A0A3Q0KH21_SCHMA Loading...

Pyruvate kinase

AlphaFold DB , UniProt , Accession A0A3Q0KH21, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 561 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	36.2	Very low	37.4	Very low	236 Å²	236	144.7 Å²	144.7	100%	1.163	87%	0.866	S	S	*	*				0	122.7	0	-74.7	-169.9	-146.6	0	0	107.8
2	L	37.8	Very low	36.8	Very low	175 Å²	175	140.9 Å²	140.9	92%	0.916	85%	0.851	S	S	*	*			trans	55.4	105.2	163	-54.6	167	0	0	0	115.8
3	G	33.4	Very low	36.5	Very low	76 Å²	76	146.2 Å²	146.2	78%	0.784	86%	0.856	S	S	*	*			cis	98.4	90.9	26.2	0	0	0	0	0	110.4
4	S	48.4	Very low	36.3	Very low	124 Å²	124	148.2 Å²	148.2	87%	0.867	85%	0.853	S	S	*	*			trans	-153.5	112.6	155.2	51.3	0	0	0	0	110.9
5	N	37.8	Very low	35.9	Very low	163 Å²	163	143 Å²	143	87%	0.872	84%	0.844	S	S	*	*			trans	-69.3	139.7	170.6	-72.6	-39	0	0	0	110.4
6	L	40.5	Very low	35.7	Very low	173 Å²	173	144 Å²	144	91%	0.906	85%	0.852	S	S	*	*			trans	-143.6	100.1	151.9	-97.5	163.6	0	0	0	110
7	S	37.1	Very low	35.6	Very low	109 Å²	109	141.4 Å²	141.4	76%	0.762	84%	0.843	S	S	*	*			trans	42.3	100.3	138	177.3	0	0	0	0	118.8	G9	S7-G9 PolarHBondContact O-N 3.48Å
8	I	34.7	Very low	35.5	Very low	170 Å²	170	139.3 Å²	139.3	87%	0.872	84%	0.836	S	S	*	*			trans	-71.2	111.9	162.4	-63	165.9	0	0	0	109
9	G	36.6	Very low	35.4	Very low	72 Å²	72	138.7 Å²	138.7	74%	0.742	83%	0.833	S	S	*	*			trans	-94.6	111.6	159.9	0	0	0	0	0	109	S7 Q11	S7-G9 PolarHBondContact O-N 3.48Å; G9-Q11 PolarHBondContact O-N 3.05Å
10	S	33.1	Very low	35.4	Very low	114 Å²	114	136 Å²	136	80%	0.797	82%	0.82	S	S	*	*			trans	-67.9	116.6	176.4	52.3	0	0	0	0	111.4
11	Q	35.6	Very low	35.2	Very low	180 Å²	180	139.3 Å²	139.3	84%	0.841	82%	0.818	S	S	*	*			trans	-124.1	124.1	149.9	-78.1	-167.8	-6.9	0	0	108.5	G9 F13	G9-Q11 PolarHBondContact O-N 3.05Å; Q11-F13 PolarHBondContact O-N 2.83Å
12	S	30.6	Very low	34.8	Very low	99 Å²	99	137 Å²	137	69%	0.692	80%	0.802	S	S	*	*			trans	-60.9	113.1	-177.5	47.3	0	0	0	0	111.9	H14	S12-H14 PolarHBondContact O-N 3.41Å
13	F	32.6	Very low	34.7	Very low	209 Å²	209	132.4 Å²	132.4	92%	0.917	80%	0.797	S	S	*	*			trans	-79.4	103.7	157.2	-87.7	-91.2	0	0	0	108.1	Q11	Q11-F13 PolarHBondContact O-N 2.83Å
14	H	34.2	Very low	34.6	Very low	175 Å²	175	135.1 Å²	135.1	81%	0.81	79%	0.789	S	S	*	*			trans	-93.3	126.1	165.6	-82.8	2.2	0	0	0	109.4	S12	S12-H14 PolarHBondContact O-N 3.41Å
15	G	30.5	Very low	33.8	Very low	70 Å²	70	138.5 Å²	138.5	72%	0.722	79%	0.792	S	S	*	*			trans	91.7	74.7	155.4	0	0	0	0	0	117
16	V	32.6	Very low	33.5	Very low	159 Å²	159	135.4 Å²	135.4	96%	0.964	78%	0.782	S	S	*	*			trans	-104.4	87.1	144.7	-176.2	0	0	0	0	105.6
17	S	33.1	Very low	33.3	Very low	100 Å²	100	131.5 Å²	131.5	70%	0.699	77%	0.767	S	S	*	*			trans	-103.9	125.1	175.1	55.9	0	0	0	0	109.9
18	S	34	Very low	33.1	Very low	104 Å²	104	137.4 Å²	137.4	73%	0.727	78%	0.775	S	S	*	*			trans	56.5	102	164	63.2	0	0	0	0	117.8	S20	S18-S20 PolarHBondContact O-N 2.99Å
19	V	34.4	Very low	33	Very low	128 Å²	128	135.9 Å²	135.9	78%	0.776	76%	0.764	S	S	*	*			trans	-62.4	107.5	142	-179.5	0	0	0	0	105.9	R21	V19-R21 PolarHBondContact O-N 3.39Å
20	S	35.5	Very low	33.2	Very low	83 Å²	83	141.7 Å²	141.7	58%	0.58	77%	0.772	S	S	*	*			trans	-58.7	133.6	171.1	42.6	0	0	0	0	108.6	S18	S18-S20 PolarHBondContact O-N 2.99Å
21	R	30	Very low	33.6	Very low	206 Å²	206	142 Å²	142	78%	0.777	76%	0.764	S	S	*	*			trans	-69.1	144.4	176	-71.7	178.9	179.4	179.7	0.8	108.5	V19 G23 E24	V19-R21 PolarHBondContact O-N 3.39Å; R21-G23 PolarHBondContact O-N 3.09Å; R21-E24 PolarHBondContact O-N 3.19Å
22	F	28.1	Very low	33.7	Very low	188 Å²	188	136.4 Å²	136.4	83%	0.825	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-47.2	114.7	166.9	-128.1	-90.8	0	0	0	109
23	G	35.7	Very low	34	Very low	78 Å²	78	135.5 Å²	135.5	80%	0.804	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	105.3	6.1	177.8	0	0	0	0	0	117.8	R21	R21-G23 PolarHBondContact O-N 3.09Å
24	E	32.3	Very low	34.3	Very low	133 Å²	133	133 Å²	133	62%	0.621	73%	0.731	S	S	*	*			trans	-80.8	121.4	165.5	-79.7	178.6	168	0	0	110.6	R21 S26	R21-E24 PolarHBondContact O-N 3.19Å; E24-S26 PolarHBondContact O-N 3.11Å
25	E	30.3	Very low	34.8	Very low	196 Å²	196	129.8 Å²	129.8	92%	0.916	73%	0.728	S	S	*	*			trans	-52.3	107.3	176.5	-69.7	-179.3	162.9	0	0	110.9	P27	E25-P27 WeakPolarHBondContact O-CD 3.1Å
26	S	32.7	Very low	36.2	Very low	97 Å²	97	130.3 Å²	130.3	68%	0.678	72%	0.717	S	S	*	*			trans	-79.8	118.8	170	-176.9	0	0	0	0	109	E24 Y28	E24-S26 PolarHBondContact O-N 3.11Å; S26-Y28 PolarHBondContact O-N 3.25Å
27	P	35	Very low	38.1	Very low	91 Å²	91	130 Å²	130	59%	0.591	70%	0.699	S	S	*	*			trans	-68.7	127.5	176.6	27.4	-30.4	0	0	0	109	E25 H29	E25-P27 WeakPolarHBondContact O-CD 3.1Å; P27-H29 PolarHBondContact O-N 2.83Å
28	Y	33.4	Very low	40.6	Very low	233 Å²	233	126.6 Å²	126.6	91%	0.914	68%	0.675	S	S	*	*			trans	-39.8	97.4	174.1	-73.5	-88.8	0	0	0	112.7	S26	S26-Y28 PolarHBondContact O-N 3.25Å
29	H	32.5	Very low	43.1	Very low	139 Å²	139	131.6 Å²	131.6	64%	0.644	68%	0.678	S	S	*	*			trans	-105.1	111.4	164.6	-85.8	-65.6	0	0	0	108.8	P27 N31	P27-H29 PolarHBondContact O-N 2.83Å; H29-N31 PolarHBondContact O-N 2.95Å
30	Q	41	Very low	45.8	Very low	194 Å²	194	128 Å²	128	91%	0.907	66%	0.658	S	S	*	*	S	Bend	trans	-65.1	1.9	174.3	-79	-176.9	-17.5	0	0	114.1
31	N	41.2	Very low	48.5	Very low	120 Å²	120	129.4 Å²	129.4	64%	0.642	66%	0.659	S	S	*	*	S	Bend	trans	-153.5	110.7	161.3	-80.6	-46.6	0	0	0	106.9	H29	H29-N31 PolarHBondContact O-N 2.95Å
32	P	38.6	Very low	51.7	Low	63 Å²	63	125.7 Å²	125.7	41%	0.409	65%	0.653	S	S	.	*			trans	-64.2	146.1	174.1	29.7	-34.1	0	0	0	108.9	V36	P32-V36 HydrophobicContact CB-CB 3.91Å; P32-V36 HydrophobicContact CB-CG1 4.09Å; P32-V36 HydrophobicContact CB-CG2 4.22Å
33	P	36.6	Very low	54.8	Low	79 Å²	79	119.9 Å²	119.9	51%	0.513	63%	0.629	S	S	.	*			trans	-54.5	148.3	178.9	15	-23.6	0	0	0	110.4	S35 V36	P33-S35 PolarHBondContact O-N 2.9Å; P33-V36 HydrophobicContact CG-CG2 3.75Å; P33-V36 WeakPolarHBondContact O-CB 3.06Å; P33-V36 VanDerWaalsContact O-CG2 3.31Å; P33-V36 WeakPolarHBondContact O-CG2 3.49Å; P33-V36 PolarHBondContact O-N 2.86Å
34	L	39.5	Very low	57.6	Low	158 Å²	158	117.2 Å²	117.2	83%	0.827	60%	0.595	S	S	*	*	G	3₁₀ helix	trans	-51.1	-18	-179.5	-81.4	156.1	0	0	0	113.9	V36 Y37	L34-V36 PolarHBondContact O-N 2.73Å; L34-Y37 HydrophobicContact CD2-CE2 4.15Å
35	S	43.6	Very low	60.5	Low	107 Å²	107	114.6 Å²	114.6	75%	0.748	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-72.3	2.9	171.8	62.2	0	0	0	0	115.2	P33	P33-S35 PolarHBondContact O-N 2.9Å
36	V	59.9	Low	63.6	Low	80 Å²	80	109.9 Å²	109.9	49%	0.485	57%	0.573	S	S	.	*	G	3₁₀ helix	trans	-119.8	28.8	-173.2	-164.7	0	0	0	0	111.5	P32 P33 L34	P32-V36 HydrophobicContact CB-CB 3.91Å; P32-V36 HydrophobicContact CB-CG1 4.09Å; P32-V36 HydrophobicContact CB-CG2 4.22Å; P33-V36 HydrophobicContact CG-CG2 3.75Å; P33-V36 WeakPolarHBondContact O-CB 3.06Å; P33-V36 VanDerWaalsContact O-CG2 3.31Å; P33-V36 WeakPolarHBondContact O-CG2 3.49Å; P33-V36 PolarHBondContact O-N 2.86Å; L34-V36 PolarHBondContact O-N 2.73Å
37	Y	73.5	Confident	66.5	Low	152 Å²	152	108.6 Å²	108.6	60%	0.596	56%	0.564	S	S	*	*	S	Bend	trans	-95.6	123.9	163.6	-69.7	-75.9	0	0	0	108.9	L34 R39	L34-Y37 HydrophobicContact CD2-CE2 4.15Å; Y37-R39 PolarHBondContact O-N 2.72Å
38	P	84.3	Confident	69.3	Low	29 Å²	29	107.7 Å²	107.7	19%	0.188	55%	0.554	C	S	.	*			trans	-61.7	134.8	178	24.6	-32.1	0	0	0	110.1	E43 H44 F402	P38-E43 HydrophobicContact CB-CB 4.02Å; P38-E43 HydrophobicContact CB-CG 4.05Å; P38-H44 VanDerWaalsContact CB-CA 3.48Å; P38-H44 HydrophobicContact CB-CB 3.72Å; P38-H44 VanDerWaalsContact CB-N 3.31Å; P38-H44 HydrophobicContact CG-CB 3.72Å; P38-F402 HydrophobicContact CB-CZ 4.48Å; P38-F402 HydrophobicContact CG-CD2 4.36Å; P38-F402 HydrophobicContact CG-CE2 3.8Å; P38-F402 HydrophobicContact CG-CZ 4.25Å; P38-F402 WeakPolarHBondContact O-CZ 3.29Å
39	R	86.2	Confident	72.1	Confident	209 Å²	209	100.7 Å²	100.7	79%	0.789	53%	0.532	S	S	*	.	S	Bend	trans	-93.2	-10	-178.2	-60.4	166.2	-68.6	173.5	-5.7	112.8	Y37 E43	Y37-R39 PolarHBondContact O-N 2.72Å; R39-E43 WeakPolarHBondContact CB-OE2 3.48Å; R39-E43 IonicContact CZ-OE1 3.81Å; R39-E43 IonicContact CZ-OE2 3.64Å; R39-E43 PolarHBondContact N-OE2 2.72Å; R39-E43 IonicContact NE-OE1 2.81Å; R39-E43 PolarHBondContact NE-OE1 2.76Å; R39-E43 IonicContact NE-OE2 3.74Å; R39-E43 PolarHBondContact NE-OE2 2.82Å; R39-E43 VanDerWaalsContact NE-OE2 3.08Å; R39-E43 IonicContact NH2-OE1 3.01Å; R39-E43 PolarHBondContact NH2-OE1 2.77Å; R39-E43 IonicContact NH2-OE2 2.78Å
40	S	91.6	Very high	75	Confident	52 Å²	52	100.4 Å²	100.4	36%	0.364	53%	0.534	S	S	.	.	S	Bend	trans	-146	161.4	-180	68.3	0	0	0	0	110	L42 E43 H44	S40-L42 PolarHBondContact O-N 2.91Å; S40-E43 PolarHBondContact O-N 3.25Å; S40-E43 PolarHBondContact OG-N 3.22Å; S40-H44 PolarHBondContact O-N 2.94Å
41	L	93.7	Very high	77.6	Confident	113 Å²	113	97.2 Å²	97.2	59%	0.592	52%	0.523	S	S	*	.	H	α-helix	trans	-58.5	-37.5	173.9	-180	61.2	0	0	0	112	H44 V45 F402	L41-H44 WeakPolarHBondContact O-CB 3.19Å; L41-H44 PolarHBondContact O-N 3.31Å; L41-V45 HydrophobicContact CD1-CG2 4.25Å; L41-V45 HydrophobicContact CG-CG2 4.46Å; L41-V45 VanDerWaalsContact O-CG2 3.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.5Å; L41-V45 PolarHBondContact O-N 2.8Å; L41-F402 HydrophobicContact CD1-CD1 4.24Å
42	L	95.3	Very high	79.8	Confident	128 Å²	128	96 Å²	96	67%	0.67	51%	0.513	S	S	*	.	H	α-helix	trans	-64.8	-45.7	178.8	179.8	60.9	0	0	0	111.6	S40 H44 V45 V46	S40-L42 PolarHBondContact O-N 2.91Å; L42-H44 VanDerWaalsContact C-N 3.29Å; L42-H44 PolarHBondContact O-N 3.48Å; L42-V45 PolarHBondContact O-N 3.14Å; L42-V46 HydrophobicContact CD1-CG2 4.35Å; L42-V46 WeakPolarHBondContact O-CG2 3.35Å; L42-V46 PolarHBondContact O-N 2.87Å
43	E	94.4	Very high	82.1	Confident	66 Å²	66	100.2 Å²	100.2	31%	0.308	53%	0.527	S	S	.	.	H	α-helix	trans	-61.8	-39.2	176.6	-168.5	169.5	-146.9	0	0	111	P38 R39 S40 V46 S47	P38-E43 HydrophobicContact CB-CB 4.02Å; P38-E43 HydrophobicContact CB-CG 4.05Å; R39-E43 WeakPolarHBondContact CB-OE2 3.48Å; R39-E43 IonicContact CZ-OE1 3.81Å; R39-E43 IonicContact CZ-OE2 3.64Å; R39-E43 PolarHBondContact N-OE2 2.72Å; R39-E43 IonicContact NE-OE1 2.81Å; R39-E43 PolarHBondContact NE-OE1 2.76Å; R39-E43 IonicContact NE-OE2 3.74Å; R39-E43 PolarHBondContact NE-OE2 2.82Å; R39-E43 VanDerWaalsContact NE-OE2 3.08Å; R39-E43 IonicContact NH2-OE1 3.01Å; R39-E43 PolarHBondContact NH2-OE1 2.77Å; R39-E43 IonicContact NH2-OE2 2.78Å; S40-E43 PolarHBondContact O-N 3.25Å; S40-E43 PolarHBondContact OG-N 3.22Å; E43-V46 PolarHBondContact O-N 3.02Å; E43-S47 WeakPolarHBondContact O-CB 3.46Å; E43-S47 PolarHBondContact O-N 2.81Å; E43-S47 PolarHBondContact O-OG 2.89Å
44	H	94.2	Very high	84.3	Confident	22 Å²	22	97.6 Å²	97.6	10%	0.102	51%	0.51	C	S	.	.	H	α-helix	trans	-61.9	-46.2	174.3	175.1	81.7	0	0	0	112.4	P38 S40 L41 L42 S47 L48 A400 F402	P38-H44 VanDerWaalsContact CB-CA 3.48Å; P38-H44 HydrophobicContact CB-CB 3.72Å; P38-H44 VanDerWaalsContact CB-N 3.31Å; P38-H44 HydrophobicContact CG-CB 3.72Å; S40-H44 PolarHBondContact O-N 2.94Å; L41-H44 WeakPolarHBondContact O-CB 3.19Å; L41-H44 PolarHBondContact O-N 3.31Å; L42-H44 VanDerWaalsContact C-N 3.29Å; L42-H44 PolarHBondContact O-N 3.48Å; H44-S47 PolarHBondContact O-N 2.85Å; H44-S47 PolarHBondContact O-OG 2.88Å; H44-L48 PolarHBondContact O-N 2.85Å; H44-A400 PolarHBondContact NE2-O 2.84Å; H44-F402 HydrophobicContact CB-CD1 4.11Å; H44-F402 HydrophobicContact CB-CD2 4.28Å; H44-F402 HydrophobicContact CB-CE1 4.36Å; H44-F402 HydrophobicContact CB-CG 4.08Å; H44-F402 AromaticContact CG-CG 3.79Å; H44-F402 AromaticContact ND1-CD2 3.7Å; H44-F402 AromaticContact ND1-CG 3.9Å
45	V	94.1	Very high	86.1	Confident	79 Å²	79	93.1 Å²	93.1	48%	0.479	50%	0.496	S	S	.	.	H	α-helix	trans	-64.9	-40.2	178.9	171.5	0	0	0	0	111.2	L41 L42 S47 L48	L41-V45 HydrophobicContact CD1-CG2 4.25Å; L41-V45 HydrophobicContact CG-CG2 4.46Å; L41-V45 VanDerWaalsContact O-CG2 3.31Å; L41-V45 WeakPolarHBondContact O-CG2 3.5Å; L41-V45 PolarHBondContact O-N 2.8Å; L42-V45 PolarHBondContact O-N 3.14Å; V45-S47 VanDerWaalsContact C-N 3.25Å; V45-S47 PolarHBondContact O-N 2.82Å; V45-L48 WeakPolarHBondContact O-CB 3.29Å; V45-L48 PolarHBondContact O-N 3.28Å
46	V	94.8	Very high	87.7	Confident	96 Å²	96	96.6 Å²	96.6	58%	0.582	49%	0.494	S	S	*	.	H	α-helix	trans	-65.2	-30.1	176.2	171.2	0	0	0	0	111.8	L42 E43 L48	L42-V46 HydrophobicContact CD1-CG2 4.35Å; L42-V46 WeakPolarHBondContact O-CG2 3.35Å; L42-V46 PolarHBondContact O-N 2.87Å; E43-V46 PolarHBondContact O-N 3.02Å; V46-L48 VanDerWaalsContact C-N 3.34Å
47	S	92.8	Very high	89.1	Confident	70 Å²	70	93.5 Å²	93.5	49%	0.49	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.5	178.8	75.6	0	0	0	0	114.5	E43 H44 V45 D49	E43-S47 WeakPolarHBondContact O-CB 3.46Å; E43-S47 PolarHBondContact O-N 2.81Å; E43-S47 PolarHBondContact O-OG 2.89Å; H44-S47 PolarHBondContact O-N 2.85Å; H44-S47 PolarHBondContact O-OG 2.88Å; V45-S47 VanDerWaalsContact C-N 3.25Å; V45-S47 PolarHBondContact O-N 2.82Å; S47-D49 PolarHBondContact O-N 2.95Å
48	L	93.3	Very high	90.1	Very high	73 Å²	73	87.1 Å²	87.1	38%	0.382	45%	0.45	S	S	.	.			trans	-67.7	127.2	174.2	-67.5	177.7	0	0	0	109.9	H44 V45 V46 A400	H44-L48 PolarHBondContact O-N 2.85Å; V45-L48 WeakPolarHBondContact O-CB 3.29Å; V45-L48 PolarHBondContact O-N 3.28Å; V46-L48 VanDerWaalsContact C-N 3.34Å; L48-A400 HydrophobicContact CD2-CB 3.86Å
49	D	93.5	Very high	90.8	Very high	85 Å²	85	86.3 Å²	86.3	46%	0.455	44%	0.444	S	S	.	.			trans	-124	127.9	-176.8	-178	1	0	0	0	110	S47 D51 H52	S47-D49 PolarHBondContact O-N 2.95Å; D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 2.97Å; D49-D51 PolarHBondContact OD1-N 2.86Å; D49-H52 HydrophobicContact CB-CB 4.27Å; D49-H52 WeakPolarHBondContact O-CB 3.19Å; D49-H52 PolarHBondContact O-N 2.99Å
50	I	94	Very high	91.4	Very high	134 Å²	134	76.4 Å²	76.4	69%	0.687	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-20.4	-179.1	62.7	172.1	0	0	0	112.8	H52	I50-H52 VanDerWaalsContact C-N 3.34Å
51	D	94	Very high	91.7	Very high	126 Å²	126	74.1 Å²	74.1	67%	0.674	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-12.5	178.5	-65.8	-42.4	0	0	0	111.7	D49 Q53	D49-D51 VanDerWaalsContact C-N 3.29Å; D49-D51 PolarHBondContact O-N 2.97Å; D49-D51 PolarHBondContact OD1-N 2.86Å; D51-Q53 PolarHBondContact O-N 2.83Å; D51-Q53 PolarHBondContact O-NE2 3.06Å
52	H	87.8	Confident	91.9	Very high	96 Å²	96	68.7 Å²	68.7	44%	0.444	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-62.6	121.8	172.8	-176.2	72.7	0	0	0	111	D49 I50 P54	D49-H52 HydrophobicContact CB-CB 4.27Å; D49-H52 WeakPolarHBondContact O-CB 3.19Å; D49-H52 PolarHBondContact O-N 2.99Å; I50-H52 VanDerWaalsContact C-N 3.34Å; H52-P54 WeakPolarHBondContact O-CD 3.43Å
53	Q	86.6	Confident	92.1	Very high	150 Å²	150	62.6 Å²	62.6	70%	0.701	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-82.7	118.9	176.8	-64.8	-58.9	-49.9	0	0	110.3	D51	D51-Q53 PolarHBondContact O-N 2.83Å; D51-Q53 PolarHBondContact O-NE2 3.06Å
54	P	83.9	Confident	92.3	Very high	24 Å²	24	59.5 Å²	59.5	16%	0.156	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-69	165.5	177.2	32	-37.8	0	0	0	111.1	H52 I395 A399	H52-P54 WeakPolarHBondContact O-CD 3.43Å; P54-I395 HydrophobicContact CB-CG2 3.5Å; P54-I395 HydrophobicContact CG-CG2 3.35Å; P54-A399 HydrophobicContact CB-CB 3.61Å
55	A	76.7	Confident	92.5	Very high	64 Å²	64	58.7 Å²	58.7	53%	0.529	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-59.5	145.1	169	0	0	0	0	0	110.2	V57 I395	A55-V57 PolarHBondContact O-N 2.72Å; A55-V57 VanDerWaalsContact O-N 3.14Å; A55-I395 WeakPolarHBondContact O-CG2 3.39Å
56	Y	76.9	Confident	92.8	Very high	181 Å²	181	55.3 Å²	55.3	71%	0.71	29%	0.293	S	S	*	.	S	Bend	trans	-66.1	-15.2	178.5	-171.6	-103.3	0	0	0	113.2
57	V	89.4	Confident	92.9	Very high	14 Å²	14	50.9 Å²	50.9	9%	0.085	27%	0.267	C	S	.	.			trans	-94.9	124.8	-172.7	-167.5	0	0	0	0	110.7	A55 P461 H482 F514	A55-V57 PolarHBondContact O-N 2.72Å; A55-V57 VanDerWaalsContact O-N 3.14Å; V57-P461 HydrophobicContact CB-CG 4.33Å; V57-P461 HydrophobicContact CG1-CB 3.77Å; V57-P461 HydrophobicContact CG1-CG 3.98Å; V57-P461 HydrophobicContact CG2-CG 4.39Å; V57-H482 VanDerWaalsContact CG1-CE1 3.45Å; V57-H482 WeakPolarHBondContact CG1-CE1 3.48Å; V57-H482 VanDerWaalsContact CG1-NE2 3.26Å; V57-H482 WeakPolarHBondContact CG1-NE2 3.32Å; V57-F514 HydrophobicContact CB-CE1 4.35Å; V57-F514 HydrophobicContact CG1-CD1 4.45Å; V57-F514 HydrophobicContact CG1-CD2 4.3Å; V57-F514 HydrophobicContact CG1-CE1 3.99Å; V57-F514 HydrophobicContact CG1-CE2 3.84Å; V57-F514 HydrophobicContact CG1-CZ 3.67Å; V57-F514 HydrophobicContact CG2-CB 4.21Å; V57-F514 HydrophobicContact CG2-CD1 3.33Å; V57-F514 HydrophobicContact CG2-CD2 4.12Å; V57-F514 HydrophobicContact CG2-CE1 3.56Å; V57-F514 HydrophobicContact CG2-CE2 4.33Å; V57-F514 HydrophobicContact CG2-CG 3.64Å; V57-F514 HydrophobicContact CG2-CZ 4.08Å
