å; R273-E316 IonicContact NH2-OE2 2.7Å
274	A	98	Very high	97.8	Very high	57 Å²	57	27.9 Å²	27.9	47%	0.471	14%	0.14	S	C	.	.	H	α-helix	trans	-58.1	-42.6	-179.6	0	0	0	0	0	111.9	T272 I276 E277 E278	T272-A274 VanDerWaalsContact C-N 3.28Å; T272-A274 PolarHBondContact O-N 3.44Å; A274-I276 VanDerWaalsContact C-N 3.35Å; A274-I276 PolarHBondContact O-N 2.84Å; A274-E277 WeakPolarHBondContact O-CB 3.3Å; A274-E277 PolarHBondContact O-N 2.96Å; A274-E278 WeakPolarHBondContact O-CG 3.39Å; A274-E278 PolarHBondContact O-N 2.96Å
275	N	97.6	Very high	97.9	Very high	17 Å²	17	33 Å²	33	9%	0.091	16%	0.164	C	C	.	.	H	α-helix	trans	-70	-32.4	178.9	-165.6	-140.6	0	0	0	112.3	L237 T272 R273 E278 V279	L237-N275 PolarHBondContact N-OD1 3.15Å; L237-N275 PolarHBondContact O-ND2 2.97Å; L237-N275 PolarHBondContact O-OD1 2.66Å; T272-N275 PolarHBondContact O-N 3.04Å; T272-N275 PolarHBondContact OG1-N 3.35Å; R273-N275 VanDerWaalsContact C-N 3.3Å; R273-N275 PolarHBondContact O-N 3.32Å; N275-E278 PolarHBondContact ND2-OE2 3.09Å; N275-E278 PolarHBondContact O-N 3.41Å; N275-V279 VanDerWaalsContact O-CG2 3.22Å; N275-V279 WeakPolarHBondContact O-CG2 3.33Å; N275-V279 PolarHBondContact O-N 3.37Å
276	I	98.6	Very high	98	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-64.4	-43.5	170.6	-64.2	169.8	0	0	0	110.9	L271 T272 R273 A274 E278 V279 V280 H308 F310 V313	L271-I276 HydrophobicContact CB-CD1 4.33Å; L271-I276 HydrophobicContact CB-CG1 3.91Å; L271-I276 HydrophobicContact CD1-CG1 4.33Å; T272-I276 WeakPolarHBondContact O-CG1 3.3Å; T272-I276 PolarHBondContact O-N 3.4Å; R273-I276 WeakPolarHBondContact O-CB 3.46Å; R273-I276 PolarHBondContact O-N 2.81Å; R273-I276 VanDerWaalsContact O-N 3.13Å; A274-I276 VanDerWaalsContact C-N 3.35Å; A274-I276 PolarHBondContact O-N 2.84Å; I276-E278 VanDerWaalsContact C-N 3.31Å; I276-E278 PolarHBondContact O-N 3.26Å; I276-V279 PolarHBondContact O-N 2.84Å; I276-V280 HydrophobicContact CG2-CG2 4.31Å; I276-V280 VanDerWaalsContact O-CG2 3.27Å; I276-V280 WeakPolarHBondContact O-CG2 3.06Å; I276-V280 PolarHBondContact O-N 3.32Å; I276-H308 HydrophobicContact CD1-CB 3.7Å; I276-H308 VanDerWaalsContact CD1-O 3.31Å; I276-H308 WeakPolarHBondContact CD1-O 3.29Å; I276-F310 HydrophobicContact CB-CE1 4.45Å; I276-F310 HydrophobicContact CB-CZ 4.47Å; I276-F310 HydrophobicContact CG1-CE2 4.22Å; I276-F310 HydrophobicContact CG1-CZ 4.13Å; I276-F310 HydrophobicContact CG2-CD1 3.62Å; I276-F310 HydrophobicContact CG2-CD2 4.38Å; I276-F310 HydrophobicContact CG2-CE1 3.62Å; I276-F310 HydrophobicContact CG2-CE2 4.35Å; I276-F310 HydrophobicContact CG2-CG 4.04Å; I276-F310 HydrophobicContact CG2-CZ 3.99Å; I276-V313 HydrophobicContact CB-CG1 4.23Å; I276-V313 HydrophobicContact CB-CG2 4.3Å; I276-V313 HydrophobicContact CD1-CG2 4.35Å; I276-V313 HydrophobicContact CG2-CB 3.68Å; I276-V313 HydrophobicContact CG2-CG1 3.65Å; I276-V313 HydrophobicContact CG2-CG2 3.8Å
277	E	98.8	Very high	98.1	Very high	52 Å²	52	43.9 Å²	43.9	24%	0.243	21%	0.212	C	C	.	.	H	α-helix	trans	-60.4	-40.6	176.6	-66.6	179.2	176.9	0	0	112	R273 A274 V280 K281 V313 M317	R273-E277 HydrophobicContact CG-CG 4.39Å; R273-E277 IonicContact CZ-OE1 3.37Å; R273-E277 IonicContact NE-OE1 3.67Å; R273-E277 PolarHBondContact NE-OE1 3.47Å; R273-E277 IonicContact NH2-OE1 2.8Å; R273-E277 PolarHBondContact NH2-OE1 3.23Å; R273-E277 WeakPolarHBondContact O-CG 3.42Å; R273-E277 PolarHBondContact O-N 3.49Å; A274-E277 WeakPolarHBondContact O-CB 3.3Å; A274-E277 PolarHBondContact O-N 2.96Å; E277-V280 PolarHBondContact O-N 2.85Å; E277-K281 VanDerWaalsContact O-CG 3.3Å; E277-K281 WeakPolarHBondContact O-CG 3.18Å; E277-K281 PolarHBondContact O-N 3.38Å; E277-V313 HydrophobicContact CB-CG1 4.49Å; E277-V313 HydrophobicContact CG-CG1 3.53Å; E277-M317 HydrophobicContact CB-CE 4Å; E277-M317 HydrophobicContact CB-SD 3.92Å; E277-M317 HydrophobicContact CG-CE 4.34Å; E277-M317 HydrophobicContact CG-CG 4.05Å; E277-M317 HydrophobicContact CG-SD 3.73Å
278	E	98.6	Very high	98.2	Very high	93 Å²	93	44 Å²	44	44%	0.435	21%	0.212	S	C	.	.	H	α-helix	trans	-61.6	-44.1	174.2	-72.9	174.8	156.2	0	0	112.4	I239 A274 N275 I276 K281 F282	I239-E278 HydrophobicContact CD1-CB 3.81Å; I239-E278 HydrophobicContact CG1-CB 3.75Å; A274-E278 WeakPolarHBondContact O-CG 3.39Å; A274-E278 PolarHBondContact O-N 2.96Å; N275-E278 PolarHBondContact ND2-OE2 3.09Å; N275-E278 PolarHBondContact O-N 3.41Å; I276-E278 VanDerWaalsContact C-N 3.31Å; I276-E278 PolarHBondContact O-N 3.26Å; E278-K281 PolarHBondContact O-N 3.47Å; E278-F282 PolarHBondContact O-N 3.3Å
279	V	98.7	Very high	98.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-43.2	176.4	171.3	0	0	0	0	111.4	L237 I239 L258 V260 N275 I276 F282 A283 L290 F310	L237-V279 HydrophobicContact CD1-CG2 3.72Å; L237-V279 HydrophobicContact CD2-CG2 3.46Å; L237-V279 VanDerWaalsContact CD2-CG2 3.46Å; L237-V279 HydrophobicContact CG-CG2 4.13Å; I239-V279 HydrophobicContact CD1-CG2 4.09Å; L258-V279 HydrophobicContact CD2-CG1 3.8Å; V260-V279 HydrophobicContact CG2-CG1 4.07Å; N275-V279 VanDerWaalsContact O-CG2 3.22Å; N275-V279 WeakPolarHBondContact O-CG2 3.33Å; N275-V279 PolarHBondContact O-N 3.37Å; I276-V279 PolarHBondContact O-N 2.84Å; V279-F282 PolarHBondContact O-N 3.39Å; V279-A283 WeakPolarHBondContact O-CB 3.36Å; V279-A283 PolarHBondContact O-N 2.95Å; V279-L290 HydrophobicContact CG1-CD1 4.42Å; V279-F310 HydrophobicContact CB-CE1 4.19Å; V279-F310 HydrophobicContact CG1-CE1 3.74Å; V279-F310 HydrophobicContact CG1-CZ 4.11Å
280	V	98.8	Very high	98.3	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.9	-44.6	177.5	169.1	0	0	0	0	110.5	I276 E277 F282 A283 Y284 L290 F310 M314 M317 Y321 M324	I276-V280 HydrophobicContact CG2-CG2 4.31Å; I276-V280 VanDerWaalsContact O-CG2 3.27Å; I276-V280 WeakPolarHBondContact O-CG2 3.06Å; I276-V280 PolarHBondContact O-N 3.32Å; E277-V280 PolarHBondContact O-N 2.85Å; V280-F282 PolarHBondContact O-N 3.3Å; V280-A283 PolarHBondContact O-N 3.12Å; V280-Y284 WeakPolarHBondContact O-CB 3.3Å; V280-Y284 PolarHBondContact O-N 3.09Å; V280-L290 HydrophobicContact CG2-CD2 4.35Å; V280-F310 HydrophobicContact CG2-CD1 4.06Å; V280-F310 HydrophobicContact CG2-CE1 4.31Å; V280-M314 HydrophobicContact CB-CG 4.32Å; V280-M314 HydrophobicContact CG1-CG 3.81Å; V280-M314 HydrophobicContact CG2-CG 3.45Å; V280-M314 VanDerWaalsContact CG2-CG 3.45Å; V280-M314 HydrophobicContact CG2-SD 4.32Å; V280-M317 HydrophobicContact CB-CE 4.22Å; V280-M317 HydrophobicContact CB-SD 4Å; V280-M317 HydrophobicContact CG1-CE 3.94Å; V280-M317 HydrophobicContact CG1-SD 3.79Å; V280-M317 HydrophobicContact CG2-SD 4.48Å; V280-Y321 HydrophobicContact CG1-CD1 3.99Å; V280-Y321 HydrophobicContact CG1-CG 4.14Å; V280-M324 HydrophobicContact CG1-SD 3.76Å
281	K	98.8	Very high	98.4	Very high	81 Å²	81	43.6 Å²	43.6	35%	0.352	21%	0.21	S	C	.	.	H	α-helix	trans	-58.6	-47.5	174.7	-73.6	168.9	-177	172.7	0	111.9	E277 E278 Y284 E285 M317 Y321	E277-K281 VanDerWaalsContact O-CG 3.3Å; E277-K281 WeakPolarHBondContact O-CG 3.18Å; E277-K281 PolarHBondContact O-N 3.38Å; E278-K281 PolarHBondContact O-N 3.47Å; K281-Y284 WeakPolarHBondContact O-CB 3.45Å; K281-Y284 PolarHBondContact O-N 3.09Å; K281-E285 WeakPolarHBondContact O-CB 3.43Å; K281-E285 VanDerWaalsContact O-CG 3.29Å; K281-E285 WeakPolarHBondContact O-CG 3.38Å; K281-E285 PolarHBondContact O-N 3.11Å; K281-M317 HydrophobicContact CG-CE 3.95Å; K281-Y321 HydrophobicContact CB-CE1 4.28Å; K281-Y321 HydrophobicContact CG-CD1 4.46Å; K281-Y321 HydrophobicContact CG-CE1 3.68Å
282	F	98.7	Very high	98.4	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.009	21%	0.209	C	C	.	.	H	α-helix	trans	-59.9	-49.3	177.1	171.6	-92.9	0	0	0	112.1	M204 I239 L242 K243 L246 L258 E278 V279 V280 Y284 E285 E286 L288	M204-F282 HydrophobicContact CE-CE1 4.09Å; M204-F282 HydrophobicContact CE-CZ 4.01Å; M204-F282 HydrophobicContact SD-CE1 3.88Å; M204-F282 HydrophobicContact SD-CZ 4.18Å; I239-F282 HydrophobicContact CD1-CB 4.46Å; I239-F282 HydrophobicContact CG2-CB 4.34Å; I239-F282 HydrophobicContact CG2-CD2 4.24Å; L242-F282 HydrophobicContact CB-CD1 4.32Å; L242-F282 HydrophobicContact CB-CD2 4.33Å; L242-F282 HydrophobicContact CB-CE1 3.91Å; L242-F282 HydrophobicContact CB-CE2 3.92Å; L242-F282 HydrophobicContact CB-CZ 3.68Å; L242-F282 HydrophobicContact CD1-CD1 3.64Å; L242-F282 HydrophobicContact CD1-CE1 3.85Å; L242-F282 HydrophobicContact CD1-CG 4.06Å; L242-F282 HydrophobicContact CD1-CZ 4.45Å; L242-F282 HydrophobicContact CD2-CE1 4.47Å; L242-F282 HydrophobicContact CG-CE1 4.34Å; K243-F282 HydrophobicContact CB-CE2 4.44Å; K243-F282 HydrophobicContact CG-CD2 3.91Å; K243-F282 HydrophobicContact CG-CE2 3.59Å; L246-F282 HydrophobicContact CB-CZ 4.34Å; L246-F282 HydrophobicContact CD2-CE2 4.27Å; L246-F282 HydrophobicContact CD2-CZ 3.81Å; L258-F282 HydrophobicContact CD2-CD1 4.14Å; L258-F282 HydrophobicContact CD2-CE1 4.37Å; E278-F282 PolarHBondContact O-N 3.3Å; V279-F282 PolarHBondContact O-N 3.39Å; V280-F282 PolarHBondContact O-N 3.3Å; F282-Y284 VanDerWaalsContact C-N 3.27Å; F282-Y284 PolarHBondContact O-N 3.04Å; F282-E285 PolarHBondContact O-N 3.27Å; F282-E286 HydrophobicContact CD2-CG 4.12Å; F282-E286 HydrophobicContact CE1-CG 4.35Å; F282-E286 HydrophobicContact CE2-CG 3.76Å; F282-E286 HydrophobicContact CZ-CG 3.91Å; F282-E286 WeakPolarHBondContact O-CB 3.35Å; F282-E286 WeakPolarHBondContact O-CG 3.45Å; F282-E286 PolarHBondContact O-N 3.29Å; F282-L288 HydrophobicContact CD1-CD1 4.37Å; F282-L288 HydrophobicContact CE1-CD1 3.7Å; F282-L288 HydrophobicContact CZ-CD1 4.44Å
283	A	98.7	Very high	98.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.4	-33.1	179.9	0	0	0	0	0	112.2	L258 V279 V280 K287 L288 M324	L258-A283 HydrophobicContact CD2-CB 4.27Å; V279-A283 WeakPolarHBondContact O-CB 3.36Å; V279-A283 PolarHBondContact O-N 2.95Å; V280-A283 PolarHBondContact O-N 3.12Å; A283-K287 PolarHBondContact O-N 3.48Å; A283-L288 HydrophobicContact CB-CB 4.22Å; A283-L288 PolarHBondContact O-N 3.01Å; A283-M324 HydrophobicContact CB-CE 3.6Å
284	Y	98.6	Very high	98.5	Very high	104 Å²	104	36.6 Å²	36.6	41%	0.408	17%	0.174	S	C	.	.	H	α-helix	trans	-63.7	-54.1	171.9	179.4	-106.1	0	0	0	111.9	V280 K281 F282 E286 K287 P320 Y321 M324	V280-Y284 WeakPolarHBondContact O-CB 3.3Å; V280-Y284 PolarHBondContact O-N 3.09Å; K281-Y284 WeakPolarHBondContact O-CB 3.45Å; K281-Y284 PolarHBondContact O-N 3.09Å; F282-Y284 VanDerWaalsContact C-N 3.27Å; F282-Y284 PolarHBondContact O-N 3.04Å; Y284-E286 PolarHBondContact O-N 3.37Å; Y284-K287 PolarHBondContact O-N 2.83Å; Y284-K287 VanDerWaalsContact O-N 3.12Å; Y284-P320 HydrophobicContact CD1-CG 4.13Å; Y284-P320 HydrophobicContact CD2-CB 4.34Å; Y284-P320 HydrophobicContact CD2-CG 4.34Å; Y284-P320 HydrophobicContact CE1-CB 4.12Å; Y284-P320 HydrophobicContact CE1-CG 3.52Å; Y284-P320 HydrophobicContact CE2-CB 3.51Å; Y284-P320 HydrophobicContact CE2-CG 3.78Å; Y284-P320 HydrophobicContact CG-CG 4.5Å; Y284-P320 VanDerWaalsContact OH-CB 3.26Å; Y284-P320 WeakPolarHBondContact OH-CB 3.31Å; Y284-P320 WeakPolarHBondContact OH-CG 3.44Å; Y284-Y321 HydrophobicContact CD1-CD1 4.43Å; Y284-Y321 HydrophobicContact CD1-CE1 4.02Å; Y284-Y321 HydrophobicContact CG-CD1 4.09Å; Y284-Y321 HydrophobicContact CG-CE1 4.12Å; Y284-M324 VanDerWaalsContact CB-SD 3.53Å; Y284-M324 HydrophobicContact CD2-CG 3.78Å; Y284-M324 HydrophobicContact CD2-SD 4.12Å; Y284-M324 HydrophobicContact CG-SD 4.28Å; Y284-M324 VanDerWaalsContact N-CE 3.28Å
285	E	98.3	Very high	98.5	Very high	108 Å²	108	34.5 Å²	34.5	51%	0.505	16%	0.155	S	C	.	.	H	α-helix	trans	-55.1	-40.8	-179.9	-74.4	168.3	-164	0	0	111.1	K243 K281 F282	K243-E285 IonicContact NZ-OE2 3.81Å; K281-E285 WeakPolarHBondContact O-CB 3.43Å; K281-E285 VanDerWaalsContact O-CG 3.29Å; K281-E285 WeakPolarHBondContact O-CG 3.38Å; K281-E285 PolarHBondContact O-N 3.11Å; F282-E285 PolarHBondContact O-N 3.27Å
286	E	98.2	Very high	98.5	Very high	44 Å²	44	34 Å²	34	21%	0.206	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	2	-176.1	-63.2	-62.9	170.9	0	0	114.4	L246 R250 F282 Y284 L288	L246-E286 HydrophobicContact CD2-CB 3.97Å; L246-E286 HydrophobicContact CD2-CG 3.48Å; L246-E286 VanDerWaalsContact CD2-CG 3.48Å; L246-E286 VanDerWaalsContact CD2-OE2 3.25Å; L246-E286 WeakPolarHBondContact CD2-OE2 3.41Å; R250-E286 IonicContact CZ-OE2 3.32Å; R250-E286 VanDerWaalsContact CZ-OE2 3.3Å; R250-E286 IonicContact NH1-OE2 3.59Å; R250-E286 PolarHBondContact NH1-OE2 3.39Å; R250-E286 IonicContact NH2-OE1 3.02Å; R250-E286 PolarHBondContact NH2-OE1 3.09Å; R250-E286 VanDerWaalsContact NH2-OE1 3.07Å; R250-E286 IonicContact NH2-OE2 3.3Å; R250-E286 PolarHBondContact NH2-OE2 3.28Å; F282-E286 HydrophobicContact CD2-CG 4.12Å; F282-E286 HydrophobicContact CE1-CG 4.35Å; F282-E286 HydrophobicContact CE2-CG 3.76Å; F282-E286 HydrophobicContact CZ-CG 3.91Å; F282-E286 WeakPolarHBondContact O-CB 3.35Å; F282-E286 WeakPolarHBondContact O-CG 3.45Å; F282-E286 PolarHBondContact O-N 3.29Å; Y284-E286 PolarHBondContact O-N 3.37Å; E286-L288 VanDerWaalsContact C-N 3.28Å; E286-L288 HydrophobicContact CB-CD1 3.84Å; E286-L288 HydrophobicContact CB-CG 3.78Å; E286-L288 PolarHBondContact O-N 3.38Å
287	K	97.7	Very high	98.3	Very high	189 Å²	189	34.6 Å²	34.6	82%	0.822	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.2	45	-180	-54.4	179	-177.1	179.4	0	112.5	A283 Y284	A283-K287 PolarHBondContact O-N 3.48Å; Y284-K287 PolarHBondContact O-N 2.83Å; Y284-K287 VanDerWaalsContact O-N 3.12Å
288	L	98.5	Very high	98	Very high	7 Å²	7	34 Å²	34	4%	0.037	15%	0.153	C	C	.	.			trans	-96.8	133.3	179.3	-58.2	174	0	0	0	109.8	M204 P255 L258 F282 A283 E286	M204-L288 HydrophobicContact SD-CD1 3.62Å; P255-L288 HydrophobicContact CB-CD2 3.9Å; L258-L288 HydrophobicContact CB-CB 4.39Å; L258-L288 HydrophobicContact CB-CD1 4.17Å; F282-L288 HydrophobicContact CD1-CD1 4.37Å; F282-L288 HydrophobicContact CE1-CD1 3.7Å; F282-L288 HydrophobicContact CZ-CD1 4.44Å; A283-L288 HydrophobicContact CB-CB 4.22Å; A283-L288 PolarHBondContact O-N 3.01Å; E286-L288 VanDerWaalsContact C-N 3.28Å; E286-L288 HydrophobicContact CB-CD1 3.84Å; E286-L288 HydrophobicContact CB-CG 3.78Å; E286-L288 PolarHBondContact O-N 3.38Å
289	F	98.7	Very high	97.7	Very high	10 Å²	10	29.6 Å²	29.6	4%	0.044	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	141.3	164	-162.5	-71.7	0	0	0	108.5	F191 A256 L257 L258 F291 E325 A327 M352	F191-F289 HydrophobicContact CE1-CB 3.79Å; F191-F289 HydrophobicContact CE1-CD2 4.35Å; F191-F289 HydrophobicContact CE1-CG 4.17Å; F191-F289 HydrophobicContact CZ-CB 3.66Å; F191-F289 HydrophobicContact CZ-CD1 4.07Å; F191-F289 AromaticContact CZ-CD2 3.81Å; F191-F289 HydrophobicContact CZ-CD2 3.81Å; F191-F289 HydrophobicContact CZ-CE2 4.48Å; F191-F289 AromaticContact CZ-CG 3.58Å; F191-F289 HydrophobicContact CZ-CG 3.58Å; A256-F289 PolarHBondContact O-N 3.43Å; L257-F289 WeakPolarHBondContact CA-O 3.35Å; L257-F289 HydrophobicContact CD1-CB 4.18Å; L257-F289 HydrophobicContact CD1-CD1 4.13Å; L257-F289 VanDerWaalsContact CD1-O 3.28Å; L257-F289 WeakPolarHBondContact CD1-O 3.39Å; L258-F289 PolarHBondContact N-O 2.93Å; F289-F291 AromaticContact CD1-CD1 3.75Å; F289-F291 HydrophobicContact CD1-CD1 3.75Å; F289-F291 AromaticContact CD1-CE1 3.71Å; F289-F291 HydrophobicContact CD1-CE1 3.71Å; F289-F291 AromaticContact CE1-CD1 3.79Å; F289-F291 HydrophobicContact CE1-CD1 3.79Å; F289-F291 AromaticContact CE1-CE1 3.62Å; F289-F291 HydrophobicContact CE1-CE1 3.62Å; F289-E325 HydrophobicContact CD2-CB 3.41Å; F289-E325 VanDerWaalsContact CD2-CB 3.41Å; F289-E325 HydrophobicContact CD2-CG 4.27Å; F289-E325 HydrophobicContact CE2-CB 3.34Å; F289-E325 HydrophobicContact CE2-CG 4.2Å; F289-E325 HydrophobicContact CG-CB 4.14Å; F289-E325 HydrophobicContact CZ-CB 3.97Å; F289-A327 HydrophobicContact CE1-CB 3.93Å; F289-A327 HydrophobicContact CZ-CB 4.48Å; F289-M352 HydrophobicContact CE2-CE 3.57Å; F289-M352 HydrophobicContact CZ-CE 3.53Å
290	L	98.8	Very high	97.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	127.2	-178.3	-168.3	57	0	0	0	111.8	L258 V260 V279 V280 F310 M314 E325 L326 A327	L258-L290 HydrophobicContact CB-CD1 4.12Å; L258-L290 HydrophobicContact CD2-CD1 4.04Å; L258-L290 HydrophobicContact CG-CD1 3.98Å; V260-L290 HydrophobicContact CG2-CD1 4.06Å; V279-L290 HydrophobicContact CG1-CD1 4.42Å; V280-L290 HydrophobicContact CG2-CD2 4.35Å; L290-F310 HydrophobicContact CD1-CE1 4.49Å; L290-F310 HydrophobicContact CD2-CD1 3.37Å; L290-F310 HydrophobicContact CD2-CE1 3.76Å; L290-F310 HydrophobicContact CD2-CG 4.26Å; L290-F310 HydrophobicContact CG-CD1 4.29Å; L290-M314 HydrophobicContact CD2-SD 3.98Å; L290-E325 PolarHBondContact N-O 3.27Å; L290-E325 VanDerWaalsContact N-O 3.14Å; L290-L326 HydrophobicContact CB-CD1 3.99Å; L290-L326 HydrophobicContact CD2-CD1 4.12Å; L290-L326 HydrophobicContact CG-CD1 3.92Å; L290-L326 CarbonylContact O-C 3.36Å; L290-L326 WeakPolarHBondContact O-CA 3.23Å; L290-A327 PolarHBondContact O-N 3.14Å
291	F	98.8	Very high	97	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	119.2	167	-86.1	18.2	0	0	0	109	I184 L187 M188 F191 L257 L258 C259 V260 F289 A327 F329	I184-F291 HydrophobicContact CG2-CD2 4.48Å; L187-F291 HydrophobicContact CB-CE1 4.09Å; L187-F291 HydrophobicContact CB-CE2 4.14Å; L187-F291 HydrophobicContact CB-CZ 3.41Å; L187-F291 VanDerWaalsContact CB-CZ 3.41Å; M188-F291 HydrophobicContact CB-CE2 4.11Å; F191-F291 HydrophobicContact CE2-CE1 4.2Å; F191-F291 HydrophobicContact CE2-CZ 4.06Å; L257-F291 HydrophobicContact CD1-CB 4.07Å; L257-F291 HydrophobicContact CD1-CD1 3.49Å; L257-F291 VanDerWaalsContact CD1-CD1 3.49Å; L257-F291 HydrophobicContact CD1-CD2 4.14Å; L257-F291 HydrophobicContact CD1-CE1 3.81Å; L257-F291 HydrophobicContact CD1-CE2 4.42Å; L257-F291 HydrophobicContact CD1-CG 3.64Å; L257-F291 HydrophobicContact CD1-CZ 4.23Å; L257-F291 HydrophobicContact CD2-CD2 4.06Å; L257-F291 HydrophobicContact CD2-CE1 4.42Å; L257-F291 HydrophobicContact CD2-CE2 3.87Å; L257-F291 HydrophobicContact CD2-CG 4.41Å; L257-F291 HydrophobicContact CD2-CZ 4.02Å; L258-F291 PolarHBondContact O-N 3.35Å; C259-F291 HydrophobicContact CB-CB 4.39Å; V260-F291 PolarHBondContact N-O 3.02Å; F289-F291 AromaticContact CD1-CD1 3.75Å; F289-F291 HydrophobicContact CD1-CD1 3.75Å; F289-F291 AromaticContact CD1-CE1 3.71Å; F289-F291 HydrophobicContact CD1-CE1 3.71Å; F289-F291 AromaticContact CE1-CD1 3.79Å; F289-F291 HydrophobicContact CE1-CD1 3.79Å; F289-F291 AromaticContact CE1-CE1 3.62Å; F289-F291 HydrophobicContact CE1-CE1 3.62Å; F291-A327 WeakPolarHBondContact CA-O 3.22Å; F291-A327 HydrophobicContact CD1-CB 3.76Å; F291-A327 HydrophobicContact CE1-CB 3.88Å; F291-F329 HydrophobicContact CB-CE2 3.71Å; F291-F329 HydrophobicContact CB-CZ 4.48Å; F291-F329 AromaticContact CD1-CE2 3.99Å; F291-F329 HydrophobicContact CD1-CE2 3.99Å; F291-F329 HydrophobicContact CD1-CZ 4.02Å; F291-F329 AromaticContact CD2-CE2 3.69Å; F291-F329 HydrophobicContact CD2-CE2 3.69Å; F291-F329 AromaticContact CD2-CZ 3.69Å; F291-F329 HydrophobicContact CD2-CZ 3.69Å; F291-F329 HydrophobicContact CE1-CZ 4.22Å; F291-F329 HydrophobicContact CE2-CE2 4.36Å; F291-F329 AromaticContact CE2-CZ 3.88Å; F291-F329 HydrophobicContact CE2-CZ 3.88Å; F291-F329 AromaticContact CG-CE2 3.5Å; F291-F329 HydrophobicContact CG-CE2 3.5Å; F291-F329 VanDerWaalsContact CG-CE2 3.5Å; F291-F329 AromaticContact CG-CZ 3.79Å; F291-F329 HydrophobicContact CG-CZ 3.79Å; F291-F329 HydrophobicContact CZ-CZ 4.18Å
292	A	98.8	Very high	96.6	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.008	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	103.1	176.3	0	0	0	0	0	110.2	E294 F310 L326 A327 S328 F329	A292-E294 HydrophobicContact CB-CG 4.09Å; A292-E294 PolarHBondContact O-N 2.92Å; A292-F310 HydrophobicContact CB-CB 3.71Å; A292-F310 HydrophobicContact CB-CD2 3.59Å; A292-F310 HydrophobicContact CB-CE2 4.44Å; A292-F310 HydrophobicContact CB-CG 3.77Å; A292-L326 HydrophobicContact CB-CD1 3.82Å; A292-A327 PolarHBondContact N-O 3.38Å; A292-S328 CarbonylContact O-C 3.46Å; A292-S328 WeakPolarHBondContact O-CA 3.45Å; A292-F329 WeakPolarHBondContact O-CD2 3.44Å; A292-F329 PolarHBondContact O-N 2.84Å
293	D	98.7	Very high	96.2	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	98.4	176.2	-169.8	-18.4	0	0	0	109.8	I184 Y213 V260 I261 N262 V295	I184-D293 WeakPolarHBondContact CD1-OD2 3.36Å; Y213-D293 VanDerWaalsContact OH-CB 3.25Å; Y213-D293 WeakPolarHBondContact OH-CB 3.17Å; Y213-D293 PolarHBondContact OH-OD2 2.77Å; V260-D293 PolarHBondContact O-N 2.73Å; I261-D293 HydrophobicContact CB-CB 4.34Å; I261-D293 HydrophobicContact CG1-CB 4.11Å; I261-D293 HydrophobicContact CG2-CB 4.21Å; N262-D293 PolarHBondContact N-O 2.99Å; D293-V295 VanDerWaalsContact OD1-CG1 3.27Å; D293-V295 WeakPolarHBondContact OD1-CG1 3.2Å; D293-V295 WeakPolarHBondContact OD1-CG2 3.42Å
294	E	98.2	Very high	95.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.203	C	C	.	.			trans	-111.1	27.9	-169	-60.6	179.5	153.9	0	0	111.3	R163 N262 A292 Y296 Q297 F307 S309 F310 S328 F329 H330	R163-E294 IonicContact CZ-OE2 2.8Å; R163-E294 IonicContact NH1-OE2 3.04Å; R163-E294 PolarHBondContact NH1-OE2 3.12Å; R163-E294 IonicContact NH2-OE2 3.13Å; N262-E294 WeakPolarHBondContact O-CA 3.36Å; A292-E294 HydrophobicContact CB-CG 4.09Å; A292-E294 PolarHBondContact O-N 2.92Å; E294-Y296 PolarHBondContact O-N 3.23Å; E294-Y296 VanDerWaalsContact O-N 3.1Å; E294-Q297 WeakPolarHBondContact O-CB 3.39Å; E294-Q297 PolarHBondContact O-N 3.13Å; E294-F307 HydrophobicContact CB-CE2 3.97Å; E294-F307 HydrophobicContact CB-CZ 3.86Å; E294-F307 HydrophobicContact CG-CE2 4Å; E294-F307 HydrophobicContact CG-CZ 3.96Å; E294-S309 WeakPolarHBondContact OE1-CA 3.31Å; E294-F310 PolarHBondContact OE1-N 2.79Å; E294-S328 PolarHBondContact OE2-OG 3.35Å; E294-F329 CarbonylContact C-O 3.41Å; E294-F329 WeakPolarHBondContact CA-O 3.45Å; E294-F329 PolarHBondContact N-O 2.86Å; E294-H330 PolarHBondContact O-ND1 3.22Å
295	V	97.9	Very high	95.6	Very high	13 Å²	13	36.9 Å²	36.9	8%	0.079	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-19.5	-175.2	-64.1	0	0	0	0	114.1	A180 D293 H330 K334	A180-V295 HydrophobicContact CB-CG1 3.51Å; D293-V295 VanDerWaalsContact OD1-CG1 3.27Å; D293-V295 WeakPolarHBondContact OD1-CG1 3.2Å; D293-V295 WeakPolarHBondContact OD1-CG2 3.42Å; V295-H330 WeakPolarHBondContact CA-ND1 3.41Å; V295-K334 HydrophobicContact CB-CB 4.38Å; V295-K334 HydrophobicContact CB-CG 4.32Å; V295-K334 HydrophobicContact CG2-CB 4.5Å; V295-K334 HydrophobicContact CG2-CG 4.15Å; V295-K334 WeakPolarHBondContact O-CB 3.34Å
296	Y	96.7	Very high	95.5	Very high	5 Å²	5	38.6 Å²	38.6	2%	0.02	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	18.8	179.8	-63	-71.8	0	0	0	113.4	P263 N265 E294 D298 N299 K334 A447 M448 Y449	P263-Y296 WeakPolarHBondContact CG-O 3.37Å; P263-Y296 WeakPolarHBondContact O-CD2 3.43Å; N265-Y296 HydrophobicContact CB-CE2 4.02Å; E294-Y296 PolarHBondContact O-N 3.23Å; E294-Y296 VanDerWaalsContact O-N 3.1Å; Y296-D298 VanDerWaalsContact C-N 3.26Å; Y296-D298 PolarHBondContact O-N 3.02Å; Y296-D298 VanDerWaalsContact O-N 3.14Å; Y296-N299 WeakPolarHBondContact O-CA 3.48Å; Y296-N299 WeakPolarHBondContact O-CB 3.42Å; Y296-N299 PolarHBondContact O-N 3.16Å; Y296-K334 HydrophobicContact CD1-CB 3.87Å; Y296-K334 HydrophobicContact CD1-CG 4.35Å; Y296-K334 HydrophobicContact CE1-CB 3.66Å; Y296-K334 HydrophobicContact CE1-CD 3.66Å; Y296-K334 HydrophobicContact CE1-CG 3.69Å; Y296-K334 WeakPolarHBondContact OH-CD 3.39Å; Y296-K334 WeakPolarHBondContact OH-CE 3.41Å; Y296-A447 HydrophobicContact CD1-CB 3.89Å; Y296-A447 HydrophobicContact CD2-CB 3.75Å; Y296-A447 HydrophobicContact CE1-CB 4.24Å; Y296-A447 HydrophobicContact CE2-CB 4.15Å; Y296-A447 HydrophobicContact CG-CB 3.64Å; Y296-M448 HydrophobicContact CD1-CG 4.28Å; Y296-M448 HydrophobicContact CE1-CB 4.27Å; Y296-M448 HydrophobicContact CE1-CG 3.87Å; Y296-M448 HydrophobicContact CE1-SD 3.93Å; Y296-Y449 WeakPolarHBondContact OH-CE2 3.39Å
297	Q	96	Very high	95.4	Very high	13 Å²	13	38 Å²	38	6%	0.061	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30.3	-173.1	61.9	-176.4	-34.4	0	0	115.9	Y159 E294 N299 F307 H330	Y159-Q297 PolarHBondContact OH-NE2 3.38Å; E294-Q297 WeakPolarHBondContact O-CB 3.39Å; E294-Q297 PolarHBondContact O-N 3.13Å; Q297-N299 VanDerWaalsContact C-N 3.34Å; Q297-F307 HydrophobicContact CB-CD1 3.68Å; Q297-F307 HydrophobicContact CB-CD2 3.84Å; Q297-F307 HydrophobicContact CB-CE1 3.52Å; Q297-F307 HydrophobicContact CB-CE2 3.69Å; Q297-F307 HydrophobicContact CB-CG 3.83Å; Q297-F307 HydrophobicContact CB-CZ 3.52Å; Q297-H330 PolarHBondContact NE2-CD2 3.08Å; Q297-H330 PolarHBondContact NE2-CE1 3.03Å; Q297-H330 PolarHBondContact NE2-ND1 2.83Å; Q297-H330 PolarHBondContact NE2-NE2 3.33Å; Q297-H330 VanDerWaalsContact NE2-NE2 3.17Å