58	R	95.7	Very high	93.1	Very high	19 Å²	19	52.8 Å²	52.8	7%	0.072	28%	0.277	C	S	.	.			trans	-97	120.1	178.7	-174.2	-139.4	55.2	179.9	7.8	111.5	T60 G83 N85 C394 I395 E398 H482	R58-T60 VanDerWaalsContact CD-O 3.3Å; R58-T60 WeakPolarHBondContact CD-O 3.45Å; R58-T60 PolarHBondContact NE-O 2.64Å; R58-T60 PolarHBondContact NH1-O 3.37Å; R58-T60 PolarHBondContact NH2-O 3.07Å; R58-T60 VanDerWaalsContact NH2-O 3.11Å; R58-G83 PolarHBondContact NH1-O 2.92Å; R58-N85 VanDerWaalsContact CZ-OD1 3.24Å; R58-N85 PolarHBondContact NH1-OD1 3.44Å; R58-N85 VanDerWaalsContact NH2-CG 3.3Å; R58-N85 PolarHBondContact NH2-ND2 3.13Å; R58-N85 PolarHBondContact NH2-OD1 3.06Å; R58-C394 HydrophobicContact CG-CB 3.79Å; R58-I395 HydrophobicContact CB-CD1 4.02Å; R58-I395 HydrophobicContact CB-CG1 3.52Å; R58-I395 HydrophobicContact CG-CG1 3.86Å; R58-E398 WeakPolarHBondContact CA-OE2 3.35Å; R58-E398 WeakPolarHBondContact CG-OE1 3.2Å; R58-H482 PolarHBondContact O-CE1 2.96Å; R58-H482 VanDerWaalsContact O-CE1 3.26Å; R58-H482 PolarHBondContact O-NE2 2.73Å
59	N	97.3	Very high	93.3	Very high	12 Å²	12	51 Å²	51	6%	0.064	27%	0.273	C	S	.	.			trans	-83.1	-33.3	-177.3	-71.1	-32.4	0	0	0	113.9	E398 R459 R479 G480	N59-E398 VanDerWaalsContact N-CD 3.32Å; N59-E398 PolarHBondContact N-OE1 3.45Å; N59-E398 PolarHBondContact N-OE2 3.41Å; N59-R459 PolarHBondContact ND2-O 3.39Å; N59-R459 VanDerWaalsContact ND2-O 3.14Å; N59-R479 HydrophobicContact CB-CG 3.97Å; N59-R479 WeakPolarHBondContact O-CA 3.41Å; N59-G480 PolarHBondContact O-N 2.9Å; N59-G480 WeakPolarHBondContact OD1-CA 3.47Å
60	T	98.6	Very high	93.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-74	130.4	-176.6	-47	0	0	0	0	110.5	R58 V364 D369 V371 E398 R479	R58-T60 VanDerWaalsContact CD-O 3.3Å; R58-T60 WeakPolarHBondContact CD-O 3.45Å; R58-T60 PolarHBondContact NE-O 2.64Å; R58-T60 PolarHBondContact NH1-O 3.37Å; R58-T60 PolarHBondContact NH2-O 3.07Å; R58-T60 VanDerWaalsContact NH2-O 3.11Å; T60-V364 HydrophobicContact CG2-CG2 4.06Å; T60-D369 CarbonylContact C-O 3.59Å; T60-D369 WeakPolarHBondContact CA-O 3.47Å; T60-D369 WeakPolarHBondContact CG2-O 3.36Å; T60-V371 HydrophobicContact CG2-CG1 4.24Å; T60-V371 HydrophobicContact CG2-CG2 4.12Å; T60-E398 VanDerWaalsContact CB-OE1 3.25Å; T60-E398 WeakPolarHBondContact CB-OE1 3.31Å; T60-E398 PolarHBondContact N-OE1 3.4Å; T60-E398 PolarHBondContact OG1-OE1 2.99Å; T60-R479 PolarHBondContact OG1-NH1 3.05Å
61	G	98.7	Very high	93.6	Very high	4 Å²	4	42.8 Å²	42.8	4%	0.041	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	142.6	173.4	0	0	0	0	0	112.3	D369 C370 V371	G61-D369 PolarHBondContact N-O 3.38Å; G61-C370 CarbonylContact O-C 3.49Å; G61-C370 WeakPolarHBondContact O-CA 3.49Å; G61-V371 PolarHBondContact O-N 3.46Å
62	I	98.9	Very high	93.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	122.8	170.7	-69.4	172.7	0	0	0	109	N85 I86 V371 M390 H391	I62-N85 PolarHBondContact N-OD1 3.5Å; I62-N85 PolarHBondContact O-N 3.03Å; I62-I86 PolarHBondContact O-N 3.47Å; I62-V371 HydrophobicContact CG1-CG2 3.96Å; I62-M390 HydrophobicContact CD1-CB 4.03Å; I62-M390 HydrophobicContact CD1-CG 3.77Å; I62-M390 HydrophobicContact CD1-SD 4.43Å; I62-M390 HydrophobicContact CG1-CG 3.93Å; I62-M390 HydrophobicContact CG1-SD 4.09Å; I62-M390 HydrophobicContact CG2-SD 3.99Å; I62-H391 HydrophobicContact CD1-CB 3.96Å
63	I	98.9	Very high	94.2	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.1	176.1	-53.8	171	0	0	0	107.8	I86 R88 F253 I337 C370 V371 M372 L373	I63-I86 WeakPolarHBondContact CA-O 3.45Å; I63-I86 HydrophobicContact CB-CB 4.44Å; I63-I86 HydrophobicContact CD1-CD1 4.39Å; I63-I86 HydrophobicContact CG1-CB 4Å; I63-I86 HydrophobicContact CG1-CD1 4.05Å; I63-I86 HydrophobicContact CG1-CG2 4.49Å; I63-I86 HydrophobicContact CG2-CB 4.28Å; I63-I86 HydrophobicContact CG2-CG2 4.18Å; I63-R88 HydrophobicContact CG2-CB 3.88Å; I63-F253 HydrophobicContact CD1-CZ 4.1Å; I63-F253 HydrophobicContact CG2-CE2 4.15Å; I63-F253 HydrophobicContact CG2-CZ 4.39Å; I63-I337 HydrophobicContact CD1-CB 4.37Å; I63-I337 HydrophobicContact CD1-CD1 3.52Å; I63-I337 HydrophobicContact CD1-CG1 3.83Å; I63-I337 HydrophobicContact CD1-CG2 3.63Å; I63-C370 HydrophobicContact CD1-CB 3.76Å; I63-C370 HydrophobicContact CG1-CB 4.12Å; I63-V371 PolarHBondContact N-O 2.92Å; I63-M372 HydrophobicContact CB-CB 3.99Å; I63-M372 HydrophobicContact CB-CG 3.79Å; I63-M372 HydrophobicContact CB-SD 4.47Å; I63-M372 HydrophobicContact CG2-CB 4.47Å; I63-M372 HydrophobicContact CG2-CG 3.76Å; I63-M372 HydrophobicContact CG2-SD 3.97Å; I63-M372 WeakPolarHBondContact O-CA 3.39Å; I63-L373 PolarHBondContact O-N 3.36Å
64	C	98.9	Very high	94.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.3	178.7	-58.1	0	0	0	0	110.3	M79 M84 I86 R88 T377 V387	C64-M79 HydrophobicContact CB-CE 3.55Å; C64-M84 HydrophobicContact CB-CG 3.92Å; C64-M84 HydrophobicContact CB-SD 3.6Å; C64-I86 PolarHBondContact N-O 2.85Å; C64-R88 PolarHBondContact O-N 3.13Å; C64-T377 HydrophobicContact CB-CG2 4.14Å; C64-V387 VanDerWaalsContact SG-CG2 3.54Å
65	T	98.8	Very high	95.4	Very high	5 Å²	5	38 Å²	38	3%	0.031	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	127.4	172.1	-54.4	0	0	0	0	109.7	R88 N90 L373 S374 T377 A378	T65-R88 WeakPolarHBondContact CA-O 3.32Å; T65-R88 HydrophobicContact CG2-CG 4.45Å; T65-R88 WeakPolarHBondContact OG1-CD 3.43Å; T65-R88 PolarHBondContact OG1-NH1 2.78Å; T65-N90 HydrophobicContact CG2-CB 4.17Å; T65-L373 WeakPolarHBondContact CB-O 3.19Å; T65-L373 PolarHBondContact N-O 3.24Å; T65-L373 PolarHBondContact OG1-O 2.89Å; T65-S374 WeakPolarHBondContact OG1-CA 3.42Å; T65-T377 PolarHBondContact N-OG1 3.07Å; T65-T377 CarbonylContact O-C 3.5Å; T65-T377 PolarHBondContact O-OG1 3.17Å; T65-A378 HydrophobicContact CG2-CB 3.9Å; T65-A378 PolarHBondContact O-N 2.96Å
66	I	98.6	Very high	96.4	Very high	8 Å²	8	35 Å²	35	4%	0.041	18%	0.182	C	C	.	.			trans	-91.8	129.9	-179.3	-50.4	-53.2	0	0	0	109.9	R71 L76 M84 A87 R88 L89 T102 I106	I66-R71 HydrophobicContact CG2-CB 4.46Å; I66-L76 HydrophobicContact CD1-CD2 3.84Å; I66-L76 HydrophobicContact CG1-CD2 4.45Å; I66-L76 HydrophobicContact CG2-CD2 4.39Å; I66-M84 HydrophobicContact CD1-SD 3.89Å; I66-A87 HydrophobicContact CD1-CB 4.17Å; I66-A87 HydrophobicContact CG1-CB 3.76Å; I66-R88 PolarHBondContact N-O 3.08Å; I66-L89 HydrophobicContact CB-CD2 4.27Å; I66-T102 HydrophobicContact CB-CG2 4.08Å; I66-T102 HydrophobicContact CG2-CG2 3.53Å; I66-I106 HydrophobicContact CG1-CD1 4.24Å
67	G	97.7	Very high	97.4	Very high	4 Å²	4	28.8 Å²	28.8	4%	0.041	16%	0.16	C	C	.	.			trans	-154.1	-169.7	179.9	0	0	0	0	0	111.5	A69 C70 R71 A378	G67-A69 PolarHBondContact O-N 3.13Å; G67-C70 PolarHBondContact O-N 2.98Å; G67-R71 WeakPolarHBondContact O-CB 3.47Å; G67-R71 PolarHBondContact O-N 3.16Å; G67-R71 VanDerWaalsContact O-N 3.12Å; G67-A378 CarbonylContact C-O 3.54Å; G67-A378 VanDerWaalsContact CA-O 3.28Å; G67-A378 WeakPolarHBondContact CA-O 3.11Å
68	P	97	Very high	97.8	Very high	110 Å²	110	31 Å²	31	71%	0.714	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-32.1	-175.8	-29.2	36.1	0	0	0	115	C70 A378	P68-C70 VanDerWaalsContact C-N 3.29Å; P68-C70 PolarHBondContact O-N 2.95Å; P68-A378 VanDerWaalsContact CD-O 3.31Å; P68-A378 WeakPolarHBondContact CD-O 3.47Å; P68-A378 VanDerWaalsContact N-O 3.14Å
69	A	97.3	Very high	97.9	Very high	35 Å²	35	30.1 Å²	30.1	29%	0.289	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-18.5	-178.6	0	0	0	0	0	114.3	G67 A378 G380 P383	G67-A69 PolarHBondContact O-N 3.13Å; A69-A378 PolarHBondContact N-O 3.26Å; A69-A378 VanDerWaalsContact N-O 3.09Å; A69-G380 VanDerWaalsContact CB-O 3.3Å; A69-G380 WeakPolarHBondContact CB-O 3.27Å; A69-P383 HydrophobicContact CB-CG 4.49Å
70	C	96.9	Very high	97.9	Very high	1 Å²	1	29.9 Å²	29.9	1%	0.007	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.8	16.7	-173.9	64.5	0	0	0	0	115.2	G67 P68 T72 M75 L76 M79 T377 P383	G67-C70 PolarHBondContact O-N 2.98Å; P68-C70 VanDerWaalsContact C-N 3.29Å; P68-C70 PolarHBondContact O-N 2.95Å; C70-T72 VanDerWaalsContact C-N 3.29Å; C70-T72 PolarHBondContact O-N 3.49Å; C70-M75 HydrophobicContact CB-CG 3.82Å; C70-L76 WeakPolarHBondContact O-CG 3.4Å; C70-M79 HydrophobicContact CB-CE 4.45Å; C70-M79 HydrophobicContact CB-SD 3.43Å; C70-M79 WeakPolarHBondContact CB-SD 3.43Å; C70-T377 PolarHBondContact SG-O 3.4Å; C70-P383 HydrophobicContact CB-CB 4.42Å
71	R	96.2	Very high	97.7	Very high	45 Å²	45	33.1 Å²	33.1	17%	0.17	19%	0.186	C	C	.	.			trans	-90.2	49.5	-178.6	-167.1	-176.1	-178	-107.2	12.6	112.8	I66 G67 Y98 E101 T102 L105	I66-R71 HydrophobicContact CG2-CB 4.46Å; G67-R71 WeakPolarHBondContact O-CB 3.47Å; G67-R71 PolarHBondContact O-N 3.16Å; G67-R71 VanDerWaalsContact O-N 3.12Å; R71-Y98 WeakPolarHBondContact CD-OH 3.18Å; R71-Y98 PolarHBondContact NH2-O 2.98Å; R71-E101 IonicContact CZ-OE2 2.83Å; R71-E101 VanDerWaalsContact CZ-OE2 3.27Å; R71-E101 IonicContact NH1-OE1 3.78Å; R71-E101 IonicContact NH1-OE2 2.72Å; R71-E101 PolarHBondContact NH1-OE2 2.8Å; R71-E101 VanDerWaalsContact NH2-CB 3.32Å; R71-E101 VanDerWaalsContact NH2-CD 3.26Å; R71-E101 IonicContact NH2-OE2 3.25Å; R71-E101 PolarHBondContact NH2-OE2 3.43Å; R71-T102 HydrophobicContact CG-CG2 4.45Å; R71-T102 PolarHBondContact NE-OG1 3.43Å; R71-L105 HydrophobicContact CG-CD1 3.79Å
72	T	97.6	Very high	97.5	Very high	78 Å²	78	33.8 Å²	33.8	48%	0.479	19%	0.19	S	C	.	.	S	Bend	trans	-130.2	150.2	169.8	67.8	0	0	0	0	109.6	C70 E74 M75 L76	C70-T72 VanDerWaalsContact C-N 3.29Å; C70-T72 PolarHBondContact O-N 3.49Å; T72-E74 VanDerWaalsContact C-N 3.27Å; T72-E74 PolarHBondContact O-N 2.95Å; T72-M75 PolarHBondContact O-N 3.21Å; T72-M75 VanDerWaalsContact OG1-CB 3.28Å; T72-M75 WeakPolarHBondContact OG1-CB 3.18Å; T72-M75 PolarHBondContact OG1-N 3.1Å; T72-L76 WeakPolarHBondContact O-CB 3.33Å; T72-L76 WeakPolarHBondContact O-CD1 3.28Å; T72-L76 VanDerWaalsContact O-CG 3.22Å; T72-L76 WeakPolarHBondContact O-CG 3.4Å; T72-L76 PolarHBondContact O-N 3.37Å
73	V	97.3	Very high	97.4	Very high	32 Å²	32	34.4 Å²	34.4	19%	0.194	20%	0.196	C	C	.	.	H	α-helix	trans	-56.9	-44	180	178.9	0	0	0	0	111	L76 Q77 L105 E108 A109	V73-L76 PolarHBondContact O-N 2.97Å; V73-Q77 HydrophobicContact CG1-CG 4.46Å; V73-Q77 WeakPolarHBondContact O-CB 3.44Å; V73-Q77 VanDerWaalsContact O-CG 3.28Å; V73-Q77 WeakPolarHBondContact O-CG 2.84Å; V73-Q77 PolarHBondContact O-N 3.24Å; V73-L105 HydrophobicContact CG2-CD2 3.81Å; V73-E108 HydrophobicContact CG1-CG 4.35Å; V73-E108 HydrophobicContact CG2-CB 4.48Å; V73-E108 HydrophobicContact CG2-CG 4.21Å; V73-A109 HydrophobicContact CG1-CB 4.13Å
74	E	97.5	Very high	97.3	Very high	137 Å²	137	34.5 Å²	34.5	64%	0.64	20%	0.197	S	C	*	.	H	α-helix	trans	-61.1	-49.3	178.5	-176	-175.6	173.3	0	0	112.3	T72 L76 Q77 N78	T72-E74 VanDerWaalsContact C-N 3.27Å; T72-E74 PolarHBondContact O-N 2.95Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L76 PolarHBondContact O-N 3.27Å; E74-Q77 WeakPolarHBondContact O-CB 3.36Å; E74-Q77 PolarHBondContact O-N 3.18Å; E74-N78 PolarHBondContact O-N 3.43Å; E74-N78 PolarHBondContact O-ND2 3.07Å
75	M	98	Very high	97.3	Very high	49 Å²	49	35.3 Å²	35.3	24%	0.241	20%	0.201	C	C	.	.	H	α-helix	trans	-65.8	-40.3	179.4	-174.3	57.5	75.6	0	0	111.2	C70 T72 Q77 N78 M79 P383 L384	C70-M75 HydrophobicContact CB-CG 3.82Å; T72-M75 PolarHBondContact O-N 3.21Å; T72-M75 VanDerWaalsContact OG1-CB 3.28Å; T72-M75 WeakPolarHBondContact OG1-CB 3.18Å; T72-M75 PolarHBondContact OG1-N 3.1Å; M75-Q77 PolarHBondContact O-N 3.07Å; M75-N78 PolarHBondContact O-N 2.83Å; M75-M79 HydrophobicContact CG-CG 4.46Å; M75-M79 HydrophobicContact CG-SD 4.33Å; M75-M79 WeakPolarHBondContact O-CG 3.21Å; M75-M79 PolarHBondContact O-N 2.98Å; M75-M79 HydrophobicContact SD-CG 4.49Å; M75-P383 HydrophobicContact CE-CG 4.35Å; M75-P383 HydrophobicContact SD-CG 4.33Å; M75-L384 HydrophobicContact SD-CB 4.22Å
76	L	98.3	Very high	97.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.3	-42.8	175.2	-71.2	167.1	0	0	0	111.4	I66 C70 T72 V73 E74 N78 M79 I80 M84 L105 I106 A109	I66-L76 HydrophobicContact CD1-CD2 3.84Å; I66-L76 HydrophobicContact CG1-CD2 4.45Å; I66-L76 HydrophobicContact CG2-CD2 4.39Å; C70-L76 WeakPolarHBondContact O-CG 3.4Å; T72-L76 WeakPolarHBondContact O-CB 3.33Å; T72-L76 WeakPolarHBondContact O-CD1 3.28Å; T72-L76 VanDerWaalsContact O-CG 3.22Å; T72-L76 WeakPolarHBondContact O-CG 3.4Å; T72-L76 PolarHBondContact O-N 3.37Å; V73-L76 PolarHBondContact O-N 2.97Å; E74-L76 VanDerWaalsContact C-N 3.35Å; E74-L76 PolarHBondContact O-N 3.27Å; L76-N78 VanDerWaalsContact C-N 3.34Å; L76-N78 PolarHBondContact O-N 3.3Å; L76-M79 PolarHBondContact O-N 3.38Å; L76-I80 WeakPolarHBondContact O-CB 3.23Å; L76-I80 WeakPolarHBondContact O-CD1 3.32Å; L76-I80 WeakPolarHBondContact O-CG1 3.29Å; L76-I80 PolarHBondContact O-N 3.25Å; L76-M84 HydrophobicContact CD2-CE 4.16Å; L76-L105 HydrophobicContact CD1-CB 3.9Å; L76-I106 HydrophobicContact CD1-CG1 4.08Å; L76-I106 HydrophobicContact CD2-CG1 4.16Å; L76-A109 HydrophobicContact CB-CB 3.57Å; L76-A109 HydrophobicContact CD1-CB 4.43Å
77	Q	97.2	Very high	97.4	Very high	52 Å²	52	34.7 Å²	34.7	24%	0.243	20%	0.198	C	C	.	.	H	α-helix	trans	-58.8	-46.2	173.6	-76	172.4	-24	0	0	111.3	V73 E74 M75 M79 I80 T81 A109 T112 L113	V73-Q77 HydrophobicContact CG1-CG 4.46Å; V73-Q77 WeakPolarHBondContact O-CB 3.44Å; V73-Q77 VanDerWaalsContact O-CG 3.28Å; V73-Q77 WeakPolarHBondContact O-CG 2.84Å; V73-Q77 PolarHBondContact O-N 3.24Å; E74-Q77 WeakPolarHBondContact O-CB 3.36Å; E74-Q77 PolarHBondContact O-N 3.18Å; M75-Q77 PolarHBondContact O-N 3.07Å; Q77-M79 VanDerWaalsContact C-N 3.34Å; Q77-M79 PolarHBondContact O-N 2.96Å; Q77-I80 PolarHBondContact O-N 3.34Å; Q77-T81 WeakPolarHBondContact O-CG2 3.33Å; Q77-T81 PolarHBondContact O-N 3.3Å; Q77-T81 PolarHBondContact O-OG1 3.04Å; Q77-T81 VanDerWaalsContact O-OG1 3.05Å; Q77-A109 HydrophobicContact CG-CB 3.97Å; Q77-T112 PolarHBondContact NE2-OG1 3.03Å; Q77-L113 HydrophobicContact CB-CD2 4.39Å; Q77-L113 HydrophobicContact CG-CD2 4.25Å
78	N	97.5	Very high	97.4	Very high	60 Å²	60	35.3 Å²	35.3	32%	0.321	20%	0.199	S	C	.	.	H	α-helix	trans	-62.9	-38.5	177.9	-70.5	-24.9	0	0	0	112.5	E74 M75 L76 T81 S82 L384	E74-N78 PolarHBondContact O-N 3.43Å; E74-N78 PolarHBondContact O-ND2 3.07Å; M75-N78 PolarHBondContact O-N 2.83Å; L76-N78 VanDerWaalsContact C-N 3.34Å; L76-N78 PolarHBondContact O-N 3.3Å; N78-T81 WeakPolarHBondContact CA-OG1 3.43Å; N78-T81 PolarHBondContact O-OG1 3.1Å; N78-S82 WeakPolarHBondContact O-CB 3.47Å; N78-S82 PolarHBondContact O-N 3.32Å; N78-S82 PolarHBondContact O-OG 3.1Å; N78-L384 HydrophobicContact CB-CD1 3.81Å; N78-L384 HydrophobicContact CB-CD2 4.18Å; N78-L384 WeakPolarHBondContact O-CD1 3.28Å
79	M	98.2	Very high	97.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-68.1	-43.4	174.9	-70.9	180	75.9	0	0	112	C64 C70 M75 L76 Q77 T81 S82 G83 M84 T377 V387	C64-M79 HydrophobicContact CB-CE 3.55Å; C70-M79 HydrophobicContact CB-CE 4.45Å; C70-M79 HydrophobicContact CB-SD 3.43Å; C70-M79 WeakPolarHBondContact CB-SD 3.43Å; M75-M79 HydrophobicContact CG-CG 4.46Å; M75-M79 HydrophobicContact CG-SD 4.33Å; M75-M79 WeakPolarHBondContact O-CG 3.21Å; M75-M79 PolarHBondContact O-N 2.98Å; M75-M79 HydrophobicContact SD-CG 4.49Å; L76-M79 PolarHBondContact O-N 3.38Å; Q77-M79 VanDerWaalsContact C-N 3.34Å; Q77-M79 PolarHBondContact O-N 2.96Å; M79-T81 VanDerWaalsContact C-N 3.32Å; M79-T81 PolarHBondContact O-N 3.15Å; M79-S82 PolarHBondContact O-N 3.24Å; M79-G83 PolarHBondContact O-N 3.03Å; M79-M84 HydrophobicContact CB-CB 4.16Å; M79-M84 HydrophobicContact CB-CE 4.08Å; M79-M84 HydrophobicContact CB-SD 4.27Å; M79-M84 HydrophobicContact CE-SD 4.03Å; M79-M84 WeakPolarHBondContact O-CB 3.28Å; M79-M84 PolarHBondContact O-N 3.22Å; M79-T377 HydrophobicContact CE-CG2 3.74Å; M79-V387 HydrophobicContact CE-CG2 3.71Å; M79-V387 HydrophobicContact CG-CG2 4.47Å
80	I	97.2	Very high	97.5	Very high	8 Å²	8	30.1 Å²	30.1	4%	0.041	16%	0.16	C	C	.	.	H	α-helix	trans	-62.4	-40.3	176.1	-67.1	165.1	0	0	0	110.8	L76 Q77 S82 M84 A109 A110 L113 R118 I120	L76-I80 WeakPolarHBondContact O-CB 3.23Å; L76-I80 WeakPolarHBondContact O-CD1 3.32Å; L76-I80 WeakPolarHBondContact O-CG1 3.29Å; L76-I80 PolarHBondContact O-N 3.25Å; Q77-I80 PolarHBondContact O-N 3.34Å; I80-S82 VanDerWaalsContact C-N 3.34Å; I80-M84 HydrophobicContact CD1-CE 4.35Å; I80-M84 HydrophobicContact CG1-CE 3.54Å; I80-A109 HydrophobicContact CD1-CB 4.15Å; I80-A110 HydrophobicContact CD1-CB 4.33Å; I80-L113 HydrophobicContact CB-CD1 3.9Å; I80-L113 HydrophobicContact CD1-CD1 4.16Å; I80-L113 HydrophobicContact CG2-CD1 3.34Å; I80-R118 HydrophobicContact CG2-CB 4.18Å; I80-I120 HydrophobicContact CB-CD1 4.36Å; I80-I120 HydrophobicContact CD1-CD1 4.3Å; I80-I120 HydrophobicContact CD1-CG1 3.81Å; I80-I120 HydrophobicContact CG1-CD1 3.77Å; I80-I120 HydrophobicContact CG1-CG1 3.86Å; I80-I120 HydrophobicContact CG2-CD1 3.87Å; I80-I120 HydrophobicContact CG2-CG1 4.3Å
81	T	94.6	Very high	97.4	Very high	67 Å²	67	30.1 Å²	30.1	41%	0.411	16%	0.16	S	C	.	.	H	α-helix	trans	-71.5	-31.3	177.6	55.9	0	0	0	0	112.7	Q77 N78 M79 L113	Q77-T81 WeakPolarHBondContact O-CG2 3.33Å; Q77-T81 PolarHBondContact O-N 3.3Å; Q77-T81 PolarHBondContact O-OG1 3.04Å; Q77-T81 VanDerWaalsContact O-OG1 3.05Å; N78-T81 WeakPolarHBondContact CA-OG1 3.43Å; N78-T81 PolarHBondContact O-OG1 3.1Å; M79-T81 VanDerWaalsContact C-N 3.32Å; M79-T81 PolarHBondContact O-N 3.15Å; T81-L113 HydrophobicContact CG2-CD2 4.01Å
82	S	95.7	Very high	97.1	Very high	19 Å²	19	29 Å²	29	13%	0.133	16%	0.159	C	C	.	.	H	α-helix	trans	-81	-12.1	177	-62.9	0	0	0	0	114.7	N78 M79 I80 L384 Q388	N78-S82 WeakPolarHBondContact O-CB 3.47Å; N78-S82 PolarHBondContact O-N 3.32Å; N78-S82 PolarHBondContact O-OG 3.1Å; M79-S82 PolarHBondContact O-N 3.24Å; I80-S82 VanDerWaalsContact C-N 3.34Å; S82-L384 WeakPolarHBondContact OG-CD1 3.48Å; S82-Q388 PolarHBondContact OG-NE2 2.95Å
83	G	95.4	Very high	96.6	Very high	12 Å²	12	30.8 Å²	30.8	12%	0.124	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	132.4	3.5	169.3	0	0	0	0	0	116.9	R58 M79 N85	R58-G83 PolarHBondContact NH1-O 2.92Å; M79-G83 PolarHBondContact O-N 3.03Å; G83-N85 PolarHBondContact O-N 3.09Å; G83-N85 PolarHBondContact O-OD1 2.78Å
84	M	98.4	Very high	96.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.015	18%	0.178	C	C	.	.			trans	-61.8	130.9	173.7	-179.5	178.3	69.2	0	0	110.9	C64 I66 L76 M79 I80 I120	C64-M84 HydrophobicContact CB-CG 3.92Å; C64-M84 HydrophobicContact CB-SD 3.6Å; I66-M84 HydrophobicContact CD1-SD 3.89Å; L76-M84 HydrophobicContact CD2-CE 4.16Å; M79-M84 HydrophobicContact CB-CB 4.16Å; M79-M84 HydrophobicContact CB-CE 4.08Å; M79-M84 HydrophobicContact CB-SD 4.27Å; M79-M84 HydrophobicContact CE-SD 4.03Å; M79-M84 WeakPolarHBondContact O-CB 3.28Å; M79-M84 PolarHBondContact O-N 3.22Å; I80-M84 HydrophobicContact CD1-CE 4.35Å; I80-M84 HydrophobicContact CG1-CE 3.54Å; M84-I120 VanDerWaalsContact O-CD1 3.3Å; M84-I120 WeakPolarHBondContact O-CD1 3.37Å
85	N	98.7	Very high	96.1	Very high	17 Å²	17	27.9 Å²	27.9	9%	0.091	17%	0.166	C	C	.	.			trans	-112.5	-35.6	179.5	-58.5	99.2	0	0	0	113.3	R58 I62 G83 I120 G121 H476	R58-N85 VanDerWaalsContact CZ-OD1 3.24Å; R58-N85 PolarHBondContact NH1-OD1 3.44Å; R58-N85 VanDerWaalsContact NH2-CG 3.3Å; R58-N85 PolarHBondContact NH2-ND2 3.13Å; R58-N85 PolarHBondContact NH2-OD1 3.06Å; I62-N85 PolarHBondContact N-OD1 3.5Å; I62-N85 PolarHBondContact O-N 3.03Å; G83-N85 PolarHBondContact O-N 3.09Å; G83-N85 PolarHBondContact O-OD1 2.78Å; N85-I120 WeakPolarHBondContact O-CA 3.4Å; N85-G121 PolarHBondContact O-N 3.22Å; N85-H476 HydrophobicContact CB-CB 3.96Å; N85-H476 PolarHBondContact ND2-CE1 2.98Å; N85-H476 PolarHBondContact ND2-ND1 2.65Å; N85-H476 PolarHBondContact O-CD2 2.8Å
86	I	98.9	Very high	96.1	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	127.4	-177.6	-58.8	167.4	0	0	0	107.9	I62 I63 C64 G121 A123 M251 H476 L477	I62-I86 PolarHBondContact O-N 3.47Å; I63-I86 WeakPolarHBondContact CA-O 3.45Å; I63-I86 HydrophobicContact CB-CB 4.44Å; I63-I86 HydrophobicContact CD1-CD1 4.39Å; I63-I86 HydrophobicContact CG1-CB 4Å; I63-I86 HydrophobicContact CG1-CD1 4.05Å; I63-I86 HydrophobicContact CG1-CG2 4.49Å; I63-I86 HydrophobicContact CG2-CB 4.28Å; I63-I86 HydrophobicContact CG2-CG2 4.18Å; C64-I86 PolarHBondContact N-O 2.85Å; I86-G121 CarbonylContact C-O 3.57Å; I86-G121 VanDerWaalsContact CA-O 3.26Å; I86-G121 WeakPolarHBondContact CA-O 3.3Å; I86-A123 HydrophobicContact CG2-CB 3.85Å; I86-M251 HydrophobicContact CD1-CE 4.03Å; I86-M251 HydrophobicContact CD1-SD 4Å; I86-M251 HydrophobicContact CG1-CE 4.41Å; I86-M251 HydrophobicContact CG2-CE 4.45Å; I86-M251 HydrophobicContact CG2-SD 3.99Å; I86-H476 HydrophobicContact CD1-CB 4Å; I86-H476 HydrophobicContact CG1-CB 3.9Å; I86-L477 HydrophobicContact CD1-CD2 3.99Å; I86-L477 HydrophobicContact CD1-CG 4.13Å
87	A	98.9	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.1	172	0	0	0	0	0	109.2	I66 I106 I120 G121 A123	I66-A87 HydrophobicContact CD1-CB 4.17Å; I66-A87 HydrophobicContact CG1-CB 3.76Å; A87-I106 HydrophobicContact CB-CD1 3.56Å; A87-I106 HydrophobicContact CB-CG1 4.15Å; A87-I106 HydrophobicContact CB-CG2 4.26Å; A87-I120 HydrophobicContact CB-CG2 4.39Å; A87-G121 PolarHBondContact N-O 3.15Å; A87-A123 PolarHBondContact O-N 3.48Å
88	R	98.8	Very high	96.1	Very high	16 Å²	16	35.1 Å²	35.1	6%	0.06	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.9	175.7	169.4	179.6	176.4	-97.4	-0.8	110.2	I63 C64 T65 I66 D125 F253 M372	I63-R88 HydrophobicContact CG2-CB 3.88Å; C64-R88 PolarHBondContact O-N 3.13Å; T65-R88 WeakPolarHBondContact CA-O 3.32Å; T65-R88 HydrophobicContact CG2-CG 4.45Å; T65-R88 WeakPolarHBondContact OG1-CD 3.43Å; T65-R88 PolarHBondContact OG1-NH1 2.78Å; I66-R88 PolarHBondContact N-O 3.08Å; R88-D125 HydrophobicContact CG-CB 4.2Å; R88-D125 IonicContact CZ-OD2 2.83Å; R88-D125 IonicContact NE-OD2 3.68Å; R88-D125 PolarHBondContact NE-OD2 3.24Å; R88-D125 IonicContact NH2-OD1 3.81Å; R88-D125 IonicContact NH2-OD2 2.59Å; R88-D125 PolarHBondContact NH2-OD2 2.74Å; R88-F253 HydrophobicContact CB-CE2 4.26Å; R88-F253 HydrophobicContact CG-CD2 4.26Å; R88-F253 HydrophobicContact CG-CE2 4.2Å; R88-M372 WeakPolarHBondContact CD-SD 3.26Å
89	L	98.6	Very high	96.2	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.8	172.9	-52.8	-179.7	0	0	0	108.3	I66 F91 H99 T102 I103 I106 I122 A123 D125	I66-L89 HydrophobicContact CB-CD2 4.27Å; L89-F91 HydrophobicContact CB-CD2 4.14Å; L89-F91 HydrophobicContact CB-CE2 3.75Å; L89-F91 HydrophobicContact CD1-CE2 4.39Å; L89-F91 PolarHBondContact O-N 3.31Å; L89-H99 HydrophobicContact CD1-CB 4.47Å; L89-T102 HydrophobicContact CD2-CG2 3.58Å; L89-I103 HydrophobicContact CD1-CD1 3.84Å; L89-I103 HydrophobicContact CD1-CG1 3.52Å; L89-I106 HydrophobicContact CD2-CD1 4.14Å; L89-I122 HydrophobicContact CD1-CG2 3.96Å; L89-I122 HydrophobicContact CG-CG2 4.39Å; L89-A123 PolarHBondContact N-O 2.62Å; L89-D125 PolarHBondContact O-N 3.19Å
90	N	97.1	Very high	96.2	Very high	36 Å²	36	33.8 Å²	33.8	19%	0.193	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	107.1	-178.8	-177	-3.5	0	0	0	110.7	T65 S92 H93 H99	T65-N90 HydrophobicContact CG2-CB 4.17Å; N90-S92 VanDerWaalsContact C-N 3.29Å; N90-S92 PolarHBondContact O-N 2.89Å; N90-S92 WeakPolarHBondContact OD1-CB 3.16Å; N90-S92 PolarHBondContact OD1-N 3.23Å; N90-S92 PolarHBondContact OD1-OG 2.72Å; N90-H93 PolarHBondContact O-N 2.86Å; N90-H99 PolarHBondContact O-NE2 3.07Å
91	F	95.7	Very high	96.2	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	3.4	-177.7	-81.5	-126	0	0	0	113.9	L89 H93 H96 H99 L124 D125 K236 D240 F243	L89-F91 HydrophobicContact CB-CD2 4.14Å; L89-F91 HydrophobicContact CB-CE2 3.75Å; L89-F91 HydrophobicContact CD1-CE2 4.39Å; L89-F91 PolarHBondContact O-N 3.31Å; F91-H93 PolarHBondContact O-N 2.8Å; F91-H96 AromaticContact CE1-CD2 3.72Å; F91-H96 AromaticContact CE1-NE2 3.94Å; F91-H99 AromaticContact CD2-CD2 3.7Å; F91-H99 AromaticContact CD2-NE2 3.73Å; F91-H99 AromaticContact CE1-CD2 3.91Å; F91-H99 HydrophobicContact CE2-CB 3.85Å; F91-H99 AromaticContact CE2-CD2 3.46Å; F91-H99 VanDerWaalsContact CE2-CD2 3.46Å; F91-H99 WeakPolarHBondContact CE2-CD2 3.43Å; F91-H99 AromaticContact CE2-CG 3.47Å; F91-H99 VanDerWaalsContact CE2-CG 3.47Å; F91-H99 AromaticContact CE2-ND1 3.95Å; F91-H99 AromaticContact CE2-NE2 3.91Å; F91-H99 HydrophobicContact CZ-CB 3.65Å; F91-H99 AromaticContact CZ-CD2 3.58Å; F91-H99 AromaticContact CZ-CG 3.67Å; F91-L124 HydrophobicContact CD1-CD1 4.06Å; F91-L124 HydrophobicContact CD1-CG 4.35Å; F91-L124 HydrophobicContact CD2-CD1 4.07Å; F91-L124 HydrophobicContact CD2-CD2 4.44Å; F91-L124 HydrophobicContact CD2-CG 3.71Å; F91-L124 HydrophobicContact CE1-CD1 3.6Å; F91-L124 HydrophobicContact CE1-CG 4.28Å; F91-L124 HydrophobicContact CE2-CB 4.47Å; F91-L124 HydrophobicContact CE2-CD1 3.64Å; F91-L124 HydrophobicContact CE2-CG 3.65Å; F91-L124 HydrophobicContact CG-CD1 4.28Å; F91-L124 HydrophobicContact CG-CD2 4.41Å; F91-L124 HydrophobicContact CG-CG 4.08Å; F91-L124 HydrophobicContact CZ-CD1 3.38Å; F91-L124 HydrophobicContact CZ-CG 3.95Å; F91-D125 VanDerWaalsContact CB-O 3.3Å; F91-D125 WeakPolarHBondContact CB-O 3.37Å; F91-D125 PolarHBondContact N-O 3.33Å; F91-K236 PolarHBondContact O-NZ 2.95Å; F91-D240 HydrophobicContact CD1-CB 3.81Å; F91-D240 VanDerWaalsContact CD1-CG 3.41Å; F91-D240 WeakPolarHBondContact CD1-OD1 3.42Å; F91-D240 HydrophobicContact CE1-CB 4.28Å; F91-F243 AromaticContact CE1-CD1 3.84Å; F91-F243 HydrophobicContact CE1-CD1 3.84Å; F91-F243 HydrophobicContact CE1-CE1 4.23Å; F91-F243 HydrophobicContact CE1-CG 4.21Å; F91-F243 AromaticContact CZ-CD1 3.55Å; F91-F243 HydrophobicContact CZ-CD1 3.55Å; F91-F243 AromaticContact CZ-CE1 3.55Å; F91-F243 HydrophobicContact CZ-CE1 3.55Å; F91-F243 HydrophobicContact CZ-CG 4.33Å; F91-F243 HydrophobicContact CZ-CZ 4.28Å
92	S	89.1	Confident	96.4	Very high	20 Å²	20	35 Å²	35	14%	0.14	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-15.1	161.8	-59.2	0	0	0	0	111.9	N90 E130	N90-S92 VanDerWaalsContact C-N 3.29Å; N90-S92 PolarHBondContact O-N 2.89Å; N90-S92 WeakPolarHBondContact OD1-CB 3.16Å; N90-S92 PolarHBondContact OD1-N 3.23Å; N90-S92 PolarHBondContact OD1-OG 2.72Å; S92-E130 PolarHBondContact OG-OE1 2.84Å
93	H	88.1	Confident	96.5	Very high	117 Å²	117	34.1 Å²	34.1	54%	0.542	19%	0.188	S	C	.	.	S	Bend	trans	-136.3	163.5	176	-54.3	-73.2	0	0	0	111.7	N90 F91 H99	N90-H93 PolarHBondContact O-N 2.86Å; F91-H93 PolarHBondContact O-N 2.8Å; H93-H99 PolarHBondContact O-NE2 3.29Å
94	G	89.9	Confident	96.7	Very high	51 Å²	51	40.4 Å²	40.4	53%	0.526	21%	0.212	S	C	.	.	S	Bend	trans	75.4	156.6	178.6	0	0	0	0	0	113.6
95	S	95	Very high	96.6	Very high	56 Å²	56	41.6 Å²	41.6	39%	0.392	22%	0.218	S	C	.	.			trans	-89.8	169.4	173.1	75.6	0	0	0	0	111.2	E97 Y98 H99	S95-E97 VanDerWaalsContact C-N 3.25Å; S95-E97 WeakPolarHBondContact CB-OE2 3.4Å; S95-E97 PolarHBondContact O-N 3.21Å; S95-E97 PolarHBondContact OG-N 3Å; S95-E97 PolarHBondContact OG-OE2 3.48Å; S95-Y98 PolarHBondContact O-N 2.95Å; S95-Y98 PolarHBondContact OG-N 3.25Å; S95-H99 PolarHBondContact O-CD2 3.06Å; S95-H99 PolarHBondContact O-N 2.82Å; S95-H99 VanDerWaalsContact O-N 3.12Å
96	H	97.2	Very high	96.6	Very high	54 Å²	54	40.9 Å²	40.9	25%	0.25	21%	0.214	C	C	.	.	H	α-helix	trans	-60.1	-36.6	174	-74.3	-174.4	0	0	0	111.8	F91 Y98 H99 A100 D240 F243	F91-H96 AromaticContact CE1-CD2 3.72Å; F91-H96 AromaticContact CE1-NE2 3.94Å; H96-Y98 PolarHBondContact O-N 3.29Å; H96-H99 PolarHBondContact O-N 2.93Å; H96-A100 VanDerWaalsContact O-CB 3.32Å; H96-A100 WeakPolarHBondContact O-CB 3.28Å; H96-A100 PolarHBondContact O-N 3.22Å; H96-D240 IonicContact CD2-OD1 2.82Å; H96-D240 IonicContact CE1-OD1 3.12Å; H96-D240 IonicContact NE2-OD1 2.82Å; H96-D240 PolarHBondContact NE2-OD1 2.94Å; H96-F243 HydrophobicContact CB-CD2 3.76Å; H96-F243 HydrophobicContact CB-CE2 3.87Å; H96-F243 AromaticContact CG-CD2 3.72Å; H96-F243 AromaticContact ND1-CD2 3.87Å; H96-F243 VanDerWaalsContact O-CE2 3.32Å; H96-F243 WeakPolarHBondContact O-CE2 3.44Å
97	E	97.8	Very high	96.5	Very high	138 Å²	138	45.5 Å²	45.5	65%	0.645	23%	0.232	S	C	*	.	H	α-helix	trans	-63.3	-43.6	176.9	-57.3	73.8	-159.1	0	0	111.5	S95 H99 A100 E101	S95-E97 VanDerWaalsContact C-N 3.25Å; S95-E97 WeakPolarHBondContact CB-OE2 3.4Å; S95-E97 PolarHBondContact O-N 3.21Å; S95-E97 PolarHBondContact OG-N 3Å; S95-E97 PolarHBondContact OG-OE2 3.48Å; E97-H99 VanDerWaalsContact C-N 3.33Å; E97-H99 PolarHBondContact O-N 3.45Å; E97-A100 PolarHBondContact O-N 3.39Å; E97-E101 PolarHBondContact O-N 3.04Å
98	Y	97.9	Very high	96.4	Very high	61 Å²	61	49.7 Å²	49.7	24%	0.239	25%	0.251	C	S	.	.	H	α-helix	trans	-60	-44.1	176.1	176.2	-89.1	0	0	0	111.4	R71 S95 H96 T102	R71-Y98 WeakPolarHBondContact CD-OH 3.18Å; R71-Y98 PolarHBondContact NH2-O 2.98Å; S95-Y98 PolarHBondContact O-N 2.95Å; S95-Y98 PolarHBondContact OG-N 3.25Å; H96-Y98 PolarHBondContact O-N 3.29Å; Y98-T102 PolarHBondContact O-N 3.22Å; Y98-T102 PolarHBondContact O-OG1 2.73Å
99	H	98.3	Very high	96.3	Very high	5 Å²	5	48.9 Å²	48.9	2%	0.023	25%	0.248	C	C	.	.	H	α-helix	trans	-71.6	-36.5	179.1	-70.6	-52.4	0	0	0	112.4	L89 N90 F91 H93 S95 H96 E97 T102 I103 F243	L89-H99 HydrophobicContact CD1-CB 4.47Å; N90-H99 PolarHBondContact O-NE2 3.07Å; F91-H99 AromaticContact CD2-CD2 3.7Å; F91-H99 AromaticContact CD2-NE2 3.73Å; F91-H99 AromaticContact CE1-CD2 3.91Å; F91-H99 HydrophobicContact CE2-CB 3.85Å; F91-H99 AromaticContact CE2-CD2 3.46Å; F91-H99 VanDerWaalsContact CE2-CD2 3.46Å; F91-H99 WeakPolarHBondContact CE2-CD2 3.43Å; F91-H99 AromaticContact CE2-CG 3.47Å; F91-H99 VanDerWaalsContact CE2-CG 3.47Å; F91-H99 AromaticContact CE2-ND1 3.95Å; F91-H99 AromaticContact CE2-NE2 3.91Å; F91-H99 HydrophobicContact CZ-CB 3.65Å; F91-H99 AromaticContact CZ-CD2 3.58Å; F91-H99 AromaticContact CZ-CG 3.67Å; H93-H99 PolarHBondContact O-NE2 3.29Å; S95-H99 PolarHBondContact O-CD2 3.06Å; S95-H99 PolarHBondContact O-N 2.82Å; S95-H99 VanDerWaalsContact O-N 3.12Å; H96-H99 PolarHBondContact O-N 2.93Å; E97-H99 VanDerWaalsContact C-N 3.33Å; E97-H99 PolarHBondContact O-N 3.45Å; H99-T102 WeakPolarHBondContact O-CB 3.04Å; H99-T102 PolarHBondContact O-N 3.3Å; H99-T102 VanDerWaalsContact O-N 3.16Å; H99-I103 WeakPolarHBondContact O-CG1 3.23Å; H99-I103 PolarHBondContact O-N 2.86Å; H99-F243 HydrophobicContact CB-CE1 4.33Å; H99-F243 HydrophobicContact CB-CZ 4.01Å
100	A	98.5	Very high	96.1	Very high	27 Å²	27	49.6 Å²	49.6	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-61.1	-46.6	175.5	0	0	0	0	0	111.8	H96 E97 T102 I103 K104 F243 H247	H96-A100 VanDerWaalsContact O-CB 3.32Å; H96-A100 WeakPolarHBondContact O-CB 3.28Å; H96-A100 PolarHBondContact O-N 3.22Å; E97-A100 PolarHBondContact O-N 3.39Å; A100-T102 VanDerWaalsContact C-N 3.32Å; A100-T102 PolarHBondContact O-N 3.2Å; A100-I103 PolarHBondContact O-N 2.98Å; A100-K104 PolarHBondContact O-N 2.95Å; A100-K104 VanDerWaalsContact O-N 3.11Å; A100-F243 HydrophobicContact CB-CE2 4.04Å; A100-F243 HydrophobicContact CB-CZ 4.08Å; A100-H247 VanDerWaalsContact CB-NE2 3.31Å; A100-H247 WeakPolarHBondContact CB-NE2 3.21Å
101	E	98.3	Very high	95.9	Very high	100 Å²	100	51.4 Å²	51.4	47%	0.467	27%	0.27	S	S	.	.	H	α-helix	trans	-63.8	-39.4	174	175.9	-175.8	-160.9	0	0	111	R71 E97 I103 K104 L105	R71-E101 IonicContact CZ-OE2 2.83Å; R71-E101 VanDerWaalsContact CZ-OE2 3.27Å; R71-E101 IonicContact NH1-OE1 3.78Å; R71-E101 IonicContact NH1-OE2 2.72Å; R71-E101 PolarHBondContact NH1-OE2 2.8Å; R71-E101 VanDerWaalsContact NH2-CB 3.32Å; R71-E101 VanDerWaalsContact NH2-CD 3.26Å; R71-E101 IonicContact NH2-OE2 3.25Å; R71-E101 PolarHBondContact NH2-OE2 3.43Å; E97-E101 PolarHBondContact O-N 3.04Å; E101-I103 VanDerWaalsContact C-N 3.35Å; E101-I103 PolarHBondContact O-N 3.22Å; E101-K104 WeakPolarHBondContact O-CB 3.39Å; E101-K104 PolarHBondContact O-N 3.41Å; E101-K104 VanDerWaalsContact O-N 3.16Å; E101-L105 HydrophobicContact CG-CD1 4.35Å; E101-L105 WeakPolarHBondContact O-CG 3.49Å; E101-L105 PolarHBondContact O-N 2.97Å
102	T	98.5	Very high	95.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60.4	-43.2	176.1	-53.7	0	0	0	0	111.8	I66 R71 L89 Y98 H99 A100 K104 L105 I106	I66-T102 HydrophobicContact CB-CG2 4.08Å; I66-T102 HydrophobicContact CG2-CG2 3.53Å; R71-T102 HydrophobicContact CG-CG2 4.45Å; R71-T102 PolarHBondContact NE-OG1 3.43Å; L89-T102 HydrophobicContact CD2-CG2 3.58Å; Y98-T102 PolarHBondContact O-N 3.22Å; Y98-T102 PolarHBondContact O-OG1 2.73Å; H99-T102 WeakPolarHBondContact O-CB 3.04Å; H99-T102 PolarHBondContact O-N 3.3Å; H99-T102 VanDerWaalsContact O-N 3.16Å; A100-T102 VanDerWaalsContact C-N 3.32Å; A100-T102 PolarHBondContact O-N 3.2Å; T102-K104 VanDerWaalsContact C-N 3.32Å; T102-K104 PolarHBondContact O-N 2.8Å; T102-L105 PolarHBondContact O-N 2.88Å; T102-I106 HydrophobicContact CG2-CD1 3.96Å; T102-I106 WeakPolarHBondContact O-CD1 3.38Å; T102-I106 VanDerWaalsContact O-CG1 3.29Å; T102-I106 WeakPolarHBondContact O-CG1 3.3Å; T102-I106 PolarHBondContact O-N 3.15Å
103	I	98.5	Very high	95.8	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.01	29%	0.287	C	S	.	.	H	α-helix	trans	-59.2	-43.5	175	-70.7	172.6	0	0	0	111	L89 H99 A100 E101 I106 R107 I122 F243 H247 V249	L89-I103 HydrophobicContact CD1-CD1 3.84Å; L89-I103 HydrophobicContact CD1-CG1 3.52Å; H99-I103 WeakPolarHBondContact O-CG1 3.23Å; H99-I103 PolarHBondContact O-N 2.86Å; A100-I103 PolarHBondContact O-N 2.98Å; E101-I103 VanDerWaalsContact C-N 3.35Å; E101-I103 PolarHBondContact O-N 3.22Å; I103-I106 PolarHBondContact O-N 3.01Å; I103-R107 WeakPolarHBondContact O-CG 3.31Å; I103-R107 PolarHBondContact O-N 3.2Å; I103-I122 HydrophobicContact CG1-CD1 4.44Å; I103-I122 HydrophobicContact CG1-CG2 4.17Å; I103-I122 HydrophobicContact CG2-CD1 3.95Å; I103-F243 HydrophobicContact CD1-CE1 3.71Å; I103-F243 HydrophobicContact CD1-CZ 4Å; I103-H247 HydrophobicContact CD1-CB 3.75Å; I103-V249 HydrophobicContact CD1-CG1 3.96Å
104	K	98	Very high	95.7	Very high	144 Å²	144	56.6 Å²	56.6	63%	0.626	30%	0.295	S	S	*	.	H	α-helix	trans	-59.8	-48.1	176.8	-176.2	-174.8	174	-172.1	0	111.2	A100 E101 T102 I106 R107 E108	A100-K104 PolarHBondContact O-N 2.95Å; A100-K104 VanDerWaalsContact O-N 3.11Å; E101-K104 WeakPolarHBondContact O-CB 3.39Å; E101-K104 PolarHBondContact O-N 3.41Å; E101-K104 VanDerWaalsContact O-N 3.16Å; T102-K104 VanDerWaalsContact C-N 3.32Å; T102-K104 PolarHBondContact O-N 2.8Å; K104-I106 PolarHBondContact O-N 3.03Å; K104-R107 PolarHBondContact O-N 2.88Å; K104-E108 WeakPolarHBondContact O-CB 3.41Å; K104-E108 PolarHBondContact O-N 3.44Å
105	L	98.1	Very high	95.5	Very high	27 Å²	27	58.8 Å²	58.8	14%	0.141	30%	0.299	C	S	.	.	H	α-helix	trans	-61.9	-40.9	179.1	-64.6	173.4	0	0	0	112.3	R71 V73 L76 E101 T102 E108 A109	R71-L105 HydrophobicContact CG-CD1 3.79Å; V73-L105 HydrophobicContact CG2-CD2 3.81Å; L76-L105 HydrophobicContact CD1-CB 3.9Å; E101-L105 HydrophobicContact CG-CD1 4.35Å; E101-L105 WeakPolarHBondContact O-CG 3.49Å; E101-L105 PolarHBondContact O-N 2.97Å; T102-L105 PolarHBondContact O-N 2.88Å; L105-E108 PolarHBondContact O-N 3.07Å; L105-A109 WeakPolarHBondContact O-CB 3.18Å; L105-A109 PolarHBondContact O-N 3.08Å