298	D	92.1	Very high	95.4	Very high	39 Å²	39	30.9 Å²	30.9	21%	0.209	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-12	173.9	-76.5	-83	0	0	0	113.3	Y296 V300 Y336 K415 L419	Y296-D298 VanDerWaalsContact C-N 3.26Å; Y296-D298 PolarHBondContact O-N 3.02Å; Y296-D298 VanDerWaalsContact O-N 3.14Å; D298-V300 PolarHBondContact O-N 2.9Å; D298-Y336 HydrophobicContact CB-CD1 4.09Å; D298-Y336 HydrophobicContact CB-CE1 4.35Å; D298-K415 IonicContact OD1-NZ 2.68Å; D298-K415 PolarHBondContact OD1-NZ 3.29Å; D298-L419 WeakPolarHBondContact O-CD2 3.41Å
299	N	91.8	Very high	95.4	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	16%	0.161	C	C	.	.			trans	-103.8	71.9	-172.3	-68.4	60.5	0	0	0	110.1	Y296 Q297 Y301 G335 L422 G446 A447	Y296-N299 WeakPolarHBondContact O-CA 3.48Å; Y296-N299 WeakPolarHBondContact O-CB 3.42Å; Y296-N299 PolarHBondContact O-N 3.16Å; Q297-N299 VanDerWaalsContact C-N 3.34Å; N299-Y301 HydrophobicContact CB-CE1 4.32Å; N299-Y301 PolarHBondContact ND2-OH 2.62Å; N299-G335 WeakPolarHBondContact OD1-CA 3.45Å; N299-L422 WeakPolarHBondContact ND2-CD1 3.43Å; N299-G446 CarbonylContact O-C 3.54Å; N299-G446 WeakPolarHBondContact O-CA 3.36Å; N299-A447 PolarHBondContact O-N 3.39Å
300	V	94.4	Very high	95.4	Very high	38 Å²	38	30.2 Å²	30.2	23%	0.23	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-123.3	114	172.1	-179.8	0	0	0	0	107.1	P263 V270 D298 S305 F307	P263-V300 HydrophobicContact CG-CG2 3.97Å; V270-V300 HydrophobicContact CG1-CG1 4.48Å; V270-V300 HydrophobicContact CG1-CG2 4.32Å; V270-V300 HydrophobicContact CG2-CG1 4.26Å; V270-V300 HydrophobicContact CG2-CG2 4.16Å; D298-V300 PolarHBondContact O-N 2.9Å; V300-S305 WeakPolarHBondContact CG1-O 3.46Å; V300-F307 HydrophobicContact CG2-CB 3.94Å
301	Y	89.5	Confident	95.4	Very high	15 Å²	15	30.8 Å²	30.8	6%	0.059	16%	0.162	C	C	.	.			trans	-102.6	-38.7	-172.6	-47.3	-53.7	0	0	0	111.3	N299 P303 L422 H423 A426 Q445 A447 I509	N299-Y301 HydrophobicContact CB-CE1 4.32Å; N299-Y301 PolarHBondContact ND2-OH 2.62Å; Y301-P303 WeakPolarHBondContact O-CD 3.43Å; Y301-L422 HydrophobicContact CD1-CB 4.37Å; Y301-L422 HydrophobicContact CE1-CB 3.43Å; Y301-L422 VanDerWaalsContact CE1-CB 3.43Å; Y301-L422 WeakPolarHBondContact OH-CB 3.47Å; Y301-H423 HydrophobicContact CD1-CB 3.98Å; Y301-H423 HydrophobicContact CG-CB 4.36Å; Y301-H423 PolarHBondContact O-CD2 3.1Å; Y301-A426 HydrophobicContact CD2-CB 3.5Å; Y301-A426 VanDerWaalsContact CD2-CB 3.5Å; Y301-A426 HydrophobicContact CE2-CB 4.02Å; Y301-A426 HydrophobicContact CG-CB 4.08Å; Y301-Q445 PolarHBondContact N-O 3.24Å; Y301-A447 VanDerWaalsContact CE2-O 3.3Å; Y301-A447 WeakPolarHBondContact CE2-O 3.49Å; Y301-A447 PolarHBondContact OH-O 2.94Å; Y301-I509 HydrophobicContact CE2-CD1 3.67Å
302	D	89.6	Confident	95.4	Very high	14 Å²	14	33.2 Å²	33.2	8%	0.075	17%	0.173	C	C	.	.			trans	-64.1	120.8	-178.2	172.7	42.2	0	0	0	110.2	N304 S305 K443 Q445	D302-N304 PolarHBondContact O-N 2.96Å; D302-N304 VanDerWaalsContact O-N 3.1Å; D302-S305 WeakPolarHBondContact O-CA 3.41Å; D302-S305 WeakPolarHBondContact O-CB 3.39Å; D302-S305 PolarHBondContact O-N 2.85Å; D302-S305 PolarHBondContact OD2-N 2.86Å; D302-S305 PolarHBondContact OD2-OG 3.41Å; D302-K443 IonicContact OD1-NZ 2.7Å; D302-K443 PolarHBondContact OD1-NZ 3.39Å; D302-Q445 HydrophobicContact CB-CB 3.97Å; D302-Q445 HydrophobicContact CB-CG 4.05Å; D302-Q445 PolarHBondContact N-O 2.86Å; D302-Q445 VanDerWaalsContact N-O 3.15Å
303	P	89.4	Confident	95.4	Very high	105 Å²	105	33.1 Å²	33.1	68%	0.682	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.7	-177.4	24.8	-35.5	0	0	0	113.3	Y301	Y301-P303 WeakPolarHBondContact O-CD 3.43Å
304	N	92	Very high	95.4	Very high	147 Å²	147	33.2 Å²	33.2	79%	0.786	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-0.5	174.5	-59.7	-44.6	0	0	0	113.2	D302	D302-N304 PolarHBondContact O-N 2.96Å; D302-N304 VanDerWaalsContact O-N 3.1Å
305	S	94.6	Very high	95.4	Very high	22 Å²	22	38 Å²	38	15%	0.154	20%	0.195	C	C	.	.			trans	-108.5	148.1	178.5	-67.5	0	0	0	0	110.4	V300 D302 Q445	V300-S305 WeakPolarHBondContact CG1-O 3.46Å; D302-S305 WeakPolarHBondContact O-CA 3.41Å; D302-S305 WeakPolarHBondContact O-CB 3.39Å; D302-S305 PolarHBondContact O-N 2.85Å; D302-S305 PolarHBondContact OD2-N 2.86Å; D302-S305 PolarHBondContact OD2-OG 3.41Å; S305-Q445 PolarHBondContact OG-NE2 3.09Å; S305-Q445 VanDerWaalsContact OG-NE2 3.09Å
306	K	94.8	Very high	95.4	Very high	143 Å²	143	42 Å²	42	62%	0.622	21%	0.212	S	C	*	.			trans	-141.9	136.8	176.4	-177.4	172.5	-179.3	173	0	109.4	H308	K306-H308 PolarHBondContact O-CD2 3.36Å; K306-H308 PolarHBondContact O-N 3.32Å
307	F	97	Very high	95.5	Very high	33 Å²	33	43.5 Å²	43.5	15%	0.145	22%	0.22	C	C	.	.			trans	-69.3	130.1	170.4	175.3	-103.9	0	0	0	110.3	E294 Q297 V300	E294-F307 HydrophobicContact CB-CE2 3.97Å; E294-F307 HydrophobicContact CB-CZ 3.86Å; E294-F307 HydrophobicContact CG-CE2 4Å; E294-F307 HydrophobicContact CG-CZ 3.96Å; Q297-F307 HydrophobicContact CB-CD1 3.68Å; Q297-F307 HydrophobicContact CB-CD2 3.84Å; Q297-F307 HydrophobicContact CB-CE1 3.52Å; Q297-F307 HydrophobicContact CB-CE2 3.69Å; Q297-F307 HydrophobicContact CB-CG 3.83Å; Q297-F307 HydrophobicContact CB-CZ 3.52Å; V300-F307 HydrophobicContact CG2-CB 3.94Å
308	H	97.8	Very high	95.6	Very high	38 Å²	38	43.8 Å²	43.8	18%	0.176	23%	0.227	C	C	.	.			trans	-126.8	122.1	171.2	-66.3	-85.8	0	0	0	107.2	I276 K306 V313	I276-H308 HydrophobicContact CD1-CB 3.7Å; I276-H308 VanDerWaalsContact CD1-O 3.31Å; I276-H308 WeakPolarHBondContact CD1-O 3.29Å; K306-H308 PolarHBondContact O-CD2 3.36Å; K306-H308 PolarHBondContact O-N 3.32Å; H308-V313 HydrophobicContact CB-CG2 4.01Å
309	S	98.5	Very high	95.9	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	25%	0.245	C	C	.	.			trans	-72.5	142.5	176	68	0	0	0	0	110.4	R163 D164 E294 K311 K312 V313	R163-S309 VanDerWaalsContact CZ-CB 3.49Å; R163-S309 VanDerWaalsContact NH2-CB 3.27Å; R163-S309 PolarHBondContact NH2-OG 3.05Å; D164-S309 VanDerWaalsContact CG-OG 3.26Å; D164-S309 PolarHBondContact OD1-OG 3.29Å; D164-S309 PolarHBondContact OD2-OG 2.93Å; E294-S309 WeakPolarHBondContact OE1-CA 3.31Å; S309-K311 VanDerWaalsContact C-N 3.27Å; S309-K311 PolarHBondContact O-N 3.03Å; S309-K312 PolarHBondContact O-N 3.38Å; S309-K312 WeakPolarHBondContact OG-CB 3.31Å; S309-K312 PolarHBondContact OG-N 3.42Å; S309-V313 WeakPolarHBondContact O-CG2 3.44Å; S309-V313 PolarHBondContact O-N 2.92Å; S309-V313 VanDerWaalsContact O-N 3.09Å
310	F	98.7	Very high	96.2	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-58.5	-41.8	176	-91.9	-91.9	0	0	0	111.4	V260 N262 L271 I276 V279 V280 L290 A292 E294 K312 V313 M314 L326	V260-F310 HydrophobicContact CB-CE2 4.1Å; V260-F310 HydrophobicContact CB-CZ 3.96Å; V260-F310 HydrophobicContact CG1-CE2 3.8Å; V260-F310 HydrophobicContact CG1-CZ 3.72Å; V260-F310 HydrophobicContact CG2-CZ 4.1Å; N262-F310 HydrophobicContact CB-CE2 4.48Å; L271-F310 HydrophobicContact CD1-CE2 4.43Å; L271-F310 HydrophobicContact CD1-CZ 4.3Å; I276-F310 HydrophobicContact CB-CE1 4.45Å; I276-F310 HydrophobicContact CB-CZ 4.47Å; I276-F310 HydrophobicContact CG1-CE2 4.22Å; I276-F310 HydrophobicContact CG1-CZ 4.13Å; I276-F310 HydrophobicContact CG2-CD1 3.62Å; I276-F310 HydrophobicContact CG2-CD2 4.38Å; I276-F310 HydrophobicContact CG2-CE1 3.62Å; I276-F310 HydrophobicContact CG2-CE2 4.35Å; I276-F310 HydrophobicContact CG2-CG 4.04Å; I276-F310 HydrophobicContact CG2-CZ 3.99Å; V279-F310 HydrophobicContact CB-CE1 4.19Å; V279-F310 HydrophobicContact CG1-CE1 3.74Å; V279-F310 HydrophobicContact CG1-CZ 4.11Å; V280-F310 HydrophobicContact CG2-CD1 4.06Å; V280-F310 HydrophobicContact CG2-CE1 4.31Å; L290-F310 HydrophobicContact CD1-CE1 4.49Å; L290-F310 HydrophobicContact CD2-CD1 3.37Å; L290-F310 HydrophobicContact CD2-CE1 3.76Å; L290-F310 HydrophobicContact CD2-CG 4.26Å; L290-F310 HydrophobicContact CG-CD1 4.29Å; A292-F310 HydrophobicContact CB-CB 3.71Å; A292-F310 HydrophobicContact CB-CD2 3.59Å; A292-F310 HydrophobicContact CB-CE2 4.44Å; A292-F310 HydrophobicContact CB-CG 3.77Å; E294-F310 PolarHBondContact OE1-N 2.79Å; F310-K312 PolarHBondContact O-N 3.44Å; F310-V313 PolarHBondContact O-N 2.91Å; F310-M314 WeakPolarHBondContact O-CB 3.37Å; F310-M314 WeakPolarHBondContact O-CG 2.89Å; F310-M314 PolarHBondContact O-N 3.11Å; F310-L326 HydrophobicContact CB-CD1 4.09Å; F310-L326 HydrophobicContact CB-CD2 4.25Å
311	K	98.5	Very high	96.4	Very high	13 Å²	13	49 Å²	49	6%	0.057	26%	0.257	C	S	.	.	H	α-helix	trans	-56	-50.1	176.9	178.3	179.3	172.9	-168.8	0	111.8	I160 A168 S309 V313 M314 H315 L326 E348 V350	I160-K311 HydrophobicContact CG2-CD 4.18Å; A168-K311 WeakPolarHBondContact O-CE 3.2Å; A168-K311 PolarHBondContact O-NZ 3.47Å; S309-K311 VanDerWaalsContact C-N 3.27Å; S309-K311 PolarHBondContact O-N 3.03Å; K311-V313 PolarHBondContact O-N 3.3Å; K311-M314 PolarHBondContact O-N 2.79Å; K311-H315 WeakPolarHBondContact O-CB 2.94Å; K311-H315 PolarHBondContact O-N 3.25Å; K311-L326 HydrophobicContact CB-CD2 3.71Å; K311-E348 WeakPolarHBondContact CD-OE2 3.4Å; K311-E348 VanDerWaalsContact NZ-CD 3.3Å; K311-E348 IonicContact NZ-OE1 3.52Å; K311-E348 PolarHBondContact NZ-OE1 2.72Å; K311-E348 IonicContact NZ-OE2 3.54Å; K311-E348 PolarHBondContact NZ-OE2 3.01Å; K311-V350 HydrophobicContact CD-CG2 4.06Å; K311-V350 HydrophobicContact CG-CG2 4.39Å
312	K	98.5	Very high	96.8	Very high	50 Å²	50	49.5 Å²	49.5	22%	0.217	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-48.7	179.3	178.1	177.6	-176.5	169.5	0	111.1	D164 I167 S309 F310 H315 E316	D164-K312 HydrophobicContact CB-CB 4.09Å; I167-K312 HydrophobicContact CD1-CB 4.24Å; I167-K312 HydrophobicContact CD1-CG 3.97Å; S309-K312 PolarHBondContact O-N 3.38Å; S309-K312 WeakPolarHBondContact OG-CB 3.31Å; S309-K312 PolarHBondContact OG-N 3.42Å; F310-K312 PolarHBondContact O-N 3.44Å; K312-H315 PolarHBondContact O-N 2.9Å; K312-E316 WeakPolarHBondContact CE-OE1 3.39Å; K312-E316 HydrophobicContact CG-CG 4.37Å; K312-E316 IonicContact NZ-OE1 3.94Å; K312-E316 WeakPolarHBondContact O-CB 3.26Å; K312-E316 WeakPolarHBondContact O-CG 3.29Å; K312-E316 PolarHBondContact O-N 3.04Å
313	V	98.8	Very high	97.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.6	-48.5	-178.6	178	0	0	0	0	110.8	R273 I276 E277 H308 S309 F310 K311 H315 E316 M317	R273-V313 HydrophobicContact CG-CG2 4.29Å; I276-V313 HydrophobicContact CB-CG1 4.23Å; I276-V313 HydrophobicContact CB-CG2 4.3Å; I276-V313 HydrophobicContact CD1-CG2 4.35Å; I276-V313 HydrophobicContact CG2-CB 3.68Å; I276-V313 HydrophobicContact CG2-CG1 3.65Å; I276-V313 HydrophobicContact CG2-CG2 3.8Å; E277-V313 HydrophobicContact CB-CG1 4.49Å; E277-V313 HydrophobicContact CG-CG1 3.53Å; H308-V313 HydrophobicContact CB-CG2 4.01Å; S309-V313 WeakPolarHBondContact O-CG2 3.44Å; S309-V313 PolarHBondContact O-N 2.92Å; S309-V313 VanDerWaalsContact O-N 3.09Å; F310-V313 PolarHBondContact O-N 2.91Å; K311-V313 PolarHBondContact O-N 3.3Å; V313-H315 VanDerWaalsContact C-N 3.35Å; V313-H315 PolarHBondContact O-N 3Å; V313-E316 PolarHBondContact O-N 2.77Å; V313-M317 HydrophobicContact CG1-CG 4.35Å; V313-M317 HydrophobicContact CG1-SD 3.87Å; V313-M317 WeakPolarHBondContact O-CG 3.35Å; V313-M317 PolarHBondContact O-N 2.89Å
314	M	98.4	Very high	97.6	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.03	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-44	177.7	-71.3	170.3	68.7	0	0	112.6	V280 L290 F310 K311 S322 M324 L326	V280-M314 HydrophobicContact CB-CG 4.32Å; V280-M314 HydrophobicContact CG1-CG 3.81Å; V280-M314 HydrophobicContact CG2-CG 3.45Å; V280-M314 VanDerWaalsContact CG2-CG 3.45Å; V280-M314 HydrophobicContact CG2-SD 4.32Å; L290-M314 HydrophobicContact CD2-SD 3.98Å; F310-M314 WeakPolarHBondContact O-CB 3.37Å; F310-M314 WeakPolarHBondContact O-CG 2.89Å; F310-M314 PolarHBondContact O-N 3.11Å; K311-M314 PolarHBondContact O-N 2.79Å; M314-S322 WeakPolarHBondContact O-CA 3.4Å; M314-S322 PolarHBondContact O-N 2.8Å; M314-M324 HydrophobicContact CE-CB 3.36Å; M314-M324 HydrophobicContact CE-CG 4.41Å; M314-M324 HydrophobicContact CE-SD 4.3Å; M314-L326 HydrophobicContact CE-CB 4.03Å; M314-L326 HydrophobicContact SD-CB 3.98Å; M314-L326 HydrophobicContact SD-CD1 4.25Å; M314-L326 HydrophobicContact SD-CD2 3.77Å; M314-L326 HydrophobicContact SD-CG 4.21Å
315	H	98.3	Very high	97.9	Very high	101 Å²	101	47.1 Å²	47.1	47%	0.468	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-47.1	178.3	-179.7	-82.4	0	0	0	111.8	I167 K311 K312 V313 M317 G318	I167-H315 HydrophobicContact CD1-CB 3.83Å; I167-H315 HydrophobicContact CG2-CB 4.27Å; K311-H315 WeakPolarHBondContact O-CB 2.94Å; K311-H315 PolarHBondContact O-N 3.25Å; K312-H315 PolarHBondContact O-N 2.9Å; V313-H315 VanDerWaalsContact C-N 3.35Å; V313-H315 PolarHBondContact O-N 3Å; H315-M317 VanDerWaalsContact C-N 3.26Å; H315-M317 PolarHBondContact O-N 2.99Å; H315-G318 PolarHBondContact O-N 3.46Å
316	E	98.5	Very high	98.1	Very high	96 Å²	96	46.1 Å²	46.1	45%	0.449	23%	0.23	S	C	.	.	H	α-helix	trans	-67.1	-24.9	-179.9	-72.3	174.8	162.3	0	0	113.2	I167 R273 K312 V313 G318	I167-E316 HydrophobicContact CD1-CG 4.48Å; R273-E316 IonicContact CZ-OE2 3.65Å; R273-E316 IonicContact NH1-OE2 3.48Å; R273-E316 PolarHBondContact NH1-OE2 2.84Å; R273-E316 IonicContact NH2-OE2 2.7Å; K312-E316 WeakPolarHBondContact CE-OE1 3.39Å; K312-E316 HydrophobicContact CG-CG 4.37Å; K312-E316 IonicContact NZ-OE1 3.94Å; K312-E316 WeakPolarHBondContact O-CB 3.26Å; K312-E316 WeakPolarHBondContact O-CG 3.29Å; K312-E316 PolarHBondContact O-N 3.04Å; V313-E316 PolarHBondContact O-N 2.77Å; E316-G318 PolarHBondContact O-N 2.86Å
317	M	98.6	Very high	98.3	Very high	37 Å²	37	39.3 Å²	39.3	18%	0.182	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.4	171.7	-72.3	169.5	75.8	0	0	113.2	E277 V280 K281 V313 H315 Y321	E277-M317 HydrophobicContact CB-CE 4Å; E277-M317 HydrophobicContact CB-SD 3.92Å; E277-M317 HydrophobicContact CG-CE 4.34Å; E277-M317 HydrophobicContact CG-CG 4.05Å; E277-M317 HydrophobicContact CG-SD 3.73Å; V280-M317 HydrophobicContact CB-CE 4.22Å; V280-M317 HydrophobicContact CB-SD 4Å; V280-M317 HydrophobicContact CG1-CE 3.94Å; V280-M317 HydrophobicContact CG1-SD 3.79Å; V280-M317 HydrophobicContact CG2-SD 4.48Å; K281-M317 HydrophobicContact CG-CE 3.95Å; V313-M317 HydrophobicContact CG1-CG 4.35Å; V313-M317 HydrophobicContact CG1-SD 3.87Å; V313-M317 WeakPolarHBondContact O-CG 3.35Å; V313-M317 PolarHBondContact O-N 2.89Å; H315-M317 VanDerWaalsContact C-N 3.26Å; H315-M317 PolarHBondContact O-N 2.99Å; M317-Y321 HydrophobicContact CB-CD2 3.92Å; M317-Y321 HydrophobicContact CB-CG 4.33Å; M317-Y321 HydrophobicContact CE-CD1 4.14Å; M317-Y321 HydrophobicContact CE-CD2 3.69Å; M317-Y321 HydrophobicContact CE-CE1 4.45Å; M317-Y321 HydrophobicContact CE-CE2 3.99Å; M317-Y321 HydrophobicContact CE-CG 3.74Å
318	G	98.3	Very high	98.4	Very high	19 Å²	19	37.7 Å²	37.7	20%	0.196	19%	0.194	C	C	.	.			trans	68	-175.2	-177.7	0	0	0	0	0	114	H315 E316 Y321 S322	H315-G318 PolarHBondContact O-N 3.46Å; E316-G318 PolarHBondContact O-N 2.86Å; G318-Y321 WeakPolarHBondContact O-CB 3.39Å; G318-Y321 PolarHBondContact O-N 2.95Å; G318-S322 PolarHBondContact O-N 2.49Å; G318-S322 PolarHBondContact O-OG 3.32Å
319	P	98	Very high	98.4	Very high	92 Å²	92	35.9 Å²	35.9	60%	0.597	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	145.3	176.7	-24	35.4	0	0	0	112.3	S322	P319-S322 WeakPolarHBondContact CD-OG 3.47Å
320	P	98	Very high	98.4	Very high	46 Å²	46	35.8 Å²	35.8	30%	0.299	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	cis	-84.3	-9.4	5.4	36	-37.6	0	0	0	114	Y284 S322 H323	Y284-P320 HydrophobicContact CD1-CG 4.13Å; Y284-P320 HydrophobicContact CD2-CB 4.34Å; Y284-P320 HydrophobicContact CD2-CG 4.34Å; Y284-P320 HydrophobicContact CE1-CB 4.12Å; Y284-P320 HydrophobicContact CE1-CG 3.52Å; Y284-P320 HydrophobicContact CE2-CB 3.51Å; Y284-P320 HydrophobicContact CE2-CG 3.78Å; Y284-P320 HydrophobicContact CG-CG 4.5Å; Y284-P320 VanDerWaalsContact OH-CB 3.26Å; Y284-P320 WeakPolarHBondContact OH-CB 3.31Å; Y284-P320 WeakPolarHBondContact OH-CG 3.44Å; P320-S322 PolarHBondContact O-N 3.48Å; P320-H323 PolarHBondContact O-N 2.96Å
321	Y	98.6	Very high	98.4	Very high	50 Å²	50	36 Å²	36	20%	0.196	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-65.8	-37.6	-172.1	-48.7	-66.5	0	0	0	113.8	V280 K281 Y284 M317 G318 H323 M324	V280-Y321 HydrophobicContact CG1-CD1 3.99Å; V280-Y321 HydrophobicContact CG1-CG 4.14Å; K281-Y321 HydrophobicContact CB-CE1 4.28Å; K281-Y321 HydrophobicContact CG-CD1 4.46Å; K281-Y321 HydrophobicContact CG-CE1 3.68Å; Y284-Y321 HydrophobicContact CD1-CD1 4.43Å; Y284-Y321 HydrophobicContact CD1-CE1 4.02Å; Y284-Y321 HydrophobicContact CG-CD1 4.09Å; Y284-Y321 HydrophobicContact CG-CE1 4.12Å; M317-Y321 HydrophobicContact CB-CD2 3.92Å; M317-Y321 HydrophobicContact CB-CG 4.33Å; M317-Y321 HydrophobicContact CE-CD1 4.14Å; M317-Y321 HydrophobicContact CE-CD2 3.69Å; M317-Y321 HydrophobicContact CE-CE1 4.45Å; M317-Y321 HydrophobicContact CE-CE2 3.99Å; M317-Y321 HydrophobicContact CE-CG 3.74Å; G318-Y321 WeakPolarHBondContact O-CB 3.39Å; G318-Y321 PolarHBondContact O-N 2.95Å; Y321-H323 PolarHBondContact O-N 2.83Å; Y321-H323 VanDerWaalsContact O-N 3.1Å; Y321-M324 HydrophobicContact CD1-SD 4.43Å; Y321-M324 WeakPolarHBondContact O-CB 3.23Å; Y321-M324 WeakPolarHBondContact O-CG 3.14Å; Y321-M324 PolarHBondContact O-N 3.04Å; Y321-M324 VanDerWaalsContact O-N 3.08Å
322	S	98.1	Very high	98.3	Very high	25 Å²	25	35.3 Å²	35.3	18%	0.175	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-62.9	-13.9	177.1	63.9	0	0	0	0	114.5	M314 G318 P319 P320 N351	M314-S322 WeakPolarHBondContact O-CA 3.4Å; M314-S322 PolarHBondContact O-N 2.8Å; G318-S322 PolarHBondContact O-N 2.49Å; G318-S322 PolarHBondContact O-OG 3.32Å; P319-S322 WeakPolarHBondContact CD-OG 3.47Å; P320-S322 PolarHBondContact O-N 3.48Å; S322-N351 PolarHBondContact O-ND2 3.15Å
323	H	97.5	Very high	98.3	Very high	127 Å²	127	33.4 Å²	33.4	59%	0.588	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-97.9	-2.1	176.9	-61.4	-49	0	0	0	114	P320 Y321 N351	P320-H323 PolarHBondContact O-N 2.96Å; Y321-H323 PolarHBondContact O-N 2.83Å; Y321-H323 VanDerWaalsContact O-N 3.1Å; H323-N351 VanDerWaalsContact C-ND2 3.31Å; H323-N351 WeakPolarHBondContact CA-ND2 3.32Å
324	M	98	Very high	98	Very high	15 Å²	15	34.9 Å²	34.9	7%	0.074	18%	0.182	C	C	.	.	S	Bend	trans	-68.6	149.6	178.2	-74	174.8	69.6	0	0	112.2	V280 A283 Y284 M314 Y321 N351	V280-M324 HydrophobicContact CG1-SD 3.76Å; A283-M324 HydrophobicContact CB-CE 3.6Å; Y284-M324 VanDerWaalsContact CB-SD 3.53Å; Y284-M324 HydrophobicContact CD2-CG 3.78Å; Y284-M324 HydrophobicContact CD2-SD 4.12Å; Y284-M324 HydrophobicContact CG-SD 4.28Å; Y284-M324 VanDerWaalsContact N-CE 3.28Å; M314-M324 HydrophobicContact CE-CB 3.36Å; M314-M324 HydrophobicContact CE-CG 4.41Å; M314-M324 HydrophobicContact CE-SD 4.3Å; Y321-M324 HydrophobicContact CD1-SD 4.43Å; Y321-M324 WeakPolarHBondContact O-CB 3.23Å; Y321-M324 WeakPolarHBondContact O-CG 3.14Å; Y321-M324 PolarHBondContact O-N 3.04Å; Y321-M324 VanDerWaalsContact O-N 3.08Å; M324-N351 WeakPolarHBondContact O-CB 3.4Å; M324-N351 PolarHBondContact O-ND2 2.85Å
325	E	98.4	Very high	97.5	Very high	74 Å²	74	34.6 Å²	34.6	35%	0.346	18%	0.181	S	C	.	.			trans	-78.4	130.6	176.8	-53.8	-179.5	106.6	0	0	111.5	F289 L290 V350 M352 H353	F289-E325 HydrophobicContact CD2-CB 3.41Å; F289-E325 VanDerWaalsContact CD2-CB 3.41Å; F289-E325 HydrophobicContact CD2-CG 4.27Å; F289-E325 HydrophobicContact CE2-CB 3.34Å; F289-E325 HydrophobicContact CE2-CG 4.2Å; F289-E325 HydrophobicContact CG-CB 4.14Å; F289-E325 HydrophobicContact CZ-CB 3.97Å; L290-E325 PolarHBondContact N-O 3.27Å; L290-E325 VanDerWaalsContact N-O 3.14Å; E325-V350 WeakPolarHBondContact CA-O 3.25Å; E325-M352 WeakPolarHBondContact OE1-CA 3.5Å; E325-H353 PolarHBondContact OE1-N 3.42Å
326	L	98.8	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	144.2	-178	167	74.5	0	0	0	110.2	L290 A292 F310 K311 M314 V350	L290-L326 HydrophobicContact CB-CD1 3.99Å; L290-L326 HydrophobicContact CD2-CD1 4.12Å; L290-L326 HydrophobicContact CG-CD1 3.92Å; L290-L326 CarbonylContact O-C 3.36Å; L290-L326 WeakPolarHBondContact O-CA 3.23Å; A292-L326 HydrophobicContact CB-CD1 3.82Å; F310-L326 HydrophobicContact CB-CD1 4.09Å; F310-L326 HydrophobicContact CB-CD2 4.25Å; K311-L326 HydrophobicContact CB-CD2 3.71Å; M314-L326 HydrophobicContact CE-CB 4.03Å; M314-L326 HydrophobicContact SD-CB 3.98Å; M314-L326 HydrophobicContact SD-CD1 4.25Å; M314-L326 HydrophobicContact SD-CD2 3.77Å; M314-L326 HydrophobicContact SD-CG 4.21Å; L326-V350 HydrophobicContact CB-CB 4.21Å; L326-V350 HydrophobicContact CD2-CG2 4.43Å; L326-V350 PolarHBondContact N-O 3.02Å; L326-V350 PolarHBondContact O-N 3.34Å
327	A	98.8	Very high	96.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	118.8	158.3	0	0	0	0	0	109.1	L187 F289 L290 F291 A292 F329 E348	L187-A327 HydrophobicContact CD1-CB 3.87Å; F289-A327 HydrophobicContact CE1-CB 3.93Å; F289-A327 HydrophobicContact CZ-CB 4.48Å; L290-A327 PolarHBondContact O-N 3.14Å; F291-A327 WeakPolarHBondContact CA-O 3.22Å; F291-A327 HydrophobicContact CD1-CB 3.76Å; F291-A327 HydrophobicContact CE1-CB 3.88Å; A292-A327 PolarHBondContact N-O 3.38Å; A327-F329 HydrophobicContact CB-CE1 4.41Å; A327-F329 HydrophobicContact CB-CE2 3.95Å; A327-F329 HydrophobicContact CB-CZ 3.67Å; A327-F329 VanDerWaalsContact O-CE2 3.29Å; A327-F329 WeakPolarHBondContact O-CE2 3.27Å; A327-E348 WeakPolarHBondContact CA-O 3.29Å
328	S	98.8	Very high	96.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	135.7	173.4	166.9	0	0	0	0	109.7	A292 E294 A347 E348	A292-S328 CarbonylContact O-C 3.46Å; A292-S328 WeakPolarHBondContact O-CA 3.45Å; E294-S328 PolarHBondContact OE2-OG 3.35Å; S328-A347 CarbonylContact O-C 3.52Å; S328-A347 VanDerWaalsContact O-CA 3.25Å; S328-A347 WeakPolarHBondContact O-CA 3.34Å; S328-E348 PolarHBondContact N-O 3.26Å; S328-E348 PolarHBondContact O-N 3.02Å
329	F	98.8	Very high	96.5	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	137.2	-175	-53.5	-86.4	0	0	0	111.7	A180 A183 I184 L187 F291 A292 E294 A327 A347	A180-F329 HydrophobicContact CB-CB 4.12Å; A183-F329 HydrophobicContact CB-CD1 3.8Å; A183-F329 HydrophobicContact CB-CE1 3.92Å; I184-F329 HydrophobicContact CB-CE1 4.29Å; I184-F329 HydrophobicContact CB-CZ 4.5Å; I184-F329 HydrophobicContact CD1-CD2 4.5Å; I184-F329 HydrophobicContact CD1-CG 4.29Å; I184-F329 HydrophobicContact CG1-CB 4.46Å; I184-F329 HydrophobicContact CG1-CD1 3.58Å; I184-F329 HydrophobicContact CG1-CD2 3.88Å; I184-F329 HydrophobicContact CG1-CE1 3.64Å; I184-F329 HydrophobicContact CG1-CE2 3.98Å; I184-F329 HydrophobicContact CG1-CG 3.7Å; I184-F329 HydrophobicContact CG1-CZ 3.86Å; L187-F329 HydrophobicContact CD1-CE1 3.68Å; L187-F329 HydrophobicContact CD1-CZ 3.89Å; F291-F329 HydrophobicContact CB-CE2 3.71Å; F291-F329 HydrophobicContact CB-CZ 4.48Å; F291-F329 AromaticContact CD1-CE2 3.99Å; F291-F329 HydrophobicContact CD1-CE2 3.99Å; F291-F329 HydrophobicContact CD1-CZ 4.02Å; F291-F329 AromaticContact CD2-CE2 3.69Å; F291-F329 HydrophobicContact CD2-CE2 3.69Å; F291-F329 AromaticContact CD2-CZ 3.69Å; F291-F329 HydrophobicContact CD2-CZ 3.69Å; F291-F329 HydrophobicContact CE1-CZ 4.22Å; F291-F329 HydrophobicContact CE2-CE2 4.36Å; F291-F329 AromaticContact CE2-CZ 3.88Å; F291-F329 HydrophobicContact CE2-CZ 3.88Å; F291-F329 AromaticContact CG-CE2 3.5Å; F291-F329 HydrophobicContact CG-CE2 3.5Å; F291-F329 VanDerWaalsContact CG-CE2 3.5Å; F291-F329 AromaticContact CG-CZ 3.79Å; F291-F329 HydrophobicContact CG-CZ 3.79Å; F291-F329 HydrophobicContact CZ-CZ 4.18Å; A292-F329 WeakPolarHBondContact O-CD2 3.44Å; A292-F329 PolarHBondContact O-N 2.84Å; E294-F329 CarbonylContact C-O 3.41Å; E294-F329 WeakPolarHBondContact CA-O 3.45Å; E294-F329 PolarHBondContact N-O 2.86Å; A327-F329 HydrophobicContact CB-CE1 4.41Å; A327-F329 HydrophobicContact CB-CE2 3.95Å; A327-F329 HydrophobicContact CB-CZ 3.67Å; A327-F329 VanDerWaalsContact O-CE2 3.29Å; A327-F329 WeakPolarHBondContact O-CE2 3.27Å; F329-A347 HydrophobicContact CD1-CB 3.73Å; F329-A347 HydrophobicContact CE1-CB 3.85Å