106	I	98	Very high	94.8	Very high	2 Å²	2	56.7 Å²	56.7	1%	0.01	28%	0.283	C	S	.	.	H	α-helix	trans	-61.4	-46.5	176	-67.4	157.9	0	0	0	110.9	I66 L76 A87 L89 T102 I103 K104 A109 A110 I120 I122	I66-I106 HydrophobicContact CG1-CD1 4.24Å; L76-I106 HydrophobicContact CD1-CG1 4.08Å; L76-I106 HydrophobicContact CD2-CG1 4.16Å; A87-I106 HydrophobicContact CB-CD1 3.56Å; A87-I106 HydrophobicContact CB-CG1 4.15Å; A87-I106 HydrophobicContact CB-CG2 4.26Å; L89-I106 HydrophobicContact CD2-CD1 4.14Å; T102-I106 HydrophobicContact CG2-CD1 3.96Å; T102-I106 WeakPolarHBondContact O-CD1 3.38Å; T102-I106 VanDerWaalsContact O-CG1 3.29Å; T102-I106 WeakPolarHBondContact O-CG1 3.3Å; T102-I106 PolarHBondContact O-N 3.15Å; I103-I106 PolarHBondContact O-N 3.01Å; K104-I106 PolarHBondContact O-N 3.03Å; I106-A109 PolarHBondContact O-N 3.28Å; I106-A110 WeakPolarHBondContact O-CB 3.34Å; I106-A110 PolarHBondContact O-N 3.27Å; I106-I120 HydrophobicContact CG2-CG2 3.92Å; I106-I122 HydrophobicContact CB-CD1 4.42Å; I106-I122 HydrophobicContact CG2-CD1 4.07Å; I106-I122 HydrophobicContact CG2-CG1 4.15Å
107	R	96.8	Very high	94.3	Very high	98 Å²	98	57.1 Å²	57.1	37%	0.37	29%	0.291	S	S	.	.	H	α-helix	trans	-65.6	-39.8	179	-72.4	177.1	173.2	157.9	2.6	112	I103 K104 A110 S111 I122 H247 N248	I103-R107 WeakPolarHBondContact O-CG 3.31Å; I103-R107 PolarHBondContact O-N 3.2Å; K104-R107 PolarHBondContact O-N 2.88Å; R107-A110 PolarHBondContact O-N 2.92Å; R107-S111 WeakPolarHBondContact O-CB 3.26Å; R107-S111 PolarHBondContact O-N 3.29Å; R107-S111 PolarHBondContact O-OG 3.5Å; R107-I122 HydrophobicContact CG-CD1 4.33Å; R107-H247 PolarHBondContact NH1-O 2.95Å; R107-H247 PolarHBondContact NH2-O 3.01Å; R107-N248 PolarHBondContact NH2-O 2.81Å
108	E	96.3	Very high	93.9	Very high	87 Å²	87	53.2 Å²	53.2	41%	0.407	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-49.4	174.2	-174	176.7	160.3	0	0	111.3	V73 K104 L105 A110 S111 T112	V73-E108 HydrophobicContact CG1-CG 4.35Å; V73-E108 HydrophobicContact CG2-CB 4.48Å; V73-E108 HydrophobicContact CG2-CG 4.21Å; K104-E108 WeakPolarHBondContact O-CB 3.41Å; K104-E108 PolarHBondContact O-N 3.44Å; L105-E108 PolarHBondContact O-N 3.07Å; E108-A110 VanDerWaalsContact C-N 3.34Å; E108-A110 PolarHBondContact O-N 2.83Å; E108-S111 PolarHBondContact O-N 3.26Å; E108-S111 PolarHBondContact O-OG 3.34Å; E108-T112 WeakPolarHBondContact O-CG2 3.02Å; E108-T112 PolarHBondContact O-N 3.18Å; E108-T112 PolarHBondContact O-OG1 3.31Å
109	A	96.7	Very high	93.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-59.2	-41.9	176.4	0	0	0	0	0	112.4	V73 L76 Q77 I80 L105 I106 T112 L113	V73-A109 HydrophobicContact CG1-CB 4.13Å; L76-A109 HydrophobicContact CB-CB 3.57Å; L76-A109 HydrophobicContact CD1-CB 4.43Å; Q77-A109 HydrophobicContact CG-CB 3.97Å; I80-A109 HydrophobicContact CD1-CB 4.15Å; L105-A109 WeakPolarHBondContact O-CB 3.18Å; L105-A109 PolarHBondContact O-N 3.08Å; I106-A109 PolarHBondContact O-N 3.28Å; A109-T112 PolarHBondContact O-OG1 3.2Å; A109-L113 WeakPolarHBondContact O-CG 3.46Å
110	A	95.6	Very high	93.8	Very high	15 Å²	15	51.4 Å²	51.4	12%	0.124	27%	0.266	C	S	.	.	H	α-helix	trans	-69.9	-40.2	179.3	0	0	0	0	0	113.2	I80 I106 R107 E108 T112 L113 I120	I80-A110 HydrophobicContact CD1-CB 4.33Å; I106-A110 WeakPolarHBondContact O-CB 3.34Å; I106-A110 PolarHBondContact O-N 3.27Å; R107-A110 PolarHBondContact O-N 2.92Å; E108-A110 VanDerWaalsContact C-N 3.34Å; E108-A110 PolarHBondContact O-N 2.83Å; A110-T112 VanDerWaalsContact C-N 3.32Å; A110-T112 PolarHBondContact O-N 2.59Å; A110-L113 PolarHBondContact O-N 2.88Å; A110-I120 HydrophobicContact CB-CG1 4.15Å
111	S	91.9	Very high	93.8	Very high	75 Å²	75	50.1 Å²	50.1	52%	0.524	26%	0.255	S	S	.	.	H	α-helix	trans	-71.3	-25	-176	68	0	0	0	0	114.2	R107 E108	R107-S111 WeakPolarHBondContact O-CB 3.26Å; R107-S111 PolarHBondContact O-N 3.29Å; R107-S111 PolarHBondContact O-OG 3.5Å; E108-S111 PolarHBondContact O-N 3.26Å; E108-S111 PolarHBondContact O-OG 3.34Å
112	T	91.3	Very high	93.8	Very high	64 Å²	64	45.4 Å²	45.4	39%	0.393	23%	0.233	S	C	.	.	H	α-helix	trans	-82.5	-15	-179.2	47.4	0	0	0	0	113.1	Q77 E108 A109 A110 K114	Q77-T112 PolarHBondContact NE2-OG1 3.03Å; E108-T112 WeakPolarHBondContact O-CG2 3.02Å; E108-T112 PolarHBondContact O-N 3.18Å; E108-T112 PolarHBondContact O-OG1 3.31Å; A109-T112 PolarHBondContact O-OG1 3.2Å; A110-T112 VanDerWaalsContact C-N 3.32Å; A110-T112 PolarHBondContact O-N 2.59Å; T112-K114 PolarHBondContact O-N 2.93Å
113	L	90.4	Very high	93.8	Very high	21 Å²	21	45.4 Å²	45.4	11%	0.11	23%	0.233	C	C	.	.			trans	-74.3	126.4	177.1	-65.6	171.7	0	0	0	111.3	Q77 I80 T81 A109 A110 R118	Q77-L113 HydrophobicContact CB-CD2 4.39Å; Q77-L113 HydrophobicContact CG-CD2 4.25Å; I80-L113 HydrophobicContact CB-CD1 3.9Å; I80-L113 HydrophobicContact CD1-CD1 4.16Å; I80-L113 HydrophobicContact CG2-CD1 3.34Å; T81-L113 HydrophobicContact CG2-CD2 4.01Å; A109-L113 WeakPolarHBondContact O-CG 3.46Å; A110-L113 PolarHBondContact O-N 2.88Å; L113-R118 HydrophobicContact CB-CG 4.38Å; L113-R118 HydrophobicContact CD1-CB 4.41Å; L113-R118 HydrophobicContact CD1-CG 4.36Å
114	K	87.4	Confident	93.8	Very high	162 Å²	162	45.4 Å²	45.4	70%	0.704	23%	0.233	S	C	*	.			trans	-117.2	165.4	-179.1	-61.7	-54.4	-178	-163.4	0	110.8	T112	T112-K114 PolarHBondContact O-N 2.93Å
115	P	85.3	Confident	93.8	Very high	97 Å²	97	38.5 Å²	38.5	63%	0.63	20%	0.203	S	C	*	.	S	Bend	cis	-77.3	-19.3	-7.4	31.1	-34	0	0	0	113.7
116	F	81.1	Confident	93.7	Very high	12 Å²	12	37.5 Å²	37.5	5%	0.053	20%	0.198	C	C	.	.	S	Bend	trans	-103.2	135.7	179.1	-60.8	-77.1	0	0	0	110.8	R118 Y504 D507 Y508 K511	F116-R118 PolarHBondContact O-N 3.34Å; F116-Y504 HydrophobicContact CD1-CE1 4.33Å; F116-Y504 HydrophobicContact CD1-CE2 4.26Å; F116-Y504 AromaticContact CD1-CZ 3.75Å; F116-Y504 WeakPolarHBondContact CD1-OH 3.45Å; F116-Y504 HydrophobicContact CE1-CE1 4.4Å; F116-Y504 AromaticContact CE1-CE2 3.88Å; F116-Y504 HydrophobicContact CE1-CE2 3.88Å; F116-Y504 AromaticContact CE1-CZ 3.79Å; F116-D507 WeakPolarHBondContact CZ-OD2 3.41Å; F116-Y508 HydrophobicContact CB-CD2 4.07Å; F116-Y508 HydrophobicContact CB-CE2 4.06Å; F116-Y508 AromaticContact CD1-CD2 3.92Å; F116-Y508 HydrophobicContact CD1-CD2 3.92Å; F116-Y508 AromaticContact CD2-CD2 3.69Å; F116-Y508 HydrophobicContact CD2-CD2 3.69Å; F116-Y508 HydrophobicContact CD2-CE2 4.15Å; F116-Y508 HydrophobicContact CE1-CD2 4.25Å; F116-Y508 HydrophobicContact CE2-CD2 4.02Å; F116-Y508 AromaticContact CG-CD2 3.62Å; F116-Y508 HydrophobicContact CG-CD2 3.62Å; F116-Y508 HydrophobicContact CG-CE2 4.08Å; F116-Y508 HydrophobicContact CZ-CD2 4.29Å; F116-K511 HydrophobicContact CE2-CB 3.91Å; F116-K511 HydrophobicContact CE2-CD 3.42Å; F116-K511 VanDerWaalsContact CE2-CD 3.42Å; F116-K511 HydrophobicContact CE2-CG 4.3Å; F116-K511 HydrophobicContact CZ-CD 3.59Å
117	P	84.9	Confident	93.4	Very high	63 Å²	63	39.1 Å²	39.1	41%	0.409	21%	0.205	S	C	.	.			trans	-52.1	136.8	165.6	-22.6	33	0	0	0	109.9	P119 Y485	P117-P119 WeakPolarHBondContact O-CD 3.27Å; P117-Y485 HydrophobicContact CG-CD1 4.49Å
118	R	89.7	Confident	92.9	Very high	56 Å²	56	34.6 Å²	34.6	21%	0.211	19%	0.189	C	C	.	.			trans	-106.3	102	173.4	-63.2	-168.5	-168.4	-160.5	5.3	108.3	I80 L113 F116 I120 R512	I80-R118 HydrophobicContact CG2-CB 4.18Å; L113-R118 HydrophobicContact CB-CG 4.38Å; L113-R118 HydrophobicContact CD1-CB 4.41Å; L113-R118 HydrophobicContact CD1-CG 4.36Å; F116-R118 PolarHBondContact O-N 3.34Å; R118-I120 PolarHBondContact O-N 3.2Å; R118-R512 VanDerWaalsContact CZ-NH1 3.35Å; R118-R512 VanDerWaalsContact CZ-NH2 3.32Å
119	P	95.8	Very high	92.5	Very high	18 Å²	18	31.4 Å²	31.4	12%	0.117	18%	0.175	C	C	.	.			trans	-56.9	132.9	174.3	-23.1	34.6	0	0	0	109.2	P117 A472 R473 H476 P483	P117-P119 WeakPolarHBondContact O-CD 3.27Å; P119-A472 HydrophobicContact CB-CB 3.95Å; P119-A472 WeakPolarHBondContact CB-O 3.41Å; P119-A472 HydrophobicContact CG-CB 3.78Å; P119-R473 HydrophobicContact CB-CG 4.03Å; P119-H476 PolarHBondContact O-NE2 3.36Å; P119-P483 HydrophobicContact CB-CB 4.4Å; P119-P483 HydrophobicContact CB-CG 4.21Å; P119-P483 HydrophobicContact CG-CB 4.12Å; P119-P483 HydrophobicContact CG-CG 4.2Å
120	I	98.1	Very high	92	Very high	9 Å²	9	33.3 Å²	33.3	5%	0.046	18%	0.184	C	C	.	.			trans	-126.6	122.7	173.8	-66.4	-60.4	0	0	0	107.7	I80 M84 N85 A87 I106 A110 R118 R473	I80-I120 HydrophobicContact CB-CD1 4.36Å; I80-I120 HydrophobicContact CD1-CD1 4.3Å; I80-I120 HydrophobicContact CD1-CG1 3.81Å; I80-I120 HydrophobicContact CG1-CD1 3.77Å; I80-I120 HydrophobicContact CG1-CG1 3.86Å; I80-I120 HydrophobicContact CG2-CD1 3.87Å; I80-I120 HydrophobicContact CG2-CG1 4.3Å; M84-I120 VanDerWaalsContact O-CD1 3.3Å; M84-I120 WeakPolarHBondContact O-CD1 3.37Å; N85-I120 WeakPolarHBondContact O-CA 3.4Å; A87-I120 HydrophobicContact CB-CG2 4.39Å; I106-I120 HydrophobicContact CG2-CG2 3.92Å; A110-I120 HydrophobicContact CB-CG1 4.15Å; R118-I120 PolarHBondContact O-N 3.2Å; I120-R473 WeakPolarHBondContact O-CD 3.33Å; I120-R473 WeakPolarHBondContact O-CG 3.33Å
121	G	98.6	Very high	91.8	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	144.4	173.6	0	0	0	0	0	111.3	N85 I86 A87 D250	N85-G121 PolarHBondContact O-N 3.22Å; I86-G121 CarbonylContact C-O 3.57Å; I86-G121 VanDerWaalsContact CA-O 3.26Å; I86-G121 WeakPolarHBondContact CA-O 3.3Å; A87-G121 PolarHBondContact N-O 3.15Å; G121-D250 WeakPolarHBondContact CA-OD2 3.4Å
122	I	98.8	Very high	91.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	121.7	170.1	-59.3	-180	0	0	0	108.3	L89 I103 I106 R107 V249 D250 M251	L89-I122 HydrophobicContact CD1-CG2 3.96Å; L89-I122 HydrophobicContact CG-CG2 4.39Å; I103-I122 HydrophobicContact CG1-CD1 4.44Å; I103-I122 HydrophobicContact CG1-CG2 4.17Å; I103-I122 HydrophobicContact CG2-CD1 3.95Å; I106-I122 HydrophobicContact CB-CD1 4.42Å; I106-I122 HydrophobicContact CG2-CD1 4.07Å; I106-I122 HydrophobicContact CG2-CG1 4.15Å; R107-I122 HydrophobicContact CG-CD1 4.33Å; I122-V249 HydrophobicContact CG2-CB 4.34Å; I122-V249 HydrophobicContact CG2-CG1 4.09Å; I122-D250 PolarHBondContact N-OD2 3.02Å; I122-D250 PolarHBondContact O-N 3.26Å; I122-M251 PolarHBondContact O-N 2.91Å
123	A	98.9	Very high	92.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	126.6	179	0	0	0	0	0	110.8	I86 A87 L89 M251 F253	I86-A123 HydrophobicContact CG2-CB 3.85Å; A87-A123 PolarHBondContact O-N 3.48Å; L89-A123 PolarHBondContact N-O 2.62Å; A123-M251 WeakPolarHBondContact CA-O 3.3Å; A123-M251 HydrophobicContact CB-CG 3.46Å; A123-M251 VanDerWaalsContact CB-CG 3.46Å; A123-M251 HydrophobicContact CB-SD 4.02Å; A123-F253 HydrophobicContact CB-CD1 4.15Å; A123-F253 HydrophobicContact CB-CD2 3.95Å; A123-F253 HydrophobicContact CB-CE1 3.66Å; A123-F253 HydrophobicContact CB-CE2 3.42Å; A123-F253 VanDerWaalsContact CB-CE2 3.42Å; A123-F253 HydrophobicContact CB-CG 4.31Å; A123-F253 HydrophobicContact CB-CZ 3.27Å
124	L	98.6	Very high	92.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	120.8	167.5	-178	151.4	0	0	0	108.7	F91 T126 D240 F243 A244 V249 M251 V252 F253	F91-L124 HydrophobicContact CD1-CD1 4.06Å; F91-L124 HydrophobicContact CD1-CG 4.35Å; F91-L124 HydrophobicContact CD2-CD1 4.07Å; F91-L124 HydrophobicContact CD2-CD2 4.44Å; F91-L124 HydrophobicContact CD2-CG 3.71Å; F91-L124 HydrophobicContact CE1-CD1 3.6Å; F91-L124 HydrophobicContact CE1-CG 4.28Å; F91-L124 HydrophobicContact CE2-CB 4.47Å; F91-L124 HydrophobicContact CE2-CD1 3.64Å; F91-L124 HydrophobicContact CE2-CG 3.65Å; F91-L124 HydrophobicContact CG-CD1 4.28Å; F91-L124 HydrophobicContact CG-CD2 4.41Å; F91-L124 HydrophobicContact CG-CG 4.08Å; F91-L124 HydrophobicContact CZ-CD1 3.38Å; F91-L124 HydrophobicContact CZ-CG 3.95Å; L124-T126 HydrophobicContact CD2-CG2 3.71Å; L124-D240 HydrophobicContact CD1-CB 4.43Å; L124-D240 VanDerWaalsContact CD1-O 3.29Å; L124-D240 WeakPolarHBondContact CD1-O 3.45Å; L124-D240 HydrophobicContact CD2-CB 4.3Å; L124-F243 HydrophobicContact CD1-CD1 3.99Å; L124-A244 HydrophobicContact CD1-CB 4.05Å; L124-V249 HydrophobicContact CB-CG2 4.41Å; L124-M251 PolarHBondContact N-O 3.49Å; L124-V252 HydrophobicContact CD2-CG1 4.49Å; L124-V252 CarbonylContact O-C 3.38Å; L124-V252 VanDerWaalsContact O-CA 3.29Å; L124-V252 WeakPolarHBondContact O-CA 3.45Å; L124-F253 PolarHBondContact O-N 2.85Å
125	D	98.1	Very high	92.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	113.7	173.6	-167.9	-44.3	0	0	0	109.4	R88 L89 F91 F253 S255 K282	R88-D125 HydrophobicContact CG-CB 4.2Å; R88-D125 IonicContact CZ-OD2 2.83Å; R88-D125 IonicContact NE-OD2 3.68Å; R88-D125 PolarHBondContact NE-OD2 3.24Å; R88-D125 IonicContact NH2-OD1 3.81Å; R88-D125 IonicContact NH2-OD2 2.59Å; R88-D125 PolarHBondContact NH2-OD2 2.74Å; L89-D125 PolarHBondContact O-N 3.19Å; F91-D125 VanDerWaalsContact CB-O 3.3Å; F91-D125 WeakPolarHBondContact CB-O 3.37Å; F91-D125 PolarHBondContact N-O 3.33Å; D125-F253 WeakPolarHBondContact CA-O 3.45Å; D125-F253 HydrophobicContact CB-CB 4.09Å; D125-F253 HydrophobicContact CB-CD2 4.23Å; D125-S255 PolarHBondContact OD1-OG 2.8Å; D125-K282 WeakPolarHBondContact OD1-CE 3.38Å; D125-K282 IonicContact OD1-NZ 3.29Å; D125-K282 PolarHBondContact OD1-NZ 3.42Å; D125-K282 WeakPolarHBondContact OD2-CE 3.46Å; D125-K282 IonicContact OD2-NZ 3.34Å
126	T	96	Very high	93.3	Very high	6 Å²	6	16.6 Å²	16.6	4%	0.037	9%	0.085	C	C	.	.			trans	-69	152.5	-172.4	62.6	0	0	0	0	111.1	L124 G128 V252 F253 S255	L124-T126 HydrophobicContact CD2-CG2 3.71Å; T126-G128 VanDerWaalsContact C-N 3.33Å; T126-G128 PolarHBondContact O-N 2.78Å; T126-V252 HydrophobicContact CG2-CG1 3.72Å; T126-F253 PolarHBondContact N-O 2.83Å; T126-F253 PolarHBondContact OG1-O 2.92Å; T126-S255 WeakPolarHBondContact O-CB 3.49Å; T126-S255 PolarHBondContact O-OG 2.76Å; T126-S255 PolarHBondContact OG1-N 3.4Å
127	K	90.7	Very high	93.8	Very high	36 Å²	36	20.8 Å²	20.8	16%	0.157	11%	0.108	C	C	.	.			trans	-63.4	-43.4	171.8	-179	-175.9	166.8	57.8	0	111	E130 K236 D237	K127-E130 IonicContact NZ-OE2 2.7Å; K127-E130 PolarHBondContact NZ-OE2 3.2Å; K127-E130 WeakPolarHBondContact O-CG 3.45Å; K127-K236 HydrophobicContact CB-CD 4.25Å; K127-K236 HydrophobicContact CD-CD 3.65Å; K127-D237 PolarHBondContact N-OD1 3.47Å
128	G	88	Confident	94	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.031	11%	0.108	C	C	.	.			trans	68.9	-173.5	-176.3	0	0	0	0	0	113.9	T126 E130 D237	T126-G128 VanDerWaalsContact C-N 3.33Å; T126-G128 PolarHBondContact O-N 2.78Å; G128-E130 PolarHBondContact O-N 3.33Å; G128-D237 WeakPolarHBondContact CA-OD2 3.48Å; G128-D237 PolarHBondContact N-OD1 3.08Å
129	P	87.5	Confident	93.9	Very high	19 Å²	19	18.8 Å²	18.8	12%	0.123	11%	0.11	C	C	.	.	S	Bend	trans	-77.9	53	-178.1	34.3	-38.2	0	0	0	112.9	L230 F256	P129-L230 HydrophobicContact CB-CB 3.63Å; P129-L230 HydrophobicContact CB-CD1 4.04Å; P129-L230 HydrophobicContact CB-CG 4.49Å; P129-L230 WeakPolarHBondContact O-CD1 3.26Å; P129-F256 HydrophobicContact CG-CB 3.72Å; P129-F256 HydrophobicContact CG-CD2 4.38Å; P129-F256 HydrophobicContact CG-CG 4.25Å
130	E	85.1	Confident	93.4	Very high	40 Å²	40	20.6 Å²	20.6	19%	0.187	13%	0.133	C	C	.	.			trans	-68.2	138.3	174	-71.6	174	-172.8	0	0	111	S92 K127 G128 R132 F256	S92-E130 PolarHBondContact OG-OE1 2.84Å; K127-E130 IonicContact NZ-OE2 2.7Å; K127-E130 PolarHBondContact NZ-OE2 3.2Å; K127-E130 WeakPolarHBondContact O-CG 3.45Å; G128-E130 PolarHBondContact O-N 3.33Å; E130-R132 IonicContact OE1-NH2 3.08Å; E130-R132 IonicContact OE2-CZ 2.74Å; E130-R132 IonicContact OE2-NE 3.77Å; E130-R132 PolarHBondContact OE2-NE 3.07Å; E130-R132 IonicContact OE2-NH2 3.64Å; E130-R132 PolarHBondContact OE2-NH2 3.46Å; E130-F256 HydrophobicContact CG-CE2 3.94Å
131	I	92.8	Very high	92.9	Very high	9 Å²	9	26.3 Å²	26.3	5%	0.046	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	136.3	165.9	-52.7	171.3	0	0	0	107.9	V171 D172 Y173 G220 V221 L223 V228 L230	I131-V171 HydrophobicContact CG2-CB 4.29Å; I131-D172 WeakPolarHBondContact CA-OD1 3.49Å; I131-Y173 HydrophobicContact CD1-CD1 3.58Å; I131-Y173 HydrophobicContact CD1-CE1 4.28Å; I131-Y173 HydrophobicContact CD1-CG 3.94Å; I131-Y173 HydrophobicContact CG1-CD1 4.38Å; I131-Y173 HydrophobicContact CG1-CG 4.24Å; I131-G220 CarbonylContact O-C 3.56Å; I131-G220 WeakPolarHBondContact O-CA 3.36Å; I131-V221 HydrophobicContact CB-CB 3.95Å; I131-V221 HydrophobicContact CG2-CB 3.77Å; I131-V221 HydrophobicContact CG2-CG1 4.2Å; I131-V221 HydrophobicContact CG2-CG2 4.32Å; I131-V221 PolarHBondContact O-N 3.04Å; I131-L223 HydrophobicContact CD1-CD1 3.55Å; I131-L223 HydrophobicContact CD1-CG 3.97Å; I131-V228 HydrophobicContact CD1-CG1 4.39Å; I131-L230 HydrophobicContact CG1-CD1 3.82Å
132	R	93.6	Very high	92.5	Very high	43 Å²	43	27.9 Å²	27.9	16%	0.162	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	152	179.9	-68	-167.1	173.5	-139.1	8	114.1	E130 V171 D172 R218 K219	E130-R132 IonicContact OE1-NH2 3.08Å; E130-R132 IonicContact OE2-CZ 2.74Å; E130-R132 IonicContact OE2-NE 3.77Å; E130-R132 PolarHBondContact OE2-NE 3.07Å; E130-R132 IonicContact OE2-NH2 3.64Å; E130-R132 PolarHBondContact OE2-NH2 3.46Å; R132-V171 WeakPolarHBondContact O-CA 3.14Å; R132-D172 PolarHBondContact N-OD1 3Å; R132-D172 PolarHBondContact O-N 3.33Å; R132-D172 VanDerWaalsContact O-N 3.08Å; R132-R218 PolarHBondContact NH1-O 3.49Å; R132-K219 CarbonylContact C-O 3.47Å; R132-K219 VanDerWaalsContact CA-O 3.25Å; R132-K219 WeakPolarHBondContact CA-O 3.09Å
133	T	96.3	Very high	92.2	Very high	5 Å²	5	33 Å²	33	3%	0.031	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-76	164	171.8	67	0	0	0	0	112.5	L169 Y170 V188 R218 K219 V221	T133-L169 HydrophobicContact CG2-CD1 3.73Å; T133-L169 HydrophobicContact CG2-CD2 4.15Å; T133-L169 HydrophobicContact CG2-CG 4.22Å; T133-Y170 CarbonylContact C-O 3.58Å; T133-Y170 VanDerWaalsContact CA-O 3.26Å; T133-Y170 WeakPolarHBondContact CA-O 3.49Å; T133-V188 HydrophobicContact CG2-CG1 3.79Å; T133-R218 VanDerWaalsContact O-CA 3.3Å; T133-R218 WeakPolarHBondContact O-CA 3.36Å; T133-R218 PolarHBondContact OG1-N 3.01Å; T133-K219 HydrophobicContact CG2-CB 4.48Å; T133-K219 PolarHBondContact N-O 3.31Å; T133-K219 PolarHBondContact OG1-N 3.26Å; T133-V221 HydrophobicContact CG2-CG2 3.67Å
134	G	95.4	Very high	92	Very high	4 Å²	4	33.6 Å²	33.6	4%	0.041	21%	0.209	C	C	.	.			trans	-74.1	-165.1	173.1	0	0	0	0	0	114.8	M161 Y170 S217 R218	G134-M161 CarbonylContact C-O 3.56Å; G134-M161 WeakPolarHBondContact CA-O 3.48Å; G134-Y170 PolarHBondContact N-O 3.26Å; G134-S217 WeakPolarHBondContact O-CA 3.4Å; G134-R218 PolarHBondContact O-N 3.34Å
135	L	96.1	Very high	91.9	Very high	21 Å²	21	37.4 Å²	37.4	11%	0.11	24%	0.235	C	C	.	.			trans	-86.3	137.1	169.1	-55.8	179.4	0	0	0	110.7	N137 M161 E162 C164 R218	L135-N137 PolarHBondContact O-N 3.13Å; L135-M161 PolarHBondContact N-O 3.06Å; L135-E162 HydrophobicContact CB-CB 4.45Å; L135-E162 HydrophobicContact CD1-CB 4.48Å; L135-E162 HydrophobicContact CD1-CG 3.98Å; L135-E162 HydrophobicContact CG-CG 4.41Å; L135-E162 CarbonylContact O-C 3.59Å; L135-C164 WeakPolarHBondContact O-CB 3.49Å; L135-C164 PolarHBondContact O-N 2.96Å; L135-R218 HydrophobicContact CD2-CG 4.03Å
136	I	95.8	Very high	91.8	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-72.5	111	171.8	-59.3	-57.9	0	0	0	109.4	G138 S139 A142 V144 C164 L215 G216 S217	I136-G138 PolarHBondContact O-N 3.13Å; I136-S139 PolarHBondContact O-N 2.97Å; I136-A142 HydrophobicContact CB-CB 4.26Å; I136-A142 HydrophobicContact CG2-CB 3.91Å; I136-V144 HydrophobicContact CD1-CG2 4.23Å; I136-V144 HydrophobicContact CG2-CG1 3.58Å; I136-C164 CarbonylContact C-O 3.36Å; I136-C164 WeakPolarHBondContact CA-O 3.5Å; I136-C164 HydrophobicContact CD1-CB 3.81Å; I136-L215 HydrophobicContact CD1-CD2 4.05Å; I136-L215 HydrophobicContact CD1-CG 4.08Å; I136-G216 VanDerWaalsContact CG1-C 3.46Å; I136-S217 PolarHBondContact N-OG 2.86Å
137	N	91.7	Very high	91.9	Very high	100 Å²	100	44.2 Å²	44.2	54%	0.535	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.2	42.6	179.6	-65.8	-42.2	0	0	0	113.8	L135 S139 E162 C164	L135-N137 PolarHBondContact O-N 3.13Å; N137-S139 PolarHBondContact O-N 3.25Å; N137-E162 CarbonylContact C-O 3.59Å; N137-C164 PolarHBondContact N-O 3.21Å
138	G	88.7	Confident	92.2	Very high	40 Å²	40	47.4 Å²	47.4	41%	0.412	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	-3.6	179.3	0	0	0	0	0	115.2	I136 E162	I136-G138 PolarHBondContact O-N 3.13Å; G138-E162 VanDerWaalsContact CA-O 3.3Å; G138-E162 WeakPolarHBondContact CA-O 3.38Å; G138-E162 PolarHBondContact N-O 3.47Å
139	S	87.6	Confident	92.6	Very high	37 Å²	37	49.1 Å²	49.1	26%	0.259	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-100	138.8	-176.3	177.2	0	0	0	0	111.9	I136 N137 T141 A142 S217	I136-S139 PolarHBondContact O-N 2.97Å; N137-S139 PolarHBondContact O-N 3.25Å; S139-T141 VanDerWaalsContact C-N 3.28Å; S139-T141 PolarHBondContact OG-N 3.44Å; S139-T141 VanDerWaalsContact OG-N 3.1Å; S139-T141 PolarHBondContact OG-OG1 3.47Å; S139-A142 PolarHBondContact OG-N 3.41Å; S139-S217 PolarHBondContact O-OG 3.33Å
140	G	85.5	Confident	93.1	Very high	57 Å²	57	51.7 Å²	51.7	59%	0.588	32%	0.317	S	S	*	.	S	Bend	trans	-76.3	-14	170.1	0	0	0	0	0	114
141	T	87.1	Confident	93.7	Very high	129 Å²	129	56.4 Å²	56.4	79%	0.791	34%	0.337	S	S	*	.	S	Bend	trans	-121.4	-10	-172.7	57.1	0	0	0	0	114	S139	S139-T141 VanDerWaalsContact C-N 3.28Å; S139-T141 PolarHBondContact OG-N 3.44Å; S139-T141 VanDerWaalsContact OG-N 3.1Å; S139-T141 PolarHBondContact OG-OG1 3.47Å
142	A	90.3	Very high	93.9	Very high	33 Å²	33	56 Å²	56	27%	0.273	34%	0.335	S	S	.	.			trans	-70.9	152.2	175.1	0	0	0	0	0	110.8	I136 S139	I136-A142 HydrophobicContact CB-CB 4.26Å; I136-A142 HydrophobicContact CG2-CB 3.91Å; S139-A142 PolarHBondContact OG-N 3.41Å
143	E	93.1	Very high	94.2	Very high	109 Å²	109	58.5 Å²	58.5	51%	0.509	34%	0.344	S	S	.	.			trans	-129.8	146.9	176.1	-60.9	179.5	152.8	0	0	108.7	K214 L215	E143-K214 WeakPolarHBondContact OE2-CD 3.42Å; E143-K214 IonicContact OE2-NZ 2.73Å; E143-L215 CarbonylContact C-O 3.56Å; E143-L215 VanDerWaalsContact CA-O 3.23Å; E143-L215 WeakPolarHBondContact CA-O 3.44Å
144	V	95	Very high	94.3	Very high	13 Å²	13	58.3 Å²	58.3	8%	0.079	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.3	166.2	-59.8	0	0	0	0	110.1	I136 L146 K214 L215	I136-V144 HydrophobicContact CD1-CG2 4.23Å; I136-V144 HydrophobicContact CG2-CG1 3.58Å; V144-L146 HydrophobicContact CG2-CD2 4.15Å; V144-K214 CarbonylContact O-C 3.53Å; V144-K214 WeakPolarHBondContact O-CA 3.5Å; V144-L215 HydrophobicContact CG2-CB 3.99Å; V144-L215 HydrophobicContact CG2-CD2 4.31Å; V144-L215 PolarHBondContact N-O 3.02Å; V144-L215 PolarHBondContact O-N 3.15Å
145	S	96.3	Very high	94.4	Very high	80 Å²	80	58.3 Å²	58.3	56%	0.559	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	122	172.6	-61.5	0	0	0	0	109.4	G213	S145-G213 WeakPolarHBondContact CA-O 3.46Å
146	L	96.4	Very high	94.4	Very high	8 Å²	8	58.5 Å²	58.5	4%	0.042	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.4	171.2	-59.6	-172.5	0	0	0	108.6	V144 I152 E166 L193 L195 V209 G212 G213 L215	V144-L146 HydrophobicContact CG2-CD2 4.15Å; L146-I152 HydrophobicContact CD1-CD1 4.34Å; L146-I152 HydrophobicContact CD2-CD1 3.88Å; L146-E166 HydrophobicContact CD2-CB 4.48Å; L146-L193 HydrophobicContact CD1-CD1 4.23Å; L146-L195 HydrophobicContact CD1-CD2 4.45Å; L146-V209 HydrophobicContact CB-CG1 4.1Å; L146-V209 HydrophobicContact CB-CG2 4.12Å; L146-G212 CarbonylContact O-C 3.48Å; L146-G212 WeakPolarHBondContact O-CA 2.95Å; L146-G213 PolarHBondContact N-O 3.33Å; L146-G213 PolarHBondContact O-N 3.39Å; L146-L215 HydrophobicContact CD1-CB 4.2Å; L146-L215 HydrophobicContact CD1-CD2 4.19Å; L146-L215 HydrophobicContact CG-CB 4.18Å
147	E	96.7	Very high	94.4	Very high	142 Å²	142	61.3 Å²	61.3	66%	0.664	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-92.1	139.2	178.7	-63.8	-174.7	170.4	0	0	110.9	G149 H150 V209	E147-G149 PolarHBondContact O-N 2.53Å; E147-H150 HydrophobicContact CB-CB 4.46Å; E147-H150 WeakPolarHBondContact O-CB 3.48Å; E147-H150 PolarHBondContact O-N 2.75Å; E147-V209 VanDerWaalsContact O-CB 3.29Å; E147-V209 WeakPolarHBondContact O-CB 3.25Å; E147-V209 WeakPolarHBondContact O-CG1 3.45Å
148	V	97.6	Very high	94.6	Very high	103 Å²	103	60.2 Å²	60.2	62%	0.624	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	133.1	178.2	177	0	0	0	0	110.3	H150	V148-H150 VanDerWaalsContact C-N 3.28Å; V148-H150 PolarHBondContact O-N 3.23Å
149	G	97.1	Very high	94.9	Very high	39 Å²	39	60.7 Å²	60.7	40%	0.402	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-7.1	-176.3	0	0	0	0	0	114.6	E147 V209	E147-G149 PolarHBondContact O-N 2.53Å; G149-V209 PolarHBondContact N-O 3.2Å
150	H	96.6	Very high	95.3	Very high	73 Å²	73	63.1 Å²	63.1	34%	0.338	36%	0.364	S	S	.	.			trans	-68.9	143.3	174.9	-164	80.3	0	0	0	110.8	E147 V148 E166 E208 V209	E147-H150 HydrophobicContact CB-CB 4.46Å; E147-H150 WeakPolarHBondContact O-CB 3.48Å; E147-H150 PolarHBondContact O-N 2.75Å; V148-H150 VanDerWaalsContact C-N 3.28Å; V148-H150 PolarHBondContact O-N 3.23Å; H150-E166 PolarHBondContact CD2-O 3.16Å; H150-E208 WeakPolarHBondContact O-CA 3.46Å; H150-V209 HydrophobicContact CB-CG2 4.4Å; H150-V209 PolarHBondContact O-N 3.47Å
151	K	98	Very high	95.8	Very high	139 Å²	139	64.2 Å²	64.2	60%	0.604	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	130.1	174.9	-69.3	-174.9	178.3	-177.8	0	110.1	C207	K151-C207 CarbonylContact C-O 3.59Å; K151-C207 WeakPolarHBondContact CA-O 3.26Å
152	I	98.2	Very high	96.3	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.9	178	-172.8	168.8	0	0	0	109.9	L146 L169 L195 C207 V209	L146-I152 HydrophobicContact CD1-CD1 4.34Å; L146-I152 HydrophobicContact CD2-CD1 3.88Å; I152-L169 HydrophobicContact CD1-CB 3.97Å; I152-L169 HydrophobicContact CG1-CB 4.34Å; I152-L195 HydrophobicContact CG2-CD1 3.99Å; I152-L195 HydrophobicContact CG2-CD2 3.84Å; I152-L195 HydrophobicContact CG2-CG 4.46Å; I152-C207 HydrophobicContact CG2-CB 4.05Å; I152-C207 PolarHBondContact N-O 3.27Å; I152-C207 WeakPolarHBondContact O-CA 3.34Å; I152-C207 WeakPolarHBondContact O-CB 3.4Å; I152-C207 PolarHBondContact O-N 3.01Å; I152-V209 HydrophobicContact CG2-CG2 4.02Å
153	R	98.4	Very high	96.5	Very high	95 Å²	95	67.9 Å²	67.9	36%	0.358	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	119.4	175.5	-179.1	176.5	-68.2	171.4	-0.9	110	S167 I168 L169 Y204 L205 E206	R153-S167 PolarHBondContact N-O 3.13Å; R153-I168 CarbonylContact O-C 3.56Å; R153-I168 WeakPolarHBondContact O-CA 3.43Å; R153-L169 PolarHBondContact O-N 2.81Å; R153-Y204 HydrophobicContact CG-CD2 3.96Å; R153-Y204 HydrophobicContact CG-CG 4.09Å; R153-L205 WeakPolarHBondContact CA-O 3.31Å; R153-E206 IonicContact CZ-OE1 2.75Å; R153-E206 IonicContact NE-OE1 2.77Å; R153-E206 PolarHBondContact NE-OE1 3.14Å; R153-E206 IonicContact NH2-OE1 3.01Å; R153-E206 PolarHBondContact NH2-OE1 3.34Å
154	V	98.3	Very high	96.7	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.006	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	124.1	169.7	-177.9	0	0	0	0	108.6	L169 V171 I176 I186 L195 Y204 L205	V154-L169 CarbonylContact C-O 3.57Å; V154-L169 VanDerWaalsContact CA-O 3.3Å; V154-L169 WeakPolarHBondContact CA-O 3.29Å; V154-L169 HydrophobicContact CG2-CB 4.45Å; V154-L169 HydrophobicContact CG2-CD2 4.47Å; V154-V171 HydrophobicContact CG1-CB 4.49Å; V154-V171 HydrophobicContact CG1-CG1 3.87Å; V154-V171 HydrophobicContact CG1-CG2 3.77Å; V154-I176 HydrophobicContact CG1-CD1 4.28Å; V154-I186 HydrophobicContact CG2-CD1 4.23Å; V154-L195 HydrophobicContact CG2-CD1 3.84Å; V154-Y204 CarbonylContact O-C 3.42Å; V154-Y204 WeakPolarHBondContact O-CA 3.32Å; V154-Y204 WeakPolarHBondContact O-CB 3.44Å; V154-L205 HydrophobicContact CB-CB 4.32Å; V154-L205 PolarHBondContact N-O 3.34Å; V154-L205 PolarHBondContact O-N 2.89Å
155	T	97.7	Very high	96.7	Very high	5 Å²	5	63.9 Å²	63.9	3%	0.031	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	156.4	-175.7	-175.6	0	0	0	0	112.1	D157 Y160 I168 L169 Y170 V171	T155-D157 PolarHBondContact OG1-N 3.5Å; T155-D157 VanDerWaalsContact OG1-N 3.1Å; T155-Y160 HydrophobicContact CG2-CD2 4.02Å; T155-Y160 HydrophobicContact CG2-CG 4.21Å; T155-I168 HydrophobicContact CG2-CD1 3.98Å; T155-I168 HydrophobicContact CG2-CG1 3.86Å; T155-L169 PolarHBondContact N-O 3.5Å; T155-Y170 CarbonylContact O-C 3.55Å; T155-Y170 WeakPolarHBondContact O-CA 3.45Å; T155-V171 PolarHBondContact O-N 2.93Å
156	T	96.3	Very high	96.6	Very high	25 Å²	25	64.4 Å²	64.4	15%	0.153	33%	0.331	C	S	.	.			trans	-107.6	3.5	171.9	62.3	0	0	0	0	112.7	S158 Y170 V171 Y173 I176 D203	T156-S158 PolarHBondContact O-N 3.41Å; T156-Y170 WeakPolarHBondContact O-CE2 3.46Å; T156-V171 HydrophobicContact CG2-CG2 4.15Å; T156-Y173 WeakPolarHBondContact CG2-O 3.33Å; T156-I176 HydrophobicContact CG2-CG2 3.49Å; T156-I176 VanDerWaalsContact CG2-CG2 3.49Å; T156-D203 PolarHBondContact N-O 2.89Å
157	D	96.4	Very high	96.7	Very high	59 Å²	59	66.9 Å²	66.9	32%	0.316	35%	0.348	S	S	.	.			trans	-68.4	115.9	176.9	178.2	3.5	0	0	0	110.6	T155 A159 Y160 Y170	T155-D157 PolarHBondContact OG1-N 3.5Å; T155-D157 VanDerWaalsContact OG1-N 3.1Å; D157-A159 PolarHBondContact O-N 3.1Å; D157-A159 VanDerWaalsContact OD1-CB 3.32Å; D157-A159 WeakPolarHBondContact OD1-CB 3.31Å; D157-A159 PolarHBondContact OD1-N 3.12Å; D157-Y160 HydrophobicContact CB-CD2 4.05Å; D157-Y160 HydrophobicContact CB-CE2 4.48Å; D157-Y160 PolarHBondContact O-N 3.17Å; D157-Y170 VanDerWaalsContact O-CD2 3.31Å; D157-Y170 WeakPolarHBondContact O-CD2 3.25Å
158	S	95.2	Very high	96.7	Very high	78 Å²	78	61.1 Å²	61.1	55%	0.545	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-56.5	-19.7	178.8	50.9	0	0	0	0	114.2	T156 Y160 M161	T156-S158 PolarHBondContact O-N 3.41Å; S158-Y160 PolarHBondContact O-N 3.48Å; S158-M161 VanDerWaalsContact O-CB 3.25Å; S158-M161 WeakPolarHBondContact O-CB 3.25Å; S158-M161 PolarHBondContact O-N 3.2Å; S158-M161 VanDerWaalsContact O-N 3.15Å
159	A	96	Very high	96.7	Very high	50 Å²	50	56.2 Å²	56.2	41%	0.413	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-62.2	-20.8	174.4	0	0	0	0	0	113.5	D157 K163	D157-A159 PolarHBondContact O-N 3.1Å; D157-A159 VanDerWaalsContact OD1-CB 3.32Å; D157-A159 WeakPolarHBondContact OD1-CB 3.31Å; D157-A159 PolarHBondContact OD1-N 3.12Å; A159-K163 WeakPolarHBondContact O-CD 3.47Å
160	Y	95.9	Very high	96.7	Very high	87 Å²	87	55.6 Å²	55.6	34%	0.341	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-104.2	3.1	178.2	-61.9	-82.2	0	0	0	114	T155 D157 S158 E162 K163 I168 Y170	T155-Y160 HydrophobicContact CG2-CD2 4.02Å; T155-Y160 HydrophobicContact CG2-CG 4.21Å; D157-Y160 HydrophobicContact CB-CD2 4.05Å; D157-Y160 HydrophobicContact CB-CE2 4.48Å; D157-Y160 PolarHBondContact O-N 3.17Å; S158-Y160 PolarHBondContact O-N 3.48Å; Y160-E162 PolarHBondContact O-N 3.05Å; Y160-K163 HydrophobicContact CD1-CB 4.29Å; Y160-K163 PolarHBondContact O-N 3.42Å; Y160-I168 HydrophobicContact CD1-CD1 3.43Å; Y160-I168 VanDerWaalsContact CD1-CD1 3.43Å; Y160-I168 HydrophobicContact CD1-CG1 4.05Å; Y160-I168 HydrophobicContact CD1-CG2 4.03Å; Y160-I168 HydrophobicContact CD2-CD1 3.9Å; Y160-I168 HydrophobicContact CE1-CD1 3.46Å; Y160-I168 VanDerWaalsContact CE1-CD1 3.46Å; Y160-I168 HydrophobicContact CE1-CG1 4.49Å; Y160-I168 HydrophobicContact CE1-CG2 4.49Å; Y160-I168 HydrophobicContact CE2-CD1 3.93Å; Y160-I168 HydrophobicContact CG-CD1 3.65Å; Y160-I168 HydrophobicContact CG-CG1 4.19Å; Y160-Y170 WeakPolarHBondContact O-CB 3.49Å
161	M	95.8	Very high	96.8	Very high	80 Å²	80	52.2 Å²	52.2	39%	0.394	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.5	-179.3	-171.8	-172.8	-40.9	0	0	112.9	G134 L135 S158 Y170	G134-M161 CarbonylContact C-O 3.56Å; G134-M161 WeakPolarHBondContact CA-O 3.48Å; L135-M161 PolarHBondContact N-O 3.06Å; S158-M161 VanDerWaalsContact O-CB 3.25Å; S158-M161 WeakPolarHBondContact O-CB 3.25Å; S158-M161 PolarHBondContact O-N 3.2Å; S158-M161 VanDerWaalsContact O-N 3.15Å; M161-Y170 HydrophobicContact CB-CD1 4.11Å; M161-Y170 HydrophobicContact CB-CD2 4.41Å; M161-Y170 HydrophobicContact CB-CE1 4.12Å; M161-Y170 HydrophobicContact CB-CE2 4.41Å; M161-Y170 HydrophobicContact CB-CG 4.25Å; M161-Y170 HydrophobicContact CG-CD1 3.97Å; M161-Y170 HydrophobicContact CG-CE1 3.69Å
162	E	96.3	Very high	96.6	Very high	116 Å²	116	49 Å²	49	54%	0.542	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	16.5	177.6	-56.4	-170.7	167.4	0	0	113.1	L135 N137 G138 Y160	L135-E162 HydrophobicContact CB-CB 4.45Å; L135-E162 HydrophobicContact CD1-CB 4.48Å; L135-E162 HydrophobicContact CD1-CG 3.98Å; L135-E162 HydrophobicContact CG-CG 4.41Å; L135-E162 CarbonylContact O-C 3.59Å; N137-E162 CarbonylContact C-O 3.59Å; G138-E162 VanDerWaalsContact CA-O 3.3Å; G138-E162 WeakPolarHBondContact CA-O 3.38Å; G138-E162 PolarHBondContact N-O 3.47Å; Y160-E162 PolarHBondContact O-N 3.05Å
163	K	95.9	Very high	96.4	Very high	124 Å²	124	49.2 Å²	49.2	54%	0.539	25%	0.252	S	S	.	.			trans	-128.8	29.9	-175.5	-55.8	179.4	-174.2	166	0	112.1	A159 Y160 I168	A159-K163 WeakPolarHBondContact O-CD 3.47Å; Y160-K163 HydrophobicContact CD1-CB 4.29Å; Y160-K163 PolarHBondContact O-N 3.42Å; K163-I168 WeakPolarHBondContact O-CG2 3.17Å
164	C	96.3	Very high	96.2	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-67.2	139	175.4	-62.9	0	0	0	0	110	L135 I136 N137 I168 L169 Y170	L135-C164 WeakPolarHBondContact O-CB 3.49Å; L135-C164 PolarHBondContact O-N 2.96Å; I136-C164 CarbonylContact C-O 3.36Å; I136-C164 WeakPolarHBondContact CA-O 3.5Å; I136-C164 HydrophobicContact CD1-CB 3.81Å; N137-C164 PolarHBondContact N-O 3.21Å; C164-I168 CarbonylContact C-O 3.55Å; C164-I168 VanDerWaalsContact CA-O 3.28Å; C164-I168 WeakPolarHBondContact CA-O 3.07Å; C164-L169 HydrophobicContact CB-CD1 4.28Å; C164-Y170 PolarHBondContact SG-N 3.35Å
165	N	95.7	Very high	96	Very high	38 Å²	38	56.8 Å²	56.8	20%	0.203	28%	0.284	C	S	.	.			trans	-154.6	-166.4	177.7	63.7	38.2	0	0	0	110.5	S167 I168	N165-S167 PolarHBondContact O-N 2.94Å; N165-S167 PolarHBondContact OD1-N 3.26Å; N165-I168 PolarHBondContact N-O 2.91Å; N165-I168 PolarHBondContact OD1-N 3.42Å
166	E	94.9	Very high	95.9	Very high	91 Å²	91	56.5 Å²	56.5	43%	0.425	28%	0.283	S	S	.	.	S	Bend	trans	-63.7	-21.8	-178.9	65.5	-83.6	-166.9	0	0	114.8	L146 H150	L146-E166 HydrophobicContact CD2-CB 4.48Å; H150-E166 PolarHBondContact CD2-O 3.16Å
167	S	96.6	Very high	95.9	Very high	59 Å²	59	55.7 Å²	55.7	41%	0.413	28%	0.278	S	S	.	.	S	Bend	trans	-108.8	-21.4	-177.1	-57	0	0	0	0	114.1	R153 N165	R153-S167 PolarHBondContact N-O 3.13Å; N165-S167 PolarHBondContact O-N 2.94Å; N165-S167 PolarHBondContact OD1-N 3.26Å
168	I	97.2	Very high	95.8	Very high	21 Å²	21	59.5 Å²	59.5	11%	0.108	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.8	179.2	-167.7	152.4	0	0	0	112.4	R153 T155 Y160 K163 C164 N165	R153-I168 CarbonylContact O-C 3.56Å; R153-I168 WeakPolarHBondContact O-CA 3.43Å; T155-I168 HydrophobicContact CG2-CD1 3.98Å; T155-I168 HydrophobicContact CG2-CG1 3.86Å; Y160-I168 HydrophobicContact CD1-CD1 3.43Å; Y160-I168 VanDerWaalsContact CD1-CD1 3.43Å; Y160-I168 HydrophobicContact CD1-CG1 4.05Å; Y160-I168 HydrophobicContact CD1-CG2 4.03Å; Y160-I168 HydrophobicContact CD2-CD1 3.9Å; Y160-I168 HydrophobicContact CE1-CD1 3.46Å; Y160-I168 VanDerWaalsContact CE1-CD1 3.46Å; Y160-I168 HydrophobicContact CE1-CG1 4.49Å; Y160-I168 HydrophobicContact CE1-CG2 4.49Å; Y160-I168 HydrophobicContact CE2-CD1 3.93Å; Y160-I168 HydrophobicContact CG-CD1 3.65Å; Y160-I168 HydrophobicContact CG-CG1 4.19Å; K163-I168 WeakPolarHBondContact O-CG2 3.17Å; C164-I168 CarbonylContact C-O 3.55Å; C164-I168 VanDerWaalsContact CA-O 3.28Å; C164-I168 WeakPolarHBondContact CA-O 3.07Å; N165-I168 PolarHBondContact N-O 2.91Å; N165-I168 PolarHBondContact OD1-N 3.42Å