330	H	98.4	Very high	96.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	166.1	170.7	-166.5	49.3	0	0	0	112.2	E294 V295 Q297 M337 G345 Y346	E294-H330 PolarHBondContact O-ND1 3.22Å; V295-H330 WeakPolarHBondContact CA-ND1 3.41Å; Q297-H330 PolarHBondContact NE2-CD2 3.08Å; Q297-H330 PolarHBondContact NE2-CE1 3.03Å; Q297-H330 PolarHBondContact NE2-ND1 2.83Å; Q297-H330 PolarHBondContact NE2-NE2 3.33Å; Q297-H330 VanDerWaalsContact NE2-NE2 3.17Å; H330-M337 WeakPolarHBondContact NE2-CE 3.5Å; H330-G345 WeakPolarHBondContact O-CA 3.48Å; H330-Y346 HydrophobicContact CB-CD1 4.17Å; H330-Y346 HydrophobicContact CB-CE1 3.58Å; H330-Y346 HydrophobicContact CB-CE2 4.02Å; H330-Y346 VanDerWaalsContact CB-CZ 3.47Å; H330-Y346 AromaticContact CD2-CE1 3.86Å; H330-Y346 PolarHBondContact N-O 3.19Å; H330-Y346 PolarHBondContact O-N 3.27Å
331	S	98.3	Very high	96.3	Very high	4 Å²	4	20.6 Å²	20.6	3%	0.028	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	137.1	-171.4	-173	0	0	0	0	111.8	S333 G344	S331-S333 PolarHBondContact O-N 2.82Å; S331-S333 VanDerWaalsContact O-N 3.17Å; S331-S333 WeakPolarHBondContact OG-CB 3.35Å; S331-S333 PolarHBondContact OG-N 3.21Å; S331-S333 VanDerWaalsContact OG-N 3.13Å; S331-S333 PolarHBondContact OG-OG 3.1Å; S331-G344 WeakPolarHBondContact CA-O 3.17Å; S331-G344 PolarHBondContact OG-O 3.44Å
332	A	97.6	Very high	96.2	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-7.8	168	0	0	0	0	0	112.6	K334 M337 E339 G344 M378 V381	A332-K334 PolarHBondContact O-N 3.46Å; A332-M337 WeakPolarHBondContact O-CB 3.42Å; A332-E339 HydrophobicContact CB-CB 4.41Å; A332-E339 PolarHBondContact O-N 3.04Å; A332-G344 PolarHBondContact N-O 3.35Å; A332-M378 HydrophobicContact CB-SD 4.2Å; A332-V381 HydrophobicContact CB-CG2 4.01Å
333	S	96.8	Very high	96.2	Very high	10 Å²	10	23 Å²	23	7%	0.07	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.7	-177.6	-59	0	0	0	0	114.3	S331	S331-S333 PolarHBondContact O-N 2.82Å; S331-S333 VanDerWaalsContact O-N 3.17Å; S331-S333 WeakPolarHBondContact OG-CB 3.35Å; S331-S333 PolarHBondContact OG-N 3.21Å; S331-S333 VanDerWaalsContact OG-N 3.13Å; S331-S333 PolarHBondContact OG-OG 3.1Å
334	K	93.2	Very high	96.2	Very high	31 Å²	31	17 Å²	17	14%	0.135	10%	0.097	C	C	.	.	S	Bend	trans	-127.8	158.5	-169.4	-58.6	-58.9	172.7	175.3	0	109.2	G89 V295 Y296 A332 M337 M448 Y449	G89-K334 PolarHBondContact O-NZ 2.91Å; V295-K334 HydrophobicContact CB-CB 4.38Å; V295-K334 HydrophobicContact CB-CG 4.32Å; V295-K334 HydrophobicContact CG2-CB 4.5Å; V295-K334 HydrophobicContact CG2-CG 4.15Å; V295-K334 WeakPolarHBondContact O-CB 3.34Å; Y296-K334 HydrophobicContact CD1-CB 3.87Å; Y296-K334 HydrophobicContact CD1-CG 4.35Å; Y296-K334 HydrophobicContact CE1-CB 3.66Å; Y296-K334 HydrophobicContact CE1-CD 3.66Å; Y296-K334 HydrophobicContact CE1-CG 3.69Å; Y296-K334 WeakPolarHBondContact OH-CD 3.39Å; Y296-K334 WeakPolarHBondContact OH-CE 3.41Å; A332-K334 PolarHBondContact O-N 3.46Å; K334-M337 WeakPolarHBondContact O-CE 3.35Å; K334-M448 HydrophobicContact CD-SD 4.18Å; K334-Y449 PolarHBondContact NZ-OH 2.81Å
335	G	87.1	Confident	96.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.095	C	C	.	.	S	Bend	trans	83.8	-156.4	-174.8	0	0	0	0	0	116.7	N299 M337 G338 M448	N299-G335 WeakPolarHBondContact OD1-CA 3.45Å; G335-M337 PolarHBondContact O-N 2.9Å; G335-G338 PolarHBondContact O-N 3.44Å; G335-M448 WeakPolarHBondContact O-CE 3.46Å
336	Y	89.8	Confident	96.2	Very high	3 Å²	3	12.9 Å²	12.9	1%	0.012	8%	0.078	C	C	.	.	S	Bend	trans	-62.6	-23.3	-177	73.4	-89.3	0	0	0	112.2	Q96 I99 D298 F395 K415	Q96-Y336 PolarHBondContact NE2-O 3.34Å; I99-Y336 HydrophobicContact CD1-CD2 3.98Å; I99-Y336 HydrophobicContact CG1-CD2 4.01Å; I99-Y336 HydrophobicContact CG1-CE2 4.35Å; D298-Y336 HydrophobicContact CB-CD1 4.09Å; D298-Y336 HydrophobicContact CB-CE1 4.35Å; Y336-F395 AromaticContact CE2-CE2 3.76Å; Y336-F395 HydrophobicContact CE2-CE2 3.76Å; Y336-F395 HydrophobicContact CE2-CZ 4.01Å; Y336-K415 HydrophobicContact CD1-CD 3.93Å; Y336-K415 HydrophobicContact CD1-CG 4Å; Y336-K415 HydrophobicContact CD2-CB 3.96Å; Y336-K415 HydrophobicContact CD2-CD 4.13Å; Y336-K415 HydrophobicContact CD2-CG 3.82Å; Y336-K415 HydrophobicContact CE1-CD 3.74Å; Y336-K415 HydrophobicContact CE1-CG 4.3Å; Y336-K415 HydrophobicContact CE2-CB 4.27Å; Y336-K415 HydrophobicContact CE2-CD 3.94Å; Y336-K415 HydrophobicContact CE2-CG 4.12Å; Y336-K415 HydrophobicContact CG-CB 4.36Å; Y336-K415 HydrophobicContact CG-CD 4.14Å; Y336-K415 HydrophobicContact CG-CG 3.76Å
337	M	93.4	Very high	96.2	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	8%	0.078	C	C	.	.	S	Bend	trans	-63.3	-54.4	176.2	-42.1	75.8	125	0	0	111.2	I102 H330 A332 K334 G335 E339 V381	I102-M337 HydrophobicContact CD1-CB 4.46Å; H330-M337 WeakPolarHBondContact NE2-CE 3.5Å; A332-M337 WeakPolarHBondContact O-CB 3.42Å; K334-M337 WeakPolarHBondContact O-CE 3.35Å; G335-M337 PolarHBondContact O-N 2.9Å; M337-E339 WeakPolarHBondContact O-CG 3.46Å; M337-E339 PolarHBondContact O-N 2.95Å; M337-V381 HydrophobicContact CB-CG2 4.06Å; M337-V381 HydrophobicContact CE-CG1 3.46Å; M337-V381 VanDerWaalsContact CE-CG1 3.46Å; M337-V381 HydrophobicContact CG-CB 4.32Å; M337-V381 HydrophobicContact CG-CG1 3.93Å; M337-V381 HydrophobicContact CG-CG2 3.43Å; M337-V381 VanDerWaalsContact CG-CG2 3.43Å; M337-V381 HydrophobicContact SD-CG1 4.46Å
338	G	94.3	Very high	96.2	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.079	C	C	.	.			trans	68.4	5.5	177.7	0	0	0	0	0	116.3	H92 G335 C340	H92-G338 PolarHBondContact CD2-O 3.37Å; H92-G338 PolarHBondContact NE2-O 3.09Å; G335-G338 PolarHBondContact O-N 3.44Å; G338-C340 PolarHBondContact O-N 3.23Å
339	E	96.7	Very high	96.2	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.019	8%	0.08	C	C	.	.			trans	-81.2	47.4	-166.6	-63.1	-61.8	171.7	0	0	114.2	H92 I102 R103 A332 M337 G341 L342	H92-E339 IonicContact NE2-OE1 2.84Å; H92-E339 IonicContact NE2-OE2 2.81Å; I102-E339 HydrophobicContact CD1-CG 4.37Å; I102-E339 HydrophobicContact CG2-CG 4.32Å; R103-E339 VanDerWaalsContact CZ-CD 3.49Å; R103-E339 IonicContact CZ-OE1 3.78Å; R103-E339 IonicContact CZ-OE2 3.57Å; R103-E339 IonicContact NE-OE1 2.85Å; R103-E339 VanDerWaalsContact NH1-CD 3.33Å; R103-E339 IonicContact NH1-OE1 2.72Å; R103-E339 PolarHBondContact NH1-OE1 3.43Å; R103-E339 IonicContact NH1-OE2 3.49Å; R103-E339 PolarHBondContact NH1-OE2 3.1Å; R103-E339 IonicContact NH2-OE1 2.71Å; R103-E339 PolarHBondContact NH2-OE1 3.49Å; R103-E339 IonicContact NH2-OE2 3.83Å; R103-E339 PolarHBondContact NH2-OE2 2.92Å; A332-E339 HydrophobicContact CB-CB 4.41Å; A332-E339 PolarHBondContact O-N 3.04Å; M337-E339 WeakPolarHBondContact O-CG 3.46Å; M337-E339 PolarHBondContact O-N 2.95Å; E339-G341 VanDerWaalsContact C-N 3.25Å; E339-G341 PolarHBondContact O-N 3.21Å; E339-L342 HydrophobicContact CB-CB 4.25Å; E339-L342 HydrophobicContact CB-CD1 3.89Å; E339-L342 HydrophobicContact CB-CG 4.12Å; E339-L342 HydrophobicContact CG-CD1 3.95Å; E339-L342 PolarHBondContact O-N 3.41Å; E339-L342 VanDerWaalsContact O-N 3.13Å; E339-L342 WeakPolarHBondContact OE2-CD1 3.36Å
340	C	94.6	Very high	96.2	Very high	23 Å²	23	14.3 Å²	14.3	16%	0.155	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-25.3	-172.5	63.8	0	0	0	0	114.6	G338 R343	G338-C340 PolarHBondContact O-N 3.23Å; C340-R343 VanDerWaalsContact O-CD 3.29Å; C340-R343 WeakPolarHBondContact O-CD 3.48Å; C340-R343 PolarHBondContact O-NH1 3.06Å
341	G	95.7	Very high	96.2	Very high	65 Å²	65	17.9 Å²	17.9	67%	0.67	11%	0.106	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-25.4	174.9	0	0	0	0	0	114.3	E339 R343	E339-G341 VanDerWaalsContact C-N 3.25Å; E339-G341 PolarHBondContact O-N 3.21Å; G341-R343 VanDerWaalsContact C-N 3.25Å; G341-R343 PolarHBondContact O-N 3.13Å
342	L	97	Very high	96.1	Very high	37 Å²	37	18.4 Å²	18.4	19%	0.194	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-17	179	-63.6	-172.8	0	0	0	113.1	I106 E339 G344 G374 A377	I106-L342 HydrophobicContact CD1-CD1 3.36Å; E339-L342 HydrophobicContact CB-CB 4.25Å; E339-L342 HydrophobicContact CB-CD1 3.89Å; E339-L342 HydrophobicContact CB-CG 4.12Å; E339-L342 HydrophobicContact CG-CD1 3.95Å; E339-L342 PolarHBondContact O-N 3.41Å; E339-L342 VanDerWaalsContact O-N 3.13Å; E339-L342 WeakPolarHBondContact OE2-CD1 3.36Å; L342-G344 PolarHBondContact O-N 2.9Å; L342-G374 WeakPolarHBondContact O-CA 3.41Å; L342-A377 HydrophobicContact CB-CB 4.26Å; L342-A377 HydrophobicContact CD1-CB 3.71Å
343	R	97.5	Very high	96.1	Very high	90 Å²	90	23 Å²	23	34%	0.34	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	45.5	177.6	-48.1	-53	-58	148.7	2.3	112.7	N178 G179 C340 G341	N178-R343 CarbonylContact C-O 3.57Å; N178-R343 WeakPolarHBondContact CA-O 3.39Å; N178-R343 HydrophobicContact CB-CB 3.87Å; N178-R343 PolarHBondContact O-NH2 3.03Å; G179-R343 PolarHBondContact N-O 3.48Å; C340-R343 VanDerWaalsContact O-CD 3.29Å; C340-R343 WeakPolarHBondContact O-CD 3.48Å; C340-R343 PolarHBondContact O-NH1 3.06Å; G341-R343 VanDerWaalsContact C-N 3.25Å; G341-R343 PolarHBondContact O-N 3.13Å
344	G	98.3	Very high	96.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.6	170.7	0	0	0	0	0	112.5	S331 A332 L342 G374	S331-G344 WeakPolarHBondContact CA-O 3.17Å; S331-G344 PolarHBondContact OG-O 3.44Å; A332-G344 PolarHBondContact N-O 3.35Å; L342-G344 PolarHBondContact O-N 2.9Å; G344-G374 WeakPolarHBondContact CA-O 2.85Å
345	G	98.6	Very high	96.4	Very high	2 Å²	2	32 Å²	32	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	171.9	172.2	0	0	0	0	0	112.9	L176 S177 H330	L176-G345 WeakPolarHBondContact CA-O 3.33Å; S177-G345 PolarHBondContact N-O 2.78Å; S177-G345 PolarHBondContact O-N 3.36Å; H330-G345 WeakPolarHBondContact O-CA 3.48Å
346	Y	98.7	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	163.8	176.2	72.2	-103.4	0	0	0	112.2	V156 I160 I175 H330 M378 V382	V156-Y346 HydrophobicContact CG1-CD1 3.68Å; V156-Y346 HydrophobicContact CG1-CD2 3.72Å; V156-Y346 HydrophobicContact CG1-CE1 3.64Å; V156-Y346 HydrophobicContact CG1-CE2 3.73Å; V156-Y346 HydrophobicContact CG1-CG 3.73Å; V156-Y346 HydrophobicContact CG2-CD1 3.98Å; V156-Y346 HydrophobicContact CG2-CE1 4.36Å; V156-Y346 HydrophobicContact CG2-CG 4.41Å; I160-Y346 HydrophobicContact CD1-CE2 3.81Å; I160-Y346 HydrophobicContact CG1-CE2 4.47Å; I175-Y346 CarbonylContact O-C 3.24Å; I175-Y346 WeakPolarHBondContact O-CA 3.24Å; I175-Y346 VanDerWaalsContact O-CB 3.24Å; I175-Y346 WeakPolarHBondContact O-CB 3.26Å; H330-Y346 HydrophobicContact CB-CD1 4.17Å; H330-Y346 HydrophobicContact CB-CE1 3.58Å; H330-Y346 HydrophobicContact CB-CE2 4.02Å; H330-Y346 VanDerWaalsContact CB-CZ 3.47Å; H330-Y346 AromaticContact CD2-CE1 3.86Å; H330-Y346 PolarHBondContact N-O 3.19Å; H330-Y346 PolarHBondContact O-N 3.27Å; Y346-M378 HydrophobicContact CD1-CE 3.91Å; Y346-M378 HydrophobicContact CD1-CG 3.95Å; Y346-M378 HydrophobicContact CD1-SD 3.93Å; Y346-M378 HydrophobicContact CE1-CE 3.86Å; Y346-M378 HydrophobicContact CE1-SD 4.46Å; Y346-V382 HydrophobicContact CE1-CG1 4.01Å
347	A	98.8	Very high	97.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	138.3	160.2	0	0	0	0	0	110	I174 I175 A183 L187 S328 F329	I174-A347 WeakPolarHBondContact CA-O 3.44Å; I175-A347 HydrophobicContact CD1-CB 3.94Å; I175-A347 HydrophobicContact CG1-CB 3.74Å; I175-A347 PolarHBondContact N-O 3.42Å; I175-A347 PolarHBondContact O-N 3.33Å; A183-A347 HydrophobicContact CB-CB 3.82Å; L187-A347 HydrophobicContact CD1-CB 4.08Å; S328-A347 CarbonylContact O-C 3.52Å; S328-A347 VanDerWaalsContact O-CA 3.25Å; S328-A347 WeakPolarHBondContact O-CA 3.34Å; F329-A347 HydrophobicContact CD1-CB 3.73Å; F329-A347 HydrophobicContact CE1-CB 3.85Å
348	E	98.7	Very high	97.4	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127	162.4	-175.6	-175.8	-149.5	0	0	108.7	I160 S169 I174 K311 A327 S328 V350	I160-E348 HydrophobicContact CD1-CB 3.89Å; I160-E348 HydrophobicContact CD1-CG 4.23Å; I160-E348 WeakPolarHBondContact CG2-OE2 3.29Å; S169-E348 VanDerWaalsContact CB-OE1 3.28Å; S169-E348 WeakPolarHBondContact CB-OE1 3.49Å; S169-E348 PolarHBondContact OG-OE1 2.74Å; I174-E348 HydrophobicContact CG1-CB 4.44Å; I174-E348 HydrophobicContact CG1-CG 4.33Å; K311-E348 WeakPolarHBondContact CD-OE2 3.4Å; K311-E348 VanDerWaalsContact NZ-CD 3.3Å; K311-E348 IonicContact NZ-OE1 3.52Å; K311-E348 PolarHBondContact NZ-OE1 2.72Å; K311-E348 IonicContact NZ-OE2 3.54Å; K311-E348 PolarHBondContact NZ-OE2 3.01Å; A327-E348 WeakPolarHBondContact CA-O 3.29Å; S328-E348 PolarHBondContact N-O 3.26Å; S328-E348 PolarHBondContact O-N 3.02Å; E348-V350 HydrophobicContact CG-CG2 4.11Å
349	I	98.6	Very high	97.5	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	116.6	-178.5	-58.1	166.3	0	0	0	108.7	N173 L187 M352 L357 F360	N173-I349 VanDerWaalsContact CB-O 3.28Å; N173-I349 WeakPolarHBondContact CB-O 3.23Å; N173-I349 PolarHBondContact O-N 3.14Å; L187-I349 HydrophobicContact CD1-CD1 4.22Å; L187-I349 HydrophobicContact CD1-CG1 4.12Å; L187-I349 HydrophobicContact CD2-CD1 3.73Å; L187-I349 HydrophobicContact CD2-CG1 4.21Å; I349-M352 HydrophobicContact CG2-CB 3.43Å; I349-M352 VanDerWaalsContact CG2-CB 3.43Å; I349-M352 HydrophobicContact CG2-CE 3.72Å; I349-M352 HydrophobicContact CG2-CG 4.23Å; I349-M352 HydrophobicContact CG2-SD 3.87Å; I349-L357 HydrophobicContact CB-CD1 4.48Å; I349-L357 HydrophobicContact CD1-CD1 3.74Å; I349-L357 HydrophobicContact CG2-CD1 4.32Å; I349-F360 HydrophobicContact CD1-CD1 3.81Å; I349-F360 HydrophobicContact CD1-CE1 3.57Å
350	V	98.3	Very high	97.6	Very high	26 Å²	26	44.3 Å²	44.3	16%	0.158	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	134.2	-173.6	-175.7	0	0	0	0	109.4	K311 E325 L326 E348 M352	K311-V350 HydrophobicContact CD-CG2 4.06Å; K311-V350 HydrophobicContact CG-CG2 4.39Å; E325-V350 WeakPolarHBondContact CA-O 3.25Å; L326-V350 HydrophobicContact CB-CB 4.21Å; L326-V350 HydrophobicContact CD2-CG2 4.43Å; L326-V350 PolarHBondContact N-O 3.02Å; L326-V350 PolarHBondContact O-N 3.34Å; E348-V350 HydrophobicContact CG-CG2 4.11Å; V350-M352 PolarHBondContact O-N 3.46Å
351	N	97.9	Very high	97.6	Very high	75 Å²	75	45.5 Å²	45.5	40%	0.401	25%	0.25	S	C	.	.	S	Bend	trans	58.1	7.8	176.3	-58.9	-34.1	0	0	0	116.8	S322 H323 M324 H353	S322-N351 PolarHBondContact O-ND2 3.15Å; H323-N351 VanDerWaalsContact C-ND2 3.31Å; H323-N351 WeakPolarHBondContact CA-ND2 3.32Å; M324-N351 WeakPolarHBondContact O-CB 3.4Å; M324-N351 PolarHBondContact O-ND2 2.85Å; N351-H353 PolarHBondContact O-N 2.99Å
352	M	97.6	Very high	97.6	Very high	14 Å²	14	48.9 Å²	48.9	7%	0.069	25%	0.246	C	C	.	.			trans	-61.4	136.4	176.2	-178.3	177	-73	0	0	110.8	L187 L190 F289 E325 I349 V350 V356 L357	L187-M352 HydrophobicContact CD2-CE 3.89Å; L190-M352 HydrophobicContact CD1-CE 4.42Å; F289-M352 HydrophobicContact CE2-CE 3.57Å; F289-M352 HydrophobicContact CZ-CE 3.53Å; E325-M352 WeakPolarHBondContact OE1-CA 3.5Å; I349-M352 HydrophobicContact CG2-CB 3.43Å; I349-M352 VanDerWaalsContact CG2-CB 3.43Å; I349-M352 HydrophobicContact CG2-CE 3.72Å; I349-M352 HydrophobicContact CG2-CG 4.23Å; I349-M352 HydrophobicContact CG2-SD 3.87Å; V350-M352 PolarHBondContact O-N 3.46Å; M352-V356 HydrophobicContact CG-CB 4.2Å; M352-V356 HydrophobicContact CG-CG1 4.14Å; M352-V356 HydrophobicContact SD-CB 4.44Å; M352-V356 HydrophobicContact SD-CG1 3.91Å; M352-L357 HydrophobicContact CG-CB 4.39Å; M352-L357 HydrophobicContact SD-CB 4.21Å; M352-L357 HydrophobicContact SD-CD1 4.36Å
353	H	97.2	Very high	97.5	Very high	96 Å²	96	48.9 Å²	48.9	44%	0.444	25%	0.249	S	C	.	.			trans	-49.7	128.6	177.7	-170.3	-83.1	0	0	0	111.9	E325 N351 E355 V356 L357	E325-H353 PolarHBondContact OE1-N 3.42Å; N351-H353 PolarHBondContact O-N 2.99Å; H353-E355 VanDerWaalsContact C-N 3.3Å; H353-E355 PolarHBondContact ND1-N 2.7Å; H353-E355 PolarHBondContact O-N 3.48Å; H353-V356 HydrophobicContact CB-CB 4.21Å; H353-V356 HydrophobicContact CB-CG2 3.9Å; H353-V356 WeakPolarHBondContact O-CA 3.16Å; H353-V356 WeakPolarHBondContact O-CB 3.49Å; H353-V356 PolarHBondContact O-N 3.3Å; H353-L357 PolarHBondContact O-N 3.34Å
354	P	96.9	Very high	97.4	Very high	93 Å²	93	44.8 Å²	44.8	60%	0.604	23%	0.234	S	C	*	.	H	α-helix	trans	-56.9	-38.1	-171.3	-28.8	35.1	0	0	0	114.7	L357 T358	P354-L357 PolarHBondContact O-N 2.88Å; P354-T358 WeakPolarHBondContact O-CB 3.2Å; P354-T358 PolarHBondContact O-N 3.01Å; P354-T358 PolarHBondContact O-OG1 3.4Å
355	E	98.1	Very high	97.1	Very high	138 Å²	138	47.5 Å²	47.5	65%	0.645	25%	0.253	S	S	*	.	H	α-helix	trans	-66.9	-37.2	176	-62.7	-177.7	-175.2	0	0	112.1	H353 T358 Q359	H353-E355 VanDerWaalsContact C-N 3.3Å; H353-E355 PolarHBondContact ND1-N 2.7Å; H353-E355 PolarHBondContact O-N 3.48Å; E355-T358 WeakPolarHBondContact O-CB 3.13Å; E355-T358 PolarHBondContact O-N 3.17Å; E355-Q359 WeakPolarHBondContact O-CG 3.45Å; E355-Q359 PolarHBondContact O-N 3.38Å
356	V	97.7	Very high	96.8	Very high	64 Å²	64	51.9 Å²	51.9	39%	0.388	29%	0.289	S	S	.	.	H	α-helix	trans	-68.3	-43.7	177	178.9	0	0	0	0	109.8	M352 H353 T358 Q359 F360	M352-V356 HydrophobicContact CG-CB 4.2Å; M352-V356 HydrophobicContact CG-CG1 4.14Å; M352-V356 HydrophobicContact SD-CB 4.44Å; M352-V356 HydrophobicContact SD-CG1 3.91Å; H353-V356 HydrophobicContact CB-CB 4.21Å; H353-V356 HydrophobicContact CB-CG2 3.9Å; H353-V356 WeakPolarHBondContact O-CA 3.16Å; H353-V356 WeakPolarHBondContact O-CB 3.49Å; H353-V356 PolarHBondContact O-N 3.3Å; V356-T358 VanDerWaalsContact C-N 3.27Å; V356-T358 PolarHBondContact O-N 3.49Å; V356-Q359 PolarHBondContact O-N 3.44Å; V356-F360 WeakPolarHBondContact O-CB 3.46Å; V356-F360 PolarHBondContact O-N 2.97Å
357	L	97.3	Very high	96.4	Very high	15 Å²	15	55.1 Å²	55.1	8%	0.079	30%	0.303	C	S	.	.	H	α-helix	trans	-59.2	-39.4	174	-178.2	61	0	0	0	111.5	N173 I349 M352 H353 P354 F360 K361	N173-L357 VanDerWaalsContact OD1-CD2 3.31Å; N173-L357 WeakPolarHBondContact OD1-CD2 3.21Å; I349-L357 HydrophobicContact CB-CD1 4.48Å; I349-L357 HydrophobicContact CD1-CD1 3.74Å; I349-L357 HydrophobicContact CG2-CD1 4.32Å; M352-L357 HydrophobicContact CG-CB 4.39Å; M352-L357 HydrophobicContact SD-CB 4.21Å; M352-L357 HydrophobicContact SD-CD1 4.36Å; H353-L357 PolarHBondContact O-N 3.34Å; P354-L357 PolarHBondContact O-N 2.88Å; L357-F360 HydrophobicContact CD1-CD1 4.21Å; L357-F360 WeakPolarHBondContact O-CB 3.49Å; L357-F360 PolarHBondContact O-N 3.17Å; L357-K361 WeakPolarHBondContact O-CB 3.46Å; L357-K361 WeakPolarHBondContact O-CG 3.46Å; L357-K361 PolarHBondContact O-N 3.02Å
358	T	96.9	Very high	96.1	Very high	85 Å²	85	59.2 Å²	59.2	52%	0.521	32%	0.324	S	S	.	.	H	α-helix	trans	-63.4	-46.3	174.8	-59.9	0	0	0	0	111.7	P354 E355 V356 F360 K361 K362	P354-T358 WeakPolarHBondContact O-CB 3.2Å; P354-T358 PolarHBondContact O-N 3.01Å; P354-T358 PolarHBondContact O-OG1 3.4Å; E355-T358 WeakPolarHBondContact O-CB 3.13Å; E355-T358 PolarHBondContact O-N 3.17Å; V356-T358 VanDerWaalsContact C-N 3.27Å; V356-T358 PolarHBondContact O-N 3.49Å; T358-F360 VanDerWaalsContact C-N 3.28Å; T358-F360 PolarHBondContact O-N 2.85Å; T358-K361 PolarHBondContact O-N 3.46Å; T358-K362 WeakPolarHBondContact O-CB 3.48Å; T358-K362 PolarHBondContact O-N 2.7Å
359	Q	97.5	Very high	96	Very high	103 Å²	103	60 Å²	60	48%	0.481	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-37.2	174.5	-64.8	-53.4	-37.9	0	0	111.8	E355 V356 K362 S363	E355-Q359 WeakPolarHBondContact O-CG 3.45Å; E355-Q359 PolarHBondContact O-N 3.38Å; V356-Q359 PolarHBondContact O-N 3.44Å; Q359-K362 WeakPolarHBondContact O-CB 3.42Å; Q359-K362 PolarHBondContact O-N 3.17Å; Q359-S363 WeakPolarHBondContact O-CB 3.44Å; Q359-S363 PolarHBondContact O-N 3.45Å
360	F	97.1	Very high	95.9	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-63.8	-51	175.7	173.3	-111.2	0	0	0	111.9	I175 S186 L187 L190 I349 V356 L357 T358 K362 S363 I364	I175-F360 HydrophobicContact CD1-CE1 3.52Å; I175-F360 HydrophobicContact CD1-CZ 3.41Å; I175-F360 VanDerWaalsContact CD1-CZ 3.41Å; I175-F360 HydrophobicContact CG2-CE1 4Å; S186-F360 WeakPolarHBondContact O-CE2 3.44Å; L187-F360 HydrophobicContact CD2-CD1 4.12Å; L187-F360 HydrophobicContact CD2-CD2 4.04Å; L187-F360 HydrophobicContact CD2-CE1 3.89Å; L187-F360 HydrophobicContact CD2-CE2 3.79Å; L187-F360 HydrophobicContact CD2-CG 4.19Å; L187-F360 HydrophobicContact CD2-CZ 3.71Å; L187-F360 HydrophobicContact CG-CE1 4.3Å; L187-F360 HydrophobicContact CG-CE2 3.86Å; L187-F360 HydrophobicContact CG-CZ 3.7Å; L190-F360 HydrophobicContact CD1-CB 3.86Å; L190-F360 HydrophobicContact CD1-CD2 3.68Å; L190-F360 HydrophobicContact CD1-CG 3.98Å; L190-F360 HydrophobicContact CD2-CB 4.31Å; L190-F360 HydrophobicContact CD2-CD2 4.07Å; L190-F360 HydrophobicContact CG-CD2 4.08Å; I349-F360 HydrophobicContact CD1-CD1 3.81Å; I349-F360 HydrophobicContact CD1-CE1 3.57Å; V356-F360 WeakPolarHBondContact O-CB 3.46Å; V356-F360 PolarHBondContact O-N 2.97Å; L357-F360 HydrophobicContact CD1-CD1 4.21Å; L357-F360 WeakPolarHBondContact O-CB 3.49Å; L357-F360 PolarHBondContact O-N 3.17Å; T358-F360 VanDerWaalsContact C-N 3.28Å; T358-F360 PolarHBondContact O-N 2.85Å; F360-K362 VanDerWaalsContact C-N 3.28Å; F360-K362 PolarHBondContact O-N 2.69Å; F360-S363 WeakPolarHBondContact O-CA 3.45Å; F360-S363 WeakPolarHBondContact O-CB 3.33Å; F360-S363 PolarHBondContact O-N 2.94Å; F360-S363 PolarHBondContact O-OG 2.87Å; F360-I364 HydrophobicContact CD2-CG2 4.28Å; F360-I364 HydrophobicContact CE1-CD1 4.38Å; F360-I364 HydrophobicContact CE1-CG2 4.42Å; F360-I364 HydrophobicContact CE2-CG2 3.68Å; F360-I364 HydrophobicContact CZ-CG2 3.77Å; F360-I364 PolarHBondContact O-N 3.13Å
361	K	95.7	Very high	95.9	Very high	48 Å²	48	61.1 Å²	61.1	21%	0.209	34%	0.339	C	S	.	.	H	α-helix	trans	-56.2	-40.9	174.7	-75.2	-177.1	177.7	-177.1	0	111.6	V147 E172 L357 T358 I364 S365	V147-K361 HydrophobicContact CG1-CD 4.36Å; V147-K361 HydrophobicContact CG1-CG 4.1Å; E172-K361 WeakPolarHBondContact O-CE 3.47Å; E172-K361 PolarHBondContact O-NZ 3.19Å; E172-K361 IonicContact OE2-NZ 3.34Å; E172-K361 PolarHBondContact OE2-NZ 3.43Å; E172-K361 VanDerWaalsContact OE2-NZ 3.14Å; L357-K361 WeakPolarHBondContact O-CB 3.46Å; L357-K361 WeakPolarHBondContact O-CG 3.46Å; L357-K361 PolarHBondContact O-N 3.02Å; T358-K361 PolarHBondContact O-N 3.46Å; K361-I364 WeakPolarHBondContact O-CG1 3.35Å; K361-S365 PolarHBondContact O-N 3.02Å; K361-S365 PolarHBondContact O-OG 3.27Å
362	K	95.4	Very high	95.9	Very high	136 Å²	136	58 Å²	58	59%	0.591	32%	0.323	S	S	*	.	H	α-helix	trans	-61.4	-45.8	172.2	-169.4	-178.6	77.4	-175	0	111.6	T358 Q359 F360 I364 S365	T358-K362 WeakPolarHBondContact O-CB 3.48Å; T358-K362 PolarHBondContact O-N 2.7Å; Q359-K362 WeakPolarHBondContact O-CB 3.42Å; Q359-K362 PolarHBondContact O-N 3.17Å; F360-K362 VanDerWaalsContact C-N 3.28Å; F360-K362 PolarHBondContact O-N 2.69Å; K362-I364 VanDerWaalsContact C-N 3.33Å; K362-I364 PolarHBondContact O-N 2.68Å; K362-S365 WeakPolarHBondContact O-CB 3.47Å; K362-S365 PolarHBondContact O-N 2.99Å; K362-S365 VanDerWaalsContact O-N 3.09Å
363	S	95	Very high	95.9	Very high	37 Å²	37	59.9 Å²	59.9	26%	0.259	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-36.1	-178.6	86.3	0	0	0	0	113.3	K189 Q359 F360 S365	K189-S363 VanDerWaalsContact CE-OG 3.29Å; K189-S363 WeakPolarHBondContact CE-OG 3.3Å; K189-S363 PolarHBondContact NZ-OG 3Å; Q359-S363 WeakPolarHBondContact O-CB 3.44Å; Q359-S363 PolarHBondContact O-N 3.45Å; F360-S363 WeakPolarHBondContact O-CA 3.45Å; F360-S363 WeakPolarHBondContact O-CB 3.33Å; F360-S363 PolarHBondContact O-N 2.94Å; F360-S363 PolarHBondContact O-OG 2.87Å; S363-S365 VanDerWaalsContact C-N 3.27Å
364	I	94.6	Very high	96	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-78.6	-13.2	177.7	63.4	172.8	0	0	0	111.9	V147 I175 F360 K361 K362 A366 K367	V147-I364 HydrophobicContact CG1-CD1 3.94Å; I175-I364 HydrophobicContact CG2-CD1 4.18Å; F360-I364 HydrophobicContact CD2-CG2 4.28Å; F360-I364 HydrophobicContact CE1-CD1 4.38Å; F360-I364 HydrophobicContact CE1-CG2 4.42Å; F360-I364 HydrophobicContact CE2-CG2 3.68Å; F360-I364 HydrophobicContact CZ-CG2 3.77Å; F360-I364 PolarHBondContact O-N 3.13Å; K361-I364 WeakPolarHBondContact O-CG1 3.35Å; K362-I364 VanDerWaalsContact C-N 3.33Å; K362-I364 PolarHBondContact O-N 2.68Å; I364-A366 PolarHBondContact O-N 3.45Å; I364-K367 WeakPolarHBondContact O-CG 3.38Å; I364-K367 PolarHBondContact O-N 3.45Å
365	S	93.5	Very high	96.1	Very high	56 Å²	56	51 Å²	51	39%	0.392	28%	0.284	S	S	.	.	H	α-helix	trans	-70.2	-21.6	173.9	-61	0	0	0	0	112.6	S146 K361 K362 S363 K367 L368	S146-S365 WeakPolarHBondContact OG-CA 3.46Å; S146-S365 PolarHBondContact OG-OG 2.97Å; S146-S365 VanDerWaalsContact OG-OG 3.11Å; K361-S365 PolarHBondContact O-N 3.02Å; K361-S365 PolarHBondContact O-OG 3.27Å; K362-S365 WeakPolarHBondContact O-CB 3.47Å; K362-S365 PolarHBondContact O-N 2.99Å; K362-S365 VanDerWaalsContact O-N 3.09Å; S363-S365 VanDerWaalsContact C-N 3.27Å; S365-K367 PolarHBondContact O-N 2.92Å; S365-L368 PolarHBondContact O-N 2.83Å; S365-L368 VanDerWaalsContact O-N 3.11Å
366	A	92.1	Very high	96.1	Very high	95 Å²	95	44.5 Å²	44.5	79%	0.785	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-22.9	174.1	0	0	0	0	0	113.6	I364	I364-A366 PolarHBondContact O-N 3.45Å
367	K	89.9	Confident	96.2	Very high	68 Å²	68	41.4 Å²	41.4	30%	0.296	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	1.4	175.6	62.9	151.3	-174.5	154.7	0	113.5	E182 I364 S365 C369	E182-K367 WeakPolarHBondContact OE1-CD 3.35Å; E182-K367 VanDerWaalsContact OE1-CE 3.23Å; E182-K367 WeakPolarHBondContact OE1-CE 3.47Å; E182-K367 IonicContact OE1-NZ 2.76Å; E182-K367 PolarHBondContact OE1-NZ 2.81Å; E182-K367 IonicContact OE2-NZ 3.24Å; I364-K367 WeakPolarHBondContact O-CG 3.38Å; I364-K367 PolarHBondContact O-N 3.45Å; S365-K367 PolarHBondContact O-N 2.92Å; K367-C369 PolarHBondContact O-N 2.95Å
368	L	93.1	Very high	96.2	Very high	85 Å²	85	40.7 Å²	40.7	45%	0.445	23%	0.231	S	C	.	.			trans	64.7	-118.8	-168.5	-44.9	174.5	0	0	0	110.5	Y143 S146 S365	Y143-L368 HydrophobicContact CD1-CB 4.43Å; Y143-L368 HydrophobicContact CD1-CD1 4.37Å; Y143-L368 HydrophobicContact CE1-CB 4.43Å; Y143-L368 HydrophobicContact CE1-CD1 3.68Å; Y143-L368 HydrophobicContact CE2-CD1 4.19Å; S146-L368 WeakPolarHBondContact CA-O 3.48Å; S146-L368 WeakPolarHBondContact CB-O 3.27Å; S146-L368 PolarHBondContact OG-O 3.19Å; S365-L368 PolarHBondContact O-N 2.83Å; S365-L368 VanDerWaalsContact O-N 3.11Å
369	C	95.9	Very high	96.3	Very high	21 Å²	21	36.7 Å²	36.7	14%	0.142	21%	0.206	C	C	.	.			trans	-123.2	168.3	-177.3	70.5	0	0	0	0	112.9	S144 A145 K367	S144-C369 WeakPolarHBondContact O-CB 3.29Å; A145-C369 WeakPolarHBondContact O-CB 3.45Å; K367-C369 PolarHBondContact O-N 2.95Å
370	S	97.2	Very high	96.4	Very high	3 Å²	3	31.9 Å²	31.9	2%	0.021	18%	0.184	C	C	.	.			trans	-74.8	169.7	166.4	57.1	0	0	0	0	111.3	V372 Q375	S370-V372 PolarHBondContact O-N 3.09Å; S370-Q375 PolarHBondContact O-NE2 3.23Å; S370-Q375 WeakPolarHBondContact OG-CG 3.35Å; S370-Q375 PolarHBondContact OG-NE2 3.41Å
371	S	97.1	Very high	96.3	Very high	47 Å²	47	32 Å²	32	33%	0.329	19%	0.185	S	C	.	.			trans	-54.3	123.6	176	172.9	0	0	0	0	111.4	N178 L373 G374 Q375	N178-S371 WeakPolarHBondContact OD1-CB 3.48Å; N178-S371 PolarHBondContact OD1-N 3.4Å; S371-L373 VanDerWaalsContact C-N 3.28Å; S371-L373 PolarHBondContact O-N 3.05Å; S371-L373 PolarHBondContact OG-N 3.42Å; S371-G374 CarbonylContact O-C 3.53Å; S371-G374 WeakPolarHBondContact O-CA 3.22Å; S371-G374 PolarHBondContact O-N 3.06Å; S371-G374 PolarHBondContact OG-N 3.17Å; S371-Q375 WeakPolarHBondContact O-CG 3.44Å; S371-Q375 PolarHBondContact O-N 2.87Å
372	V	98.5	Very high	96.4	Very high	11 Å²	11	30.1 Å²	30.1	7%	0.067	18%	0.177	C	C	.	.	H	α-helix	trans	-61.5	-37.7	177.7	176.3	0	0	0	0	111.2	V140 S142 L149 S370 G374 Q375 I376	V140-V372 HydrophobicContact CB-CG1 4.08Å; V140-V372 HydrophobicContact CG1-CG1 4.12Å; S142-V372 WeakPolarHBondContact O-CG2 3.46Å; L149-V372 HydrophobicContact CD1-CG1 4.2Å; S370-V372 PolarHBondContact O-N 3.09Å; V372-G374 VanDerWaalsContact C-N 3.3Å; V372-G374 PolarHBondContact O-N 3.24Å; V372-Q375 WeakPolarHBondContact O-CB 3.48Å; V372-Q375 PolarHBondContact O-N 3.44Å; V372-Q375 VanDerWaalsContact O-N 3.14Å; V372-I376 HydrophobicContact CG1-CD1 4.11Å; V372-I376 WeakPolarHBondContact O-CG1 3.44Å; V372-I376 PolarHBondContact O-N 3.44Å
373	L	98.4	Very high	96.5	Very high	53 Å²	53	27.1 Å²	27.1	28%	0.277	16%	0.164	S	C	.	.	H	α-helix	trans	-65.6	-34.4	173.5	-60.3	-176	0	0	0	112.2	T110 V140 S371 I376 A377	T110-L373 HydrophobicContact CG2-CD1 3.93Å; T110-L373 HydrophobicContact CG2-CD2 3.53Å; T110-L373 HydrophobicContact CG2-CG 4.39Å; V140-L373 HydrophobicContact CB-CD2 3.97Å; V140-L373 HydrophobicContact CG1-CD2 4.04Å; V140-L373 HydrophobicContact CG2-CD2 4.05Å; S371-L373 VanDerWaalsContact C-N 3.28Å; S371-L373 PolarHBondContact O-N 3.05Å; S371-L373 PolarHBondContact OG-N 3.42Å; L373-I376 HydrophobicContact CD2-CD1 4.37Å; L373-I376 PolarHBondContact O-N 3Å; L373-A377 WeakPolarHBondContact O-CB 3.37Å; L373-A377 PolarHBondContact O-N 2.83Å
374	G	98.5	Very high	96.5	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-65.8	-38.2	171.4	0	0	0	0	0	112.4	L342 G344 S371 V372 A377 M378	L342-G374 WeakPolarHBondContact O-CA 3.41Å; G344-G374 WeakPolarHBondContact CA-O 2.85Å; S371-G374 CarbonylContact O-C 3.53Å; S371-G374 WeakPolarHBondContact O-CA 3.22Å; S371-G374 PolarHBondContact O-N 3.06Å; S371-G374 PolarHBondContact OG-N 3.17Å; V372-G374 VanDerWaalsContact C-N 3.3Å; V372-G374 PolarHBondContact O-N 3.24Å; G374-A377 PolarHBondContact O-N 3.43Å; G374-M378 PolarHBondContact O-N 2.96Å
375	Q	98.8	Very high	96.5	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.009	17%	0.165	C	C	.	.	H	α-helix	trans	-65.1	-44	174.3	-63.8	172.2	55.4	0	0	111.2	S144 V152 L176 S370 S371 V372 M378 D379	S144-Q375 PolarHBondContact OG-NE2 3.46Å; S144-Q375 PolarHBondContact OG-OE1 2.9Å; V152-Q375 WeakPolarHBondContact CG1-O 3.3Å; L176-Q375 HydrophobicContact CB-CG 3.94Å; L176-Q375 HydrophobicContact CD1-CB 3.87Å; L176-Q375 HydrophobicContact CD1-CG 3.63Å; L176-Q375 HydrophobicContact CG-CG 4.43Å; S370-Q375 PolarHBondContact O-NE2 3.23Å; S370-Q375 WeakPolarHBondContact OG-CG 3.35Å; S370-Q375 PolarHBondContact OG-NE2 3.41Å; S371-Q375 WeakPolarHBondContact O-CG 3.44Å; S371-Q375 PolarHBondContact O-N 2.87Å; V372-Q375 WeakPolarHBondContact O-CB 3.48Å; V372-Q375 PolarHBondContact O-N 3.44Å; V372-Q375 VanDerWaalsContact O-N 3.14Å; Q375-M378 WeakPolarHBondContact O-CB 3.44Å; Q375-M378 PolarHBondContact O-N 3.31Å; Q375-D379 PolarHBondContact O-N 2.77Å
376	I	98.8	Very high	96.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63	-41.8	174.8	-70.5	168.4	0	0	0	111.6	V105 I106 C109 L131 V140 V372 L373 M378 D379 C380	V105-I376 HydrophobicContact CG1-CG2 3.88Å; I106-I376 HydrophobicContact CG1-CG2 3.92Å; C109-I376 HydrophobicContact CB-CD1 3.82Å; L131-I376 HydrophobicContact CB-CG1 4.45Å; L131-I376 HydrophobicContact CD1-CB 4.46Å; L131-I376 HydrophobicContact CD1-CG1 4.18Å; L131-I376 HydrophobicContact CD1-CG2 3.96Å; V140-I376 HydrophobicContact CG1-CD1 3.53Å; V372-I376 HydrophobicContact CG1-CD1 4.11Å; V372-I376 WeakPolarHBondContact O-CG1 3.44Å; V372-I376 PolarHBondContact O-N 3.44Å; L373-I376 HydrophobicContact CD2-CD1 4.37Å; L373-I376 PolarHBondContact O-N 3Å; I376-M378 VanDerWaalsContact C-N 3.29Å; I376-M378 PolarHBondContact O-N 3.17Å; I376-D379 VanDerWaalsContact O-CB 3.31Å; I376-D379 WeakPolarHBondContact O-CB 3.47Å; I376-D379 PolarHBondContact O-N 3.25Å; I376-C380 PolarHBondContact O-N 2.81Å; I376-C380 VanDerWaalsContact O-N 3.08Å; I376-C380 PolarHBondContact O-SG 2.85Å
377	A	98.6	Very high	96.4	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60.6	-42.4	174.2	0	0	0	0	0	111	I102 I106 L342 L373 G374 D379 C380 V381	I102-A377 HydrophobicContact CG2-CB 4.5Å; I106-A377 HydrophobicContact CD1-CB 4.2Å; L342-A377 HydrophobicContact CB-CB 4.26Å; L342-A377 HydrophobicContact CD1-CB 3.71Å; L373-A377 WeakPolarHBondContact O-CB 3.37Å; L373-A377 PolarHBondContact O-N 2.83Å; G374-A377 PolarHBondContact O-N 3.43Å; A377-D379 VanDerWaalsContact C-N 3.33Å; A377-D379 PolarHBondContact O-N 3.15Å; A377-C380 PolarHBondContact O-N 3.13Å; A377-V381 VanDerWaalsContact O-CG2 3.32Å; A377-V381 WeakPolarHBondContact O-CG2 3.42Å; A377-V381 PolarHBondContact O-N 3.44Å
378	M	98.5	Very high	96.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-39.1	175.8	-161.5	65.6	-114.9	0	0	111.7	A332 Y346 G374 Q375 I376 C380 V381 V382	A332-M378 HydrophobicContact CB-SD 4.2Å; Y346-M378 HydrophobicContact CD1-CE 3.91Å; Y346-M378 HydrophobicContact CD1-CG 3.95Å; Y346-M378 HydrophobicContact CD1-SD 3.93Å; Y346-M378 HydrophobicContact CE1-CE 3.86Å; Y346-M378 HydrophobicContact CE1-SD 4.46Å; G374-M378 PolarHBondContact O-N 2.96Å; Q375-M378 WeakPolarHBondContact O-CB 3.44Å; Q375-M378 PolarHBondContact O-N 3.31Å; I376-M378 VanDerWaalsContact C-N 3.29Å; I376-M378 PolarHBondContact O-N 3.17Å; M378-C380 PolarHBondContact O-N 2.95Å; M378-V381 HydrophobicContact CE-CB 3.77Å; M378-V381 HydrophobicContact CE-CG1 3.52Å; M378-V381 WeakPolarHBondContact O-CB 3.35Å; M378-V381 PolarHBondContact O-N 2.95Å; M378-V381 VanDerWaalsContact O-N 3.14Å; M378-V382 HydrophobicContact CE-CG1 3.49Å; M378-V382 VanDerWaalsContact CE-CG1 3.49Å; M378-V382 WeakPolarHBondContact O-CG2 3.39Å; M378-V382 PolarHBondContact O-N 2.91Å
379	D	98.8	Very high	96.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-56.8	-47.7	174.5	-171	-97	0	0	0	112.5	R127 L131 V152 H155 Q375 I376 A377 V381 V382 K383	R127-D379 VanDerWaalsContact CD-OD1 3.29Å; R127-D379 WeakPolarHBondContact CD-OD1 3.33Å; R127-D379 IonicContact CZ-OD1 2.79Å; R127-D379 IonicContact NE-OD1 3.7Å; R127-D379 IonicContact NH1-OD1 3.66Å; R127-D379 PolarHBondContact NH1-OD1 3.38Å; R127-D379 IonicContact NH1-OD2 3.19Å; L131-D379 HydrophobicContact CD1-CB 4.35Å; L131-D379 HydrophobicContact CD2-CB 4.03Å; V152-D379 HydrophobicContact CG1-CB 4.02Å; V152-D379 HydrophobicContact CG2-CB 3.93Å; H155-D379 IonicContact CE1-OD2 3.47Å; H155-D379 IonicContact CG-OD2 2.62Å; H155-D379 IonicContact ND1-OD1 3.95Å; H155-D379 IonicContact ND1-OD2 2.74Å; H155-D379 PolarHBondContact ND1-OD2 3.28Å; Q375-D379 PolarHBondContact O-N 2.77Å; I376-D379 VanDerWaalsContact O-CB 3.31Å; I376-D379 WeakPolarHBondContact O-CB 3.47Å; I376-D379 PolarHBondContact O-N 3.25Å; A377-D379 VanDerWaalsContact C-N 3.33Å; A377-D379 PolarHBondContact O-N 3.15Å; D379-V381 PolarHBondContact O-N 2.98Å; D379-V382 WeakPolarHBondContact O-CG2 3.5Å; D379-V382 PolarHBondContact O-N 2.84Å; D379-K383 PolarHBondContact O-N 3.38Å
380	C	98.3	Very high	96.4	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.014	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-30.2	178.2	-60.4	0	0	0	0	112.4	F101 I102 I376 A377 M378 P384	F101-C380 HydrophobicContact CD1-CB 4.18Å; F101-C380 HydrophobicContact CE1-CB 4.19Å; I102-C380 HydrophobicContact CB-CB 4.39Å; I102-C380 HydrophobicContact CG1-CB 3.83Å; I376-C380 PolarHBondContact O-N 2.81Å; I376-C380 VanDerWaalsContact O-N 3.08Å; I376-C380 PolarHBondContact O-SG 2.85Å; A377-C380 PolarHBondContact O-N 3.13Å; M378-C380 PolarHBondContact O-N 2.95Å; C380-P384 WeakPolarHBondContact O-CA 3.5Å
381	V	96.4	Very high	96.3	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-76.1	-41.1	178.5	169.7	0	0	0	0	111.8	I102 A332 M337 A377 M378 D379	I102-V381 HydrophobicContact CD1-CG2 4.14Å; A332-V381 HydrophobicContact CB-CG2 4.01Å; M337-V381 HydrophobicContact CB-CG2 4.06Å; M337-V381 HydrophobicContact CE-CG1 3.46Å; M337-V381 VanDerWaalsContact CE-CG1 3.46Å; M337-V381 HydrophobicContact CG-CB 4.32Å; M337-V381 HydrophobicContact CG-CG1 3.93Å; M337-V381 HydrophobicContact CG-CG2 3.43Å; M337-V381 VanDerWaalsContact CG-CG2 3.43Å; M337-V381 HydrophobicContact SD-CG1 4.46Å; A377-V381 VanDerWaalsContact O-CG2 3.32Å; A377-V381 WeakPolarHBondContact O-CG2 3.42Å; A377-V381 PolarHBondContact O-N 3.44Å; M378-V381 HydrophobicContact CE-CB 3.77Å; M378-V381 HydrophobicContact CE-CG1 3.52Å; M378-V381 WeakPolarHBondContact O-CB 3.35Å; M378-V381 PolarHBondContact O-N 2.95Å; M378-V381 VanDerWaalsContact O-N 3.14Å; D379-V381 PolarHBondContact O-N 2.98Å
382	V	97.4	Very high	96	Very high	8 Å²	8	29.6 Å²	29.6	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-85.1	-24.9	-177.8	-60.7	0	0	0	0	113.3	H155 V156 Y159 Y346 M378 D379 P384	H155-V382 HydrophobicContact CB-CG2 4.01Å; V156-V382 HydrophobicContact CG2-CB 4.44Å; V156-V382 HydrophobicContact CG2-CG1 4Å; V156-V382 HydrophobicContact CG2-CG2 3.93Å; Y159-V382 WeakPolarHBondContact CB-O 3.45Å; Y159-V382 HydrophobicContact CD1-CB 4.21Å; Y159-V382 HydrophobicContact CD1-CG1 3.92Å; Y159-V382 HydrophobicContact CD2-CB 4.1Å; Y159-V382 HydrophobicContact CD2-CG1 4.48Å; Y159-V382 VanDerWaalsContact CD2-O 3.28Å; Y159-V382 WeakPolarHBondContact CD2-O 3.29Å; Y159-V382 HydrophobicContact CE1-CG1 4.44Å; Y159-V382 HydrophobicContact CG-CB 3.71Å; Y159-V382 HydrophobicContact CG-CG1 3.95Å; Y346-V382 HydrophobicContact CE1-CG1 4.01Å; M378-V382 HydrophobicContact CE-CG1 3.49Å; M378-V382 VanDerWaalsContact CE-CG1 3.49Å; M378-V382 WeakPolarHBondContact O-CG2 3.39Å; M378-V382 PolarHBondContact O-N 2.91Å; D379-V382 WeakPolarHBondContact O-CG2 3.5Å; D379-V382 PolarHBondContact O-N 2.84Å; V382-P384 VanDerWaalsContact C-CD 3.41Å; V382-P384 WeakPolarHBondContact O-CD 3.36Å
383	K	97.3	Very high	95.6	Very high	74 Å²	74	33.4 Å²	33.4	32%	0.322	21%	0.206	S	C	.	.	S	Bend	trans	-128.6	66.7	174.9	-163.9	175.4	157.8	-157.8	0	110.3	R127 H155 D379	R127-K383 VanDerWaalsContact NH1-CD 3.31Å; R127-K383 VanDerWaalsContact NH2-CD 3.29Å; R127-K383 PolarHBondContact NH2-O 3.25Å; H155-K383 HydrophobicContact CB-CB 4.26Å; H155-K383 HydrophobicContact CB-CD 4.34Å; H155-K383 VanDerWaalsContact CD2-CD 3.43Å; H155-K383 WeakPolarHBondContact CD2-CD 3.18Å; H155-K383 PolarHBondContact CE1-NZ 3.18Å; H155-K383 WeakPolarHBondContact NE2-CD 3.37Å; H155-K383 PolarHBondContact NE2-NZ 2.97Å; D379-K383 PolarHBondContact O-N 3.38Å
384	P	95	Very high	95.2	Very high	40 Å²	40	33.4 Å²	33.4	26%	0.26	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-66.3	169.9	176.7	31.5	-36.8	0	0	0	111.4	C380 V382 A386 F395	C380-P384 WeakPolarHBondContact O-CA 3.5Å; V382-P384 VanDerWaalsContact C-CD 3.41Å; V382-P384 WeakPolarHBondContact O-CD 3.36Å; P384-A386 PolarHBondContact O-N 3.14Å; P384-F395 HydrophobicContact CB-CD1 4.1Å; P384-F395 HydrophobicContact CB-CE1 3.36Å; P384-F395 HydrophobicContact CB-CE2 4.15Å; P384-F395 HydrophobicContact CB-CZ 3.38Å; P384-F395 HydrophobicContact CG-CE1 4.02Å; P384-F395 HydrophobicContact CG-CZ 4.18Å
385	P	95	Very high	94.8	Very high	5 Å²	5	33.9 Å²	33.9	3%	0.032	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-53.4	138.8	176.1	-27.5	36.4	0	0	0	112.4	F101 E389 Y392 F395	F101-P385 HydrophobicContact CB-CG 4.1Å; F101-P385 HydrophobicContact CD1-CG 3.8Å; F101-P385 HydrophobicContact CD2-CG 3.47Å; F101-P385 VanDerWaalsContact CD2-CG 3.47Å; F101-P385 HydrophobicContact CE1-CG 4.03Å; F101-P385 HydrophobicContact CE2-CG 3.71Å; F101-P385 HydrophobicContact CG-CG 3.5Å; F101-P385 HydrophobicContact CZ-CG 3.98Å; P385-E389 WeakPolarHBondContact CA-OE2 3.49Å; P385-Y392 WeakPolarHBondContact O-CD2 3.41Å; P385-F395 HydrophobicContact CB-CB 4.4Å; P385-F395 HydrophobicContact CB-CD1 4.46Å; P385-F395 HydrophobicContact CG-CB 4.09Å; P385-F395 HydrophobicContact CG-CD1 4.38Å; P385-F395 HydrophobicContact CG-CG 4.17Å
386	A	92.1	Very high	93.8	Very high	42 Å²	42	34.8 Å²	34.8	35%	0.347	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-102.7	156.9	-179.4	0	0	0	0	0	111.9	P384 G388 E389 Y392	P384-A386 PolarHBondContact O-N 3.14Å; A386-G388 PolarHBondContact O-N 2.82Å; A386-E389 HydrophobicContact CB-CG 4.39Å; A386-E389 PolarHBondContact N-OE2 2.91Å; A386-E389 WeakPolarHBondContact O-CB 3.41Å; A386-E389 PolarHBondContact O-N 2.84Å; A386-Y392 VanDerWaalsContact O-CB 3.29Å; A386-Y392 WeakPolarHBondContact O-CB 3.39Å
387	P	90.1	Very high	91.7	Very high	101 Å²	101	38.3 Å²	38.3	66%	0.656	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	128.9	174.3	-25.3	33.1	0	0	0	112.1	Y392	P387-Y392 HydrophobicContact CB-CE1 4.29Å; P387-Y392 HydrophobicContact CG-CD2 4.42Å; P387-Y392 HydrophobicContact CG-CE1 4.23Å; P387-Y392 HydrophobicContact CG-CE2 3.81Å
388	G	91	Very high	89.1	Confident	83 Å²	83	43.6 Å²	43.6	86%	0.856	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.2	-17.1	-175.4	0	0	0	0	0	114.3	A386	A386-G388 PolarHBondContact O-N 2.82Å
389	E	94.7	Very high	86.2	Confident	61 Å²	61	47.3 Å²	47.3	29%	0.285	29%	0.286	S	S	.	.	S	Bend	trans	-80.8	142.9	174.3	-64.1	-179.8	158	0	0	111.3	D123 P385 A386 S391 Y392	D123-E389 HydrophobicContact CB-CB 4.04Å; D123-E389 HydrophobicContact CB-CG 4.36Å; P385-E389 WeakPolarHBondContact CA-OE2 3.49Å; A386-E389 HydrophobicContact CB-CG 4.39Å; A386-E389 PolarHBondContact N-OE2 2.91Å; A386-E389 WeakPolarHBondContact O-CB 3.41Å; A386-E389 PolarHBondContact O-N 2.84Å; E389-S391 VanDerWaalsContact C-N 3.27Å; E389-S391 PolarHBondContact O-N 2.93Å; E389-S391 VanDerWaalsContact O-N 3.16Å; E389-Y392 WeakPolarHBondContact O-CB 3.43Å; E389-Y392 PolarHBondContact O-N 2.95Å
390	P	94.2	Very high	83.3	Confident	79 Å²	79	53.6 Å²	53.6	51%	0.513	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-30.6	-175.2	-30.4	37.3	0	0	0	116	P121 Y392	P121-P390 HydrophobicContact CB-CB 4Å; P390-Y392 VanDerWaalsContact C-N 3.34Å
391	S	94.3	Very high	80.5	Confident	8 Å²	8	58.9 Å²	58.9	6%	0.056	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.8	179.2	-52.4	0	0	0	0	113.6	P121 D123 E389 E393 L394 F395	P121-S391 WeakPolarHBondContact CB-OG 3.44Å; D123-S391 VanDerWaalsContact CG-OG 3.27Å; D123-S391 PolarHBondContact OD1-OG 2.8Å; D123-S391 WeakPolarHBondContact OD2-CB 3.46Å; D123-S391 PolarHBondContact OD2-N 3.03Å; D123-S391 PolarHBondContact OD2-OG 3Å; E389-S391 VanDerWaalsContact C-N 3.27Å; E389-S391 PolarHBondContact O-N 2.93Å; E389-S391 VanDerWaalsContact O-N 3.16Å; S391-E393 PolarHBondContact O-N 3.1Å; S391-L394 PolarHBondContact O-N 2.91Å; S391-F395 WeakPolarHBondContact O-CB 3.16Å; S391-F395 PolarHBondContact O-N 3.4Å; S391-F395 VanDerWaalsContact O-N 3.07Å
392	Y	92.4	Very high	77.6	Confident	48 Å²	48	64.3 Å²	64.3	19%	0.188	39%	0.39	C	S	.	.	H	α-helix	trans	-62.5	-43.6	-172.4	179.2	-102	0	0	0	114.1	P385 A386 P387 E389 P390 L394 F395 A396 K397	P385-Y392 WeakPolarHBondContact O-CD2 3.41Å; A386-Y392 VanDerWaalsContact O-CB 3.29Å; A386-Y392 WeakPolarHBondContact O-CB 3.39Å; P387-Y392 HydrophobicContact CB-CE1 4.29Å; P387-Y392 HydrophobicContact CG-CD2 4.42Å; P387-Y392 HydrophobicContact CG-CE1 4.23Å; P387-Y392 HydrophobicContact CG-CE2 3.81Å; E389-Y392 WeakPolarHBondContact O-CB 3.43Å; E389-Y392 PolarHBondContact O-N 2.95Å; P390-Y392 VanDerWaalsContact C-N 3.34Å; Y392-L394 VanDerWaalsContact C-N 3.29Å; Y392-L394 PolarHBondContact O-N 3.09Å; Y392-F395 PolarHBondContact O-N 3.3Å; Y392-F395 VanDerWaalsContact O-N 3.1Å; Y392-A396 HydrophobicContact CD2-CB 3.9Å; Y392-A396 HydrophobicContact CE2-CB 3.46Å; Y392-A396 VanDerWaalsContact CE2-CB 3.46Å; Y392-A396 PolarHBondContact O-N 3.43Å; Y392-K397 HydrophobicContact CD1-CB 4.39Å; Y392-K397 HydrophobicContact CE1-CB 3.83Å; Y392-K397 HydrophobicContact CE1-CD 4.34Å; Y392-K397 HydrophobicContact CE1-CG 4.05Å
393	E	89	Confident	74.6	Confident	91 Å²	91	71 Å²	71	43%	0.425	43%	0.425	S	S	.	.	H	α-helix	trans	-64.2	-35.1	-176	-68.1	-68.9	161.3	0	0	111.9	S391 K397	S391-E393 PolarHBondContact O-N 3.1Å; E393-K397 VanDerWaalsContact CD-CD 3.47Å; E393-K397 WeakPolarHBondContact OE1-CD 3.49Å; E393-K397 IonicContact OE1-NZ 3.95Å; E393-K397 PolarHBondContact OE1-NZ 3.18Å; E393-K397 WeakPolarHBondContact OE2-CD 3.3Å; E393-K397 IonicContact OE2-NZ 2.65Å
394	L	90.3	Very high	71.8	Confident	54 Å²	54	74.7 Å²	74.7	28%	0.283	45%	0.447	S	S	.	.	H	α-helix	trans	-74.5	-36.3	173.1	-174.3	72.7	0	0	0	111.5	T100 S391 Y392 L412 E414	T100-L394 HydrophobicContact CG2-CD2 3.75Å; S391-L394 PolarHBondContact O-N 2.91Å; Y392-L394 VanDerWaalsContact C-N 3.29Å; Y392-L394 PolarHBondContact O-N 3.09Å; L394-L412 CarbonylContact C-O 3.52Å; L394-L412 VanDerWaalsContact CD1-O 3.25Å; L394-L412 WeakPolarHBondContact CD1-O 3.25Å; L394-E414 HydrophobicContact CG-CG 4.38Å; L394-E414 PolarHBondContact O-N 2.85Å
395	F	90.5	Very high	69	Low	10 Å²	10	81.9 Å²	81.9	4%	0.044	47%	0.474	C	S	.	.	H	α-helix	trans	-76	-52.9	-175.5	175	-104.7	0	0	0	113.9	I99 Y336 P384 P385 S391 Y392 K415	I99-F395 HydrophobicContact CG2-CD2 3.84Å; I99-F395 HydrophobicContact CG2-CE2 4.04Å; Y336-F395 AromaticContact CE2-CE2 3.76Å; Y336-F395 HydrophobicContact CE2-CE2 3.76Å; Y336-F395 HydrophobicContact CE2-CZ 4.01Å; P384-F395 HydrophobicContact CB-CD1 4.1Å; P384-F395 HydrophobicContact CB-CE1 3.36Å; P384-F395 HydrophobicContact CB-CE2 4.15Å; P384-F395 HydrophobicContact CB-CZ 3.38Å; P384-F395 HydrophobicContact CG-CE1 4.02Å; P384-F395 HydrophobicContact CG-CZ 4.18Å; P385-F395 HydrophobicContact CB-CB 4.4Å; P385-F395 HydrophobicContact CB-CD1 4.46Å; P385-F395 HydrophobicContact CG-CB 4.09Å; P385-F395 HydrophobicContact CG-CD1 4.38Å; P385-F395 HydrophobicContact CG-CG 4.17Å; S391-F395 WeakPolarHBondContact O-CB 3.16Å; S391-F395 PolarHBondContact O-N 3.4Å; S391-F395 VanDerWaalsContact O-N 3.07Å; Y392-F395 PolarHBondContact O-N 3.3Å; Y392-F395 VanDerWaalsContact O-N 3.1Å; F395-K415 HydrophobicContact CE1-CD 4.38Å; F395-K415 HydrophobicContact CE2-CB 4.31Å; F395-K415 HydrophobicContact CZ-CB 4.36Å; F395-K415 HydrophobicContact CZ-CD 3.91Å; F395-K415 WeakPolarHBondContact O-CB 3.2Å; F395-K415 PolarHBondContact O-N 3.26Å
396	A	77.7	Confident	66.2	Low	22 Å²	22	90.4 Å²	90.4	18%	0.182	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129	-25.5	-155.6	0	0	0	0	0	118	Y392 V398	Y392-A396 HydrophobicContact CD2-CB 3.9Å; Y392-A396 HydrophobicContact CE2-CB 3.46Å; Y392-A396 VanDerWaalsContact CE2-CB 3.46Å; Y392-A396 PolarHBondContact O-N 3.43Å; A396-V398 PolarHBondContact O-N 3.25Å
397	K	54.8	Low	63.6	Low	73 Å²	73	97.8 Å²	97.8	32%	0.317	54%	0.54	S	S	.	.			trans	-72.4	104.9	-156.8	-163.6	-179.9	-170.9	173.8	0	114	Y392 E393 T399 Q413	Y392-K397 HydrophobicContact CD1-CB 4.39Å; Y392-K397 HydrophobicContact CE1-CB 3.83Å; Y392-K397 HydrophobicContact CE1-CD 4.34Å; Y392-K397 HydrophobicContact CE1-CG 4.05Å; E393-K397 VanDerWaalsContact CD-CD 3.47Å; E393-K397 WeakPolarHBondContact OE1-CD 3.49Å; E393-K397 IonicContact OE1-NZ 3.95Å; E393-K397 PolarHBondContact OE1-NZ 3.18Å; E393-K397 WeakPolarHBondContact OE2-CD 3.3Å; E393-K397 IonicContact OE2-NZ 2.65Å; K397-T399 HydrophobicContact CD-CG2 4.01Å; K397-T399 HydrophobicContact CG-CG2 4.11Å; K397-T399 PolarHBondContact O-N 2.98Å; K397-Q413 PolarHBondContact O-NE2 2.99Å
398	V	43.7	Very low	60.9	Low	111 Å²	111	104.1 Å²	104.1	67%	0.673	55%	0.551	S	S	*	*			trans	-81.2	95.9	161	180	0	0	0	0	107.5	A396 A416	A396-V398 PolarHBondContact O-N 3.25Å; V398-A416 HydrophobicContact CG2-CB 4.14Å
399	T	36.7	Very low	58.2	Low	79 Å²	79	106 Å²	106	49%	0.485	55%	0.546	S	S	.	.			trans	-85.5	137.1	157.9	45.4	0	0	0	0	108.3	K397	K397-T399 HydrophobicContact CD-CG2 4.01Å; K397-T399 HydrophobicContact CG-CG2 4.11Å; K397-T399 PolarHBondContact O-N 2.98Å
400	D	38.4	Very low	55.7	Low	131 Å²	131	111.2 Å²	111.2	70%	0.701	57%	0.568	S	S	*	*			trans	-15.5	125.2	172.2	-132.3	-24.3	0	0	0	114.1	T402	D400-T402 PolarHBondContact O-N 3.24Å
401	S	39.9	Very low	53.2	Low	113 Å²	113	117 Å²	117	79%	0.79	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.4	11.7	-163.7	55.8	0	0	0	0	116
402	T	35.7	Very low	51.2	Low	118 Å²	118	119.4 Å²	119.4	72%	0.724	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-5.1	-174.6	18.6	0	0	0	0	115.8	D400	D400-T402 PolarHBondContact O-N 3.24Å
403	L	34.3	Very low	50.6	Low	149 Å²	149	120.1 Å²	120.1	78%	0.78	60%	0.596	S	S	*	*			trans	-112.8	13.1	-170.4	-75	168.7	0	0	0	117.5	K405	L403-K405 VanDerWaalsContact C-N 3.34Å; L403-K405 PolarHBondContact O-N 2.97Å; L403-K405 VanDerWaalsContact O-N 3.08Å
404	L	37.5	Very low	50.6	Low	151 Å²	151	116.2 Å²	116.2	79%	0.791	58%	0.578	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	45.1	-176.6	-99.1	153	0	0	0	115.4
405	K	37.3	Very low	50.6	Low	191 Å²	191	116 Å²	116	83%	0.83	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.2	2.5	-179.5	-87.3	-172.3	178.9	178.7	0	118.1	L403	L403-K405 VanDerWaalsContact C-N 3.34Å; L403-K405 PolarHBondContact O-N 2.97Å; L403-K405 VanDerWaalsContact O-N 3.08Å
406	H	35.3	Very low	50.5	Low	183 Å²	183	116.1 Å²	116.1	85%	0.847	58%	0.578	S	S	*	*			trans	-114.9	116.7	-178.6	-73.3	81.4	0	0	0	113.6	R408	H406-R408 PolarHBondContact O-N 3.38Å; H406-R408 VanDerWaalsContact O-N 3.11Å
407	H	38.1	Very low	51	Low	198 Å²	198	117.5 Å²	117.5	92%	0.917	58%	0.581	S	S	*	*			trans	-80.9	30	-162.6	-110.6	-66.4	0	0	0	116.9
408	R	32.8	Very low	52.7	Low	233 Å²	233	114.2 Å²	114.2	88%	0.879	57%	0.567	S	S	*	*	S	Bend	trans	-133.6	117.3	178.7	-80.5	-178.6	170.9	168.2	-3.6	112	H406	H406-R408 PolarHBondContact O-N 3.38Å; H406-R408 VanDerWaalsContact O-N 3.11Å