169	L	97.7	Very high	95.8	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	114.1	-179.9	-176.3	58.6	0	0	0	110.2	T133 I152 R153 V154 T155 C164 V188 L195 L215	T133-L169 HydrophobicContact CG2-CD1 3.73Å; T133-L169 HydrophobicContact CG2-CD2 4.15Å; T133-L169 HydrophobicContact CG2-CG 4.22Å; I152-L169 HydrophobicContact CD1-CB 3.97Å; I152-L169 HydrophobicContact CG1-CB 4.34Å; R153-L169 PolarHBondContact O-N 2.81Å; V154-L169 CarbonylContact C-O 3.57Å; V154-L169 VanDerWaalsContact CA-O 3.3Å; V154-L169 WeakPolarHBondContact CA-O 3.29Å; V154-L169 HydrophobicContact CG2-CB 4.45Å; V154-L169 HydrophobicContact CG2-CD2 4.47Å; T155-L169 PolarHBondContact N-O 3.5Å; C164-L169 HydrophobicContact CB-CD1 4.28Å; L169-V188 HydrophobicContact CD2-CG2 4.35Å; L169-L195 HydrophobicContact CD2-CD1 4.28Å; L169-L215 HydrophobicContact CD1-CD2 3.71Å; L169-L215 HydrophobicContact CD2-CD2 4.45Å
170	Y	98.2	Very high	95.8	Very high	26 Å²	26	55 Å²	55	10%	0.102	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	139.8	168.4	170.9	-93.8	0	0	0	110.8	T133 G134 T155 T156 D157 Y160 M161 C164 D172	T133-Y170 CarbonylContact C-O 3.58Å; T133-Y170 VanDerWaalsContact CA-O 3.26Å; T133-Y170 WeakPolarHBondContact CA-O 3.49Å; G134-Y170 PolarHBondContact N-O 3.26Å; T155-Y170 CarbonylContact O-C 3.55Å; T155-Y170 WeakPolarHBondContact O-CA 3.45Å; T156-Y170 WeakPolarHBondContact O-CE2 3.46Å; D157-Y170 VanDerWaalsContact O-CD2 3.31Å; D157-Y170 WeakPolarHBondContact O-CD2 3.25Å; Y160-Y170 WeakPolarHBondContact O-CB 3.49Å; M161-Y170 HydrophobicContact CB-CD1 4.11Å; M161-Y170 HydrophobicContact CB-CD2 4.41Å; M161-Y170 HydrophobicContact CB-CE1 4.12Å; M161-Y170 HydrophobicContact CB-CE2 4.41Å; M161-Y170 HydrophobicContact CB-CG 4.25Å; M161-Y170 HydrophobicContact CG-CD1 3.97Å; M161-Y170 HydrophobicContact CG-CE1 3.69Å; C164-Y170 PolarHBondContact SG-N 3.35Å; Y170-D172 HydrophobicContact CE1-CB 4.15Å
171	V	96.9	Very high	95.8	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-129	145.2	167.8	-62.8	0	0	0	0	110.8	I131 R132 V154 T155 T156 Y173 I176 V221	I131-V171 HydrophobicContact CG2-CB 4.29Å; R132-V171 WeakPolarHBondContact O-CA 3.14Å; V154-V171 HydrophobicContact CG1-CB 4.49Å; V154-V171 HydrophobicContact CG1-CG1 3.87Å; V154-V171 HydrophobicContact CG1-CG2 3.77Å; T155-V171 PolarHBondContact O-N 2.93Å; T156-V171 HydrophobicContact CG2-CG2 4.15Å; V171-Y173 VanDerWaalsContact C-N 3.26Å; V171-Y173 PolarHBondContact O-N 3.38Å; V171-I176 HydrophobicContact CG2-CD1 3.81Å; V171-I176 HydrophobicContact CG2-CG2 4.09Å; V171-V221 HydrophobicContact CG1-CG2 4.11Å
172	D	94.1	Very high	95.9	Very high	71 Å²	71	58.2 Å²	58.2	38%	0.38	28%	0.28	S	S	.	.	S	Bend	trans	-81.4	3.1	-175.7	63	2.3	0	0	0	115	I131 R132 Y170	I131-D172 WeakPolarHBondContact CA-OD1 3.49Å; R132-D172 PolarHBondContact N-OD1 3Å; R132-D172 PolarHBondContact O-N 3.33Å; R132-D172 VanDerWaalsContact O-N 3.08Å; Y170-D172 HydrophobicContact CE1-CB 4.15Å
173	Y	94.7	Very high	95.9	Very high	5 Å²	5	55 Å²	55	2%	0.02	28%	0.278	C	S	.	.			trans	-97.2	93.5	177.7	-179.6	-139.1	0	0	0	112.7	I131 T156 V171 N175 I176 V179 L223 V228 D229 L230	I131-Y173 HydrophobicContact CD1-CD1 3.58Å; I131-Y173 HydrophobicContact CD1-CE1 4.28Å; I131-Y173 HydrophobicContact CD1-CG 3.94Å; I131-Y173 HydrophobicContact CG1-CD1 4.38Å; I131-Y173 HydrophobicContact CG1-CG 4.24Å; T156-Y173 WeakPolarHBondContact CG2-O 3.33Å; V171-Y173 VanDerWaalsContact C-N 3.26Å; V171-Y173 PolarHBondContact O-N 3.38Å; Y173-N175 HydrophobicContact CD2-CB 4.37Å; Y173-N175 HydrophobicContact CE2-CB 3.63Å; Y173-N175 PolarHBondContact O-N 2.98Å; Y173-N175 VanDerWaalsContact O-N 3.13Å; Y173-I176 HydrophobicContact CD1-CB 3.65Å; Y173-I176 HydrophobicContact CD1-CG1 4.16Å; Y173-I176 HydrophobicContact CE1-CB 4.26Å; Y173-I176 HydrophobicContact CG-CB 4.34Å; Y173-I176 VanDerWaalsContact O-CB 3.26Å; Y173-I176 WeakPolarHBondContact O-CB 3.47Å; Y173-I176 VanDerWaalsContact O-CG2 3.3Å; Y173-I176 WeakPolarHBondContact O-CG2 3.28Å; Y173-I176 PolarHBondContact O-N 2.87Å; Y173-V179 HydrophobicContact CE1-CG2 3.67Å; Y173-V179 WeakPolarHBondContact OH-CG1 3.27Å; Y173-L223 HydrophobicContact CD1-CD1 3.96Å; Y173-L223 HydrophobicContact CE1-CD1 4.04Å; Y173-V228 HydrophobicContact CE1-CG1 4.26Å; Y173-D229 VanDerWaalsContact CE2-OD1 3.27Å; Y173-D229 WeakPolarHBondContact CE2-OD1 3.35Å; Y173-D229 VanDerWaalsContact CZ-OD1 3.31Å; Y173-D229 PolarHBondContact OH-N 3.23Å; Y173-D229 PolarHBondContact OH-OD1 2.71Å; Y173-L230 HydrophobicContact CD2-CD1 4.3Å; Y173-L230 HydrophobicContact CD2-CD2 3.68Å; Y173-L230 HydrophobicContact CD2-CG 3.84Å; Y173-L230 HydrophobicContact CE2-CD2 3.97Å; Y173-L230 HydrophobicContact CE2-CG 3.88Å
174	R	93.4	Very high	96	Very high	210 Å²	210	50.6 Å²	50.6	79%	0.792	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-32.1	-176.8	-66.4	-174.4	-179.5	-178.5	-0.4	114.7	I176	R174-I176 VanDerWaalsContact C-N 3.29Å; R174-I176 PolarHBondContact O-N 3.45Å
175	N	94.7	Very high	96	Very high	45 Å²	45	54.4 Å²	54.4	24%	0.241	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	5.5	-177	-156.4	31.7	0	0	0	113.4	Y173 V177 H178 V179 D229	Y173-N175 HydrophobicContact CD2-CB 4.37Å; Y173-N175 HydrophobicContact CE2-CB 3.63Å; Y173-N175 PolarHBondContact O-N 2.98Å; Y173-N175 VanDerWaalsContact O-N 3.13Å; N175-V177 VanDerWaalsContact C-N 3.25Å; N175-V177 PolarHBondContact O-N 2.77Å; N175-H178 PolarHBondContact O-N 3.48Å; N175-H178 VanDerWaalsContact OD1-CB 3.31Å; N175-H178 WeakPolarHBondContact OD1-CB 3.44Å; N175-H178 PolarHBondContact OD1-CD2 2.8Å; N175-V179 PolarHBondContact O-N 3.24Å; N175-D229 VanDerWaalsContact ND2-CG 3.27Å; N175-D229 PolarHBondContact ND2-OD1 2.76Å; N175-D229 PolarHBondContact ND2-OD2 3.02Å
176	I	96.3	Very high	96.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-54.7	-39.5	-175.3	-166.6	172.1	0	0	0	113	V154 T156 V171 Y173 R174 H178 V179 L180 I186 L205 L223	V154-I176 HydrophobicContact CG1-CD1 4.28Å; T156-I176 HydrophobicContact CG2-CG2 3.49Å; T156-I176 VanDerWaalsContact CG2-CG2 3.49Å; V171-I176 HydrophobicContact CG2-CD1 3.81Å; V171-I176 HydrophobicContact CG2-CG2 4.09Å; Y173-I176 HydrophobicContact CD1-CB 3.65Å; Y173-I176 HydrophobicContact CD1-CG1 4.16Å; Y173-I176 HydrophobicContact CE1-CB 4.26Å; Y173-I176 HydrophobicContact CG-CB 4.34Å; Y173-I176 VanDerWaalsContact O-CB 3.26Å; Y173-I176 WeakPolarHBondContact O-CB 3.47Å; Y173-I176 VanDerWaalsContact O-CG2 3.3Å; Y173-I176 WeakPolarHBondContact O-CG2 3.28Å; Y173-I176 PolarHBondContact O-N 2.87Å; R174-I176 VanDerWaalsContact C-N 3.29Å; R174-I176 PolarHBondContact O-N 3.45Å; I176-H178 VanDerWaalsContact C-N 3.26Å; I176-H178 PolarHBondContact O-N 2.82Å; I176-V179 PolarHBondContact O-N 3.33Å; I176-L180 HydrophobicContact CD1-CD1 4.14Å; I176-L180 HydrophobicContact CG1-CD1 3.69Å; I176-L180 HydrophobicContact CG1-CG 4.23Å; I176-L180 WeakPolarHBondContact O-CG 3.48Å; I176-L180 PolarHBondContact O-N 2.83Å; I176-I186 HydrophobicContact CD1-CD1 4.45Å; I176-L205 HydrophobicContact CD1-CD1 4.37Å; I176-L205 HydrophobicContact CG1-CD1 4.12Å; I176-L223 HydrophobicContact CD1-CD1 4.25Å; I176-L223 HydrophobicContact CD1-CD2 4.21Å; I176-L223 HydrophobicContact CG1-CD1 3.99Å
177	V	96.2	Very high	96.2	Very high	8 Å²	8	50.2 Å²	50.2	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-63.9	-33.9	-179.6	-178.3	0	0	0	0	110.7	N175 K200 G201 L205	N175-V177 VanDerWaalsContact C-N 3.25Å; N175-V177 PolarHBondContact O-N 2.77Å; V177-K200 WeakPolarHBondContact O-CE 3.32Å; V177-K200 PolarHBondContact O-NZ 3.02Å; V177-G201 WeakPolarHBondContact CG1-O 3.39Å; V177-L205 HydrophobicContact CB-CD2 4.5Å; V177-L205 HydrophobicContact CG1-CD2 4.26Å; V177-L205 HydrophobicContact CG2-CD2 4.4Å; V177-L205 HydrophobicContact CG2-CG 4.28Å
178	H	95	Very high	96.2	Very high	139 Å²	139	47.5 Å²	47.5	64%	0.644	24%	0.239	S	C	*	.	H	α-helix	trans	-80.5	-31.7	-177.3	-65.5	-70.8	0	0	0	113.3	N175 I176	N175-H178 PolarHBondContact O-N 3.48Å; N175-H178 VanDerWaalsContact OD1-CB 3.31Å; N175-H178 WeakPolarHBondContact OD1-CB 3.44Å; N175-H178 PolarHBondContact OD1-CD2 2.8Å; I176-H178 VanDerWaalsContact C-N 3.26Å; I176-H178 PolarHBondContact O-N 2.82Å
179	V	94.7	Very high	96	Very high	32 Å²	32	47.5 Å²	47.5	19%	0.194	24%	0.24	C	C	.	.	H	α-helix	trans	-86.7	-16.6	-175.7	-54.5	0	0	0	0	114.1	Y173 N175 I176 L223 A226 H227	Y173-V179 HydrophobicContact CE1-CG2 3.67Å; Y173-V179 WeakPolarHBondContact OH-CG1 3.27Å; N175-V179 PolarHBondContact O-N 3.24Å; I176-V179 PolarHBondContact O-N 3.33Å; V179-L223 HydrophobicContact CG2-CD1 4.38Å; V179-A226 HydrophobicContact CB-CB 4.47Å; V179-A226 HydrophobicContact CG2-CB 4.2Å; V179-H227 WeakPolarHBondContact CG1-O 3.27Å
180	L	96.4	Very high	95.5	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.268	C	S	.	.			trans	-99.9	152	178	-60.5	-175.4	0	0	0	112.2	I176 I186 V197 K200 L205 L223 A226	I176-L180 HydrophobicContact CD1-CD1 4.14Å; I176-L180 HydrophobicContact CG1-CD1 3.69Å; I176-L180 HydrophobicContact CG1-CG 4.23Å; I176-L180 WeakPolarHBondContact O-CG 3.48Å; I176-L180 PolarHBondContact O-N 2.83Å; L180-I186 HydrophobicContact CD1-CD1 3.72Å; L180-I186 HydrophobicContact CD1-CG1 3.67Å; L180-V197 HydrophobicContact CD1-CG2 4.27Å; L180-K200 WeakPolarHBondContact O-CE 3.22Å; L180-K200 PolarHBondContact O-NZ 3.28Å; L180-L205 HydrophobicContact CB-CD1 4.39Å; L180-L205 HydrophobicContact CD1-CD1 3.67Å; L180-L223 HydrophobicContact CD1-CD2 3.91Å; L180-L223 HydrophobicContact CD2-CB 4.28Å; L180-L223 HydrophobicContact CD2-CD1 4.39Å; L180-L223 HydrophobicContact CD2-CD2 4.3Å; L180-A226 HydrophobicContact CD2-CB 3.62Å
181	S	95.5	Very high	95.1	Very high	74 Å²	74	52.6 Å²	52.6	52%	0.517	27%	0.273	S	S	.	.			trans	-120.2	166	175.3	-67.9	0	0	0	0	110.5	G183 S184	S181-G183 PolarHBondContact O-N 3.5Å; S181-S184 PolarHBondContact N-OG 3.26Å; S181-S184 WeakPolarHBondContact O-CB 3.33Å; S181-S184 PolarHBondContact O-N 3.35Å; S181-S184 PolarHBondContact O-OG 3.24Å; S181-S184 VanDerWaalsContact O-OG 3.06Å
182	K	97.2	Very high	94.9	Very high	160 Å²	160	58.3 Å²	58.3	70%	0.696	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	131	168.9	179.5	170.1	-176.9	163.2	0	109.6	L198	K182-L198 WeakPolarHBondContact CD-O 3.45Å; K182-L198 WeakPolarHBondContact CE-O 3.46Å; K182-L198 WeakPolarHBondContact CG-O 3.34Å; K182-L198 PolarHBondContact NZ-O 2.77Å
183	G	97.2	Very high	95	Very high	49 Å²	49	55.1 Å²	55.1	51%	0.505	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-6.1	-174.3	0	0	0	0	0	115.1	S181 V197	S181-G183 PolarHBondContact O-N 3.5Å; G183-V197 PolarHBondContact N-O 2.93Å
184	S	97.3	Very high	95.1	Very high	32 Å²	32	54.9 Å²	54.9	22%	0.224	29%	0.285	C	S	.	.			trans	-63	146.5	171.2	-68.6	0	0	0	0	111.1	S181 V197	S181-S184 PolarHBondContact N-OG 3.26Å; S181-S184 WeakPolarHBondContact O-CB 3.33Å; S181-S184 PolarHBondContact O-N 3.35Å; S181-S184 PolarHBondContact O-OG 3.24Å; S181-S184 VanDerWaalsContact O-OG 3.06Å; S184-V197 PolarHBondContact O-N 3.28Å
185	K	96.9	Very high	95.3	Very high	80 Å²	80	44.9 Å²	44.9	35%	0.348	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	140.9	173.9	-63.7	-163.7	173.6	-151.3	0	110.8	F187 L195 V196 E210	K185-F187 HydrophobicContact CB-CD2 4.37Å; K185-F187 HydrophobicContact CB-CE2 3.9Å; K185-F187 HydrophobicContact CD-CE2 4.15Å; K185-F187 HydrophobicContact CD-CZ 4.12Å; K185-L195 CarbonylContact C-O 3.58Å; K185-L195 WeakPolarHBondContact CA-O 3.23Å; K185-V196 HydrophobicContact CG-CG2 4.43Å; K185-E210 WeakPolarHBondContact CE-OE1 3.4Å; K185-E210 IonicContact NZ-OE1 3.76Å; K185-E210 PolarHBondContact NZ-OE1 3.22Å; K185-E210 IonicContact NZ-OE2 3.75Å; K185-E210 PolarHBondContact NZ-OE2 3.04Å
186	I	97.8	Very high	95.5	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118.8	170.1	-56.5	175	0	0	0	106.5	V154 I176 L180 V188 S194 L195 V197 L205 V221 L223	V154-I186 HydrophobicContact CG2-CD1 4.23Å; I176-I186 HydrophobicContact CD1-CD1 4.45Å; L180-I186 HydrophobicContact CD1-CD1 3.72Å; L180-I186 HydrophobicContact CD1-CG1 3.67Å; I186-V188 HydrophobicContact CG2-CG2 4.23Å; I186-S194 WeakPolarHBondContact O-CA 3.33Å; I186-L195 HydrophobicContact CB-CB 4.22Å; I186-L195 PolarHBondContact N-O 3.4Å; I186-L195 PolarHBondContact O-N 2.94Å; I186-V197 HydrophobicContact CD1-CG2 3.93Å; I186-V197 HydrophobicContact CG1-CG2 4.21Å; I186-L205 HydrophobicContact CD1-CD1 4Å; I186-V221 HydrophobicContact CG2-CG1 3.61Å; I186-L223 HydrophobicContact CB-CD2 4.28Å; I186-L223 HydrophobicContact CG1-CD2 3.96Å; I186-L223 HydrophobicContact CG2-CD2 3.95Å
187	F	97.5	Very high	95.6	Very high	39 Å²	39	44.3 Å²	44.3	17%	0.171	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140.6	175.3	-76.5	-83	0	0	0	109.8	K185 L193 V221 N222 P224 I311	K185-F187 HydrophobicContact CB-CD2 4.37Å; K185-F187 HydrophobicContact CB-CE2 3.9Å; K185-F187 HydrophobicContact CD-CE2 4.15Å; K185-F187 HydrophobicContact CD-CZ 4.12Å; F187-L193 WeakPolarHBondContact CA-O 3.46Å; F187-V221 VanDerWaalsContact O-CA 3.28Å; F187-V221 WeakPolarHBondContact O-CA 3.36Å; F187-N222 HydrophobicContact CB-CB 4.13Å; F187-N222 PolarHBondContact N-O 3.38Å; F187-N222 PolarHBondContact O-N 3.48Å; F187-P224 HydrophobicContact CD2-CG 3.55Å; F187-P224 HydrophobicContact CE2-CG 3.75Å; F187-I311 HydrophobicContact CB-CG2 3.62Å; F187-I311 HydrophobicContact CD1-CG2 4.43Å; F187-I311 HydrophobicContact CD2-CG2 4.19Å; F187-I311 HydrophobicContact CG-CG2 3.84Å
188	V	96.5	Very high	95.7	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144.7	-179.6	-171.1	0	0	0	0	109.4	T133 L169 I186 L192 L193 L215 K219 G220 V221	T133-V188 HydrophobicContact CG2-CG1 3.79Å; L169-V188 HydrophobicContact CD2-CG2 4.35Å; I186-V188 HydrophobicContact CG2-CG2 4.23Å; V188-L192 PolarHBondContact O-N 3.4Å; V188-L193 HydrophobicContact CB-CB 4.14Å; V188-L193 HydrophobicContact CB-CD1 4.43Å; V188-L193 PolarHBondContact N-O 3.5Å; V188-L193 WeakPolarHBondContact O-CB 3.24Å; V188-L193 PolarHBondContact O-N 2.96Å; V188-L215 HydrophobicContact CG1-CD1 3.54Å; V188-K219 HydrophobicContact CG1-CB 4.06Å; V188-G220 WeakPolarHBondContact CA-O 3.3Å; V188-V221 HydrophobicContact CG1-CG2 4.46Å; V188-V221 HydrophobicContact CG2-CG2 4.35Å
189	D	92.2	Very high	95.8	Very high	22 Å²	22	44.5 Å²	44.5	12%	0.118	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	72.2	176.3	-160.2	22.2	0	0	0	113	G191 L192 L193 K219 G220	D189-G191 PolarHBondContact O-N 2.91Å; D189-G191 VanDerWaalsContact O-N 3.13Å; D189-L192 VanDerWaalsContact O-CB 3.32Å; D189-L192 WeakPolarHBondContact O-CB 3.21Å; D189-L192 VanDerWaalsContact O-CG 3.29Å; D189-L192 WeakPolarHBondContact O-CG 3.36Å; D189-L192 PolarHBondContact O-N 2.8Å; D189-L193 HydrophobicContact CB-CD1 4.38Å; D189-K219 HydrophobicContact CB-CB 3.99Å; D189-K219 HydrophobicContact CB-CD 4.37Å; D189-K219 HydrophobicContact CB-CG 4.01Å; D189-K219 VanDerWaalsContact OD1-CD 3.26Å; D189-K219 WeakPolarHBondContact OD1-CD 3.33Å; D189-K219 WeakPolarHBondContact OD1-CE 3.33Å; D189-K219 IonicContact OD1-NZ 2.77Å; D189-K219 PolarHBondContact OD1-NZ 2.99Å; D189-K219 WeakPolarHBondContact OD2-CE 3.27Å; D189-K219 IonicContact OD2-NZ 2.72Å; D189-K219 PolarHBondContact OD2-NZ 3.43Å; D189-G220 PolarHBondContact N-O 3.26Å
190	D	86.9	Confident	96	Very high	114 Å²	114	46.9 Å²	46.9	61%	0.61	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	29.2	-179.7	-57.1	-20.6	0	0	0	113.5	L192	D190-L192 VanDerWaalsContact C-N 3.26Å; D190-L192 PolarHBondContact O-N 3.46Å
191	G	90.4	Very high	95.9	Very high	20 Å²	20	47.6 Å²	47.6	21%	0.206	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	6.6	179.8	0	0	0	0	0	115.2	D189 L193	D189-G191 PolarHBondContact O-N 2.91Å; D189-G191 VanDerWaalsContact O-N 3.13Å; G191-L193 VanDerWaalsContact C-N 3.33Å
192	L	92.1	Very high	95.7	Very high	121 Å²	121	49.3 Å²	49.3	63%	0.634	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-31.6	179.8	-62.9	176.5	0	0	0	112.5	V188 D189 D190	V188-L192 PolarHBondContact O-N 3.4Å; D189-L192 VanDerWaalsContact O-CB 3.32Å; D189-L192 WeakPolarHBondContact O-CB 3.21Å; D189-L192 VanDerWaalsContact O-CG 3.29Å; D189-L192 WeakPolarHBondContact O-CG 3.36Å; D189-L192 PolarHBondContact O-N 2.8Å; D190-L192 VanDerWaalsContact C-N 3.26Å; D190-L192 PolarHBondContact O-N 3.46Å
193	L	96.2	Very high	95.5	Very high	3 Å²	3	45 Å²	45	2%	0.016	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	139.3	175.5	-54	172	0	0	0	108.9	L146 F187 V188 D189 G191 N211 G212 L215	L146-L193 HydrophobicContact CD1-CD1 4.23Å; F187-L193 WeakPolarHBondContact CA-O 3.46Å; V188-L193 HydrophobicContact CB-CB 4.14Å; V188-L193 HydrophobicContact CB-CD1 4.43Å; V188-L193 PolarHBondContact N-O 3.5Å; V188-L193 WeakPolarHBondContact O-CB 3.24Å; V188-L193 PolarHBondContact O-N 2.96Å; D189-L193 HydrophobicContact CB-CD1 4.38Å; G191-L193 VanDerWaalsContact C-N 3.33Å; L193-N211 WeakPolarHBondContact CA-O 3.46Å; L193-G212 VanDerWaalsContact CD2-C 3.44Å; L193-L215 HydrophobicContact CD1-CB 3.84Å; L193-L215 HydrophobicContact CD1-CD1 3.84Å; L193-L215 HydrophobicContact CD1-CG 4.42Å