409	T	34.7	Very low	54.9	Low	123 Å²	123	110.7 Å²	110.7	76%	0.755	54%	0.544	S	S	*	.			trans	84.1	73.1	-178.3	-24.7	0	0	0	0	114.4	R411	T409-R411 HydrophobicContact CG2-CG 4.36Å; T409-R411 PolarHBondContact O-N 3.37Å
410	K	41.8	Very low	57.5	Low	171 Å²	171	111.7 Å²	111.7	74%	0.743	55%	0.546	S	S	*	.			trans	-67.5	68.4	169	-155.9	-175	-175	-155.5	0	109.6	L412	K410-L412 VanDerWaalsContact C-N 3.28Å; K410-L412 HydrophobicContact CD-CD2 3.61Å; K410-L412 VanDerWaalsContact CE-CD2 3.41Å; K410-L412 HydrophobicContact CG-CD2 3.63Å; K410-L412 HydrophobicContact CG-CG 4.23Å; K410-L412 PolarHBondContact O-N 3.49Å
411	R	42.2	Very low	59.9	Low	199 Å²	199	108.8 Å²	108.8	75%	0.751	53%	0.53	S	S	*	.			trans	-68.9	97.6	162	-79.2	-171.2	-170.4	178.3	3.6	105.4	T409	T409-R411 HydrophobicContact CG2-CG 4.36Å; T409-R411 PolarHBondContact O-N 3.37Å
412	L	51.4	Low	62.4	Low	59 Å²	59	103.5 Å²	103.5	31%	0.309	49%	0.494	S	S	.	.			trans	-63.1	136.7	-169.4	-65.8	156.8	0	0	0	110.2	L394 K410 E414 E417	L394-L412 CarbonylContact C-O 3.52Å; L394-L412 VanDerWaalsContact CD1-O 3.25Å; L394-L412 WeakPolarHBondContact CD1-O 3.25Å; K410-L412 VanDerWaalsContact C-N 3.28Å; K410-L412 HydrophobicContact CD-CD2 3.61Å; K410-L412 VanDerWaalsContact CE-CD2 3.41Å; K410-L412 HydrophobicContact CG-CD2 3.63Å; K410-L412 HydrophobicContact CG-CG 4.23Å; K410-L412 PolarHBondContact O-N 3.49Å; L412-E414 PolarHBondContact O-N 2.92Å; L412-E417 WeakPolarHBondContact CD2-OE2 3.33Å
413	Q	79.7	Confident	65	Low	64 Å²	64	101 Å²	101	30%	0.299	47%	0.473	S	S	.	.			trans	-92.3	80.1	174.3	-67.8	162.8	-7.6	0	0	108	K397 K415 A416 E417	K397-Q413 PolarHBondContact O-NE2 2.99Å; Q413-K415 PolarHBondContact O-N 3.42Å; Q413-A416 HydrophobicContact CB-CB 4.3Å; Q413-A416 PolarHBondContact O-N 2.89Å; Q413-E417 WeakPolarHBondContact O-CB 3.48Å; Q413-E417 PolarHBondContact O-N 3.32Å
414	E	90	Very high	67.8	Low	9 Å²	9	97.8 Å²	97.8	4%	0.042	46%	0.457	C	S	.	.	H	α-helix	trans	-57.7	-46.6	-158.8	-64.1	179.1	147.5	0	0	113.7	I99 T100 L394 L412 V418	I99-E414 WeakPolarHBondContact CA-OE2 3.39Å; I99-E414 HydrophobicContact CD1-CB 3.78Å; I99-E414 WeakPolarHBondContact CG2-OE2 3.24Å; T100-E414 WeakPolarHBondContact CB-OE1 3.43Å; T100-E414 PolarHBondContact N-OE1 3.29Å; T100-E414 PolarHBondContact N-OE2 3.41Å; T100-E414 PolarHBondContact OG1-OE1 2.71Å; L394-E414 HydrophobicContact CG-CG 4.38Å; L394-E414 PolarHBondContact O-N 2.85Å; L412-E414 PolarHBondContact O-N 2.92Å; E414-V418 VanDerWaalsContact O-CG2 3.28Å; E414-V418 WeakPolarHBondContact O-CG2 3.43Å; E414-V418 PolarHBondContact O-N 2.85Å; E414-V418 VanDerWaalsContact O-N 3.1Å
415	K	90.6	Very high	70.4	Confident	48 Å²	48	92.3 Å²	92.3	21%	0.209	43%	0.427	C	S	.	.	H	α-helix	trans	-64.5	-47.9	-179.6	173.9	170	178.1	162.4	0	111.5	D298 Y336 F395 Q413 V418 L419	D298-K415 IonicContact OD1-NZ 2.68Å; D298-K415 PolarHBondContact OD1-NZ 3.29Å; Y336-K415 HydrophobicContact CD1-CD 3.93Å; Y336-K415 HydrophobicContact CD1-CG 4Å; Y336-K415 HydrophobicContact CD2-CB 3.96Å; Y336-K415 HydrophobicContact CD2-CD 4.13Å; Y336-K415 HydrophobicContact CD2-CG 3.82Å; Y336-K415 HydrophobicContact CE1-CD 3.74Å; Y336-K415 HydrophobicContact CE1-CG 4.3Å; Y336-K415 HydrophobicContact CE2-CB 4.27Å; Y336-K415 HydrophobicContact CE2-CD 3.94Å; Y336-K415 HydrophobicContact CE2-CG 4.12Å; Y336-K415 HydrophobicContact CG-CB 4.36Å; Y336-K415 HydrophobicContact CG-CD 4.14Å; Y336-K415 HydrophobicContact CG-CG 3.76Å; F395-K415 HydrophobicContact CE1-CD 4.38Å; F395-K415 HydrophobicContact CE2-CB 4.31Å; F395-K415 HydrophobicContact CZ-CB 4.36Å; F395-K415 HydrophobicContact CZ-CD 3.91Å; F395-K415 WeakPolarHBondContact O-CB 3.2Å; F395-K415 PolarHBondContact O-N 3.26Å; Q413-K415 PolarHBondContact O-N 3.42Å; K415-V418 PolarHBondContact O-N 2.94Å; K415-L419 HydrophobicContact CG-CD1 3.98Å; K415-L419 WeakPolarHBondContact O-CG 3.42Å; K415-L419 PolarHBondContact O-N 3.24Å
416	A	87.5	Confident	73.1	Confident	13 Å²	13	83.3 Å²	83.3	11%	0.107	39%	0.388	C	S	.	.	H	α-helix	trans	-66.3	-42.1	-177.3	0	0	0	0	0	111.3	V398 Q413 V418 L419 N420	V398-A416 HydrophobicContact CG2-CB 4.14Å; Q413-A416 HydrophobicContact CB-CB 4.3Å; Q413-A416 PolarHBondContact O-N 2.89Å; A416-V418 PolarHBondContact O-N 3.03Å; A416-L419 PolarHBondContact O-N 2.67Å; A416-N420 VanDerWaalsContact O-CB 3.29Å; A416-N420 WeakPolarHBondContact O-CB 3.41Å; A416-N420 PolarHBondContact O-N 3.26Å; A416-N420 PolarHBondContact O-ND2 2.87Å
417	E	88.7	Confident	75.8	Confident	52 Å²	52	76 Å²	76	24%	0.243	36%	0.358	C	S	.	.	H	α-helix	trans	-58.1	-48.8	175.4	176.8	171.4	-172.3	0	0	111.4	L412 Q413 N420 N421	L412-E417 WeakPolarHBondContact CD2-OE2 3.33Å; Q413-E417 WeakPolarHBondContact O-CB 3.48Å; Q413-E417 PolarHBondContact O-N 3.32Å; E417-N420 PolarHBondContact O-N 3.43Å; E417-N421 VanDerWaalsContact O-CB 3.27Å; E417-N421 WeakPolarHBondContact O-CB 3.23Å; E417-N421 PolarHBondContact O-N 3.48Å; E417-N421 PolarHBondContact O-ND2 3.45Å; E417-N421 VanDerWaalsContact O-ND2 3.08Å
418	V	90.7	Very high	78.5	Confident	4 Å²	4	69.4 Å²	69.4	2%	0.024	33%	0.328	C	S	.	.	H	α-helix	trans	-62.4	-46.1	179.1	172.8	0	0	0	0	111.3	Q96 E414 K415 A416 N421 L422	Q96-V418 HydrophobicContact CG-CG1 4.06Å; Q96-V418 HydrophobicContact CG-CG2 4.05Å; E414-V418 VanDerWaalsContact O-CG2 3.28Å; E414-V418 WeakPolarHBondContact O-CG2 3.43Å; E414-V418 PolarHBondContact O-N 2.85Å; E414-V418 VanDerWaalsContact O-N 3.1Å; K415-V418 PolarHBondContact O-N 2.94Å; A416-V418 PolarHBondContact O-N 3.03Å; V418-N421 PolarHBondContact O-N 2.98Å; V418-L422 HydrophobicContact CG1-CD1 3.95Å; V418-L422 HydrophobicContact CG1-CG 4.46Å; V418-L422 VanDerWaalsContact O-CG 3.24Å; V418-L422 WeakPolarHBondContact O-CG 3.13Å; V418-L422 PolarHBondContact O-N 2.92Å
419	L	90.5	Very high	81.4	Confident	36 Å²	36	58.3 Å²	58.3	19%	0.188	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-41.3	-179.7	-69.8	177	0	0	0	112.6	D298 K415 A416 L422 H423	D298-L419 WeakPolarHBondContact O-CD2 3.41Å; K415-L419 HydrophobicContact CG-CD1 3.98Å; K415-L419 WeakPolarHBondContact O-CG 3.42Å; K415-L419 PolarHBondContact O-N 3.24Å; A416-L419 PolarHBondContact O-N 2.67Å; L419-L422 PolarHBondContact O-N 3.41Å; L419-H423 WeakPolarHBondContact O-CB 3.41Å; L419-H423 PolarHBondContact O-N 3.41Å
420	N	89.4	Confident	84.3	Confident	100 Å²	100	53 Å²	53	54%	0.535	25%	0.254	S	S	.	.	H	α-helix	trans	-64	-43.9	175.5	-71.4	-18.6	0	0	0	111.3	A416 E417 L422 H423 D424	A416-N420 VanDerWaalsContact O-CB 3.29Å; A416-N420 WeakPolarHBondContact O-CB 3.41Å; A416-N420 PolarHBondContact O-N 3.26Å; A416-N420 PolarHBondContact O-ND2 2.87Å; E417-N420 PolarHBondContact O-N 3.43Å; N420-L422 VanDerWaalsContact C-N 3.28Å; N420-L422 PolarHBondContact O-N 3.46Å; N420-H423 WeakPolarHBondContact O-CB 3.24Å; N420-H423 PolarHBondContact O-N 2.81Å; N420-D424 PolarHBondContact O-N 3.32Å
421	N	89.8	Confident	86.8	Confident	70 Å²	70	51.1 Å²	51.1	37%	0.374	25%	0.247	S	C	.	.	H	α-helix	trans	-60.3	-38.9	175.1	-75.7	-31.2	0	0	0	111.9	E417 V418 K425	E417-N421 VanDerWaalsContact O-CB 3.27Å; E417-N421 WeakPolarHBondContact O-CB 3.23Å; E417-N421 PolarHBondContact O-N 3.48Å; E417-N421 PolarHBondContact O-ND2 3.45Å; E417-N421 VanDerWaalsContact O-ND2 3.08Å; V418-N421 PolarHBondContact O-N 2.98Å; N421-K425 WeakPolarHBondContact O-CB 3.45Å; N421-K425 WeakPolarHBondContact O-CD 3.41Å; N421-K425 WeakPolarHBondContact O-CG 3.2Å; N421-K425 PolarHBondContact O-N 3.44Å; N421-K425 VanDerWaalsContact O-N 3.12Å
422	L	91.5	Very high	89.4	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.016	22%	0.222	C	C	.	.	H	α-helix	trans	-69.9	-38.9	176.2	-69.9	170.4	0	0	0	112.1	N299 Y301 V418 L419 N420 K425 A426 I509 L510	N299-L422 WeakPolarHBondContact ND2-CD1 3.43Å; Y301-L422 HydrophobicContact CD1-CB 4.37Å; Y301-L422 HydrophobicContact CE1-CB 3.43Å; Y301-L422 VanDerWaalsContact CE1-CB 3.43Å; Y301-L422 WeakPolarHBondContact OH-CB 3.47Å; V418-L422 HydrophobicContact CG1-CD1 3.95Å; V418-L422 HydrophobicContact CG1-CG 4.46Å; V418-L422 VanDerWaalsContact O-CG 3.24Å; V418-L422 WeakPolarHBondContact O-CG 3.13Å; V418-L422 PolarHBondContact O-N 2.92Å; L419-L422 PolarHBondContact O-N 3.41Å; N420-L422 VanDerWaalsContact C-N 3.28Å; N420-L422 PolarHBondContact O-N 3.46Å; L422-K425 PolarHBondContact O-N 3.29Å; L422-A426 VanDerWaalsContact O-CB 3.32Å; L422-A426 WeakPolarHBondContact O-CB 3.45Å; L422-A426 PolarHBondContact O-N 2.84Å; L422-I509 HydrophobicContact CD2-CD1 4.37Å; L422-I509 HydrophobicContact CD2-CG1 4.34Å; L422-L510 HydrophobicContact CD2-CD2 3.64Å
423	H	91.3	Very high	91.6	Very high	64 Å²	64	40.1 Å²	40.1	30%	0.296	21%	0.208	S	C	.	.	H	α-helix	trans	-57.5	-51	173.3	166	-83.5	0	0	0	111.7	Y301 L419 N420 K425 A426 S427	Y301-H423 HydrophobicContact CD1-CB 3.98Å; Y301-H423 HydrophobicContact CG-CB 4.36Å; Y301-H423 PolarHBondContact O-CD2 3.1Å; L419-H423 WeakPolarHBondContact O-CB 3.41Å; L419-H423 PolarHBondContact O-N 3.41Å; N420-H423 WeakPolarHBondContact O-CB 3.24Å; N420-H423 PolarHBondContact O-N 2.81Å; H423-K425 VanDerWaalsContact C-N 3.34Å; H423-K425 PolarHBondContact O-N 3.27Å; H423-A426 WeakPolarHBondContact O-CB 3.48Å; H423-A426 PolarHBondContact O-N 2.9Å; H423-S427 PolarHBondContact O-N 3.4Å; H423-S427 VanDerWaalsContact O-N 3.16Å
424	D	92.3	Very high	92.5	Very high	83 Å²	83	40.8 Å²	40.8	44%	0.444	21%	0.213	S	C	.	.	H	α-helix	trans	-63.3	-44.4	-178	-66	-11.5	0	0	0	110.4	N420 A426 S427 M428	N420-D424 PolarHBondContact O-N 3.32Å; D424-A426 VanDerWaalsContact C-N 3.33Å; D424-A426 PolarHBondContact O-N 3.35Å; D424-S427 PolarHBondContact O-N 3.14Å; D424-M428 WeakPolarHBondContact O-CB 3.28Å; D424-M428 WeakPolarHBondContact O-CG 3.07Å; D424-M428 PolarHBondContact O-N 3.24Å
425	K	92.8	Very high	92.9	Very high	36 Å²	36	43.6 Å²	43.6	16%	0.157	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-35	176.4	-70	173.7	-172.3	-175.1	0	113.2	N421 L422 H423 I429 I509 L510 P511	N421-K425 WeakPolarHBondContact O-CB 3.45Å; N421-K425 WeakPolarHBondContact O-CD 3.41Å; N421-K425 WeakPolarHBondContact O-CG 3.2Å; N421-K425 PolarHBondContact O-N 3.44Å; N421-K425 VanDerWaalsContact O-N 3.12Å; L422-K425 PolarHBondContact O-N 3.29Å; H423-K425 VanDerWaalsContact C-N 3.34Å; H423-K425 PolarHBondContact O-N 3.27Å; K425-I429 WeakPolarHBondContact O-CG2 3.33Å; K425-I429 PolarHBondContact O-N 3.13Å; K425-I509 HydrophobicContact CB-CB 4.39Å; K425-I509 VanDerWaalsContact CB-O 3.3Å; K425-I509 WeakPolarHBondContact CB-O 3.39Å; K425-I509 WeakPolarHBondContact CD-O 3.28Å; K425-L510 PolarHBondContact NZ-O 3.16Å; K425-P511 WeakPolarHBondContact CD-O 3.44Å; K425-P511 WeakPolarHBondContact CE-O 3.39Å; K425-P511 PolarHBondContact NZ-O 3.18Å; K425-P511 VanDerWaalsContact NZ-O 3.13Å
426	A	93.4	Very high	93.2	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.008	24%	0.239	C	C	.	.	H	α-helix	trans	-63.8	-42.1	176.4	0	0	0	0	0	112	Y301 L422 H423 D424 I429 S430 V444 I509	Y301-A426 HydrophobicContact CD2-CB 3.5Å; Y301-A426 VanDerWaalsContact CD2-CB 3.5Å; Y301-A426 HydrophobicContact CE2-CB 4.02Å; Y301-A426 HydrophobicContact CG-CB 4.08Å; L422-A426 VanDerWaalsContact O-CB 3.32Å; L422-A426 WeakPolarHBondContact O-CB 3.45Å; L422-A426 PolarHBondContact O-N 2.84Å; H423-A426 WeakPolarHBondContact O-CB 3.48Å; H423-A426 PolarHBondContact O-N 2.9Å; D424-A426 VanDerWaalsContact C-N 3.33Å; D424-A426 PolarHBondContact O-N 3.35Å; A426-I429 VanDerWaalsContact O-CG2 3.3Å; A426-I429 WeakPolarHBondContact O-CG2 3.41Å; A426-S430 PolarHBondContact O-OG 3.06Å; A426-V444 HydrophobicContact CB-CB 4.02Å; A426-V444 HydrophobicContact CB-CG1 3.99Å; A426-I509 HydrophobicContact CB-CD1 3.92Å
427	S	92.6	Very high	93.6	Very high	31 Å²	31	50.9 Å²	50.9	22%	0.217	28%	0.275	C	S	.	.	H	α-helix	trans	-68	-51.5	174.2	-59.7	0	0	0	0	110.5	H423 D424 I429 S430 E431	H423-S427 PolarHBondContact O-N 3.4Å; H423-S427 VanDerWaalsContact O-N 3.16Å; D424-S427 PolarHBondContact O-N 3.14Å; S427-I429 PolarHBondContact O-N 2.81Å; S427-S430 PolarHBondContact O-N 2.87Å; S427-S430 VanDerWaalsContact O-N 3.17Å; S427-S430 PolarHBondContact O-OG 2.99Å; S427-E431 WeakPolarHBondContact O-CG 3.48Å; S427-E431 PolarHBondContact O-N 2.85Å
428	M	93.9	Very high	94	Very high	58 Å²	58	49.7 Å²	49.7	29%	0.286	28%	0.276	S	S	.	.	H	α-helix	trans	-52.8	-46.4	-179.2	-73.4	171.9	69.2	0	0	113.1	D424 A432 F516	D424-M428 WeakPolarHBondContact O-CB 3.28Å; D424-M428 WeakPolarHBondContact O-CG 3.07Å; D424-M428 PolarHBondContact O-N 3.24Å; M428-A432 WeakPolarHBondContact O-CB 3.42Å; M428-A432 PolarHBondContact O-N 3.3Å; M428-F516 HydrophobicContact CB-CE1 4.19Å; M428-F516 HydrophobicContact CB-CE2 4.46Å; M428-F516 HydrophobicContact CB-CZ 3.9Å; M428-F516 HydrophobicContact CE-CD1 3.76Å; M428-F516 HydrophobicContact CE-CE1 3.77Å
429	I	95.1	Very high	94.4	Very high	1 Å²	1	50 Å²	50	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-43.5	-178.4	-172.2	60.1	0	0	0	112.1	K425 A426 S427 L433 V444 A450 T507 I509 F516 F519 I520	K425-I429 WeakPolarHBondContact O-CG2 3.33Å; K425-I429 PolarHBondContact O-N 3.13Å; A426-I429 VanDerWaalsContact O-CG2 3.3Å; A426-I429 WeakPolarHBondContact O-CG2 3.41Å; S427-I429 PolarHBondContact O-N 2.81Å; I429-L433 HydrophobicContact CD1-CD1 3.82Å; I429-L433 HydrophobicContact CD1-CG 4.05Å; I429-L433 HydrophobicContact CG1-CD1 3.81Å; I429-L433 HydrophobicContact CG1-CG 4.41Å; I429-L433 WeakPolarHBondContact O-CB 3.37Å; I429-L433 WeakPolarHBondContact O-CD1 3.44Å; I429-L433 WeakPolarHBondContact O-CG 3.18Å; I429-L433 PolarHBondContact O-N 2.73Å; I429-V444 HydrophobicContact CG2-CG2 4.16Å; I429-A450 HydrophobicContact CG1-CB 4.28Å; I429-A450 HydrophobicContact CG2-CB 4.32Å; I429-T507 HydrophobicContact CD1-CG2 4.16Å; I429-T507 HydrophobicContact CG1-CG2 4.14Å; I429-I509 HydrophobicContact CG2-CB 4.4Å; I429-I509 HydrophobicContact CG2-CG2 3.68Å; I429-F516 HydrophobicContact CB-CE2 3.86Å; I429-F516 HydrophobicContact CD1-CD2 4.39Å; I429-F516 HydrophobicContact CD1-CE2 3.61Å; I429-F516 HydrophobicContact CD1-CZ 4.46Å; I429-F516 HydrophobicContact CG1-CE2 4.3Å; I429-F519 HydrophobicContact CD1-CD1 4.44Å; I429-F519 HydrophobicContact CD1-CE1 3.75Å; I429-I520 HydrophobicContact CD1-CD1 4.05Å
430	S	94.5	Very high	94.8	Very high	10 Å²	10	51.5 Å²	51.5	7%	0.07	28%	0.283	C	S	.	.	H	α-helix	trans	-70.2	-39.5	-177.1	65.7	0	0	0	0	111.2	A426 S427 N434	A426-S430 PolarHBondContact O-OG 3.06Å; S427-S430 PolarHBondContact O-N 2.87Å; S427-S430 VanDerWaalsContact O-N 3.17Å; S427-S430 PolarHBondContact O-OG 2.99Å; S430-N434 WeakPolarHBondContact O-CB 3.34Å; S430-N434 PolarHBondContact O-N 3.13Å; S430-N434 PolarHBondContact O-ND2 3.12Å
431	E	96	Very high	95.2	Very high	132 Å²	132	47 Å²	47	62%	0.617	26%	0.26	S	S	*	.	H	α-helix	trans	-65.4	-48.8	174.8	-70.8	172.9	-169.4	0	0	111.8	S427 L433 N434 G435	S427-E431 WeakPolarHBondContact O-CG 3.48Å; S427-E431 PolarHBondContact O-N 2.85Å; E431-L433 VanDerWaalsContact C-N 3.33Å; E431-L433 PolarHBondContact O-N 3.23Å; E431-N434 PolarHBondContact O-N 3.09Å; E431-G435 PolarHBondContact O-N 3.38Å
432	A	96.7	Very high	95.5	Very high	27 Å²	27	44.5 Å²	44.5	22%	0.223	25%	0.246	C	C	.	.	H	α-helix	trans	-60.9	-42.1	180	0	0	0	0	0	112	M428 G435 F516 I520	M428-A432 WeakPolarHBondContact O-CB 3.42Å; M428-A432 PolarHBondContact O-N 3.3Å; A432-G435 PolarHBondContact O-N 2.7Å; A432-F516 HydrophobicContact CB-CE1 4.44Å; A432-F516 HydrophobicContact CB-CZ 3.87Å; A432-I520 HydrophobicContact CB-CD1 3.76Å; A432-I520 HydrophobicContact CB-CG1 3.93Å; A432-I520 HydrophobicContact CB-CG2 4.15Å
433	L	97.6	Very high	95.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-68.8	-39.8	177.6	-70.7	171.4	0	0	0	112.3	I429 E431 G435 I436 V439 C441 P452 F505 T507 I520 F523	I429-L433 HydrophobicContact CD1-CD1 3.82Å; I429-L433 HydrophobicContact CD1-CG 4.05Å; I429-L433 HydrophobicContact CG1-CD1 3.81Å; I429-L433 HydrophobicContact CG1-CG 4.41Å; I429-L433 WeakPolarHBondContact O-CB 3.37Å; I429-L433 WeakPolarHBondContact O-CD1 3.44Å; I429-L433 WeakPolarHBondContact O-CG 3.18Å; I429-L433 PolarHBondContact O-N 2.73Å; E431-L433 VanDerWaalsContact C-N 3.33Å; E431-L433 PolarHBondContact O-N 3.23Å; L433-G435 PolarHBondContact O-N 2.78Å; L433-I436 HydrophobicContact CD2-CD1 4.47Å; L433-I436 PolarHBondContact O-N 2.98Å; L433-I436 VanDerWaalsContact O-N 3.14Å; L433-V439 HydrophobicContact CB-CG1 4.19Å; L433-V439 WeakPolarHBondContact O-CB 3.46Å; L433-C441 HydrophobicContact CB-CB 4.01Å; L433-C441 HydrophobicContact CD1-CB 4.37Å; L433-P452 HydrophobicContact CD1-CB 4.04Å; L433-P452 HydrophobicContact CD1-CG 3.85Å; L433-F505 HydrophobicContact CD2-CZ 4.26Å; L433-T507 HydrophobicContact CD1-CG2 4.27Å; L433-I520 HydrophobicContact CD2-CD1 4.43Å; L433-F523 HydrophobicContact CD2-CD1 4.21Å; L433-F523 HydrophobicContact CD2-CE1 3.93Å
434	N	97.9	Very high	96	Very high	78 Å²	78	45.7 Å²	45.7	42%	0.417	25%	0.25	S	S	.	.	H	α-helix	trans	-68.1	-20.5	175.6	-78.1	-45.4	0	0	0	113.2	S430 E431 I436 C441	S430-N434 WeakPolarHBondContact O-CB 3.34Å; S430-N434 PolarHBondContact O-N 3.13Å; S430-N434 PolarHBondContact O-ND2 3.12Å; E431-N434 PolarHBondContact O-N 3.09Å; N434-I436 PolarHBondContact O-N 3.03Å; N434-C441 PolarHBondContact ND2-O 3.45Å; N434-C441 PolarHBondContact OD1-N 3.26Å; N434-C441 PolarHBondContact OD1-O 3.27Å
435	G	97.2	Very high	96.2	Very high	68 Å²	68	42.9 Å²	42.9	70%	0.701	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.6	171.5	0	0	0	0	0	114.2	E431 A432 L433	E431-G435 PolarHBondContact O-N 3.38Å; A432-G435 PolarHBondContact O-N 2.7Å; L433-G435 PolarHBondContact O-N 2.78Å
436	I	97.8	Very high	96.3	Very high	18 Å²	18	41.2 Å²	41.2	9%	0.092	23%	0.227	C	C	.	.	S	Bend	trans	-96.7	116.8	-177.2	-56.5	170.2	0	0	0	109.3	L433 N434 G438 V439 F523 S524 H527	L433-I436 HydrophobicContact CD2-CD1 4.47Å; L433-I436 PolarHBondContact O-N 2.98Å; L433-I436 VanDerWaalsContact O-N 3.14Å; N434-I436 PolarHBondContact O-N 3.03Å; I436-G438 PolarHBondContact O-N 2.86Å; I436-V439 HydrophobicContact CB-CB 4.26Å; I436-V439 HydrophobicContact CB-CG2 4Å; I436-V439 HydrophobicContact CG2-CG2 3.8Å; I436-V439 WeakPolarHBondContact O-CB 3.42Å; I436-V439 PolarHBondContact O-N 3.46Å; I436-F523 HydrophobicContact CD1-CD1 3.44Å; I436-F523 VanDerWaalsContact CD1-CD1 3.44Å; I436-F523 HydrophobicContact CD1-CE1 3.59Å; I436-S524 WeakPolarHBondContact CD1-OG 3.49Å; I436-S524 WeakPolarHBondContact CG1-OG 3.2Å; I436-H527 HydrophobicContact CG2-CB 4.28Å
437	K	96.9	Very high	96.4	Very high	197 Å²	197	41.1 Å²	41.1	86%	0.857	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56	127.5	177.1	-177.9	-178.4	179.1	-178.1	0	110.4	H527	K437-H527 PolarHBondContact O-CD2 3.21Å; K437-H527 PolarHBondContact O-NE2 3.24Å
438	G	97.2	Very high	96.5	Very high	26 Å²	26	39.7 Å²	39.7	27%	0.268	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.1	8.1	-177.9	0	0	0	0	0	114.1	I436 F455	I436-G438 PolarHBondContact O-N 2.86Å; G438-F455 WeakPolarHBondContact O-CD2 3.26Å; G438-F455 PolarHBondContact O-N 2.98Å
439	V	98.3	Very high	96.7	Very high	12 Å²	12	37.2 Å²	37.2	7%	0.073	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	137.5	172.9	-174	0	0	0	0	109.4	L433 I436 P452 R453 I454 F523 H527	L433-V439 HydrophobicContact CB-CG1 4.19Å; L433-V439 WeakPolarHBondContact O-CB 3.46Å; I436-V439 HydrophobicContact CB-CB 4.26Å; I436-V439 HydrophobicContact CB-CG2 4Å; I436-V439 HydrophobicContact CG2-CG2 3.8Å; I436-V439 WeakPolarHBondContact O-CB 3.42Å; I436-V439 PolarHBondContact O-N 3.46Å; V439-P452 HydrophobicContact CG1-CB 3.98Å; V439-R453 WeakPolarHBondContact CA-O 3.03Å; V439-I454 HydrophobicContact CG2-CG2 4.35Å; V439-F523 HydrophobicContact CG2-CE1 4.16Å; V439-F523 HydrophobicContact CG2-CZ 4.35Å; V439-H527 WeakPolarHBondContact CG2-CE1 3.43Å
440	K	98.2	Very high	96.8	Very high	67 Å²	67	37.2 Å²	37.2	29%	0.291	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129	171	178.3	-178.8	174.8	-173.4	0	108.5	E232 P452 R453 F455	E232-K440 IonicContact OE1-NZ 3.18Å; E232-K440 PolarHBondContact OE1-NZ 3.16Å; E232-K440 IonicContact OE2-NZ 2.68Å; E232-K440 PolarHBondContact OE2-NZ 3.48Å; K440-P452 CarbonylContact O-C 3.42Å; K440-P452 WeakPolarHBondContact O-CA 3.4Å; K440-R453 PolarHBondContact N-O 3.13Å; K440-R453 PolarHBondContact O-N 2.71Å; K440-F455 HydrophobicContact CB-CE2 3.78Å; K440-F455 HydrophobicContact CB-CZ 4.34Å
441	C	97.9	Very high	96.9	Very high	6 Å²	6	36.9 Å²	36.9	4%	0.041	20%	0.202	C	C	.	.			trans	-129.6	122.8	178.6	-168.6	0	0	0	0	109.9	L433 N434 P452	L433-C441 HydrophobicContact CB-CB 4.01Å; L433-C441 HydrophobicContact CD1-CB 4.37Å; N434-C441 PolarHBondContact ND2-O 3.45Å; N434-C441 PolarHBondContact OD1-N 3.26Å; N434-C441 PolarHBondContact OD1-O 3.27Å; C441-P452 HydrophobicContact CB-CB 4.06Å
442	N	96.9	Very high	97	Very high	17 Å²	17	30.6 Å²	30.6	9%	0.091	17%	0.173	C	C	.	.			trans	-64.6	157.3	169.2	-65	69.1	0	0	0	110.5	E231 N234 W235 V444	E231-N442 PolarHBondContact O-ND2 2.91Å; N234-N442 WeakPolarHBondContact CA-ND2 3.18Å; N234-N442 PolarHBondContact OD1-ND2 3.45Å; W235-N442 PolarHBondContact NE1-OD1 3.31Å; N442-V444 PolarHBondContact O-N 3.11Å
443	K	95.9	Very high	97.1	Very high	87 Å²	87	31.5 Å²	31.5	38%	0.378	17%	0.17	S	C	.	.			trans	-59.8	134.3	174.7	-171.6	177	-173.2	178.7	0	109.7	D302 Q445	D302-K443 IonicContact OD1-NZ 2.7Å; D302-K443 PolarHBondContact OD1-NZ 3.39Å; K443-Q445 PolarHBondContact O-N 2.86Å
444	V	96.6	Very high	97.1	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.024	17%	0.17	C	C	.	.			trans	-81.8	95.1	172.1	-178.8	0	0	0	0	108.1	A426 I429 N442 G446 Y449 A450 I509	A426-V444 HydrophobicContact CB-CB 4.02Å; A426-V444 HydrophobicContact CB-CG1 3.99Å; I429-V444 HydrophobicContact CG2-CG2 4.16Å; N442-V444 PolarHBondContact O-N 3.11Å; V444-G446 VanDerWaalsContact C-N 3.35Å; V444-G446 VanDerWaalsContact CG1-O 3.3Å; V444-G446 WeakPolarHBondContact CG1-O 3.3Å; V444-Y449 WeakPolarHBondContact CG1-O 3.22Å; V444-A450 HydrophobicContact CG2-CB 3.68Å; V444-I509 HydrophobicContact CG1-CG2 4.28Å
445	Q	96.5	Very high	97.2	Very high	25 Å²	25	32.4 Å²	32.4	12%	0.117	17%	0.17	C	C	.	.			trans	-73.8	-28.2	-177.7	-63	175.4	-62.9	0	0	112.6	G268 V270 Y301 D302 S305 K443	G268-Q445 CarbonylContact O-C 3.47Å; G268-Q445 WeakPolarHBondContact O-CA 3.47Å; G268-Q445 WeakPolarHBondContact O-CB 3.27Å; G268-Q445 PolarHBondContact O-N 3.38Å; V270-Q445 HydrophobicContact CB-CB 4.17Å; V270-Q445 HydrophobicContact CG2-CB 3.71Å; Y301-Q445 PolarHBondContact N-O 3.24Å; D302-Q445 HydrophobicContact CB-CB 3.97Å; D302-Q445 HydrophobicContact CB-CG 4.05Å; D302-Q445 PolarHBondContact N-O 2.86Å; D302-Q445 VanDerWaalsContact N-O 3.15Å; S305-Q445 PolarHBondContact OG-NE2 3.09Å; S305-Q445 VanDerWaalsContact OG-NE2 3.09Å; K443-Q445 PolarHBondContact O-N 2.86Å
446	G	95.8	Very high	97.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-165.4	-158.6	-178.1	0	0	0	0	0	113.5	G268 N299 V444	G268-G446 PolarHBondContact O-N 2.8Å; N299-G446 CarbonylContact O-C 3.54Å; N299-G446 WeakPolarHBondContact O-CA 3.36Å; V444-G446 VanDerWaalsContact C-N 3.35Å; V444-G446 VanDerWaalsContact CG1-O 3.3Å; V444-G446 WeakPolarHBondContact CG1-O 3.3Å
447	A	95.5	Very high	97.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.142	C	C	.	.	S	Bend	trans	55.5	-139.5	-177.1	0	0	0	0	0	113.1	P263 G264 Y296 N299 Y301	P263-A447 HydrophobicContact CB-CB 4.22Å; G264-A447 WeakPolarHBondContact O-CB 3.21Å; Y296-A447 HydrophobicContact CD1-CB 3.89Å; Y296-A447 HydrophobicContact CD2-CB 3.75Å; Y296-A447 HydrophobicContact CE1-CB 4.24Å; Y296-A447 HydrophobicContact CE2-CB 4.15Å; Y296-A447 HydrophobicContact CG-CB 3.64Å; N299-A447 PolarHBondContact O-N 3.39Å; Y301-A447 VanDerWaalsContact CE2-O 3.3Å; Y301-A447 WeakPolarHBondContact CE2-O 3.49Å; Y301-A447 PolarHBondContact OH-O 2.94Å
448	M	94.8	Very high	97	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.129	C	C	.	.	S	Bend	trans	-140.9	12.6	-173	-69	178.3	164	0	0	113.6	Y296 K334 G335 T508 I509 L510	Y296-M448 HydrophobicContact CD1-CG 4.28Å; Y296-M448 HydrophobicContact CE1-CB 4.27Å; Y296-M448 HydrophobicContact CE1-CG 3.87Å; Y296-M448 HydrophobicContact CE1-SD 3.93Å; K334-M448 HydrophobicContact CD-SD 4.18Å; G335-M448 WeakPolarHBondContact O-CE 3.46Å; M448-T508 WeakPolarHBondContact O-CA 3.25Å; M448-T508 PolarHBondContact O-OG1 3.25Å; M448-I509 PolarHBondContact O-N 2.94Å; M448-L510 HydrophobicContact CE-CD2 4.33Å; M448-L510 HydrophobicContact CG-CD2 4.35Å; M448-L510 HydrophobicContact SD-CD1 4.39Å; M448-L510 HydrophobicContact SD-CD2 4.19Å