194	S	97.2	Very high	95.5	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	134.7	173.2	69.3	0	0	0	0	111.6	I186 E210 N211	I186-S194 WeakPolarHBondContact O-CA 3.33Å; S194-E210 PolarHBondContact O-N 2.71Å; S194-E210 WeakPolarHBondContact OG-CB 3.45Å; S194-E210 PolarHBondContact OG-OE2 3.43Å; S194-N211 PolarHBondContact N-O 2.72Å; S194-N211 VanDerWaalsContact N-O 3.14Å; S194-N211 PolarHBondContact O-N 3Å; S194-N211 VanDerWaalsContact O-N 3.11Å; S194-N211 WeakPolarHBondContact OG-CB 3.3Å; S194-N211 PolarHBondContact OG-N 2.87Å; S194-N211 PolarHBondContact OG-ND2 2.67Å; S194-N211 VanDerWaalsContact OG-ND2 3.09Å
195	L	98.1	Very high	95.6	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	146.6	174	-44.1	177.1	0	0	0	109.1	L146 I152 V154 L169 K185 I186 C207 E208 V209	L146-L195 HydrophobicContact CD1-CD2 4.45Å; I152-L195 HydrophobicContact CG2-CD1 3.99Å; I152-L195 HydrophobicContact CG2-CD2 3.84Å; I152-L195 HydrophobicContact CG2-CG 4.46Å; V154-L195 HydrophobicContact CG2-CD1 3.84Å; L169-L195 HydrophobicContact CD2-CD1 4.28Å; K185-L195 CarbonylContact C-O 3.58Å; K185-L195 WeakPolarHBondContact CA-O 3.23Å; I186-L195 HydrophobicContact CB-CB 4.22Å; I186-L195 PolarHBondContact N-O 3.4Å; I186-L195 PolarHBondContact O-N 2.94Å; L195-C207 HydrophobicContact CB-CB 4.02Å; L195-E208 CarbonylContact C-O 3.53Å; L195-E208 VanDerWaalsContact CA-O 3.29Å; L195-E208 WeakPolarHBondContact CA-O 3.47Å; L195-V209 HydrophobicContact CD2-CB 4.27Å; L195-V209 HydrophobicContact CD2-CG2 3.8Å
196	V	98.2	Very high	95.6	Very high	31 Å²	31	42.6 Å²	42.6	19%	0.188	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127	173.4	177.5	0	0	0	0	109.1	K185 L198 C207 E208 E210	K185-V196 HydrophobicContact CG-CG2 4.43Å; V196-L198 PolarHBondContact O-N 3.39Å; V196-C207 CarbonylContact O-C 3.6Å; V196-C207 WeakPolarHBondContact O-CA 3.45Å; V196-E208 PolarHBondContact N-O 2.79Å; V196-E208 PolarHBondContact O-N 2.8Å; V196-E210 HydrophobicContact CG2-CB 3.89Å; V196-E210 HydrophobicContact CG2-CG 4.35Å
197	V	98.4	Very high	95.7	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.006	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	114.8	178.8	179.4	0	0	0	0	109.9	L180 G183 S184 I186 K200 L205	L180-V197 HydrophobicContact CD1-CG2 4.27Å; G183-V197 PolarHBondContact N-O 2.93Å; S184-V197 PolarHBondContact O-N 3.28Å; I186-V197 HydrophobicContact CD1-CG2 3.93Å; I186-V197 HydrophobicContact CG1-CG2 4.21Å; V197-K200 HydrophobicContact CG1-CG 4.37Å; V197-L205 HydrophobicContact CG1-CB 4.45Å; V197-L205 HydrophobicContact CG1-CD2 4.05Å; V197-L205 HydrophobicContact CG2-CD1 4.22Å
198	L	98.3	Very high	95.7	Very high	52 Å²	52	44.4 Å²	44.4	27%	0.272	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-42.9	177.1	-62.4	-175.5	0	0	0	112.4	K182 V196 E206 E208	K182-L198 WeakPolarHBondContact CD-O 3.45Å; K182-L198 WeakPolarHBondContact CE-O 3.46Å; K182-L198 WeakPolarHBondContact CG-O 3.34Å; K182-L198 PolarHBondContact NZ-O 2.77Å; V196-L198 PolarHBondContact O-N 3.39Å; L198-E206 WeakPolarHBondContact CA-O 3.49Å; L198-E206 WeakPolarHBondContact CB-O 3.34Å; L198-E206 PolarHBondContact N-O 2.88Å; L198-E208 HydrophobicContact CD1-CB 3.97Å; L198-E208 HydrophobicContact CD2-CB 4.04Å; L198-E208 HydrophobicContact CG-CB 4.02Å
199	D	97.6	Very high	95.8	Very high	100 Å²	100	44.4 Å²	44.4	54%	0.535	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	165.3	-178.4	-155.8	7	0	0	0	112	E206	D199-E206 HydrophobicContact CB-CB 4.37Å; D199-E206 PolarHBondContact N-O 2.87Å; D199-E206 PolarHBondContact O-N 3.09Å
200	K	97.4	Very high	96	Very high	82 Å²	82	46.5 Å²	46.5	36%	0.357	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.8	-175.3	-58.8	179.5	59.6	172.7	0	111.2	V177 L180 V197 L205	V177-K200 WeakPolarHBondContact O-CE 3.32Å; V177-K200 PolarHBondContact O-NZ 3.02Å; L180-K200 WeakPolarHBondContact O-CE 3.22Å; L180-K200 PolarHBondContact O-NZ 3.28Å; V197-K200 HydrophobicContact CG1-CG 4.37Å; K200-L205 HydrophobicContact CB-CD2 4.24Å; K200-L205 HydrophobicContact CD-CD2 4.45Å; K200-L205 HydrophobicContact CG-CD2 3.71Å
201	G	94.9	Very high	96.4	Very high	15 Å²	15	45.1 Å²	45.1	16%	0.155	24%	0.241	C	C	.	.			trans	-87.5	-175.2	166.3	0	0	0	0	0	112.4	V177 Y204	V177-G201 WeakPolarHBondContact CG1-O 3.39Å; G201-Y204 WeakPolarHBondContact CA-O 3.3Å; G201-Y204 PolarHBondContact N-O 3.46Å
202	P	92.3	Very high	96.6	Very high	110 Å²	110	45.5 Å²	45.5	71%	0.714	25%	0.246	S	C	*	.	S	Bend	trans	-65.2	-39	174.2	24.8	-32.8	0	0	0	113.2	Y204	P202-Y204 HydrophobicContact CG-CE1 4.4Å
203	D	92.6	Very high	96.8	Very high	71 Å²	71	41.2 Å²	41.2	38%	0.38	23%	0.231	S	C	.	.	S	Bend	trans	-136.6	11.5	-174.8	63	-20.2	0	0	0	113.4	T156	T156-D203 PolarHBondContact N-O 2.89Å
204	Y	97.3	Very high	96.8	Very high	63 Å²	63	47.4 Å²	47.4	25%	0.247	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	164	179.4	66.7	-93.9	0	0	0	112.9	R153 V154 G201 P202 E206	R153-Y204 HydrophobicContact CG-CD2 3.96Å; R153-Y204 HydrophobicContact CG-CG 4.09Å; V154-Y204 CarbonylContact O-C 3.42Å; V154-Y204 WeakPolarHBondContact O-CA 3.32Å; V154-Y204 WeakPolarHBondContact O-CB 3.44Å; G201-Y204 WeakPolarHBondContact CA-O 3.3Å; G201-Y204 PolarHBondContact N-O 3.46Å; P202-Y204 HydrophobicContact CG-CE1 4.4Å; Y204-E206 HydrophobicContact CD2-CG 4.15Å; Y204-E206 HydrophobicContact CE2-CG 3.81Å; Y204-E206 WeakPolarHBondContact CE2-OE1 3.29Å
205	L	98.2	Very high	96.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.7	171.9	-59.5	170.2	0	0	0	108.8	R153 V154 I176 V177 L180 I186 V197 K200	R153-L205 WeakPolarHBondContact CA-O 3.31Å; V154-L205 HydrophobicContact CB-CB 4.32Å; V154-L205 PolarHBondContact N-O 3.34Å; V154-L205 PolarHBondContact O-N 2.89Å; I176-L205 HydrophobicContact CD1-CD1 4.37Å; I176-L205 HydrophobicContact CG1-CD1 4.12Å; V177-L205 HydrophobicContact CB-CD2 4.5Å; V177-L205 HydrophobicContact CG1-CD2 4.26Å; V177-L205 HydrophobicContact CG2-CD2 4.4Å; V177-L205 HydrophobicContact CG2-CG 4.28Å; L180-L205 HydrophobicContact CB-CD1 4.39Å; L180-L205 HydrophobicContact CD1-CD1 3.67Å; I186-L205 HydrophobicContact CD1-CD1 4Å; V197-L205 HydrophobicContact CG1-CB 4.45Å; V197-L205 HydrophobicContact CG1-CD2 4.05Å; V197-L205 HydrophobicContact CG2-CD1 4.22Å; K200-L205 HydrophobicContact CB-CD2 4.24Å; K200-L205 HydrophobicContact CD-CD2 4.45Å; K200-L205 HydrophobicContact CG-CD2 3.71Å
206	E	98.4	Very high	96.5	Very high	46 Å²	46	47.5 Å²	47.5	22%	0.215	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	120.4	167.8	-66.7	-63.8	162.4	0	0	107.9	R153 L198 D199 Y204	R153-E206 IonicContact CZ-OE1 2.75Å; R153-E206 IonicContact NE-OE1 2.77Å; R153-E206 PolarHBondContact NE-OE1 3.14Å; R153-E206 IonicContact NH2-OE1 3.01Å; R153-E206 PolarHBondContact NH2-OE1 3.34Å; L198-E206 WeakPolarHBondContact CA-O 3.49Å; L198-E206 WeakPolarHBondContact CB-O 3.34Å; L198-E206 PolarHBondContact N-O 2.88Å; D199-E206 HydrophobicContact CB-CB 4.37Å; D199-E206 PolarHBondContact N-O 2.87Å; D199-E206 PolarHBondContact O-N 3.09Å; Y204-E206 HydrophobicContact CD2-CG 4.15Å; Y204-E206 HydrophobicContact CE2-CG 3.81Å; Y204-E206 WeakPolarHBondContact CE2-OE1 3.29Å
207	C	98.5	Very high	96.3	Very high	0 Å²	0	47 Å²	47	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	159.4	-176.4	-55	0	0	0	0	111.2	K151 I152 L195 V196	K151-C207 CarbonylContact C-O 3.59Å; K151-C207 WeakPolarHBondContact CA-O 3.26Å; I152-C207 HydrophobicContact CG2-CB 4.05Å; I152-C207 PolarHBondContact N-O 3.27Å; I152-C207 WeakPolarHBondContact O-CA 3.34Å; I152-C207 WeakPolarHBondContact O-CB 3.4Å; I152-C207 PolarHBondContact O-N 3.01Å; L195-C207 HydrophobicContact CB-CB 4.02Å; V196-C207 CarbonylContact O-C 3.6Å; V196-C207 WeakPolarHBondContact O-CA 3.45Å
208	E	98.3	Very high	95.9	Very high	79 Å²	79	54.2 Å²	54.2	37%	0.369	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	138.1	167.4	-168.1	174.5	119.3	0	0	109.2	H150 L195 V196 L198 E210	H150-E208 WeakPolarHBondContact O-CA 3.46Å; L195-E208 CarbonylContact C-O 3.53Å; L195-E208 VanDerWaalsContact CA-O 3.29Å; L195-E208 WeakPolarHBondContact CA-O 3.47Å; V196-E208 PolarHBondContact N-O 2.79Å; V196-E208 PolarHBondContact O-N 2.8Å; L198-E208 HydrophobicContact CD1-CB 3.97Å; L198-E208 HydrophobicContact CD2-CB 4.04Å; L198-E208 HydrophobicContact CG-CB 4.02Å; E208-E210 PolarHBondContact O-N 3.5Å
209	V	98.4	Very high	95.7	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.006	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	110.9	173	179.7	0	0	0	0	108.8	L146 E147 G149 H150 I152 L195	L146-V209 HydrophobicContact CB-CG1 4.1Å; L146-V209 HydrophobicContact CB-CG2 4.12Å; E147-V209 VanDerWaalsContact O-CB 3.29Å; E147-V209 WeakPolarHBondContact O-CB 3.25Å; E147-V209 WeakPolarHBondContact O-CG1 3.45Å; G149-V209 PolarHBondContact N-O 3.2Å; H150-V209 HydrophobicContact CB-CG2 4.4Å; H150-V209 PolarHBondContact O-N 3.47Å; I152-V209 HydrophobicContact CG2-CG2 4.02Å; L195-V209 HydrophobicContact CD2-CB 4.27Å; L195-V209 HydrophobicContact CD2-CG2 3.8Å
210	E	97.1	Very high	95.4	Very high	67 Å²	67	50.5 Å²	50.5	31%	0.313	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	-48.5	175.8	178.1	-169.7	-123.7	0	0	110.4	K185 S194 V196 E208	K185-E210 WeakPolarHBondContact CE-OE1 3.4Å; K185-E210 IonicContact NZ-OE1 3.76Å; K185-E210 PolarHBondContact NZ-OE1 3.22Å; K185-E210 IonicContact NZ-OE2 3.75Å; K185-E210 PolarHBondContact NZ-OE2 3.04Å; S194-E210 PolarHBondContact O-N 2.71Å; S194-E210 WeakPolarHBondContact OG-CB 3.45Å; S194-E210 PolarHBondContact OG-OE2 3.43Å; V196-E210 HydrophobicContact CG2-CB 3.89Å; V196-E210 HydrophobicContact CG2-CG 4.35Å; E208-E210 PolarHBondContact O-N 3.5Å
211	N	95.6	Very high	95.4	Very high	84 Å²	84	47 Å²	47	45%	0.449	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	117	170.2	-70.1	-44.3	0	0	0	109.9	L193 S194	L193-N211 WeakPolarHBondContact CA-O 3.46Å; S194-N211 PolarHBondContact N-O 2.72Å; S194-N211 VanDerWaalsContact N-O 3.14Å; S194-N211 PolarHBondContact O-N 3Å; S194-N211 VanDerWaalsContact O-N 3.11Å; S194-N211 WeakPolarHBondContact OG-CB 3.3Å; S194-N211 PolarHBondContact OG-N 2.87Å; S194-N211 PolarHBondContact OG-ND2 2.67Å; S194-N211 VanDerWaalsContact OG-ND2 3.09Å
212	G	94.6	Very high	95.4	Very high	29 Å²	29	46.6 Å²	46.6	30%	0.299	25%	0.246	S	C	.	.			trans	-89.5	176.5	-179.7	0	0	0	0	0	113.8	L146 L193	L146-G212 CarbonylContact O-C 3.48Å; L146-G212 WeakPolarHBondContact O-CA 2.95Å; L193-G212 VanDerWaalsContact CD2-C 3.44Å
213	G	95.6	Very high	95.6	Very high	31 Å²	31	41.4 Å²	41.4	32%	0.32	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	154.1	-166.1	-177.9	0	0	0	0	0	111.9	S145 L146	S145-G213 WeakPolarHBondContact CA-O 3.46Å; L146-G213 PolarHBondContact N-O 3.33Å; L146-G213 PolarHBondContact O-N 3.39Å
214	K	95.6	Very high	95.6	Very high	133 Å²	133	39.9 Å²	39.9	58%	0.578	21%	0.206	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.5	179	-63.2	-165.9	179.2	-173.5	0	110.7	E143 V144	E143-K214 WeakPolarHBondContact OE2-CD 3.42Å; E143-K214 IonicContact OE2-NZ 2.73Å; V144-K214 CarbonylContact O-C 3.53Å; V144-K214 WeakPolarHBondContact O-CA 3.5Å
215	L	95.3	Very high	95.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	119.8	172.6	177	67.1	0	0	0	109.8	I136 E143 V144 L146 L169 V188 L193 K219	I136-L215 HydrophobicContact CD1-CD2 4.05Å; I136-L215 HydrophobicContact CD1-CG 4.08Å; E143-L215 CarbonylContact C-O 3.56Å; E143-L215 VanDerWaalsContact CA-O 3.23Å; E143-L215 WeakPolarHBondContact CA-O 3.44Å; V144-L215 HydrophobicContact CG2-CB 3.99Å; V144-L215 HydrophobicContact CG2-CD2 4.31Å; V144-L215 PolarHBondContact N-O 3.02Å; V144-L215 PolarHBondContact O-N 3.15Å; L146-L215 HydrophobicContact CD1-CB 4.2Å; L146-L215 HydrophobicContact CD1-CD2 4.19Å; L146-L215 HydrophobicContact CG-CB 4.18Å; L169-L215 HydrophobicContact CD1-CD2 3.71Å; L169-L215 HydrophobicContact CD2-CD2 4.45Å; V188-L215 HydrophobicContact CG1-CD1 3.54Å; L193-L215 HydrophobicContact CD1-CB 3.84Å; L193-L215 HydrophobicContact CD1-CD1 3.84Å; L193-L215 HydrophobicContact CD1-CG 4.42Å; L215-K219 HydrophobicContact CD1-CB 4.39Å; L215-K219 HydrophobicContact CD1-CG 4.11Å
216	G	94.1	Very high	94.9	Very high	3 Å²	3	41.3 Å²	41.3	3%	0.031	24%	0.238	C	C	.	.			trans	-95.8	-171.4	169.9	0	0	0	0	0	113.4	I136 K219	I136-G216 VanDerWaalsContact CG1-C 3.46Å; G216-K219 WeakPolarHBondContact O-CG 3.46Å
217	S	93.2	Very high	94.6	Very high	19 Å²	19	45.1 Å²	45.1	13%	0.133	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	147.1	179.4	-65	0	0	0	0	113.2	G134 I136 S139 K219	G134-S217 WeakPolarHBondContact O-CA 3.4Å; I136-S217 PolarHBondContact N-OG 2.86Å; S139-S217 PolarHBondContact O-OG 3.33Å; S217-K219 VanDerWaalsContact C-N 3.27Å; S217-K219 PolarHBondContact O-N 3.41Å
218	R	91.1	Very high	94.2	Very high	154 Å²	154	46.5 Å²	46.5	58%	0.581	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	36.5	172.5	-57.4	-178	178.4	-179.4	0.3	115.1	R132 T133 G134 L135	R132-R218 PolarHBondContact NH1-O 3.49Å; T133-R218 VanDerWaalsContact O-CA 3.3Å; T133-R218 WeakPolarHBondContact O-CA 3.36Å; T133-R218 PolarHBondContact OG1-N 3.01Å; G134-R218 PolarHBondContact O-N 3.34Å; L135-R218 HydrophobicContact CD2-CG 4.03Å
219	K	92.8	Very high	93.8	Very high	53 Å²	53	46.6 Å²	46.6	23%	0.23	27%	0.267	C	S	.	.			trans	-75.8	149.2	177.5	-59.1	-50.3	-163.4	123.8	0	110.8	R132 T133 V188 D189 L215 G216 S217	R132-K219 CarbonylContact C-O 3.47Å; R132-K219 VanDerWaalsContact CA-O 3.25Å; R132-K219 WeakPolarHBondContact CA-O 3.09Å; T133-K219 HydrophobicContact CG2-CB 4.48Å; T133-K219 PolarHBondContact N-O 3.31Å; T133-K219 PolarHBondContact OG1-N 3.26Å; V188-K219 HydrophobicContact CG1-CB 4.06Å; D189-K219 HydrophobicContact CB-CB 3.99Å; D189-K219 HydrophobicContact CB-CD 4.37Å; D189-K219 HydrophobicContact CB-CG 4.01Å; D189-K219 VanDerWaalsContact OD1-CD 3.26Å; D189-K219 WeakPolarHBondContact OD1-CD 3.33Å; D189-K219 WeakPolarHBondContact OD1-CE 3.33Å; D189-K219 IonicContact OD1-NZ 2.77Å; D189-K219 PolarHBondContact OD1-NZ 2.99Å; D189-K219 WeakPolarHBondContact OD2-CE 3.27Å; D189-K219 IonicContact OD2-NZ 2.72Å; D189-K219 PolarHBondContact OD2-NZ 3.43Å; L215-K219 HydrophobicContact CD1-CB 4.39Å; L215-K219 HydrophobicContact CD1-CG 4.11Å; G216-K219 WeakPolarHBondContact O-CG 3.46Å; S217-K219 VanDerWaalsContact C-N 3.27Å; S217-K219 PolarHBondContact O-N 3.41Å
220	G	92.7	Very high	93.4	Very high	21 Å²	21	48.4 Å²	48.4	22%	0.216	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	146.8	175.6	0	0	0	0	0	111.3	I131 V188 D189	I131-G220 CarbonylContact O-C 3.56Å; I131-G220 WeakPolarHBondContact O-CA 3.36Å; V188-G220 WeakPolarHBondContact CA-O 3.3Å; D189-G220 PolarHBondContact N-O 3.26Å
221	V	96.2	Very high	93.1	Very high	7 Å²	7	49.1 Å²	49.1	4%	0.042	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.7	175.8	179.8	0	0	0	0	109	I131 T133 V171 I186 F187 V188 L223	I131-V221 HydrophobicContact CB-CB 3.95Å; I131-V221 HydrophobicContact CG2-CB 3.77Å; I131-V221 HydrophobicContact CG2-CG1 4.2Å; I131-V221 HydrophobicContact CG2-CG2 4.32Å; I131-V221 PolarHBondContact O-N 3.04Å; T133-V221 HydrophobicContact CG2-CG2 3.67Å; V171-V221 HydrophobicContact CG1-CG2 4.11Å; I186-V221 HydrophobicContact CG2-CG1 3.61Å; F187-V221 VanDerWaalsContact O-CA 3.28Å; F187-V221 WeakPolarHBondContact O-CA 3.36Å; V188-V221 HydrophobicContact CG1-CG2 4.46Å; V188-V221 HydrophobicContact CG2-CG2 4.35Å; V221-L223 HydrophobicContact CG1-CD2 4.02Å
222	N	96.1	Very high	92.4	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.7	179.8	-66.8	90.1	0	0	0	109.5	F187 P224 D308 I311 E312	F187-N222 HydrophobicContact CB-CB 4.13Å; F187-N222 PolarHBondContact N-O 3.38Å; F187-N222 PolarHBondContact O-N 3.48Å; N222-P224 WeakPolarHBondContact O-CD 3.43Å; N222-D308 PolarHBondContact ND2-OD1 2.9Å; N222-I311 HydrophobicContact CB-CB 4.33Å; N222-I311 HydrophobicContact CB-CG2 3.47Å; N222-I311 VanDerWaalsContact CB-CG2 3.47Å; N222-E312 VanDerWaalsContact CB-OE1 3.25Å; N222-E312 WeakPolarHBondContact CB-OE1 3.32Å; N222-E312 PolarHBondContact ND2-OE1 3.44Å
223	L	95.9	Very high	92.2	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.26	C	S	.	.			trans	-126.9	68.7	-171.4	-59.7	-175.8	0	0	0	110.7	I131 Y173 I176 V179 L180 I186 V221 G225 A226 V228 E312	I131-L223 HydrophobicContact CD1-CD1 3.55Å; I131-L223 HydrophobicContact CD1-CG 3.97Å; Y173-L223 HydrophobicContact CD1-CD1 3.96Å; Y173-L223 HydrophobicContact CE1-CD1 4.04Å; I176-L223 HydrophobicContact CD1-CD1 4.25Å; I176-L223 HydrophobicContact CD1-CD2 4.21Å; I176-L223 HydrophobicContact CG1-CD1 3.99Å; V179-L223 HydrophobicContact CG2-CD1 4.38Å; L180-L223 HydrophobicContact CD1-CD2 3.91Å; L180-L223 HydrophobicContact CD2-CB 4.28Å; L180-L223 HydrophobicContact CD2-CD1 4.39Å; L180-L223 HydrophobicContact CD2-CD2 4.3Å; I186-L223 HydrophobicContact CB-CD2 4.28Å; I186-L223 HydrophobicContact CG1-CD2 3.96Å; I186-L223 HydrophobicContact CG2-CD2 3.95Å; V221-L223 HydrophobicContact CG1-CD2 4.02Å; L223-G225 PolarHBondContact O-N 3.19Å; L223-A226 HydrophobicContact CB-CB 3.81Å; L223-A226 VanDerWaalsContact O-CB 3.23Å; L223-A226 WeakPolarHBondContact O-CB 3.33Å; L223-A226 PolarHBondContact O-N 3.42Å; L223-V228 HydrophobicContact CB-CG2 4.25Å; L223-V228 HydrophobicContact CD1-CG2 4.21Å; L223-E312 PolarHBondContact N-OE1 3.42Å