449	Y	96.5	Very high	97	Very high	5 Å²	5	28.9 Å²	28.9	2%	0.02	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	151.4	-168.8	-50.5	-68.9	0	0	0	111.9	G89 N265 P266 Y296 K334 V444 R506 T507	G89-Y449 WeakPolarHBondContact CA-OH 3.41Å; N265-Y449 HydrophobicContact CB-CD2 4.11Å; N265-Y449 HydrophobicContact CB-CE2 4.22Å; N265-Y449 WeakPolarHBondContact OD1-CD2 3.17Å; P266-Y449 WeakPolarHBondContact O-CB 3.47Å; Y296-Y449 WeakPolarHBondContact OH-CE2 3.39Å; K334-Y449 PolarHBondContact NZ-OH 2.81Å; V444-Y449 WeakPolarHBondContact CG1-O 3.22Å; Y449-R506 HydrophobicContact CD1-CG 4.31Å; Y449-R506 HydrophobicContact CG-CG 4.3Å; Y449-T507 VanDerWaalsContact CA-O 3.3Å; Y449-T507 WeakPolarHBondContact CA-O 3.36Å
450	A	97.2	Very high	96.9	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.6	164.5	0	0	0	0	0	109.2	I429 V444 P452 R506 T507	I429-A450 HydrophobicContact CG1-CB 4.28Å; I429-A450 HydrophobicContact CG2-CB 4.32Å; V444-A450 HydrophobicContact CG2-CB 3.68Å; A450-P452 VanDerWaalsContact C-CD 3.41Å; A450-P452 WeakPolarHBondContact O-CD 3.25Å; A450-R506 WeakPolarHBondContact O-CA 3.3Å; A450-T507 HydrophobicContact CB-CG2 3.95Å; A450-T507 PolarHBondContact N-O 2.94Å; A450-T507 PolarHBondContact O-N 3.1Å
451	F	97.9	Very high	96.8	Very high	4 Å²	4	26.5 Å²	26.5	2%	0.018	13%	0.129	C	C	.	.			trans	-127.4	65.4	179.1	-157.9	-111.9	0	0	0	111.3	P208 W235 P266 T267 F496 H504 F505 R506	P208-F451 HydrophobicContact CB-CD1 4.4Å; P208-F451 HydrophobicContact CB-CE1 3.75Å; P208-F451 HydrophobicContact CB-CZ 3.83Å; P208-F451 HydrophobicContact CG-CD1 3.94Å; P208-F451 HydrophobicContact CG-CE1 3.71Å; P208-F451 HydrophobicContact CG-CZ 4.27Å; W235-F451 HydrophobicContact CH2-CD1 4.06Å; W235-F451 HydrophobicContact CH2-CE1 4.37Å; W235-F451 AromaticContact CZ2-CD1 3.88Å; W235-F451 HydrophobicContact CZ2-CD1 3.88Å; P266-F451 HydrophobicContact CB-CD2 3.7Å; P266-F451 HydrophobicContact CB-CE2 4.15Å; P266-F451 HydrophobicContact CB-CG 4.32Å; P266-F451 HydrophobicContact CG-CD1 4.49Å; P266-F451 HydrophobicContact CG-CD2 3.54Å; P266-F451 HydrophobicContact CG-CE2 3.69Å; P266-F451 HydrophobicContact CG-CG 3.96Å; P266-F451 HydrophobicContact CG-CZ 4.23Å; T267-F451 HydrophobicContact CG2-CB 3.86Å; T267-F451 HydrophobicContact CG2-CD1 3.97Å; T267-F451 HydrophobicContact CG2-CG 4.12Å; F451-F496 HydrophobicContact CE2-CB 4.27Å; F451-F496 AromaticContact CE2-CD2 3.62Å; F451-F496 HydrophobicContact CE2-CD2 3.62Å; F451-F496 HydrophobicContact CE2-CE2 4.16Å; F451-F496 HydrophobicContact CE2-CG 4.02Å; F451-F496 HydrophobicContact CZ-CB 4.15Å; F451-F496 HydrophobicContact CZ-CD2 4.17Å; F451-F496 HydrophobicContact CZ-CG 4.4Å; F451-H504 HydrophobicContact CD1-CB 3.88Å; F451-H504 AromaticContact CD1-CD2 3.85Å; F451-H504 AromaticContact CD1-CG 3.97Å; F451-H504 HydrophobicContact CE1-CB 3.42Å; F451-H504 VanDerWaalsContact CE1-CB 3.42Å; F451-H504 AromaticContact CE1-CD2 3.95Å; F451-H504 AromaticContact CE1-CG 3.62Å; F451-H504 HydrophobicContact CE2-CB 4.26Å; F451-H504 HydrophobicContact CG-CB 4.48Å; F451-H504 HydrophobicContact CZ-CB 3.65Å; F451-F505 WeakPolarHBondContact CA-O 3.37Å; F451-R506 HydrophobicContact CD2-CB 3.81Å; F451-R506 HydrophobicContact CD2-CG 4.34Å; F451-R506 HydrophobicContact CE2-CB 4.09Å
452	P	98.2	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.155	C	C	.	.			trans	-63	145.1	-179.9	27.1	-39.1	0	0	0	113	L433 V439 K440 C441 A450 H504 F505	L433-P452 HydrophobicContact CD1-CB 4.04Å; L433-P452 HydrophobicContact CD1-CG 3.85Å; V439-P452 HydrophobicContact CG1-CB 3.98Å; K440-P452 CarbonylContact O-C 3.42Å; K440-P452 WeakPolarHBondContact O-CA 3.4Å; C441-P452 HydrophobicContact CB-CB 4.06Å; A450-P452 VanDerWaalsContact C-CD 3.41Å; A450-P452 WeakPolarHBondContact O-CD 3.25Å; P452-H504 VanDerWaalsContact O-CA 3.24Å; P452-H504 WeakPolarHBondContact O-CA 3.46Å; P452-H504 WeakPolarHBondContact O-CB 3.48Å; P452-F505 HydrophobicContact CB-CE1 4.25Å; P452-F505 HydrophobicContact CB-CZ 4.23Å; P452-F505 WeakPolarHBondContact CD-O 3.48Å; P452-F505 HydrophobicContact CG-CD1 4Å; P452-F505 HydrophobicContact CG-CD2 3.9Å; P452-F505 HydrophobicContact CG-CE1 3.56Å; P452-F505 HydrophobicContact CG-CE2 3.46Å; P452-F505 VanDerWaalsContact CG-CE2 3.46Å; P452-F505 HydrophobicContact CG-CG 4.17Å; P452-F505 HydrophobicContact CG-CZ 3.28Å; P452-F505 PolarHBondContact O-N 3.06Å; P452-F505 VanDerWaalsContact O-N 3.15Å
453	R	98.6	Very high	96.4	Very high	46 Å²	46	36.5 Å²	36.5	17%	0.174	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.1	167.5	-172.2	171.6	171.7	173.4	-3.9	110.5	E231 V439 K440 F455 Y503 H504	E231-R453 WeakPolarHBondContact OE1-CB 3.29Å; E231-R453 IonicContact OE2-NH1 3.45Å; V439-R453 WeakPolarHBondContact CA-O 3.03Å; K440-R453 PolarHBondContact N-O 3.13Å; K440-R453 PolarHBondContact O-N 2.71Å; R453-F455 HydrophobicContact CG-CE2 4.33Å; R453-F455 HydrophobicContact CG-CZ 4.28Å; R453-Y503 WeakPolarHBondContact CA-O 3.41Å; R453-Y503 WeakPolarHBondContact CG-O 3.45Å; R453-H504 VanDerWaalsContact CA-CD2 3.45Å; R453-H504 WeakPolarHBondContact CA-CD2 3.37Å; R453-H504 WeakPolarHBondContact CB-NE2 3.3Å
454	I	98.3	Very high	96.3	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	128.8	171.8	54.2	179	0	0	0	109.7	V439 L456 Y478 Y503 F505	V439-I454 HydrophobicContact CG2-CG2 4.35Å; I454-L456 HydrophobicContact CB-CD2 4.49Å; I454-L456 HydrophobicContact CD1-CD1 4.34Å; I454-L456 HydrophobicContact CD1-CD2 3.83Å; I454-L456 HydrophobicContact CD1-CG 4.14Å; I454-L456 HydrophobicContact CG1-CD2 4.16Å; I454-L456 HydrophobicContact CG1-CG 4.13Å; I454-L456 PolarHBondContact O-N 2.86Å; I454-Y478 HydrophobicContact CD1-CD1 3.34Å; I454-Y478 HydrophobicContact CD1-CD2 4.13Å; I454-Y478 HydrophobicContact CD1-CE1 3.76Å; I454-Y478 HydrophobicContact CD1-CE2 4.48Å; I454-Y478 HydrophobicContact CD1-CG 3.55Å; I454-Y478 HydrophobicContact CG2-CE1 4.4Å; I454-Y503 WeakPolarHBondContact CG1-O 3.37Å; I454-Y503 PolarHBondContact N-O 3.07Å; I454-F505 HydrophobicContact CG2-CD1 3.89Å; I454-F505 HydrophobicContact CG2-CE1 3.64Å
455	F	98	Very high	96	Very high	95 Å²	95	38.8 Å²	38.8	42%	0.417	18%	0.183	S	C	.	.			trans	-90.5	84.2	178.9	-65.4	-89.2	0	0	0	109.4	G438 K440 R453 M531	G438-F455 WeakPolarHBondContact O-CD2 3.26Å; G438-F455 PolarHBondContact O-N 2.98Å; K440-F455 HydrophobicContact CB-CE2 3.78Å; K440-F455 HydrophobicContact CB-CZ 4.34Å; R453-F455 HydrophobicContact CG-CE2 4.33Å; R453-F455 HydrophobicContact CG-CZ 4.28Å; F455-M531 WeakPolarHBondContact O-CE 3.38Å
456	L	97.3	Very high	95.6	Very high	17 Å²	17	42.7 Å²	42.7	9%	0.089	21%	0.208	C	C	.	.			trans	-68.7	137.3	-177.1	-64.4	-178.8	0	0	0	112	I454 I461 P474 Y478 Y503 F530 M531	I454-L456 HydrophobicContact CB-CD2 4.49Å; I454-L456 HydrophobicContact CD1-CD1 4.34Å; I454-L456 HydrophobicContact CD1-CD2 3.83Å; I454-L456 HydrophobicContact CD1-CG 4.14Å; I454-L456 HydrophobicContact CG1-CD2 4.16Å; I454-L456 HydrophobicContact CG1-CG 4.13Å; I454-L456 PolarHBondContact O-N 2.86Å; L456-I461 HydrophobicContact CB-CD1 4.37Å; L456-I461 HydrophobicContact CB-CG1 4.07Å; L456-P474 HydrophobicContact CD1-CB 3.67Å; L456-P474 WeakPolarHBondContact CD1-O 3.47Å; L456-Y478 HydrophobicContact CD2-CD2 3.52Å; L456-Y478 HydrophobicContact CD2-CE2 4.18Å; L456-Y478 HydrophobicContact CD2-CG 4.01Å; L456-Y503 HydrophobicContact CB-CD2 4.1Å; L456-Y503 HydrophobicContact CB-CE2 4.49Å; L456-Y503 HydrophobicContact CD1-CD1 4.41Å; L456-Y503 HydrophobicContact CD1-CD2 3.94Å; L456-Y503 HydrophobicContact CD1-CG 3.85Å; L456-Y503 HydrophobicContact CG-CD2 4.11Å; L456-Y503 HydrophobicContact CG-CG 4.35Å; L456-F530 HydrophobicContact CD2-CE1 4.1Å; L456-M531 HydrophobicContact CD2-CE 4.37Å
457	P	96.5	Very high	94.7	Very high	18 Å²	18	43.6 Å²	43.6	12%	0.117	22%	0.216	C	C	.	.			trans	-65.3	151.2	174	-22.2	34.4	0	0	0	112.1	K459 A460 I461 M531 Y534	P457-K459 VanDerWaalsContact C-N 3.29Å; P457-K459 PolarHBondContact O-N 3.37Å; P457-A460 WeakPolarHBondContact O-CB 3.36Å; P457-A460 PolarHBondContact O-N 3.36Å; P457-I461 PolarHBondContact O-N 2.8Å; P457-M531 WeakPolarHBondContact CD-SD 3.28Å; P457-M531 HydrophobicContact CG-SD 3.67Å; P457-Y534 WeakPolarHBondContact CB-O 3.33Å
458	P	95.5	Very high	93.6	Very high	87 Å²	87	49.9 Å²	49.9	57%	0.565	25%	0.245	S	C	*	.	H	α-helix	trans	-52.7	-41.9	178	-28.5	35.8	0	0	0	113.9	A460 I461 E462	P458-A460 VanDerWaalsContact C-N 3.3Å; P458-A460 PolarHBondContact O-N 3.22Å; P458-I461 WeakPolarHBondContact O-CB 3.4Å; P458-I461 PolarHBondContact O-N 3.04Å; P458-I461 VanDerWaalsContact O-N 3.12Å; P458-E462 WeakPolarHBondContact O-CG 3.07Å; P458-E462 PolarHBondContact O-N 3Å
459	K	96.3	Very high	92.3	Very high	114 Å²	114	55.6 Å²	55.6	50%	0.496	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-32.3	179	-60.6	177.5	-177.7	163.3	0	112.9	P457 K463 Y534 S535	P457-K459 VanDerWaalsContact C-N 3.29Å; P457-K459 PolarHBondContact O-N 3.37Å; K459-K463 WeakPolarHBondContact O-CB 3.42Å; K459-K463 PolarHBondContact O-N 3.27Å; K459-Y534 HydrophobicContact CB-CD1 4.32Å; K459-Y534 WeakPolarHBondContact CB-O 3.49Å; K459-S535 WeakPolarHBondContact CE-O 3.23Å; K459-S535 PolarHBondContact NZ-O 3.02Å
460	A	95.9	Very high	90.8	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-68.2	-40.8	174.8	0	0	0	0	0	110.8	P457 P458 K463 A464 F530 Y534	P457-A460 WeakPolarHBondContact O-CB 3.36Å; P457-A460 PolarHBondContact O-N 3.36Å; P458-A460 VanDerWaalsContact C-N 3.3Å; P458-A460 PolarHBondContact O-N 3.22Å; A460-K463 PolarHBondContact O-N 2.88Å; A460-A464 WeakPolarHBondContact O-CB 3.5Å; A460-A464 PolarHBondContact O-N 3.34Å; A460-F530 HydrophobicContact CB-CE1 3.7Å; A460-F530 HydrophobicContact CB-CZ 3.99Å; A460-Y534 HydrophobicContact CB-CD1 4.14Å; A460-Y534 HydrophobicContact CB-CD2 4.03Å; A460-Y534 HydrophobicContact CB-CG 3.7Å
461	I	95.9	Very high	89.7	Confident	28 Å²	28	62.9 Å²	62.9	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-65	-46.8	177.1	-62.2	164.9	0	0	0	110.4	L456 P457 P458 A464 K465 P474 Y503	L456-I461 HydrophobicContact CB-CD1 4.37Å; L456-I461 HydrophobicContact CB-CG1 4.07Å; P457-I461 PolarHBondContact O-N 2.8Å; P458-I461 WeakPolarHBondContact O-CB 3.4Å; P458-I461 PolarHBondContact O-N 3.04Å; P458-I461 VanDerWaalsContact O-N 3.12Å; I461-A464 PolarHBondContact O-N 3.12Å; I461-K465 HydrophobicContact CG2-CD 4.42Å; I461-K465 WeakPolarHBondContact O-CG 3.4Å; I461-K465 PolarHBondContact O-N 3.35Å; I461-P474 HydrophobicContact CB-CG 4.41Å; I461-P474 HydrophobicContact CG1-CB 4.2Å; I461-P474 HydrophobicContact CG1-CG 4.4Å; I461-P474 HydrophobicContact CG2-CG 3.96Å; I461-Y503 HydrophobicContact CD1-CE2 3.55Å; I461-Y503 HydrophobicContact CG1-CE2 3.89Å
462	E	94.2	Very high	89.3	Confident	125 Å²	125	64.4 Å²	64.4	58%	0.584	34%	0.336	S	S	*	.	H	α-helix	trans	-60.4	-45.7	175.2	-72.8	172.2	-171	0	0	111.3	P458 A464 K465 V466	P458-E462 WeakPolarHBondContact O-CG 3.07Å; P458-E462 PolarHBondContact O-N 3Å; E462-A464 VanDerWaalsContact C-N 3.3Å; E462-A464 PolarHBondContact O-N 3.29Å; E462-K465 PolarHBondContact O-N 3.3Å; E462-V466 PolarHBondContact O-N 2.96Å; E462-V466 VanDerWaalsContact O-N 3.16Å
463	K	93.7	Very high	89	Confident	108 Å²	108	69.7 Å²	69.7	47%	0.47	36%	0.361	S	S	.	.	H	α-helix	trans	-60.5	-40.6	178.1	-173.8	61.7	175	179.7	0	112	K459 A460 V466 A467 F477 Y534	K459-K463 WeakPolarHBondContact O-CB 3.42Å; K459-K463 PolarHBondContact O-N 3.27Å; A460-K463 PolarHBondContact O-N 2.88Å; K463-V466 HydrophobicContact CD-CG2 4.32Å; K463-V466 WeakPolarHBondContact O-CG2 3.44Å; K463-V466 PolarHBondContact O-N 2.97Å; K463-A467 WeakPolarHBondContact O-CB 3.49Å; K463-A467 PolarHBondContact O-N 3.33Å; K463-F477 HydrophobicContact CB-CZ 4.5Å; K463-F477 HydrophobicContact CG-CE1 4.41Å; K463-F477 HydrophobicContact CG-CE2 4.4Å; K463-F477 HydrophobicContact CG-CZ 3.87Å; K463-Y534 HydrophobicContact CB-CE1 4.06Å; K463-Y534 HydrophobicContact CG-CE1 4.06Å
464	A	93.5	Very high	88.9	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-63.8	-42.7	176	0	0	0	0	0	111.9	A460 I461 E462 V466 A467 Q472 P474 F477	A460-A464 WeakPolarHBondContact O-CB 3.5Å; A460-A464 PolarHBondContact O-N 3.34Å; I461-A464 PolarHBondContact O-N 3.12Å; E462-A464 VanDerWaalsContact C-N 3.3Å; E462-A464 PolarHBondContact O-N 3.29Å; A464-V466 VanDerWaalsContact C-N 3.27Å; A464-V466 PolarHBondContact O-N 2.94Å; A464-A467 WeakPolarHBondContact O-CB 3.41Å; A464-A467 PolarHBondContact O-N 3.45Å; A464-A467 VanDerWaalsContact O-N 3.13Å; A464-Q472 CarbonylContact C-O 3.52Å; A464-Q472 PolarHBondContact O-N 3.3Å; A464-P474 HydrophobicContact CB-CB 4.19Å; A464-P474 HydrophobicContact CB-CG 4.22Å; A464-F477 HydrophobicContact CB-CB 3.61Å; A464-F477 HydrophobicContact CB-CD1 4.05Å; A464-F477 HydrophobicContact CB-CG 3.81Å
465	K	89.1	Confident	88.9	Confident	139 Å²	139	67.8 Å²	67.8	60%	0.604	36%	0.355	S	S	*	.	H	α-helix	trans	-64.4	-27.6	178.7	-72.2	176.7	178.9	-176.8	0	114	I461 E462 G471	I461-K465 HydrophobicContact CG2-CD 4.42Å; I461-K465 WeakPolarHBondContact O-CG 3.4Å; I461-K465 PolarHBondContact O-N 3.35Å; E462-K465 PolarHBondContact O-N 3.3Å; K465-G471 WeakPolarHBondContact O-CA 3.41Å
466	V	87.9	Confident	88.8	Confident	106 Å²	106	65.1 Å²	65.1	64%	0.642	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-1.1	175.8	-54.4	0	0	0	0	113.3	E462 K463 A464 E468	E462-V466 PolarHBondContact O-N 2.96Å; E462-V466 VanDerWaalsContact O-N 3.16Å; K463-V466 HydrophobicContact CD-CG2 4.32Å; K463-V466 WeakPolarHBondContact O-CG2 3.44Å; K463-V466 PolarHBondContact O-N 2.97Å; A464-V466 VanDerWaalsContact C-N 3.27Å; A464-V466 PolarHBondContact O-N 2.94Å; V466-E468 PolarHBondContact O-N 3.46Å
467	A	78.2	Confident	88.7	Confident	20 Å²	20	65.2 Å²	65.2	17%	0.165	34%	0.342	C	S	.	.	S	Bend	trans	-75.2	119.7	173.2	0	0	0	0	0	108.3	K463 A464 G471 Q472	K463-A467 WeakPolarHBondContact O-CB 3.49Å; K463-A467 PolarHBondContact O-N 3.33Å; A464-A467 WeakPolarHBondContact O-CB 3.41Å; A464-A467 PolarHBondContact O-N 3.45Å; A464-A467 VanDerWaalsContact O-N 3.13Å; A467-G471 CarbonylContact O-C 3.53Å; A467-G471 WeakPolarHBondContact O-CA 3.4Å; A467-G471 PolarHBondContact O-N 2.93Å; A467-Q472 HydrophobicContact CB-CG 4.32Å
468	E	73	Confident	88.7	Confident	131 Å²	131	64.4 Å²	64.4	61%	0.612	34%	0.337	S	S	*	.	S	Bend	trans	68.1	169.1	-175.8	-51.9	179.3	165.6	0	0	114.5	V466 L470 G471 Q472	V466-E468 PolarHBondContact O-N 3.46Å; E468-L470 PolarHBondContact O-N 3.02Å; E468-G471 PolarHBondContact O-N 3.26Å; E468-Q472 PolarHBondContact OE1-NE2 3.36Å; E468-Q472 PolarHBondContact OE2-NE2 3.36Å; E468-Q472 VanDerWaalsContact OE2-NE2 3.09Å
469	S	66.2	Low	88.8	Confident	121 Å²	121	60.3 Å²	60.3	85%	0.846	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-20.5	-172.9	55.2	0	0	0	0	114.3
470	L	65	Low	88.8	Confident	137 Å²	137	56.8 Å²	56.8	72%	0.717	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-2.2	-178.5	-65.6	174.2	0	0	0	113.2	E468	E468-L470 PolarHBondContact O-N 3.02Å
471	G	73.9	Confident	88.9	Confident	23 Å²	23	59 Å²	59	24%	0.237	31%	0.308	C	S	.	.			trans	71.5	161.5	-166.2	0	0	0	0	0	112.7	K465 A467 E468	K465-G471 WeakPolarHBondContact O-CA 3.41Å; A467-G471 CarbonylContact O-C 3.53Å; A467-G471 WeakPolarHBondContact O-CA 3.4Å; A467-G471 PolarHBondContact O-N 2.93Å; E468-G471 PolarHBondContact O-N 3.26Å
472	Q	89.1	Confident	89	Confident	36 Å²	36	57.6 Å²	57.6	17%	0.168	30%	0.301	C	S	.	.			trans	-120	148.9	173.9	-66.8	-176.9	-21.3	0	0	110.6	A464 A467 E468 F476	A464-Q472 CarbonylContact C-O 3.52Å; A464-Q472 PolarHBondContact O-N 3.3Å; A467-Q472 HydrophobicContact CB-CG 4.32Å; E468-Q472 PolarHBondContact OE1-NE2 3.36Å; E468-Q472 PolarHBondContact OE2-NE2 3.36Å; E468-Q472 VanDerWaalsContact OE2-NE2 3.09Å; Q472-F476 HydrophobicContact CB-CD1 4.43Å
473	E	93.8	Very high	89.1	Confident	110 Å²	110	51.7 Å²	51.7	51%	0.514	27%	0.273	S	S	.	.			trans	-59.3	131.7	169.2	-69.7	-62	139.5	0	0	109.8	D475 F476 F477	E473-D475 VanDerWaalsContact C-N 3.26Å; E473-D475 WeakPolarHBondContact CB-OD1 3.26Å; E473-D475 PolarHBondContact O-N 2.95Å; E473-F476 HydrophobicContact CB-CB 4.09Å; E473-F476 WeakPolarHBondContact O-CB 3.45Å; E473-F476 PolarHBondContact O-N 3.46Å; E473-F477 PolarHBondContact O-N 3.09Å
474	P	96.6	Very high	89.3	Confident	7 Å²	7	49.6 Å²	49.6	5%	0.045	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-32.7	-173.7	-29	36.7	0	0	0	115	L456 I461 A464 Y478 Y503	L456-P474 HydrophobicContact CD1-CB 3.67Å; L456-P474 WeakPolarHBondContact CD1-O 3.47Å; I461-P474 HydrophobicContact CB-CG 4.41Å; I461-P474 HydrophobicContact CG1-CB 4.2Å; I461-P474 HydrophobicContact CG1-CG 4.4Å; I461-P474 HydrophobicContact CG2-CG 3.96Å; A464-P474 HydrophobicContact CB-CB 4.19Å; A464-P474 HydrophobicContact CB-CG 4.22Å; P474-Y478 WeakPolarHBondContact O-CB 3.44Å; P474-Y478 PolarHBondContact O-N 3.05Å; P474-Y503 HydrophobicContact CB-CD1 3.83Å; P474-Y503 HydrophobicContact CB-CE1 3.54Å; P474-Y503 HydrophobicContact CB-CG 4.46Å; P474-Y503 HydrophobicContact CG-CD1 4.2Å; P474-Y503 HydrophobicContact CG-CE1 3.45Å; P474-Y503 VanDerWaalsContact CG-CE1 3.45Å
475	D	97	Very high	89.5	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-74.6	-32.9	175.3	60	-5.3	0	0	0	113.2	E473 Y478 A479 P492 G493 S494 Q498 Y503 H504	E473-D475 VanDerWaalsContact C-N 3.26Å; E473-D475 WeakPolarHBondContact CB-OD1 3.26Å; E473-D475 PolarHBondContact O-N 2.95Å; D475-Y478 PolarHBondContact O-N 3.47Å; D475-A479 VanDerWaalsContact O-CB 3.25Å; D475-A479 WeakPolarHBondContact O-CB 3.45Å; D475-A479 PolarHBondContact O-N 3.14Å; D475-P492 HydrophobicContact CB-CB 4.2Å; D475-G493 WeakPolarHBondContact OD2-CA 3.37Å; D475-G493 PolarHBondContact OD2-N 2.97Å; D475-S494 WeakPolarHBondContact OD1-CB 3.42Å; D475-S494 PolarHBondContact OD1-OG 3.31Å; D475-S494 WeakPolarHBondContact OD2-CB 3.21Å; D475-S494 PolarHBondContact OD2-N 2.65Å; D475-S494 PolarHBondContact OD2-OG 2.95Å; D475-Q498 PolarHBondContact OD2-NE2 3.11Å; D475-Q498 PolarHBondContact OD2-OE1 3.39Å; D475-Q498 VanDerWaalsContact OD2-OE1 3.09Å; D475-Y503 HydrophobicContact CB-CD1 4.48Å; D475-H504 WeakPolarHBondContact CB-O 3.33Å
476	F	95.3	Very high	89.9	Confident	38 Å²	38	46.2 Å²	46.2	17%	0.167	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-45.6	169.9	179	-85.5	0	0	0	110.3	P60 L61 Q472 E473 Y478 A479 M480 P492	P60-F476 HydrophobicContact CB-CE2 4.15Å; P60-F476 HydrophobicContact CB-CZ 4.04Å; P60-F476 HydrophobicContact CG-CE2 4.32Å; P60-F476 HydrophobicContact CG-CZ 4.42Å; L61-F476 HydrophobicContact CD1-CD2 4.1Å; L61-F476 HydrophobicContact CD1-CE2 4.12Å; L61-F476 HydrophobicContact CG-CE2 4.06Å; Q472-F476 HydrophobicContact CB-CD1 4.43Å; E473-F476 HydrophobicContact CB-CB 4.09Å; E473-F476 WeakPolarHBondContact O-CB 3.45Å; E473-F476 PolarHBondContact O-N 3.46Å; F476-Y478 VanDerWaalsContact C-N 3.33Å; F476-Y478 PolarHBondContact O-N 3.09Å; F476-A479 PolarHBondContact O-N 3.05Å; F476-M480 HydrophobicContact CE1-CB 4.48Å; F476-M480 HydrophobicContact CE1-CE 3.92Å; F476-M480 HydrophobicContact CE2-CE 4.26Å; F476-M480 HydrophobicContact CZ-CE 3.46Å; F476-M480 VanDerWaalsContact CZ-CE 3.46Å; F476-M480 WeakPolarHBondContact O-CB 3.22Å; F476-M480 PolarHBondContact O-N 3.19Å; F476-P492 HydrophobicContact CB-CB 4.28Å; F476-P492 HydrophobicContact CB-CG 4.19Å; F476-P492 HydrophobicContact CD2-CG 4Å
477	F	96.1	Very high	90.3	Very high	19 Å²	19	41.1 Å²	41.1	8%	0.083	23%	0.228	C	C	.	.	H	α-helix	trans	-56.7	-47.7	174.7	175.3	-105.2	0	0	0	111.3	K463 A464 E473 M480 N481 F530 Y534	K463-F477 HydrophobicContact CB-CZ 4.5Å; K463-F477 HydrophobicContact CG-CE1 4.41Å; K463-F477 HydrophobicContact CG-CE2 4.4Å; K463-F477 HydrophobicContact CG-CZ 3.87Å; A464-F477 HydrophobicContact CB-CB 3.61Å; A464-F477 HydrophobicContact CB-CD1 4.05Å; A464-F477 HydrophobicContact CB-CG 3.81Å; E473-F477 PolarHBondContact O-N 3.09Å; F477-M480 PolarHBondContact O-N 3.26Å; F477-N481 VanDerWaalsContact CE2-ND2 3.3Å; F477-N481 WeakPolarHBondContact CE2-ND2 3.37Å; F477-N481 WeakPolarHBondContact CZ-ND2 3.29Å; F477-N481 PolarHBondContact O-N 2.83Å; F477-N481 VanDerWaalsContact O-N 3.1Å; F477-N481 PolarHBondContact O-ND2 3.1Å; F477-F530 HydrophobicContact CD1-CE2 4.38Å; F477-F530 AromaticContact CD1-CZ 3.97Å; F477-F530 HydrophobicContact CD1-CZ 3.97Å; F477-F530 AromaticContact CE1-CE2 3.93Å; F477-F530 HydrophobicContact CE1-CE2 3.93Å; F477-F530 AromaticContact CE1-CZ 3.7Å; F477-F530 HydrophobicContact CE1-CZ 3.7Å; F477-Y534 HydrophobicContact CE1-CE2 4.2Å; F477-Y534 AromaticContact CE1-CZ 3.96Å; F477-Y534 AromaticContact CZ-CZ 3.99Å; F477-Y534 WeakPolarHBondContact CZ-OH 3.23Å
478	Y	97.5	Very high	91.3	Very high	1 Å²	1	40.2 Å²	40.2	0%	0.004	22%	0.22	C	C	.	.	H	α-helix	trans	-59.1	-49.5	174.8	-179.8	-91.1	0	0	0	112.2	I454 L456 P474 D475 F476 M480 N481 L482 F523 F526 H527 F530	I454-Y478 HydrophobicContact CD1-CD1 3.34Å; I454-Y478 HydrophobicContact CD1-CD2 4.13Å; I454-Y478 HydrophobicContact CD1-CE1 3.76Å; I454-Y478 HydrophobicContact CD1-CE2 4.48Å; I454-Y478 HydrophobicContact CD1-CG 3.55Å; I454-Y478 HydrophobicContact CG2-CE1 4.4Å; L456-Y478 HydrophobicContact CD2-CD2 3.52Å; L456-Y478 HydrophobicContact CD2-CE2 4.18Å; L456-Y478 HydrophobicContact CD2-CG 4.01Å; P474-Y478 WeakPolarHBondContact O-CB 3.44Å; P474-Y478 PolarHBondContact O-N 3.05Å; D475-Y478 PolarHBondContact O-N 3.47Å; F476-Y478 VanDerWaalsContact C-N 3.33Å; F476-Y478 PolarHBondContact O-N 3.09Å; Y478-M480 VanDerWaalsContact C-N 3.34Å; Y478-M480 PolarHBondContact O-N 2.93Å; Y478-N481 PolarHBondContact O-N 2.74Å; Y478-L482 PolarHBondContact O-N 3.37Å; Y478-F523 HydrophobicContact CE1-CE2 4.07Å; Y478-F526 HydrophobicContact CD1-CE1 4.47Å; Y478-F526 HydrophobicContact CD2-CE1 4.11Å; Y478-F526 HydrophobicContact CD2-CZ 4.5Å; Y478-F526 AromaticContact CE1-CE1 3.98Å; Y478-F526 HydrophobicContact CE1-CE1 3.98Å; Y478-F526 HydrophobicContact CE2-CD1 4.4Å; Y478-F526 AromaticContact CE2-CE1 3.58Å; Y478-F526 HydrophobicContact CE2-CE1 3.58Å; Y478-F526 HydrophobicContact CE2-CZ 4.32Å; Y478-F526 AromaticContact CZ-CE1 3.49Å; Y478-F526 VanDerWaalsContact CZ-CE1 3.49Å; Y478-H527 AromaticContact CZ-ND1 3.76Å; Y478-H527 PolarHBondContact OH-ND1 3.45Å; Y478-F530 AromaticContact CD2-CD1 3.69Å; Y478-F530 HydrophobicContact CD2-CD1 3.69Å; Y478-F530 HydrophobicContact CD2-CD2 4.29Å; Y478-F530 AromaticContact CD2-CE1 3.61Å; Y478-F530 HydrophobicContact CD2-CE1 3.61Å; Y478-F530 HydrophobicContact CD2-CE2 4.19Å; Y478-F530 HydrophobicContact CD2-CG 4.05Å; Y478-F530 AromaticContact CD2-CZ 3.86Å; Y478-F530 HydrophobicContact CD2-CZ 3.86Å; Y478-F530 HydrophobicContact CE2-CB 4.43Å; Y478-F530 AromaticContact CE2-CD1 3.81Å; Y478-F530 HydrophobicContact CE2-CD1 3.81Å; Y478-F530 HydrophobicContact CE2-CE1 4.21Å; Y478-F530 HydrophobicContact CE2-CG 4.02Å
479	A	97.2	Very high	92.4	Very high	1 Å²	1	34 Å²	34	1%	0.008	19%	0.191	C	C	.	.	H	α-helix	trans	-64.3	-35.4	-178.4	0	0	0	0	0	112.9	L61 D475 F476 L482 L483 V490 P492	L61-A479 HydrophobicContact CD1-CB 3.74Å; L61-A479 HydrophobicContact CD2-CB 4.38Å; D475-A479 VanDerWaalsContact O-CB 3.25Å; D475-A479 WeakPolarHBondContact O-CB 3.45Å; D475-A479 PolarHBondContact O-N 3.14Å; F476-A479 PolarHBondContact O-N 3.05Å; A479-L482 WeakPolarHBondContact O-CB 3.44Å; A479-L482 PolarHBondContact O-N 3.3Å; A479-L483 WeakPolarHBondContact O-CB 3.43Å; A479-L483 PolarHBondContact O-N 2.94Å; A479-V490 HydrophobicContact CB-CG2 3.81Å; A479-P492 HydrophobicContact CB-CB 4.39Å
480	M	96	Very high	93.8	Very high	40 Å²	40	28.2 Å²	28.2	20%	0.197	15%	0.151	C	C	.	.	H	α-helix	trans	-68.7	-43.3	175.8	-170.8	62.1	73.8	0	0	111.5	L61 R64 F476 F477 Y478 L482 L483 E484	L61-M480 HydrophobicContact CD2-CB 4.11Å; L61-M480 HydrophobicContact CD2-CE 3.71Å; L61-M480 HydrophobicContact CD2-SD 3.78Å; L61-M480 HydrophobicContact CG-CE 3.99Å; R64-M480 HydrophobicContact CG-SD 4.32Å; F476-M480 HydrophobicContact CE1-CB 4.48Å; F476-M480 HydrophobicContact CE1-CE 3.92Å; F476-M480 HydrophobicContact CE2-CE 4.26Å; F476-M480 HydrophobicContact CZ-CE 3.46Å; F476-M480 VanDerWaalsContact CZ-CE 3.46Å; F476-M480 WeakPolarHBondContact O-CB 3.22Å; F476-M480 PolarHBondContact O-N 3.19Å; F477-M480 PolarHBondContact O-N 3.26Å; Y478-M480 VanDerWaalsContact C-N 3.34Å; Y478-M480 PolarHBondContact O-N 2.93Å; M480-L482 VanDerWaalsContact C-N 3.31Å; M480-L482 PolarHBondContact O-N 3.19Å; M480-L483 PolarHBondContact O-N 3.42Å; M480-L483 HydrophobicContact SD-CD2 4.46Å; M480-E484 PolarHBondContact O-N 3.48Å
481	N	96.8	Very high	95.3	Very high	47 Å²	47	21.8 Å²	21.8	25%	0.251	12%	0.117	S	C	.	.	H	α-helix	trans	-63	-39	174.3	-81.2	-87	0	0	0	111.8	F477 Y478 S485 F526 F530	F477-N481 VanDerWaalsContact CE2-ND2 3.3Å; F477-N481 WeakPolarHBondContact CE2-ND2 3.37Å; F477-N481 WeakPolarHBondContact CZ-ND2 3.29Å; F477-N481 PolarHBondContact O-N 2.83Å; F477-N481 VanDerWaalsContact O-N 3.1Å; F477-N481 PolarHBondContact O-ND2 3.1Å; Y478-N481 PolarHBondContact O-N 2.74Å; N481-S485 WeakPolarHBondContact O-CB 3.48Å; N481-S485 PolarHBondContact O-N 3.39Å; N481-S485 PolarHBondContact O-OG 2.86Å; N481-F526 VanDerWaalsContact C-CE2 3.46Å; N481-F526 HydrophobicContact CB-CE2 3.89Å; N481-F526 HydrophobicContact CB-CZ 3.75Å; N481-F526 WeakPolarHBondContact O-CE2 3.3Å; N481-F530 HydrophobicContact CB-CD2 4.27Å; N481-F530 HydrophobicContact CB-CE2 4.02Å
482	L	98.3	Very high	96.3	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-59.1	-49.6	174.3	174.7	63.8	0	0	0	110.5	Y478 A479 M480 S485 T486 V488 V490 F523 F526	Y478-L482 PolarHBondContact O-N 3.37Å; A479-L482 WeakPolarHBondContact O-CB 3.44Å; A479-L482 PolarHBondContact O-N 3.3Å; M480-L482 VanDerWaalsContact C-N 3.31Å; M480-L482 PolarHBondContact O-N 3.19Å; L482-S485 PolarHBondContact O-N 2.86Å; L482-T486 HydrophobicContact CD1-CG2 4.12Å; L482-T486 WeakPolarHBondContact CD1-OG1 3.42Å; L482-T486 WeakPolarHBondContact O-CB 3.41Å; L482-T486 PolarHBondContact O-N 2.78Å; L482-T486 PolarHBondContact O-OG1 2.81Å; L482-V488 HydrophobicContact CD1-CB 4.06Å; L482-V488 HydrophobicContact CD1-CG1 4.42Å; L482-V488 HydrophobicContact CD2-CB 4.27Å; L482-V488 HydrophobicContact CD2-CG1 3.92Å; L482-V488 HydrophobicContact CG-CB 3.99Å; L482-V488 HydrophobicContact CG-CG1 4.21Å; L482-V490 HydrophobicContact CD2-CG1 4.19Å; L482-V490 HydrophobicContact CD2-CG2 3.98Å; L482-F523 HydrophobicContact CD1-CD2 4.01Å; L482-F523 HydrophobicContact CD2-CD2 3.81Å; L482-F523 HydrophobicContact CD2-CE2 4.12Å; L482-F526 VanDerWaalsContact CA-CZ 3.5Å; L482-F526 HydrophobicContact CB-CD1 3.94Å; L482-F526 HydrophobicContact CB-CE1 3.56Å; L482-F526 HydrophobicContact CB-CE2 4.44Å; L482-F526 HydrophobicContact CB-CZ 3.85Å; L482-F526 HydrophobicContact CD1-CB 4Å; L482-F526 HydrophobicContact CD1-CD1 3.39Å; L482-F526 HydrophobicContact CD1-CE1 3.97Å; L482-F526 HydrophobicContact CD1-CG 3.7Å; L482-F526 HydrophobicContact CG-CD1 4.21Å; L482-F526 HydrophobicContact CG-CE1 4.3Å
483	L	97.9	Very high	96.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-60.5	-51.1	179.3	176.9	61.4	0	0	0	111.9	L61 R64 A65 I68 A479 M480 S485 G487 V488 C489	L61-L483 HydrophobicContact CD2-CB 4.21Å; L61-L483 HydrophobicContact CD2-CD2 3.85Å; L61-L483 WeakPolarHBondContact O-CD2 3.35Å; R64-L483 HydrophobicContact CB-CD2 4.02Å; R64-L483 HydrophobicContact CG-CD2 4Å; A65-L483 HydrophobicContact CB-CD1 3.98Å; A65-L483 HydrophobicContact CB-CD2 4.15Å; I68-L483 HydrophobicContact CD1-CD1 4.16Å; I68-L483 HydrophobicContact CD1-CD2 4.32Å; I68-L483 HydrophobicContact CD1-CG 3.89Å; A479-L483 WeakPolarHBondContact O-CB 3.43Å; A479-L483 PolarHBondContact O-N 2.94Å; M480-L483 PolarHBondContact O-N 3.42Å; M480-L483 HydrophobicContact SD-CD2 4.46Å; L483-S485 VanDerWaalsContact C-N 3.3Å; L483-S485 PolarHBondContact O-N 2.87Å; L483-G487 VanDerWaalsContact O-CA 3.29Å; L483-G487 WeakPolarHBondContact O-CA 3.42Å; L483-G487 PolarHBondContact O-N 3.23Å; L483-V488 WeakPolarHBondContact CA-O 3.43Å; L483-C489 HydrophobicContact CD1-CB 4.07Å
484	E	97	Very high	96.7	Very high	64 Å²	64	16 Å²	16	30%	0.299	9%	0.089	S	C	.	.	H	α-helix	trans	-67	-29.9	-177.8	-72.1	-64.6	164.9	0	0	113.2	R64 K78 F80 M480	R64-E484 WeakPolarHBondContact CG-OE1 3Å; R64-E484 IonicContact CZ-OE1 3.98Å; R64-E484 IonicContact NE-OE1 3.95Å; R64-E484 PolarHBondContact NE-OE1 2.91Å; R64-E484 IonicContact NH2-OE1 3.35Å; R64-E484 PolarHBondContact NH2-OE1 2.91Å; R64-E484 IonicContact NH2-OE2 3.43Å; K78-E484 IonicContact NZ-OE2 2.76Å; F80-E484 WeakPolarHBondContact CE1-O 3.2Å; M480-E484 PolarHBondContact O-N 3.48Å
485	S	97.2	Very high	96.5	Very high	57 Å²	57	16.8 Å²	16.8	40%	0.399	10%	0.098	S	C	.	.	H	α-helix	trans	-89.2	-24.9	-177.5	-57	0	0	0	0	113.4	P79 N481 L482 L483	P79-S485 WeakPolarHBondContact CG-O 3.4Å; N481-S485 WeakPolarHBondContact O-CB 3.48Å; N481-S485 PolarHBondContact O-N 3.39Å; N481-S485 PolarHBondContact O-OG 2.86Å; L482-S485 PolarHBondContact O-N 2.86Å; L483-S485 VanDerWaalsContact C-N 3.3Å; L483-S485 PolarHBondContact O-N 2.87Å
486	T	97.9	Very high	96.4	Very high	11 Å²	11	16.8 Å²	16.8	7%	0.067	10%	0.098	C	C	.	.	H	α-helix	trans	-135.5	-13.8	-168.7	72.6	0	0	0	0	115.6	F80 L482 V488 R522 F526	F80-T486 WeakPolarHBondContact CB-O 3.29Å; F80-T486 VanDerWaalsContact CG-O 3.31Å; F80-T486 WeakPolarHBondContact CG-O 3.46Å; L482-T486 HydrophobicContact CD1-CG2 4.12Å; L482-T486 WeakPolarHBondContact CD1-OG1 3.42Å; L482-T486 WeakPolarHBondContact O-CB 3.41Å; L482-T486 PolarHBondContact O-N 2.78Å; L482-T486 PolarHBondContact O-OG1 2.81Å; T486-V488 PolarHBondContact O-N 3.34Å; T486-V488 WeakPolarHBondContact OG1-CB 3.47Å; T486-V488 WeakPolarHBondContact OG1-CG2 3.39Å; T486-V488 PolarHBondContact OG1-N 3.21Å; T486-V488 VanDerWaalsContact OG1-N 3.16Å; T486-R522 HydrophobicContact CG2-CB 4.42Å; T486-R522 WeakPolarHBondContact O-CD 3.22Å; T486-R522 PolarHBondContact O-NH1 3.16Å; T486-F526 HydrophobicContact CG2-CB 3.62Å; T486-F526 HydrophobicContact CG2-CD2 4.34Å; T486-F526 HydrophobicContact CG2-CG 4.19Å
487	G	97.3	Very high	96.4	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.101	C	C	.	.			trans	75.3	5.7	-173.3	0	0	0	0	0	113.5	F80 V83 I84 L483 C489	F80-G487 VanDerWaalsContact CD1-N 3.27Å; F80-G487 VanDerWaalsContact CE2-CA 3.41Å; F80-G487 VanDerWaalsContact CZ-CA 3.47Å; V83-G487 CarbonylContact C-O 3.52Å; V83-G487 WeakPolarHBondContact CA-O 3.35Å; V83-G487 WeakPolarHBondContact CG1-O 3.31Å; I84-G487 PolarHBondContact N-O 3.22Å; L483-G487 VanDerWaalsContact O-CA 3.29Å; L483-G487 WeakPolarHBondContact O-CA 3.42Å; L483-G487 PolarHBondContact O-N 3.23Å; G487-C489 PolarHBondContact O-N 3.01Å
488	V	97.9	Very high	96.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-81.4	117.6	177.2	174.8	0	0	0	0	109.6	I84 V86 L482 L483 T486 V490 F519 R522	I84-V488 HydrophobicContact CD1-CG2 4.45Å; V86-V488 HydrophobicContact CG2-CG1 3.93Å; L482-V488 HydrophobicContact CD1-CB 4.06Å; L482-V488 HydrophobicContact CD1-CG1 4.42Å; L482-V488 HydrophobicContact CD2-CB 4.27Å; L482-V488 HydrophobicContact CD2-CG1 3.92Å; L482-V488 HydrophobicContact CG-CB 3.99Å; L482-V488 HydrophobicContact CG-CG1 4.21Å; L483-V488 WeakPolarHBondContact CA-O 3.43Å; T486-V488 PolarHBondContact O-N 3.34Å; T486-V488 WeakPolarHBondContact OG1-CB 3.47Å; T486-V488 WeakPolarHBondContact OG1-CG2 3.39Å; T486-V488 PolarHBondContact OG1-N 3.21Å; T486-V488 VanDerWaalsContact OG1-N 3.16Å; V488-V490 HydrophobicContact CG1-CG1 4.23Å; V488-F519 HydrophobicContact CB-CD2 4.43Å; V488-F519 HydrophobicContact CG1-CD2 3.46Å; V488-F519 VanDerWaalsContact CG1-CD2 3.46Å; V488-F519 HydrophobicContact CG1-CE2 3.47Å; V488-F519 VanDerWaalsContact CG1-CE2 3.47Å; V488-F519 HydrophobicContact CG2-CD2 4.05Å; V488-R522 HydrophobicContact CG2-CB 4.01Å
489	C	96.7	Very high	96.2	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.131	C	C	.	.			trans	-101.7	107.8	178.8	-172.5	0	0	0	0	110.9	A65 V83 I84 V86 N87 L483 G487	A65-C489 HydrophobicContact CB-CB 4Å; V83-C489 HydrophobicContact CG1-CB 4.48Å; I84-C489 PolarHBondContact O-N 3.22Å; V86-C489 CarbonylContact C-O 3.51Å; V86-C489 VanDerWaalsContact CG2-O 3.27Å; V86-C489 WeakPolarHBondContact CG2-O 3.4Å; V86-C489 PolarHBondContact N-O 3.01Å; N87-C489 WeakPolarHBondContact CB-O 3.45Å; N87-C489 PolarHBondContact N-O 3.01Å; N87-C489 PolarHBondContact OD1-O 2.69Å; L483-C489 HydrophobicContact CD1-CB 4.07Å; G487-C489 PolarHBondContact O-N 3.01Å
490	V	96.5	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.			trans	-106.6	173.1	169.1	-62.4	0	0	0	0	110.3	V86 A479 L482 V488 F505	V86-V490 HydrophobicContact CG2-CG1 3.73Å; A479-V490 HydrophobicContact CB-CG2 3.81Å; L482-V490 HydrophobicContact CD2-CG1 4.19Å; L482-V490 HydrophobicContact CD2-CG2 3.98Å; V488-V490 HydrophobicContact CG1-CG1 4.23Å; V490-F505 HydrophobicContact CB-CB 4.22Å; V490-F505 HydrophobicContact CB-CD2 3.79Å; V490-F505 HydrophobicContact CB-CG 4.29Å; V490-F505 HydrophobicContact CG1-CD2 3.62Å; V490-F505 HydrophobicContact CG1-CE2 3.91Å; V490-F505 HydrophobicContact CG1-CG 4.45Å; V490-F505 HydrophobicContact CG2-CB 3.97Å; V490-F505 HydrophobicContact CG2-CD2 4.15Å; V490-F505 HydrophobicContact CG2-CG 4.19Å
491	I	95.4	Very high	96	Very high	3 Å²	3	32 Å²	32	2%	0.015	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.4	167.7	-52.3	-60.2	0	0	0	108.6	A56 V62 N87 F496 F505 R506	A56-I491 HydrophobicContact CB-CG2 4.46Å; V62-I491 HydrophobicContact CG2-CD1 3.76Å; N87-I491 HydrophobicContact CB-CD1 3.64Å; N87-I491 HydrophobicContact CB-CG1 3.67Å; I491-F496 HydrophobicContact CB-CE2 3.66Å; I491-F496 HydrophobicContact CB-CZ 3.88Å; I491-F496 HydrophobicContact CG1-CZ 4.45Å; I491-F496 HydrophobicContact CG2-CD2 4.3Å; I491-F496 HydrophobicContact CG2-CE2 3.31Å; I491-F496 HydrophobicContact CG2-CZ 3.65Å; I491-F505 CarbonylContact O-C 3.56Å; I491-F505 VanDerWaalsContact O-CA 3.23Å; I491-F505 WeakPolarHBondContact O-CA 3.36Å; I491-F505 WeakPolarHBondContact O-CB 3.45Å; I491-R506 PolarHBondContact N-O 2.87Å; I491-R506 PolarHBondContact O-N 3.47Å
492	P	96	Very high	96.1	Very high	10 Å²	10	30.3 Å²	30.3	7%	0.065	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	148.8	179	28.1	-35.2	0	0	0	111.1	L61 D475 F476 A479 S494 G495 F496	L61-P492 HydrophobicContact CD1-CG 3.93Å; D475-P492 HydrophobicContact CB-CB 4.2Å; F476-P492 HydrophobicContact CB-CB 4.28Å; F476-P492 HydrophobicContact CB-CG 4.19Å; F476-P492 HydrophobicContact CD2-CG 4Å; A479-P492 HydrophobicContact CB-CB 4.39Å; P492-S494 VanDerWaalsContact C-N 3.29Å; P492-S494 PolarHBondContact O-N 3.01Å; P492-G495 PolarHBondContact O-N 3.33Å; P492-G495 VanDerWaalsContact O-N 3.13Å; P492-F496 WeakPolarHBondContact O-CD2 3.46Å
493	G	96.3	Very high	96.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-63	-33.3	-175.7	0	0	0	0	0	113.5	D475 G495 F496 G497 Q498 H504	D475-G493 WeakPolarHBondContact OD2-CA 3.37Å; D475-G493 PolarHBondContact OD2-N 2.97Å; G493-G495 PolarHBondContact O-N 3.43Å; G493-G495 VanDerWaalsContact O-N 3.12Å; G493-F496 CarbonylContact O-C 3.55Å; G493-F496 WeakPolarHBondContact O-CA 3.39Å; G493-F496 WeakPolarHBondContact O-CB 3.5Å; G493-F496 PolarHBondContact O-N 3.42Å; G493-G497 PolarHBondContact O-N 2.72Å; G493-G497 VanDerWaalsContact O-N 3.11Å; G493-Q498 VanDerWaalsContact C-OE1 3.23Å; G493-Q498 VanDerWaalsContact CA-OE1 3.26Å; G493-H504 WeakPolarHBondContact CA-O 3.42Å; G493-H504 PolarHBondContact N-O 3.44Å
494	S	94.3	Very high	96.1	Very high	38 Å²	38	31.9 Å²	31.9	27%	0.266	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-53.1	-32.3	173	49.4	0	0	0	0	112.5	D475 P492 F496 G497	D475-S494 WeakPolarHBondContact OD1-CB 3.42Å; D475-S494 PolarHBondContact OD1-OG 3.31Å; D475-S494 WeakPolarHBondContact OD2-CB 3.21Å; D475-S494 PolarHBondContact OD2-N 2.65Å; D475-S494 PolarHBondContact OD2-OG 2.95Å; P492-S494 VanDerWaalsContact C-N 3.29Å; P492-S494 PolarHBondContact O-N 3.01Å; S494-F496 PolarHBondContact O-N 2.93Å; S494-G497 PolarHBondContact O-N 3.43Å; S494-G497 VanDerWaalsContact O-N 3.09Å
495	G	92.5	Very high	96.1	Very high	22 Å²	22	28.9 Å²	28.9	23%	0.227	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-66.7	-20.7	173.6	0	0	0	0	0	115.1	A56 P492 G493	A56-G495 WeakPolarHBondContact CB-O 3.14Å; P492-G495 PolarHBondContact O-N 3.33Å; P492-G495 VanDerWaalsContact O-N 3.13Å; G493-G495 PolarHBondContact O-N 3.43Å; G493-G495 VanDerWaalsContact O-N 3.12Å
496	F	95.2	Very high	96.1	Very high	1 Å²	1	26.4 Å²	26.4	0%	0.004	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-102.7	-4.8	174	-53.2	-93.4	0	0	0	111.5	P208 Q209 P211 P266 F451 I491 P492 G493 S494 R506	P208-F496 CarbonylContact C-O 3.54Å; P208-F496 WeakPolarHBondContact CA-O 3.47Å; P208-F496 HydrophobicContact CB-CB 3.77Å; Q209-F496 WeakPolarHBondContact CG-O 3.3Å; Q209-F496 PolarHBondContact N-O 3.48Å; Q209-F496 VanDerWaalsContact O-CD1 3.24Å; Q209-F496 WeakPolarHBondContact O-CD1 3.46Å; P211-F496 HydrophobicContact CG-CD1 4.18Å; P211-F496 HydrophobicContact CG-CE1 4.22Å; P266-F496 HydrophobicContact CB-CD1 3.97Å; P266-F496 HydrophobicContact CB-CE1 4.07Å; P266-F496 HydrophobicContact CB-CG 4.46Å; P266-F496 HydrophobicContact CG-CB 4.2Å; P266-F496 HydrophobicContact CG-CD1 3.79Å; P266-F496 HydrophobicContact CG-CE1 4.38Å; P266-F496 HydrophobicContact CG-CG 3.98Å; F451-F496 HydrophobicContact CE2-CB 4.27Å; F451-F496 AromaticContact CE2-CD2 3.62Å; F451-F496 HydrophobicContact CE2-CD2 3.62Å; F451-F496 HydrophobicContact CE2-CE2 4.16Å; F451-F496 HydrophobicContact CE2-CG 4.02Å; F451-F496 HydrophobicContact CZ-CB 4.15Å; F451-F496 HydrophobicContact CZ-CD2 4.17Å; F451-F496 HydrophobicContact CZ-CG 4.4Å; I491-F496 HydrophobicContact CB-CE2 3.66Å; I491-F496 HydrophobicContact CB-CZ 3.88Å; I491-F496 HydrophobicContact CG1-CZ 4.45Å; I491-F496 HydrophobicContact CG2-CD2 4.3Å; I491-F496 HydrophobicContact CG2-CE2 3.31Å; I491-F496 HydrophobicContact CG2-CZ 3.65Å; P492-F496 WeakPolarHBondContact O-CD2 3.46Å; G493-F496 CarbonylContact O-C 3.55Å; G493-F496 WeakPolarHBondContact O-CA 3.39Å; G493-F496 WeakPolarHBondContact O-CB 3.5Å; G493-F496 PolarHBondContact O-N 3.42Å; S494-F496 PolarHBondContact O-N 2.93Å; F496-R506 HydrophobicContact CD2-CB 4.44Å; F496-R506 HydrophobicContact CE1-CB 4.5Å; F496-R506 HydrophobicContact CE2-CB 3.56Å; F496-R506 HydrophobicContact CZ-CB 3.62Å; F496-R506 HydrophobicContact CZ-CG 4.19Å
497	G	94.2	Very high	96.1	Very high	23 Å²	23	25.9 Å²	25.9	24%	0.237	15%	0.148	C	C	.	.			trans	72.3	146.2	-163.3	0	0	0	0	0	111.5	I207 P208 G493 S494	I207-G497 VanDerWaalsContact CG2-C 3.41Å; P208-G497 WeakPolarHBondContact CA-O 3.48Å; P208-G497 WeakPolarHBondContact CB-O 3.47Å; G493-G497 PolarHBondContact O-N 2.72Å; G493-G497 VanDerWaalsContact O-N 3.11Å; S494-G497 PolarHBondContact O-N 3.43Å; S494-G497 VanDerWaalsContact O-N 3.09Å
498	Q	95.3	Very high	96	Very high	27 Å²	27	26 Å²	26	13%	0.126	15%	0.149	C	C	.	.			trans	-153.4	165.1	178.7	64.3	-159.9	2.7	0	0	109.3	D475 G493 T502 H504	D475-Q498 PolarHBondContact OD2-NE2 3.11Å; D475-Q498 PolarHBondContact OD2-OE1 3.39Å; D475-Q498 VanDerWaalsContact OD2-OE1 3.09Å; G493-Q498 VanDerWaalsContact C-OE1 3.23Å; G493-Q498 VanDerWaalsContact CA-OE1 3.26Å; Q498-T502 WeakPolarHBondContact CG-O 3.4Å; Q498-T502 PolarHBondContact NE2-O 3.25Å; Q498-H504 VanDerWaalsContact OE1-N 3.14Å
499	K	95.3	Very high	95.9	Very high	137 Å²	137	26 Å²	26	60%	0.596	15%	0.149	S	C	*	.			trans	-68	140	176.4	-173.7	174.7	-179.9	176.1	0	109.6	Y228 G501 T502	Y228-K499 HydrophobicContact CD1-CB 4.32Å; Y228-K499 HydrophobicContact CE1-CB 4.25Å; K499-G501 PolarHBondContact O-N 2.68Å; K499-T502 HydrophobicContact CB-CG2 4.14Å; K499-T502 PolarHBondContact N-OG1 2.76Å; K499-T502 WeakPolarHBondContact O-CB 3.08Å; K499-T502 PolarHBondContact O-N 3.07Å; K499-T502 PolarHBondContact O-OG1 3.44Å
500	E	94.1	Very high	95.7	Very high	185 Å²	185	26.2 Å²	26.2	86%	0.864	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54	138.2	176.5	-172.2	176.6	-179.5	0	0	111.4	T502	E500-T502 PolarHBondContact O-N 2.93Å
501	G	94.9	Very high	95.5	Very high	48 Å²	48	26.3 Å²	26.3	50%	0.495	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	3.5	-176.5	0	0	0	0	0	114.7	K499	K499-G501 PolarHBondContact O-N 2.68Å
502	T	97.3	Very high	95.1	Very high	11 Å²	11	27.2 Å²	27.2	7%	0.067	16%	0.157	C	C	.	.			trans	-112.5	147.3	170.8	73.5	0	0	0	0	110.2	Q498 K499 E500 H504	Q498-T502 WeakPolarHBondContact CG-O 3.4Å; Q498-T502 PolarHBondContact NE2-O 3.25Å; K499-T502 HydrophobicContact CB-CG2 4.14Å; K499-T502 PolarHBondContact N-OG1 2.76Å; K499-T502 WeakPolarHBondContact O-CB 3.08Å; K499-T502 PolarHBondContact O-N 3.07Å; K499-T502 PolarHBondContact O-OG1 3.44Å; E500-T502 PolarHBondContact O-N 2.93Å; T502-H504 PolarHBondContact OG1-CE1 3.19Å
503	Y	98.2	Very high	94.7	Very high	31 Å²	31	30 Å²	30	12%	0.122	18%	0.175	C	C	.	.			trans	-136	127.3	-174.1	-55.1	-65.4	0	0	0	108.9	R453 I454 L456 I461 P474 D475	R453-Y503 WeakPolarHBondContact CA-O 3.41Å; R453-Y503 WeakPolarHBondContact CG-O 3.45Å; I454-Y503 WeakPolarHBondContact CG1-O 3.37Å; I454-Y503 PolarHBondContact N-O 3.07Å; L456-Y503 HydrophobicContact CB-CD2 4.1Å; L456-Y503 HydrophobicContact CB-CE2 4.49Å; L456-Y503 HydrophobicContact CD1-CD1 4.41Å; L456-Y503 HydrophobicContact CD1-CD2 3.94Å; L456-Y503 HydrophobicContact CD1-CG 3.85Å; L456-Y503 HydrophobicContact CG-CD2 4.11Å; L456-Y503 HydrophobicContact CG-CG 4.35Å; I461-Y503 HydrophobicContact CD1-CE2 3.55Å; I461-Y503 HydrophobicContact CG1-CE2 3.89Å; P474-Y503 HydrophobicContact CB-CD1 3.83Å; P474-Y503 HydrophobicContact CB-CE1 3.54Å; P474-Y503 HydrophobicContact CB-CG 4.46Å; P474-Y503 HydrophobicContact CG-CD1 4.2Å; P474-Y503 HydrophobicContact CG-CE1 3.45Å; P474-Y503 VanDerWaalsContact CG-CE1 3.45Å; D475-Y503 HydrophobicContact CB-CD1 4.48Å
504	H	98.4	Very high	94.3	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.005	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-132.6	171.8	-174.7	-60.9	81.6	0	0	0	111	E231 W235 F451 P452 R453 D475 G493 Q498 T502	E231-H504 VanDerWaalsContact CD-NE2 3.34Å; E231-H504 IonicContact OE1-CD2 3.59Å; E231-H504 IonicContact OE1-CE1 2.6Å; E231-H504 IonicContact OE1-NE2 3.91Å; E231-H504 PolarHBondContact OE1-NE2 3.4Å; E231-H504 IonicContact OE2-CE1 3.26Å; E231-H504 IonicContact OE2-NE2 3.98Å; E231-H504 PolarHBondContact OE2-NE2 3Å; W235-H504 AromaticContact CH2-NE2 3.63Å; W235-H504 AromaticContact CZ2-NE2 3.76Å; F451-H504 HydrophobicContact CD1-CB 3.88Å; F451-H504 AromaticContact CD1-CD2 3.85Å; F451-H504 AromaticContact CD1-CG 3.97Å; F451-H504 HydrophobicContact CE1-CB 3.42Å; F451-H504 VanDerWaalsContact CE1-CB 3.42Å; F451-H504 AromaticContact CE1-CD2 3.95Å; F451-H504 AromaticContact CE1-CG 3.62Å; F451-H504 HydrophobicContact CE2-CB 4.26Å; F451-H504 HydrophobicContact CG-CB 4.48Å; F451-H504 HydrophobicContact CZ-CB 3.65Å; P452-H504 VanDerWaalsContact O-CA 3.24Å; P452-H504 WeakPolarHBondContact O-CA 3.46Å; P452-H504 WeakPolarHBondContact O-CB 3.48Å; R453-H504 VanDerWaalsContact CA-CD2 3.45Å; R453-H504 WeakPolarHBondContact CA-CD2 3.37Å; R453-H504 WeakPolarHBondContact CB-NE2 3.3Å; D475-H504 WeakPolarHBondContact CB-O 3.33Å; G493-H504 WeakPolarHBondContact CA-O 3.42Å; G493-H504 PolarHBondContact N-O 3.44Å; Q498-H504 VanDerWaalsContact OE1-N 3.14Å; T502-H504 PolarHBondContact OG1-CE1 3.19Å
505	F	97.8	Very high	94.2	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	153.7	159.2	65.1	-90.5	0	0	0	109.4	L433 F451 P452 I454 V490 I491 T507 F523	L433-F505 HydrophobicContact CD2-CZ 4.26Å; F451-F505 WeakPolarHBondContact CA-O 3.37Å; P452-F505 HydrophobicContact CB-CE1 4.25Å; P452-F505 HydrophobicContact CB-CZ 4.23Å; P452-F505 WeakPolarHBondContact CD-O 3.48Å; P452-F505 HydrophobicContact CG-CD1 4Å; P452-F505 HydrophobicContact CG-CD2 3.9Å; P452-F505 HydrophobicContact CG-CE1 3.56Å; P452-F505 HydrophobicContact CG-CE2 3.46Å; P452-F505 VanDerWaalsContact CG-CE2 3.46Å; P452-F505 HydrophobicContact CG-CG 4.17Å; P452-F505 HydrophobicContact CG-CZ 3.28Å; P452-F505 PolarHBondContact O-N 3.06Å; P452-F505 VanDerWaalsContact O-N 3.15Å; I454-F505 HydrophobicContact CG2-CD1 3.89Å; I454-F505 HydrophobicContact CG2-CE1 3.64Å; V490-F505 HydrophobicContact CB-CB 4.22Å; V490-F505 HydrophobicContact CB-CD2 3.79Å; V490-F505 HydrophobicContact CB-CG 4.29Å; V490-F505 HydrophobicContact CG1-CD2 3.62Å; V490-F505 HydrophobicContact CG1-CE2 3.91Å; V490-F505 HydrophobicContact CG1-CG 4.45Å; V490-F505 HydrophobicContact CG2-CB 3.97Å; V490-F505 HydrophobicContact CG2-CD2 4.15Å; V490-F505 HydrophobicContact CG2-CG 4.19Å; I491-F505 CarbonylContact O-C 3.56Å; I491-F505 VanDerWaalsContact O-CA 3.23Å; I491-F505 WeakPolarHBondContact O-CA 3.36Å; I491-F505 WeakPolarHBondContact O-CB 3.45Å; F505-T507 HydrophobicContact CE2-CG2 4.1Å; F505-F523 AromaticContact CE1-CE2 3.69Å; F505-F523 HydrophobicContact CE1-CE2 3.69Å; F505-F523 AromaticContact CE1-CZ 3.59Å; F505-F523 HydrophobicContact CE1-CZ 3.59Å; F505-F523 HydrophobicContact CE2-CE2 4.42Å; F505-F523 HydrophobicContact CZ-CD2 4.41Å; F505-F523 HydrophobicContact CZ-CE1 4.39Å; F505-F523 AromaticContact CZ-CE2 3.54Å; F505-F523 HydrophobicContact CZ-CE2 3.54Å; F505-F523 AromaticContact CZ-CZ 3.54Å; F505-F523 HydrophobicContact CZ-CZ 3.54Å
506	R	97.5	Very high	94.2	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.015	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	132.4	169	-169.1	-169.3	74.7	-174.3	-1.1	110.4	V57 N87 P266 Y449 A450 F451 I491 F496	V57-R506 VanDerWaalsContact CG1-NH2 3.35Å; N87-R506 PolarHBondContact O-NH2 2.64Å; P266-R506 HydrophobicContact CB-CB 4.22Å; P266-R506 VanDerWaalsContact CB-CD 3.43Å; P266-R506 HydrophobicContact CB-CG 3.69Å; Y449-R506 HydrophobicContact CD1-CG 4.31Å; Y449-R506 HydrophobicContact CG-CG 4.3Å; A450-R506 WeakPolarHBondContact O-CA 3.3Å; F451-R506 HydrophobicContact CD2-CB 3.81Å; F451-R506 HydrophobicContact CD2-CG 4.34Å; F451-R506 HydrophobicContact CE2-CB 4.09Å; I491-R506 PolarHBondContact N-O 2.87Å; I491-R506 PolarHBondContact O-N 3.47Å; F496-R506 HydrophobicContact CD2-CB 4.44Å; F496-R506 HydrophobicContact CE1-CB 4.5Å; F496-R506 HydrophobicContact CE2-CB 3.56Å; F496-R506 HydrophobicContact CZ-CB 3.62Å; F496-R506 HydrophobicContact CZ-CG 4.19Å
507	T	97	Very high	94.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	154.4	167	-172.6	0	0	0	0	110.7	V86 I429 L433 Y449 A450 F505 F519	V86-T507 WeakPolarHBondContact CB-OG1 3.39Å; V86-T507 CarbonylContact O-C 3.6Å; V86-T507 WeakPolarHBondContact O-CA 3.36Å; I429-T507 HydrophobicContact CD1-CG2 4.16Å; I429-T507 HydrophobicContact CG1-CG2 4.14Å; L433-T507 HydrophobicContact CD1-CG2 4.27Å; Y449-T507 VanDerWaalsContact CA-O 3.3Å; Y449-T507 WeakPolarHBondContact CA-O 3.36Å; A450-T507 HydrophobicContact CB-CG2 3.95Å; A450-T507 PolarHBondContact N-O 2.94Å; A450-T507 PolarHBondContact O-N 3.1Å; F505-T507 HydrophobicContact CE2-CG2 4.1Å; T507-F519 WeakPolarHBondContact OG1-CE1 3.38Å
508	T	95.5	Very high	94.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.012	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	148.5	175.3	-171.7	0	0	0	0	111.9	V86 I88 M448 L510 P511	V86-T508 HydrophobicContact CB-CG2 4.44Å; V86-T508 WeakPolarHBondContact O-CG2 3.28Å; V86-T508 PolarHBondContact O-N 2.99Å; I88-T508 WeakPolarHBondContact O-CB 3.32Å; I88-T508 WeakPolarHBondContact O-CG2 3.47Å; I88-T508 PolarHBondContact O-OG1 3.07Å; M448-T508 WeakPolarHBondContact O-CA 3.25Å; M448-T508 PolarHBondContact O-OG1 3.25Å; T508-L510 VanDerWaalsContact C-N 3.3Å; T508-L510 HydrophobicContact CG2-CB 4.27Å; T508-L510 WeakPolarHBondContact OG1-CD1 3.31Å; T508-L510 VanDerWaalsContact OG1-CG 3.23Å; T508-L510 WeakPolarHBondContact OG1-CG 3.35Å; T508-L510 PolarHBondContact OG1-N 2.97Å; T508-P511 HydrophobicContact CG2-CG 4.29Å; T508-P511 WeakPolarHBondContact O-CD 3.42Å
509	I	94.7	Very high	94.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	22%	0.219	C	C	.	.	S	Bend	trans	-85.3	-5.8	174.5	77.8	178.6	0	0	0	112.1	Y301 L422 K425 A426 I429 V444 M448	Y301-I509 HydrophobicContact CE2-CD1 3.67Å; L422-I509 HydrophobicContact CD2-CD1 4.37Å; L422-I509 HydrophobicContact CD2-CG1 4.34Å; K425-I509 HydrophobicContact CB-CB 4.39Å; K425-I509 VanDerWaalsContact CB-O 3.3Å; K425-I509 WeakPolarHBondContact CB-O 3.39Å; K425-I509 WeakPolarHBondContact CD-O 3.28Å; A426-I509 HydrophobicContact CB-CD1 3.92Å; I429-I509 HydrophobicContact CG2-CB 4.4Å; I429-I509 HydrophobicContact CG2-CG2 3.68Å; V444-I509 HydrophobicContact CG1-CG2 4.28Å; M448-I509 PolarHBondContact O-N 2.94Å
510	L	93.5	Very high	94.3	Very high	4 Å²	4	35 Å²	35	2%	0.021	20%	0.196	C	C	.	.			trans	-67.4	-29.8	-170.4	-64.9	170.4	0	0	0	117.1	A91 M94 L422 K425 M448 T508	A91-L510 HydrophobicContact CB-CD2 4.31Å; M94-L510 HydrophobicContact CB-CB 3.63Å; M94-L510 HydrophobicContact CG-CB 3.76Å; M94-L510 HydrophobicContact CG-CD1 4.26Å; L422-L510 HydrophobicContact CD2-CD2 3.64Å; K425-L510 PolarHBondContact NZ-O 3.16Å; M448-L510 HydrophobicContact CE-CD2 4.33Å; M448-L510 HydrophobicContact CG-CD2 4.35Å; M448-L510 HydrophobicContact SD-CD1 4.39Å; M448-L510 HydrophobicContact SD-CD2 4.19Å; T508-L510 VanDerWaalsContact C-N 3.3Å; T508-L510 HydrophobicContact CG2-CB 4.27Å; T508-L510 WeakPolarHBondContact OG1-CD1 3.31Å; T508-L510 VanDerWaalsContact OG1-CG 3.23Å; T508-L510 WeakPolarHBondContact OG1-CG 3.35Å; T508-L510 PolarHBondContact OG1-N 2.97Å
511	P	91.3	Very high	94.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.013	18%	0.177	C	C	.	.	S	Bend	trans	-53.2	147.3	-172.9	-28.2	35.1	0	0	0	113.8	V86 M94 K425 T508 V515	V86-P511 HydrophobicContact CG1-CG 3.83Å; M94-P511 HydrophobicContact SD-CG 4.31Å; K425-P511 WeakPolarHBondContact CD-O 3.44Å; K425-P511 WeakPolarHBondContact CE-O 3.39Å; K425-P511 PolarHBondContact NZ-O 3.18Å; K425-P511 VanDerWaalsContact NZ-O 3.13Å; T508-P511 HydrophobicContact CG2-CG 4.29Å; T508-P511 WeakPolarHBondContact O-CD 3.42Å; P511-V515 HydrophobicContact CB-CB 4.11Å; P511-V515 HydrophobicContact CB-CG1 3.93Å
512	P	88.5	Confident	94.6	Very high	21 Å²	21	30.3 Å²	30.3	14%	0.136	16%	0.16	C	C	.	.			trans	-65.9	158.9	172.2	29.3	-35.7	0	0	0	110.9	T514 V515 F516	P512-T514 VanDerWaalsContact C-N 3.27Å; P512-T514 PolarHBondContact O-N 2.79Å; P512-T514 VanDerWaalsContact O-N 3.12Å; P512-V515 HydrophobicContact CG-CB 4Å; P512-V515 HydrophobicContact CG-CG2 3.71Å; P512-V515 PolarHBondContact O-N 2.88Å; P512-F516 WeakPolarHBondContact O-CB 3.45Å; P512-F516 PolarHBondContact O-N 3Å
513	P	86.4	Confident	94.6	Very high	69 Å²	69	29.8 Å²	29.8	45%	0.448	16%	0.157	S	C	.	.	H	α-helix	trans	-51.4	-40.6	-174.8	-30.2	36	0	0	0	114.6	V515 F516 H517	P513-V515 PolarHBondContact O-N 3.5Å; P513-F516 WeakPolarHBondContact O-CB 3.45Å; P513-F516 PolarHBondContact O-N 3.12Å; P513-H517 PolarHBondContact O-CD2 3.43Å; P513-H517 PolarHBondContact O-N 2.96Å
514	T	88.4	Confident	94.6	Very high	111 Å²	111	30 Å²	30	68%	0.681	16%	0.163	S	C	*	.	H	α-helix	trans	-62.5	-45.2	178.9	51.4	0	0	0	0	112.7	P512 F516 D518	P512-T514 VanDerWaalsContact C-N 3.27Å; P512-T514 PolarHBondContact O-N 2.79Å; P512-T514 VanDerWaalsContact O-N 3.12Å; T514-F516 VanDerWaalsContact C-N 3.35Å; T514-D518 PolarHBondContact O-N 3.38Å
515	V	92.3	Very high	94.6	Very high	43 Å²	43	34.6 Å²	34.6	26%	0.261	18%	0.183	S	C	.	.	H	α-helix	trans	-70.7	-34.8	176.5	178.1	0	0	0	0	110.7	I84 P511 P512 P513 F519	I84-V515 HydrophobicContact CG2-CG1 3.66Å; P511-V515 HydrophobicContact CB-CB 4.11Å; P511-V515 HydrophobicContact CB-CG1 3.93Å; P512-V515 HydrophobicContact CG-CB 4Å; P512-V515 HydrophobicContact CG-CG2 3.71Å; P512-V515 PolarHBondContact O-N 2.88Å; P513-V515 PolarHBondContact O-N 3.5Å; V515-F519 WeakPolarHBondContact O-CB 3.27Å; V515-F519 PolarHBondContact O-N 3.13Å
516	F	93	Very high	94.6	Very high	13 Å²	13	35.1 Å²	35.1	6%	0.057	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-49	174.8	173.8	-91.4	0	0	0	111.9	M428 I429 A432 P512 P513 T514 D518 F519 I520	M428-F516 HydrophobicContact CB-CE1 4.19Å; M428-F516 HydrophobicContact CB-CE2 4.46Å; M428-F516 HydrophobicContact CB-CZ 3.9Å; M428-F516 HydrophobicContact CE-CD1 3.76Å; M428-F516 HydrophobicContact CE-CE1 3.77Å; I429-F516 HydrophobicContact CB-CE2 3.86Å; I429-F516 HydrophobicContact CD1-CD2 4.39Å; I429-F516 HydrophobicContact CD1-CE2 3.61Å; I429-F516 HydrophobicContact CD1-CZ 4.46Å; I429-F516 HydrophobicContact CG1-CE2 4.3Å; A432-F516 HydrophobicContact CB-CE1 4.44Å; A432-F516 HydrophobicContact CB-CZ 3.87Å; P512-F516 WeakPolarHBondContact O-CB 3.45Å; P512-F516 PolarHBondContact O-N 3Å; P513-F516 WeakPolarHBondContact O-CB 3.45Å; P513-F516 PolarHBondContact O-N 3.12Å; T514-F516 VanDerWaalsContact C-N 3.35Å; F516-D518 PolarHBondContact O-N 2.89Å; F516-F519 WeakPolarHBondContact O-CB 3.29Å; F516-F519 PolarHBondContact O-N 3.3Å; F516-I520 HydrophobicContact CD1-CG1 4.29Å; F516-I520 HydrophobicContact CD2-CG1 4.45Å; F516-I520 HydrophobicContact CE1-CG1 3.8Å; F516-I520 HydrophobicContact CE2-CD1 4.19Å; F516-I520 HydrophobicContact CE2-CG1 3.99Å; F516-I520 HydrophobicContact CZ-CD1 4.08Å; F516-I520 HydrophobicContact CZ-CG1 3.63Å; F516-I520 WeakPolarHBondContact O-CG1 3.32Å; F516-I520 PolarHBondContact O-N 3.43Å
517	H	94.1	Very high	94.6	Very high	110 Å²	110	35 Å²	35	51%	0.509	19%	0.185	S	C	.	.	H	α-helix	trans	-62.5	-42.9	178.8	-70	-59.3	0	0	0	112	P513 F519 I520 E521	P513-H517 PolarHBondContact O-CD2 3.43Å; P513-H517 PolarHBondContact O-N 2.96Å; H517-F519 VanDerWaalsContact C-N 3.34Å; H517-F519 PolarHBondContact O-N 3.06Å; H517-I520 PolarHBondContact O-N 3.18Å; H517-E521 WeakPolarHBondContact O-CB 3.49Å; H517-E521 PolarHBondContact O-N 3.34Å
518	D	95.3	Very high	94.7	Very high	50 Å²	50	41.4 Å²	41.4	27%	0.267	22%	0.215	S	C	.	.	H	α-helix	trans	-62.6	-40.6	174.8	-170.8	17.5	0	0	0	111.5	I84 T514 F516 R522	I84-D518 HydrophobicContact CD1-CB 4.1Å; T514-D518 PolarHBondContact O-N 3.38Å; F516-D518 PolarHBondContact O-N 2.89Å; D518-R522 WeakPolarHBondContact O-CB 3.41Å; D518-R522 VanDerWaalsContact O-CG 3.24Å; D518-R522 WeakPolarHBondContact O-CG 3.41Å; D518-R522 PolarHBondContact O-N 2.87Å; D518-R522 IonicContact OD1-CZ 3.57Å; D518-R522 IonicContact OD1-NE 3.64Å; D518-R522 PolarHBondContact OD1-NE 3.04Å; D518-R522 IonicContact OD1-NH2 2.79Å; D518-R522 PolarHBondContact OD1-NH2 3.09Å; D518-R522 IonicContact OD2-CZ 3.26Å; D518-R522 IonicContact OD2-NE 2.74Å; D518-R522 PolarHBondContact OD2-NE 2.9Å; D518-R522 IonicContact OD2-NH2 2.9Å; D518-R522 PolarHBondContact OD2-NH2 2.88Å
519	F	96	Very high	94.8	Very high	1 Å²	1	49.3 Å²	49.3	0%	0.004	24%	0.244	C	C	.	.	H	α-helix	trans	-59	-53.8	173.3	165.2	-138.2	0	0	0	111.9	I84 V86 I429 V488 T507 V515 F516 H517 E521 R522 F523	I84-F519 HydrophobicContact CD1-CB 4.32Å; I84-F519 HydrophobicContact CG2-CB 4.27Å; V86-F519 HydrophobicContact CB-CE1 4.49Å; V86-F519 HydrophobicContact CG1-CB 4.36Å; V86-F519 HydrophobicContact CG1-CD1 3.75Å; V86-F519 HydrophobicContact CG1-CD2 4.36Å; V86-F519 HydrophobicContact CG1-CE1 4.11Å; V86-F519 HydrophobicContact CG1-CG 3.89Å; V86-F519 HydrophobicContact CG2-CD2 4.34Å; V86-F519 HydrophobicContact CG2-CE1 4.44Å; V86-F519 HydrophobicContact CG2-CE2 4.1Å; V86-F519 HydrophobicContact CG2-CZ 4.15Å; I429-F519 HydrophobicContact CD1-CD1 4.44Å; I429-F519 HydrophobicContact CD1-CE1 3.75Å; V488-F519 HydrophobicContact CB-CD2 4.43Å; V488-F519 HydrophobicContact CG1-CD2 3.46Å; V488-F519 VanDerWaalsContact CG1-CD2 3.46Å; V488-F519 HydrophobicContact CG1-CE2 3.47Å; V488-F519 VanDerWaalsContact CG1-CE2 3.47Å; V488-F519 HydrophobicContact CG2-CD2 4.05Å; T507-F519 WeakPolarHBondContact OG1-CE1 3.38Å; V515-F519 WeakPolarHBondContact O-CB 3.27Å; V515-F519 PolarHBondContact O-N 3.13Å; F516-F519 WeakPolarHBondContact O-CB 3.29Å; F516-F519 PolarHBondContact O-N 3.3Å; H517-F519 VanDerWaalsContact C-N 3.34Å; H517-F519 PolarHBondContact O-N 3.06Å; F519-E521 VanDerWaalsContact C-N 3.34Å; F519-E521 PolarHBondContact O-N 2.96Å; F519-R522 PolarHBondContact O-N 3.24Å; F519-F523 HydrophobicContact CD2-CB 4.12Å; F519-F523 HydrophobicContact CE2-CB 3.85Å; F519-F523 HydrophobicContact CE2-CD2 4.22Å; F519-F523 HydrophobicContact CE2-CG 4.16Å; F519-F523 WeakPolarHBondContact O-CB 3.44Å; F519-F523 PolarHBondContact O-N 2.91Å
520	I	97	Very high	94.9	Very high	24 Å²	24	49.5 Å²	49.5	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-42.9	-178.6	-65.1	-58.3	0	0	0	110.9	I429 A432 L433 F516 H517 F523 S524	I429-I520 HydrophobicContact CD1-CD1 4.05Å; A432-I520 HydrophobicContact CB-CD1 3.76Å; A432-I520 HydrophobicContact CB-CG1 3.93Å; A432-I520 HydrophobicContact CB-CG2 4.15Å; L433-I520 HydrophobicContact CD2-CD1 4.43Å; F516-I520 HydrophobicContact CD1-CG1 4.29Å; F516-I520 HydrophobicContact CD2-CG1 4.45Å; F516-I520 HydrophobicContact CE1-CG1 3.8Å; F516-I520 HydrophobicContact CE2-CD1 4.19Å; F516-I520 HydrophobicContact CE2-CG1 3.99Å; F516-I520 HydrophobicContact CZ-CD1 4.08Å; F516-I520 HydrophobicContact CZ-CG1 3.63Å; F516-I520 WeakPolarHBondContact O-CG1 3.32Å; F516-I520 PolarHBondContact O-N 3.43Å; H517-I520 PolarHBondContact O-N 3.18Å; I520-F523 PolarHBondContact O-N 2.87Å; I520-S524 VanDerWaalsContact O-CB 3.31Å; I520-S524 WeakPolarHBondContact O-CB 3.38Å; I520-S524 PolarHBondContact O-N 3.12Å; I520-S524 PolarHBondContact O-OG 3.33Å
521	E	96.8	Very high	95.1	Very high	99 Å²	99	50.8 Å²	50.8	46%	0.463	25%	0.251	S	S	.	.	H	α-helix	trans	-61.4	-50	178.8	-174.2	-174.2	168.1	0	0	111.9	H517 F519 K525	H517-E521 WeakPolarHBondContact O-CB 3.49Å; H517-E521 PolarHBondContact O-N 3.34Å; F519-E521 VanDerWaalsContact C-N 3.34Å; F519-E521 PolarHBondContact O-N 2.96Å; E521-K525 HydrophobicContact CG-CD 4.23Å; E521-K525 WeakPolarHBondContact O-CB 3.19Å; E521-K525 WeakPolarHBondContact O-CG 3.19Å; E521-K525 PolarHBondContact O-N 3.45Å; E521-K525 VanDerWaalsContact O-N 3.1Å; E521-K525 IonicContact OE1-NZ 3.95Å; E521-K525 PolarHBondContact OE1-NZ 3.03Å
522	R	97.6	Very high	95.4	Very high	36 Å²	36	55.4 Å²	55.4	14%	0.136	28%	0.28	C	S	.	.	H	α-helix	trans	-62.9	-44	178.6	-72.1	-175.4	-163	-171.3	13.1	111.7	S82 T486 V488 D518 F519 F526	S82-R522 PolarHBondContact O-NH1 3.26Å; S82-R522 PolarHBondContact OG-NH2 3.02Å; T486-R522 HydrophobicContact CG2-CB 4.42Å; T486-R522 WeakPolarHBondContact O-CD 3.22Å; T486-R522 PolarHBondContact O-NH1 3.16Å; V488-R522 HydrophobicContact CG2-CB 4.01Å; D518-R522 WeakPolarHBondContact O-CB 3.41Å; D518-R522 VanDerWaalsContact O-CG 3.24Å; D518-R522 WeakPolarHBondContact O-CG 3.41Å; D518-R522 PolarHBondContact O-N 2.87Å; D518-R522 IonicContact OD1-CZ 3.57Å; D518-R522 IonicContact OD1-NE 3.64Å; D518-R522 PolarHBondContact OD1-NE 3.04Å; D518-R522 IonicContact OD1-NH2 2.79Å; D518-R522 PolarHBondContact OD1-NH2 3.09Å; D518-R522 IonicContact OD2-CZ 3.26Å; D518-R522 IonicContact OD2-NE 2.74Å; D518-R522 PolarHBondContact OD2-NE 2.9Å; D518-R522 IonicContact OD2-NH2 2.9Å; D518-R522 PolarHBondContact OD2-NH2 2.88Å; F519-R522 PolarHBondContact O-N 3.24Å; R522-F526 WeakPolarHBondContact O-CB 3.42Å; R522-F526 PolarHBondContact O-N 2.71Å
523	F	98.2	Very high	95.7	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.2	-48.6	179.3	178.4	-94.5	0	0	0	111.4	L433 I436 V439 Y478 L482 F505 F519 I520 K525 F526 H527	L433-F523 HydrophobicContact CD2-CD1 4.21Å; L433-F523 HydrophobicContact CD2-CE1 3.93Å; I436-F523 HydrophobicContact CD1-CD1 3.44Å; I436-F523 VanDerWaalsContact CD1-CD1 3.44Å; I436-F523 HydrophobicContact CD1-CE1 3.59Å; V439-F523 HydrophobicContact CG2-CE1 4.16Å; V439-F523 HydrophobicContact CG2-CZ 4.35Å; Y478-F523 HydrophobicContact CE1-CE2 4.07Å; L482-F523 HydrophobicContact CD1-CD2 4.01Å; L482-F523 HydrophobicContact CD2-CD2 3.81Å; L482-F523 HydrophobicContact CD2-CE2 4.12Å; F505-F523 AromaticContact CE1-CE2 3.69Å; F505-F523 HydrophobicContact CE1-CE2 3.69Å; F505-F523 AromaticContact CE1-CZ 3.59Å; F505-F523 HydrophobicContact CE1-CZ 3.59Å; F505-F523 HydrophobicContact CE2-CE2 4.42Å; F505-F523 HydrophobicContact CZ-CD2 4.41Å; F505-F523 HydrophobicContact CZ-CE1 4.39Å; F505-F523 AromaticContact CZ-CE2 3.54Å; F505-F523 HydrophobicContact CZ-CE2 3.54Å; F505-F523 AromaticContact CZ-CZ 3.54Å; F505-F523 HydrophobicContact CZ-CZ 3.54Å; F519-F523 HydrophobicContact CD2-CB 4.12Å; F519-F523 HydrophobicContact CE2-CB 3.85Å; F519-F523 HydrophobicContact CE2-CD2 4.22Å; F519-F523 HydrophobicContact CE2-CG 4.16Å; F519-F523 WeakPolarHBondContact O-CB 3.44Å; F519-F523 PolarHBondContact O-N 2.91Å; I520-F523 PolarHBondContact O-N 2.87Å; F523-K525 PolarHBondContact O-N 3.42Å; F523-F526 PolarHBondContact O-N 3.08Å; F523-H527 HydrophobicContact CE1-CB 4.47Å; F523-H527 VanDerWaalsContact O-CB 3.26Å; F523-H527 WeakPolarHBondContact O-CB 3.39Å; F523-H527 PolarHBondContact O-N 2.98Å
524	S	97.8	Very high	96.2	Very high	37 Å²	37	59 Å²	59	26%	0.259	29%	0.29	S	S	.	.	H	α-helix	trans	-58.5	-49.1	178.2	-65.3	0	0	0	0	112.2	I436 I520 F526 H527 E528	I436-S524 WeakPolarHBondContact CD1-OG 3.49Å; I436-S524 WeakPolarHBondContact CG1-OG 3.2Å; I520-S524 VanDerWaalsContact O-CB 3.31Å; I520-S524 WeakPolarHBondContact O-CB 3.38Å; I520-S524 PolarHBondContact O-N 3.12Å; I520-S524 PolarHBondContact O-OG 3.33Å; S524-F526 VanDerWaalsContact C-N 3.3Å; S524-F526 PolarHBondContact O-N 2.99Å; S524-H527 PolarHBondContact O-N 2.96Å; S524-E528 PolarHBondContact O-N 3.42Å
525	K	97.7	Very high	96.1	Very high	97 Å²	97	58.9 Å²	58.9	42%	0.422	29%	0.293	S	S	.	.	H	α-helix	trans	-64.6	-33	179	-73.1	176.6	175.9	173.5	0	113.1	E521 F523 R529	E521-K525 HydrophobicContact CG-CD 4.23Å; E521-K525 WeakPolarHBondContact O-CB 3.19Å; E521-K525 WeakPolarHBondContact O-CG 3.19Å; E521-K525 PolarHBondContact O-N 3.45Å; E521-K525 VanDerWaalsContact O-N 3.1Å; E521-K525 IonicContact OE1-NZ 3.95Å; E521-K525 PolarHBondContact OE1-NZ 3.03Å; F523-K525 PolarHBondContact O-N 3.42Å; K525-R529 WeakPolarHBondContact O-CG 3.19Å; K525-R529 PolarHBondContact O-NE 2.76Å
526	F	98.3	Very high	96.3	Very high	12 Å²	12	59.7 Å²	59.7	5%	0.053	30%	0.295	C	S	.	.	H	α-helix	trans	-71.6	-47.9	173.2	165.4	-97.4	0	0	0	110.9	Y478 N481 L482 T486 R522 F523 S524 E528 R529 F530	Y478-F526 HydrophobicContact CD1-CE1 4.47Å; Y478-F526 HydrophobicContact CD2-CE1 4.11Å; Y478-F526 HydrophobicContact CD2-CZ 4.5Å; Y478-F526 AromaticContact CE1-CE1 3.98Å; Y478-F526 HydrophobicContact CE1-CE1 3.98Å; Y478-F526 HydrophobicContact CE2-CD1 4.4Å; Y478-F526 AromaticContact CE2-CE1 3.58Å; Y478-F526 HydrophobicContact CE2-CE1 3.58Å; Y478-F526 HydrophobicContact CE2-CZ 4.32Å; Y478-F526 AromaticContact CZ-CE1 3.49Å; Y478-F526 VanDerWaalsContact CZ-CE1 3.49Å; N481-F526 VanDerWaalsContact C-CE2 3.46Å; N481-F526 HydrophobicContact CB-CE2 3.89Å; N481-F526 HydrophobicContact CB-CZ 3.75Å; N481-F526 WeakPolarHBondContact O-CE2 3.3Å; L482-F526 VanDerWaalsContact CA-CZ 3.5Å; L482-F526 HydrophobicContact CB-CD1 3.94Å; L482-F526 HydrophobicContact CB-CE1 3.56Å; L482-F526 HydrophobicContact CB-CE2 4.44Å; L482-F526 HydrophobicContact CB-CZ 3.85Å; L482-F526 HydrophobicContact CD1-CB 4Å; L482-F526 HydrophobicContact CD1-CD1 3.39Å; L482-F526 HydrophobicContact CD1-CE1 3.97Å; L482-F526 HydrophobicContact CD1-CG 3.7Å; L482-F526 HydrophobicContact CG-CD1 4.21Å; L482-F526 HydrophobicContact CG-CE1 4.3Å; T486-F526 HydrophobicContact CG2-CB 3.62Å; T486-F526 HydrophobicContact CG2-CD2 4.34Å; T486-F526 HydrophobicContact CG2-CG 4.19Å; R522-F526 WeakPolarHBondContact O-CB 3.42Å; R522-F526 PolarHBondContact O-N 2.71Å; F523-F526 PolarHBondContact O-N 3.08Å; S524-F526 VanDerWaalsContact C-N 3.3Å; S524-F526 PolarHBondContact O-N 2.99Å; F526-E528 PolarHBondContact O-N 2.76Å; F526-R529 PolarHBondContact O-N 2.89Å; F526-F530 HydrophobicContact CE1-CB 4.24Å; F526-F530 HydrophobicContact CE1-CD2 4.31Å; F526-F530 HydrophobicContact CE1-CG 4.4Å; F526-F530 HydrophobicContact CE2-CB 4.31Å; F526-F530 AromaticContact CE2-CD2 3.99Å; F526-F530 HydrophobicContact CE2-CD2 3.99Å; F526-F530 HydrophobicContact CZ-CB 4.05Å; F526-F530 AromaticContact CZ-CD2 3.52Å; F526-F530 HydrophobicContact CZ-CD2 3.52Å; F526-F530 HydrophobicContact CZ-CE2 4.28Å; F526-F530 HydrophobicContact CZ-CG 4.02Å; F526-F530 WeakPolarHBondContact O-CB 3.3Å; F526-F530 PolarHBondContact O-N 2.75Å
527	H	98.4	Very high	96.5	Very high	3 Å²	3	62.2 Å²	62.2	1%	0.014	31%	0.307	C	S	.	.	H	α-helix	trans	-57.1	-50.3	-177.1	-173.1	92.9	0	0	0	110.8	I436 K437 V439 Y478 F523 S524 R529 F530 M531	I436-H527 HydrophobicContact CG2-CB 4.28Å; K437-H527 PolarHBondContact O-CD2 3.21Å; K437-H527 PolarHBondContact O-NE2 3.24Å; V439-H527 WeakPolarHBondContact CG2-CE1 3.43Å; Y478-H527 AromaticContact CZ-ND1 3.76Å; Y478-H527 PolarHBondContact OH-ND1 3.45Å; F523-H527 HydrophobicContact CE1-CB 4.47Å; F523-H527 VanDerWaalsContact O-CB 3.26Å; F523-H527 WeakPolarHBondContact O-CB 3.39Å; F523-H527 PolarHBondContact O-N 2.98Å; S524-H527 PolarHBondContact O-N 2.96Å; H527-R529 PolarHBondContact O-N 2.96Å; H527-F530 PolarHBondContact O-N 2.87Å; H527-M531 VanDerWaalsContact NE2-CE 3.28Å; H527-M531 WeakPolarHBondContact NE2-CE 3.47Å; H527-M531 WeakPolarHBondContact O-CB 3.12Å; H527-M531 WeakPolarHBondContact O-CG 3.44Å; H527-M531 PolarHBondContact O-N 2.53Å; H527-M531 WeakPolarHBondContact CE1-CE 3.41Å
528	E	97.5	Very high	96.6	Very high	134 Å²	134	59.5 Å²	59.5	63%	0.626	30%	0.296	S	S	*	.	H	α-helix	trans	-55.9	-50.1	177	-175.9	178.2	-160.2	0	0	112.1	S524 F526 F530 M531 T532	S524-E528 PolarHBondContact O-N 3.42Å; F526-E528 PolarHBondContact O-N 2.76Å; E528-F530 PolarHBondContact O-N 3.09Å; E528-M531 PolarHBondContact O-N 3.39Å; E528-T532 PolarHBondContact O-N 3.16Å; E528-T532 PolarHBondContact O-OG1 3.19Å; E528-T532 VanDerWaalsContact O-OG1 3.13Å
529	R	97.5	Very high	96.7	Very high	167 Å²	167	60.1 Å²	60.1	63%	0.63	30%	0.298	S	S	*	.	H	α-helix	trans	-63	-41.9	179	-76.8	-174.9	-91.4	-173.2	-7.3	112.8	K525 F526 H527 T532 M533	K525-R529 WeakPolarHBondContact O-CG 3.19Å; K525-R529 PolarHBondContact O-NE 2.76Å; F526-R529 PolarHBondContact O-N 2.89Å; H527-R529 PolarHBondContact O-N 2.96Å; R529-T532 PolarHBondContact O-N 3.47Å; R529-M533 VanDerWaalsContact O-CB 3.3Å; R529-M533 WeakPolarHBondContact O-CB 3.5Å; R529-M533 PolarHBondContact O-N 3.43Å
530	F	98	Very high	96.7	Very high	6 Å²	6	63.8 Å²	63.8	3%	0.026	32%	0.316	C	S	.	.	H	α-helix	trans	-64	-44.6	177.4	-171.9	-81.2	0	0	0	110.5	L456 A460 F477 Y478 N481 F526 H527 E528 T532 M533 Y534	L456-F530 HydrophobicContact CD2-CE1 4.1Å; A460-F530 HydrophobicContact CB-CE1 3.7Å; A460-F530 HydrophobicContact CB-CZ 3.99Å; F477-F530 HydrophobicContact CD1-CE2 4.38Å; F477-F530 AromaticContact CD1-CZ 3.97Å; F477-F530 HydrophobicContact CD1-CZ 3.97Å; F477-F530 AromaticContact CE1-CE2 3.93Å; F477-F530 HydrophobicContact CE1-CE2 3.93Å; F477-F530 AromaticContact CE1-CZ 3.7Å; F477-F530 HydrophobicContact CE1-CZ 3.7Å; Y478-F530 AromaticContact CD2-CD1 3.69Å; Y478-F530 HydrophobicContact CD2-CD1 3.69Å; Y478-F530 HydrophobicContact CD2-CD2 4.29Å; Y478-F530 AromaticContact CD2-CE1 3.61Å; Y478-F530 HydrophobicContact CD2-CE1 3.61Å; Y478-F530 HydrophobicContact CD2-CE2 4.19Å; Y478-F530 HydrophobicContact CD2-CG 4.05Å; Y478-F530 AromaticContact CD2-CZ 3.86Å; Y478-F530 HydrophobicContact CD2-CZ 3.86Å; Y478-F530 HydrophobicContact CE2-CB 4.43Å; Y478-F530 AromaticContact CE2-CD1 3.81Å; Y478-F530 HydrophobicContact CE2-CD1 3.81Å; Y478-F530 HydrophobicContact CE2-CE1 4.21Å; Y478-F530 HydrophobicContact CE2-CG 4.02Å; N481-F530 HydrophobicContact CB-CD2 4.27Å; N481-F530 HydrophobicContact CB-CE2 4.02Å; F526-F530 HydrophobicContact CE1-CB 4.24Å; F526-F530 HydrophobicContact CE1-CD2 4.31Å; F526-F530 HydrophobicContact CE1-CG 4.4Å; F526-F530 HydrophobicContact CE2-CB 4.31Å; F526-F530 AromaticContact CE2-CD2 3.99Å; F526-F530 HydrophobicContact CE2-CD2 3.99Å; F526-F530 HydrophobicContact CZ-CB 4.05Å; F526-F530 AromaticContact CZ-CD2 3.52Å; F526-F530 HydrophobicContact CZ-CD2 3.52Å; F526-F530 HydrophobicContact CZ-CE2 4.28Å; F526-F530 HydrophobicContact CZ-CG 4.02Å; F526-F530 WeakPolarHBondContact O-CB 3.3Å; F526-F530 PolarHBondContact O-N 2.75Å; H527-F530 PolarHBondContact O-N 2.87Å; E528-F530 PolarHBondContact O-N 3.09Å; F530-T532 PolarHBondContact O-N 3.29Å; F530-M533 PolarHBondContact O-N 3Å; F530-Y534 VanDerWaalsContact O-N 3.16Å; F530-Y534 PolarHBondContact O-N 3.34Å; F530-Y534 WeakPolarHBondContact O-CD2 3.36Å; F530-Y534 VanDerWaalsContact O-CD2 3.29Å; F530-Y534 HydrophobicContact CZ-CE2 3.54Å; F530-Y534 AromaticContact CZ-CE2 3.54Å; F530-Y534 HydrophobicContact CZ-CD2 3.6Å; F530-Y534 HydrophobicContact CE1-CD2 3.55Å; F530-Y534 AromaticContact CZ-CD2 3.6Å; F530-Y534 HydrophobicContact CG-CE2 4.24Å; F530-Y534 HydrophobicContact CG-CD2 4.05Å; F530-Y534 VanDerWaalsContact CE2-CE2 3.42Å; F530-Y534 HydrophobicContact CE2-CE2 3.42Å; F530-Y534 HydrophobicContact CE2-CD2 3.87Å; F530-Y534 AromaticContact CD1-CD2 3.8Å; F530-Y534 HydrophobicContact CD1-CD2 3.8Å; F530-Y534 HydrophobicContact CD1-CE2 4.34Å; F530-Y534 HydrophobicContact CD2-CD2 4.08Å; F530-Y534 AromaticContact CD2-CE2 3.79Å; F530-Y534 HydrophobicContact CD2-CE2 3.79Å; F530-Y534 AromaticContact CE1-CD2 3.55Å; F530-Y534 AromaticContact CE1-CE2 3.99Å; F530-Y534 HydrophobicContact CE1-CE2 3.99Å; F530-Y534 HydrophobicContact CE1-CG 4.45Å; F530-Y534 AromaticContact CE2-CD2 3.87Å; F530-Y534 AromaticContact CE2-CE2 3.42Å
531	M	97.6	Very high	96.7	Very high	31 Å²	31	66.4 Å²	66.4	15%	0.153	33%	0.329	C	S	.	.	H	α-helix	trans	-62.1	-43	177.4	-68.3	-54.2	177	0	0	111.8	F455 L456 P457 H527 E528 Y534 S535	F455-M531 WeakPolarHBondContact O-CE 3.38Å; L456-M531 HydrophobicContact CD2-CE 4.37Å; P457-M531 WeakPolarHBondContact CD-SD 3.28Å; P457-M531 HydrophobicContact CG-SD 3.67Å; H527-M531 VanDerWaalsContact NE2-CE 3.28Å; H527-M531 WeakPolarHBondContact NE2-CE 3.47Å; H527-M531 WeakPolarHBondContact O-CB 3.12Å; H527-M531 WeakPolarHBondContact O-CG 3.44Å; H527-M531 PolarHBondContact O-N 2.53Å; H527-M531 WeakPolarHBondContact CE1-CE 3.41Å; E528-M531 PolarHBondContact O-N 3.39Å; M531-Y534 PolarHBondContact O-N 3.01Å; M531-S535 WeakPolarHBondContact O-CB 3.47Å; M531-S535 PolarHBondContact O-N 3.25Å
532	T	97	Very high	96.7	Very high	100 Å²	100	64.1 Å²	64.1	61%	0.613	32%	0.319	S	S	*	.	H	α-helix	trans	-66.6	-37.1	174.8	-57.7	0	0	0	0	112.9	E528 R529 F530 Y534 S535	E528-T532 PolarHBondContact O-N 3.16Å; E528-T532 PolarHBondContact O-OG1 3.19Å; E528-T532 VanDerWaalsContact O-OG1 3.13Å; R529-T532 PolarHBondContact O-N 3.47Å; F530-T532 PolarHBondContact O-N 3.29Å; T532-Y534 VanDerWaalsContact C-N 3.28Å; T532-Y534 PolarHBondContact O-N 3.48Å; T532-S535 PolarHBondContact O-OG 3.31Å
533	M	95.7	Very high	96.6	Very high	133 Å²	133	66.2 Å²	66.2	66%	0.655	33%	0.334	S	S	*	.	H	α-helix	trans	-65.2	-33.1	179.9	-176.6	179.6	-63.7	0	0	112.5	R529 F530	R529-M533 VanDerWaalsContact O-CB 3.3Å; R529-M533 WeakPolarHBondContact O-CB 3.5Å; R529-M533 PolarHBondContact O-N 3.43Å; F530-M533 PolarHBondContact O-N 3Å
534	Y	95.5	Very high	96.5	Very high	33 Å²	33	71.8 Å²	71.8	13%	0.129	36%	0.361	C	S	.	.	H	α-helix	trans	-111.6	7.6	-176.1	-64.9	-72.1	0	0	0	114.3	P457 K459 A460 K463 F477 F530 M531 T532	P457-Y534 WeakPolarHBondContact CB-O 3.33Å; K459-Y534 HydrophobicContact CB-CD1 4.32Å; K459-Y534 WeakPolarHBondContact CB-O 3.49Å; A460-Y534 HydrophobicContact CB-CD1 4.14Å; A460-Y534 HydrophobicContact CB-CD2 4.03Å; A460-Y534 HydrophobicContact CB-CG 3.7Å; K463-Y534 HydrophobicContact CB-CE1 4.06Å; K463-Y534 HydrophobicContact CG-CE1 4.06Å; F477-Y534 HydrophobicContact CE1-CE2 4.2Å; F477-Y534 AromaticContact CE1-CZ 3.96Å; F477-Y534 AromaticContact CZ-CZ 3.99Å; F477-Y534 WeakPolarHBondContact CZ-OH 3.23Å; F530-Y534 VanDerWaalsContact O-N 3.16Å; F530-Y534 PolarHBondContact O-N 3.34Å; F530-Y534 WeakPolarHBondContact O-CD2 3.36Å; F530-Y534 VanDerWaalsContact O-CD2 3.29Å; F530-Y534 HydrophobicContact CZ-CE2 3.54Å; F530-Y534 AromaticContact CZ-CE2 3.54Å; F530-Y534 HydrophobicContact CZ-CD2 3.6Å; F530-Y534 HydrophobicContact CE1-CD2 3.55Å; F530-Y534 AromaticContact CZ-CD2 3.6Å; F530-Y534 HydrophobicContact CG-CE2 4.24Å; F530-Y534 HydrophobicContact CG-CD2 4.05Å; F530-Y534 VanDerWaalsContact CE2-CE2 3.42Å; F530-Y534 HydrophobicContact CE2-CE2 3.42Å; F530-Y534 HydrophobicContact CE2-CD2 3.87Å; F530-Y534 AromaticContact CD1-CD2 3.8Å; F530-Y534 HydrophobicContact CD1-CD2 3.8Å; F530-Y534 HydrophobicContact CD1-CE2 4.34Å; F530-Y534 HydrophobicContact CD2-CD2 4.08Å; F530-Y534 AromaticContact CD2-CE2 3.79Å; F530-Y534 HydrophobicContact CD2-CE2 3.79Å; F530-Y534 AromaticContact CE1-CD2 3.55Å; F530-Y534 AromaticContact CE1-CE2 3.99Å; F530-Y534 HydrophobicContact CE1-CE2 3.99Å; F530-Y534 HydrophobicContact CE1-CG 4.45Å; F530-Y534 AromaticContact CE2-CD2 3.87Å; F530-Y534 AromaticContact CE2-CE2 3.42Å; M531-Y534 PolarHBondContact O-N 3.01Å; T532-Y534 VanDerWaalsContact C-N 3.28Å; T532-Y534 PolarHBondContact O-N 3.48Å
535	S	87.2	Confident	96.4	Very high	108 Å²	108	74.9 Å²	74.9	76%	0.755	37%	0.371	S	S	*	.			trans	-63.1	0	175.8	58.8	0	0	0	0	113.4	K459 M531 T532	K459-S535 WeakPolarHBondContact CE-O 3.23Å; K459-S535 PolarHBondContact NZ-O 3.02Å; M531-S535 WeakPolarHBondContact O-CB 3.47Å; M531-S535 PolarHBondContact O-N 3.25Å; T532-S535 PolarHBondContact O-OG 3.31Å

Retrieved 535 of 535 residues in 1862.9 ms (Link to these results)

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