224	P	93.2	Very high	91.9	Very high	39 Å²	39	44.8 Å²	44.8	25%	0.253	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	128.7	-170.9	-27.3	38	0	0	0	112.6	F187 N222 A226 I311	F187-P224 HydrophobicContact CD2-CG 3.55Å; F187-P224 HydrophobicContact CE2-CG 3.75Å; N222-P224 WeakPolarHBondContact O-CD 3.43Å; P224-A226 PolarHBondContact O-N 3.28Å; P224-I311 WeakPolarHBondContact CG-O 3.39Å
225	G	89.6	Confident	91.7	Very high	71 Å²	71	43.1 Å²	43.1	73%	0.732	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	79	-3.6	-179.1	0	0	0	0	0	115.1	L223	L223-G225 PolarHBondContact O-N 3.19Å
226	A	91.9	Very high	91.4	Very high	22 Å²	22	46.4 Å²	46.4	18%	0.182	26%	0.262	C	S	.	.			trans	-81.3	143.7	172.7	0	0	0	0	0	111.1	V179 L180 L223 P224 V228	V179-A226 HydrophobicContact CB-CB 4.47Å; V179-A226 HydrophobicContact CG2-CB 4.2Å; L180-A226 HydrophobicContact CD2-CB 3.62Å; L223-A226 HydrophobicContact CB-CB 3.81Å; L223-A226 VanDerWaalsContact O-CB 3.23Å; L223-A226 WeakPolarHBondContact O-CB 3.33Å; L223-A226 PolarHBondContact O-N 3.42Å; P224-A226 PolarHBondContact O-N 3.28Å; A226-V228 HydrophobicContact CB-CG2 4.49Å; A226-V228 PolarHBondContact O-N 3.4Å; A226-V228 VanDerWaalsContact O-N 3.15Å
227	H	90.1	Very high	91.3	Very high	126 Å²	126	46.4 Å²	46.4	58%	0.583	26%	0.262	S	S	*	.			trans	-83	87.8	170.5	-178.7	-73.2	0	0	0	109.7	V179 D229	V179-H227 WeakPolarHBondContact CG1-O 3.27Å; H227-D229 PolarHBondContact O-N 3.02Å
228	V	91.1	Very high	91.4	Very high	29 Å²	29	48.7 Å²	48.7	18%	0.176	27%	0.269	C	S	.	.			trans	-72.9	120.2	177.8	-178.6	0	0	0	0	110	I131 Y173 L223 A226 L230 R258	I131-V228 HydrophobicContact CD1-CG1 4.39Å; Y173-V228 HydrophobicContact CE1-CG1 4.26Å; L223-V228 HydrophobicContact CB-CG2 4.25Å; L223-V228 HydrophobicContact CD1-CG2 4.21Å; A226-V228 HydrophobicContact CB-CG2 4.49Å; A226-V228 PolarHBondContact O-N 3.4Å; A226-V228 VanDerWaalsContact O-N 3.15Å; V228-L230 HydrophobicContact CG1-CB 4.09Å; V228-L230 HydrophobicContact CG1-CD1 4Å; V228-L230 HydrophobicContact CG1-CG 3.89Å; V228-R258 VanDerWaalsContact O-CZ 3.28Å; V228-R258 PolarHBondContact O-NH1 3.23Å; V228-R258 PolarHBondContact O-NH2 2.88Å
229	D	90.4	Very high	91.7	Very high	81 Å²	81	45.7 Å²	45.7	43%	0.433	26%	0.262	S	S	.	.			trans	-99.6	17.6	-175.4	70.5	-21.2	0	0	0	114.2	Y173 N175 H227	Y173-D229 VanDerWaalsContact CE2-OD1 3.27Å; Y173-D229 WeakPolarHBondContact CE2-OD1 3.35Å; Y173-D229 VanDerWaalsContact CZ-OD1 3.31Å; Y173-D229 PolarHBondContact OH-N 3.23Å; Y173-D229 PolarHBondContact OH-OD1 2.71Å; N175-D229 VanDerWaalsContact ND2-CG 3.27Å; N175-D229 PolarHBondContact ND2-OD1 2.76Å; N175-D229 PolarHBondContact ND2-OD2 3.02Å; H227-D229 PolarHBondContact O-N 3.02Å
230	L	90.5	Very high	91.8	Very high	40 Å²	40	43.2 Å²	43.2	21%	0.209	25%	0.251	C	S	.	.			trans	-58.2	140.5	170.8	-72.4	175.5	0	0	0	110.8	P129 I131 Y173 V228 A232 R258	P129-L230 HydrophobicContact CB-CB 3.63Å; P129-L230 HydrophobicContact CB-CD1 4.04Å; P129-L230 HydrophobicContact CB-CG 4.49Å; P129-L230 WeakPolarHBondContact O-CD1 3.26Å; I131-L230 HydrophobicContact CG1-CD1 3.82Å; Y173-L230 HydrophobicContact CD2-CD1 4.3Å; Y173-L230 HydrophobicContact CD2-CD2 3.68Å; Y173-L230 HydrophobicContact CD2-CG 3.84Å; Y173-L230 HydrophobicContact CE2-CD2 3.97Å; Y173-L230 HydrophobicContact CE2-CG 3.88Å; V228-L230 HydrophobicContact CG1-CB 4.09Å; V228-L230 HydrophobicContact CG1-CD1 4Å; V228-L230 HydrophobicContact CG1-CG 3.89Å; L230-A232 PolarHBondContact O-N 3.35Å; L230-R258 PolarHBondContact O-NH2 3.5Å
231	P	88.8	Confident	92	Very high	81 Å²	81	42.2 Å²	42.2	53%	0.526	24%	0.241	S	C	.	.			trans	-59	138	178.3	26.2	-34.3	0	0	0	109.7	V233	P231-V233 PolarHBondContact O-N 3.16Å; P231-V233 VanDerWaalsContact O-N 3.12Å
232	A	82.9	Confident	92.1	Very high	15 Å²	15	48.2 Å²	48.2	12%	0.124	26%	0.263	C	S	.	.	S	Bend	trans	-60.7	-24.6	-179.6	0	0	0	0	0	113.1	L230 A262	L230-A232 PolarHBondContact O-N 3.35Å; A232-A262 HydrophobicContact CB-CB 3.42Å; A232-A262 VanDerWaalsContact CB-CB 3.42Å
233	V	89.5	Confident	92.2	Very high	10 Å²	10	48.1 Å²	48.1	6%	0.061	26%	0.262	C	S	.	.	S	Bend	trans	-126.6	110.7	174.7	-168.6	0	0	0	0	109	P231 D237 K238 L241 Q265 I266 L269	P231-V233 PolarHBondContact O-N 3.16Å; P231-V233 VanDerWaalsContact O-N 3.12Å; V233-D237 HydrophobicContact CG1-CB 3.56Å; V233-K238 HydrophobicContact CG1-CG 4.07Å; V233-L241 HydrophobicContact CG1-CD1 4.15Å; V233-Q265 HydrophobicContact CG2-CB 4.32Å; V233-I266 HydrophobicContact CG2-CD1 4.34Å; V233-I266 HydrophobicContact CG2-CG1 3.6Å; V233-L269 HydrophobicContact CB-CD1 4.19Å; V233-L269 HydrophobicContact CG1-CD1 3.61Å; V233-L269 HydrophobicContact CG2-CD1 4.3Å
234	S	89.1	Confident	92.3	Very high	28 Å²	28	48.1 Å²	48.1	20%	0.196	26%	0.262	C	S	.	.			trans	-72.9	167.8	175.9	71.5	0	0	0	0	111.8	K236 D237 K238	S234-K236 PolarHBondContact O-N 3.4Å; S234-K236 PolarHBondContact OG-N 3.15Å; S234-D237 VanDerWaalsContact CB-OD2 3.3Å; S234-D237 WeakPolarHBondContact CB-OD2 3.39Å; S234-D237 PolarHBondContact N-OD2 3.06Å; S234-D237 PolarHBondContact O-N 3.14Å; S234-D237 VanDerWaalsContact O-N 3.13Å; S234-D237 PolarHBondContact OG-N 3.31Å; S234-D237 VanDerWaalsContact OG-N 3.09Å; S234-D237 PolarHBondContact OG-OD2 2.83Å; S234-K238 WeakPolarHBondContact O-CG 3.46Å; S234-K238 PolarHBondContact O-N 3.38Å
235	E	91	Very high	92.5	Very high	99 Å²	99	47.7 Å²	47.7	46%	0.463	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-33.2	174.2	-168.7	57	-145.7	0	0	112	K238 Q239	E235-K238 PolarHBondContact O-N 3.13Å; E235-K238 WeakPolarHBondContact OE2-CD 3.47Å; E235-K238 WeakPolarHBondContact OE2-CE 3.29Å; E235-K238 IonicContact OE2-NZ 3.6Å; E235-K238 PolarHBondContact OE2-NZ 3.28Å; E235-Q239 WeakPolarHBondContact O-CG 3.3Å; E235-Q239 PolarHBondContact O-N 2.85Å
236	K	89.2	Confident	92.9	Very high	68 Å²	68	51.2 Å²	51.2	30%	0.296	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-45.4	172.2	-171.3	-171.1	179.8	-69.6	0	110.9	F91 K127 S234 K238 Q239 D240	F91-K236 PolarHBondContact O-NZ 2.95Å; K127-K236 HydrophobicContact CB-CD 4.25Å; K127-K236 HydrophobicContact CD-CD 3.65Å; S234-K236 PolarHBondContact O-N 3.4Å; S234-K236 PolarHBondContact OG-N 3.15Å; K236-K238 VanDerWaalsContact C-N 3.25Å; K236-K238 PolarHBondContact O-N 3.46Å; K236-Q239 WeakPolarHBondContact O-CA 3.22Å; K236-Q239 WeakPolarHBondContact O-CB 3.34Å; K236-Q239 PolarHBondContact O-N 3.39Å; K236-D240 IonicContact NZ-OD1 2.71Å; K236-D240 PolarHBondContact NZ-OD1 3.05Å; K236-D240 IonicContact NZ-OD2 2.98Å; K236-D240 PolarHBondContact NZ-OD2 2.94Å; K236-D240 VanDerWaalsContact O-CG 3.22Å; K236-D240 PolarHBondContact O-N 2.92Å
237	D	92.9	Very high	93.2	Very high	4 Å²	4	52.6 Å²	52.6	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-36.4	178.7	-60.1	-47.4	0	0	0	111.1	K127 G128 V233 S234 Q239 D240 L241	K127-D237 PolarHBondContact N-OD1 3.47Å; G128-D237 WeakPolarHBondContact CA-OD2 3.48Å; G128-D237 PolarHBondContact N-OD1 3.08Å; V233-D237 HydrophobicContact CG1-CB 3.56Å; S234-D237 VanDerWaalsContact CB-OD2 3.3Å; S234-D237 WeakPolarHBondContact CB-OD2 3.39Å; S234-D237 PolarHBondContact N-OD2 3.06Å; S234-D237 PolarHBondContact O-N 3.14Å; S234-D237 VanDerWaalsContact O-N 3.13Å; S234-D237 PolarHBondContact OG-N 3.31Å; S234-D237 VanDerWaalsContact OG-N 3.09Å; S234-D237 PolarHBondContact OG-OD2 2.83Å; D237-Q239 VanDerWaalsContact C-N 3.31Å; D237-Q239 PolarHBondContact O-N 3.21Å; D237-D240 PolarHBondContact O-N 3.24Å; D237-L241 WeakPolarHBondContact O-CB 3.33Å; D237-L241 WeakPolarHBondContact O-CG 3.49Å; D237-L241 PolarHBondContact O-N 2.87Å
238	K	95.4	Very high	93.5	Very high	67 Å²	67	49.4 Å²	49.4	29%	0.291	25%	0.246	S	C	.	.	H	α-helix	trans	-59.4	-40.9	172.7	-63.9	-180	-160.6	159.2	0	112.4	V233 S234 E235 K236 R242 L269	V233-K238 HydrophobicContact CG1-CG 4.07Å; S234-K238 WeakPolarHBondContact O-CG 3.46Å; S234-K238 PolarHBondContact O-N 3.38Å; E235-K238 PolarHBondContact O-N 3.13Å; E235-K238 WeakPolarHBondContact OE2-CD 3.47Å; E235-K238 WeakPolarHBondContact OE2-CE 3.29Å; E235-K238 IonicContact OE2-NZ 3.6Å; E235-K238 PolarHBondContact OE2-NZ 3.28Å; K236-K238 VanDerWaalsContact C-N 3.25Å; K236-K238 PolarHBondContact O-N 3.46Å; K238-R242 WeakPolarHBondContact O-CG 3.35Å; K238-R242 PolarHBondContact O-N 3.3Å; K238-R242 VanDerWaalsContact O-N 3.13Å; K238-L269 HydrophobicContact CD-CD2 4.3Å; K238-L269 HydrophobicContact CG-CD1 3.96Å; K238-L269 HydrophobicContact CG-CD2 4.07Å
239	Q	95.6	Very high	93.8	Very high	91 Å²	91	48.1 Å²	48.1	43%	0.425	24%	0.238	S	C	.	.	H	α-helix	trans	-68.1	-42.1	176.4	-63.5	173.7	11.9	0	0	111.1	E235 K236 D237 L241 R242 F243	E235-Q239 WeakPolarHBondContact O-CG 3.3Å; E235-Q239 PolarHBondContact O-N 2.85Å; K236-Q239 WeakPolarHBondContact O-CA 3.22Å; K236-Q239 WeakPolarHBondContact O-CB 3.34Å; K236-Q239 PolarHBondContact O-N 3.39Å; D237-Q239 VanDerWaalsContact C-N 3.31Å; D237-Q239 PolarHBondContact O-N 3.21Å; Q239-L241 VanDerWaalsContact C-N 3.33Å; Q239-L241 PolarHBondContact O-N 2.85Å; Q239-R242 PolarHBondContact O-N 3.27Å; Q239-F243 PolarHBondContact O-N 3.26Å
240	D	96.1	Very high	94.2	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.4	-38.2	177.2	-61.2	-16.4	0	0	0	111.7	F91 H96 L124 K236 D237 F243 A244	F91-D240 HydrophobicContact CD1-CB 3.81Å; F91-D240 VanDerWaalsContact CD1-CG 3.41Å; F91-D240 WeakPolarHBondContact CD1-OD1 3.42Å; F91-D240 HydrophobicContact CE1-CB 4.28Å; H96-D240 IonicContact CD2-OD1 2.82Å; H96-D240 IonicContact CE1-OD1 3.12Å; H96-D240 IonicContact NE2-OD1 2.82Å; H96-D240 PolarHBondContact NE2-OD1 2.94Å; L124-D240 HydrophobicContact CD1-CB 4.43Å; L124-D240 VanDerWaalsContact CD1-O 3.29Å; L124-D240 WeakPolarHBondContact CD1-O 3.45Å; L124-D240 HydrophobicContact CD2-CB 4.3Å; K236-D240 IonicContact NZ-OD1 2.71Å; K236-D240 PolarHBondContact NZ-OD1 3.05Å; K236-D240 IonicContact NZ-OD2 2.98Å; K236-D240 PolarHBondContact NZ-OD2 2.94Å; K236-D240 VanDerWaalsContact O-CG 3.22Å; K236-D240 PolarHBondContact O-N 2.92Å; D237-D240 PolarHBondContact O-N 3.24Å; D240-F243 WeakPolarHBondContact O-CB 3.37Å; D240-F243 PolarHBondContact O-N 2.71Å; D240-A244 PolarHBondContact O-N 2.79Å
241	L	97.1	Very high	94.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-68.4	-36.4	175.1	-69.2	173.3	0	0	0	112.3	V233 D237 Q239 A244 V245 V252 I266 L269 L270	V233-L241 HydrophobicContact CG1-CD1 4.15Å; D237-L241 WeakPolarHBondContact O-CB 3.33Å; D237-L241 WeakPolarHBondContact O-CG 3.49Å; D237-L241 PolarHBondContact O-N 2.87Å; Q239-L241 VanDerWaalsContact C-N 3.33Å; Q239-L241 PolarHBondContact O-N 2.85Å; L241-A244 VanDerWaalsContact O-CB 3.23Å; L241-A244 WeakPolarHBondContact O-CB 3.38Å; L241-A244 PolarHBondContact O-N 3.2Å; L241-V245 PolarHBondContact O-N 3.04Å; L241-V252 HydrophobicContact CD2-CG1 3.89Å; L241-V252 HydrophobicContact CD2-CG2 3.98Å; L241-I266 HydrophobicContact CD1-CB 4.47Å; L241-I266 HydrophobicContact CD1-CG1 4.34Å; L241-I266 HydrophobicContact CD1-CG2 4.07Å; L241-I266 HydrophobicContact CD2-CG2 3.92Å; L241-L269 HydrophobicContact CD1-CB 3.93Å; L241-L269 HydrophobicContact CD1-CD1 3.94Å; L241-L270 HydrophobicContact CB-CD2 4.24Å; L241-L270 HydrophobicContact CD2-CD2 3.95Å; L241-L270 HydrophobicContact CD2-CG 4.38Å
242	R	97.5	Very high	95.1	Very high	132 Å²	132	38.5 Å²	38.5	50%	0.498	18%	0.182	S	C	.	.	H	α-helix	trans	-64.3	-45.2	171.5	-70.9	175.3	-166.5	141.4	5.1	110.9	K238 Q239 A244 V245 E246	K238-R242 WeakPolarHBondContact O-CG 3.35Å; K238-R242 PolarHBondContact O-N 3.3Å; K238-R242 VanDerWaalsContact O-N 3.13Å; Q239-R242 PolarHBondContact O-N 3.27Å; R242-A244 VanDerWaalsContact C-N 3.25Å; R242-A244 PolarHBondContact O-N 2.72Å; R242-V245 PolarHBondContact O-N 3.46Å; R242-V245 VanDerWaalsContact O-N 3.11Å; R242-E246 WeakPolarHBondContact O-CG 3.42Å; R242-E246 PolarHBondContact O-N 3.46Å
243	F	98.3	Very high	95.8	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-55.1	-42.7	174.3	176.9	-80.5	0	0	0	111.6	F91 H96 H99 A100 I103 L124 Q239 D240 V245 E246 H247	F91-F243 AromaticContact CE1-CD1 3.84Å; F91-F243 HydrophobicContact CE1-CD1 3.84Å; F91-F243 HydrophobicContact CE1-CE1 4.23Å; F91-F243 HydrophobicContact CE1-CG 4.21Å; F91-F243 AromaticContact CZ-CD1 3.55Å; F91-F243 HydrophobicContact CZ-CD1 3.55Å; F91-F243 AromaticContact CZ-CE1 3.55Å; F91-F243 HydrophobicContact CZ-CE1 3.55Å; F91-F243 HydrophobicContact CZ-CG 4.33Å; F91-F243 HydrophobicContact CZ-CZ 4.28Å; H96-F243 HydrophobicContact CB-CD2 3.76Å; H96-F243 HydrophobicContact CB-CE2 3.87Å; H96-F243 AromaticContact CG-CD2 3.72Å; H96-F243 AromaticContact ND1-CD2 3.87Å; H96-F243 VanDerWaalsContact O-CE2 3.32Å; H96-F243 WeakPolarHBondContact O-CE2 3.44Å; H99-F243 HydrophobicContact CB-CE1 4.33Å; H99-F243 HydrophobicContact CB-CZ 4.01Å; A100-F243 HydrophobicContact CB-CE2 4.04Å; A100-F243 HydrophobicContact CB-CZ 4.08Å; I103-F243 HydrophobicContact CD1-CE1 3.71Å; I103-F243 HydrophobicContact CD1-CZ 4Å; L124-F243 HydrophobicContact CD1-CD1 3.99Å; Q239-F243 PolarHBondContact O-N 3.26Å; D240-F243 WeakPolarHBondContact O-CB 3.37Å; D240-F243 PolarHBondContact O-N 2.71Å; F243-V245 VanDerWaalsContact C-N 3.31Å; F243-V245 PolarHBondContact O-N 3.38Å; F243-E246 PolarHBondContact O-N 3.4Å; F243-H247 AromaticContact CD2-CE1 3.72Å; F243-H247 AromaticContact CD2-ND1 3.71Å; F243-H247 HydrophobicContact CE1-CB 4.11Å; F243-H247 AromaticContact CE1-CG 3.91Å; F243-H247 AromaticContact CE2-CD2 3.93Å; F243-H247 AromaticContact CE2-CE1 3.39Å; F243-H247 WeakPolarHBondContact CE2-CE1 3.3Å; F243-H247 AromaticContact CE2-CG 3.92Å; F243-H247 AromaticContact CE2-ND1 3.59Å; F243-H247 AromaticContact CE2-NE2 3.61Å; F243-H247 HydrophobicContact CZ-CB 4.32Å; F243-H247 AromaticContact CZ-CD2 3.66Å; F243-H247 AromaticContact CZ-CE1 3.91Å; F243-H247 AromaticContact CZ-CG 3.66Å; F243-H247 AromaticContact CZ-ND1 3.8Å; F243-H247 AromaticContact CZ-NE2 3.84Å; F243-H247 WeakPolarHBondContact O-CB 3.26Å; F243-H247 PolarHBondContact O-N 3.05Å; F243-H247 PolarHBondContact O-ND1 2.99Å
244	A	98.1	Very high	96.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-52.8	-48.2	176.2	0	0	0	0	0	112	L124 D240 L241 R242 N248 V249 V252 I277	L124-A244 HydrophobicContact CD1-CB 4.05Å; D240-A244 PolarHBondContact O-N 2.79Å; L241-A244 VanDerWaalsContact O-CB 3.23Å; L241-A244 WeakPolarHBondContact O-CB 3.38Å; L241-A244 PolarHBondContact O-N 3.2Å; R242-A244 VanDerWaalsContact C-N 3.25Å; R242-A244 PolarHBondContact O-N 2.72Å; A244-N248 PolarHBondContact O-N 2.71Å; A244-V249 HydrophobicContact CB-CG2 3.49Å; A244-V249 VanDerWaalsContact CB-CG2 3.49Å; A244-V249 WeakPolarHBondContact O-CG2 3.49Å; A244-V249 PolarHBondContact O-N 3.3Å; A244-V249 VanDerWaalsContact O-N 3.08Å; A244-V252 HydrophobicContact CB-CG2 4.22Å; A244-I277 HydrophobicContact CB-CD1 4.33Å
245	V	98	Very high	96.6	Very high	31 Å²	31	36.1 Å²	36.1	19%	0.188	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-48.7	179.8	178.4	0	0	0	0	110.9	L241 R242 F243 H247 N248 L270 N273 I277	L241-V245 PolarHBondContact O-N 3.04Å; R242-V245 PolarHBondContact O-N 3.46Å; R242-V245 VanDerWaalsContact O-N 3.11Å; F243-V245 VanDerWaalsContact C-N 3.31Å; F243-V245 PolarHBondContact O-N 3.38Å; V245-H247 VanDerWaalsContact C-N 3.26Å; V245-H247 PolarHBondContact O-N 2.72Å; V245-N248 PolarHBondContact O-N 2.74Å; V245-L270 HydrophobicContact CG2-CD2 3.9Å; V245-N273 HydrophobicContact CG1-CB 3.65Å; V245-I277 HydrophobicContact CG2-CD1 4.07Å
246	E	97.8	Very high	96.8	Very high	145 Å²	145	32.3 Å²	32.3	68%	0.678	15%	0.147	S	C	*	.	H	α-helix	trans	-59.5	-36.6	-179.4	-72	172.6	-173.8	0	0	112.6	R242 F243	R242-E246 WeakPolarHBondContact O-CG 3.42Å; R242-E246 PolarHBondContact O-N 3.46Å; F243-E246 PolarHBondContact O-N 3.4Å
247	H	97.9	Very high	97.1	Very high	50 Å²	50	29.1 Å²	29.1	23%	0.231	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	5.1	-177.2	-70.2	63.9	0	0	0	113.6	A100 I103 R107 F243 V245 V249	A100-H247 VanDerWaalsContact CB-NE2 3.31Å; A100-H247 WeakPolarHBondContact CB-NE2 3.21Å; I103-H247 HydrophobicContact CD1-CB 3.75Å; R107-H247 PolarHBondContact NH1-O 2.95Å; R107-H247 PolarHBondContact NH2-O 3.01Å; F243-H247 AromaticContact CD2-CE1 3.72Å; F243-H247 AromaticContact CD2-ND1 3.71Å; F243-H247 HydrophobicContact CE1-CB 4.11Å; F243-H247 AromaticContact CE1-CG 3.91Å; F243-H247 AromaticContact CE2-CD2 3.93Å; F243-H247 AromaticContact CE2-CE1 3.39Å; F243-H247 WeakPolarHBondContact CE2-CE1 3.3Å; F243-H247 AromaticContact CE2-CG 3.92Å; F243-H247 AromaticContact CE2-ND1 3.59Å; F243-H247 AromaticContact CE2-NE2 3.61Å; F243-H247 HydrophobicContact CZ-CB 4.32Å; F243-H247 AromaticContact CZ-CD2 3.66Å; F243-H247 AromaticContact CZ-CE1 3.91Å; F243-H247 AromaticContact CZ-CG 3.66Å; F243-H247 AromaticContact CZ-ND1 3.8Å; F243-H247 AromaticContact CZ-NE2 3.84Å; F243-H247 WeakPolarHBondContact O-CB 3.26Å; F243-H247 PolarHBondContact O-N 3.05Å; F243-H247 PolarHBondContact O-ND1 2.99Å; V245-H247 VanDerWaalsContact C-N 3.26Å; V245-H247 PolarHBondContact O-N 2.72Å; H247-V249 HydrophobicContact CB-CG1 4.49Å; H247-V249 PolarHBondContact O-N 2.95Å
248	N	96.8	Very high	97.2	Very high	60 Å²	60	30.3 Å²	30.3	32%	0.321	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	51.4	178.5	-171.5	15.7	0	0	0	112.4	R107 A244 V245 Y276	R107-N248 PolarHBondContact NH2-O 2.81Å; A244-N248 PolarHBondContact O-N 2.71Å; V245-N248 PolarHBondContact O-N 2.74Å; N248-Y276 WeakPolarHBondContact CA-OH 3.08Å; N248-Y276 WeakPolarHBondContact OD1-CE2 3.47Å; N248-Y276 VanDerWaalsContact OD1-CZ 3.31Å; N248-Y276 PolarHBondContact OD1-OH 2.85Å
249	V	97.9	Very high	97.2	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	13%	0.13	C	C	.	.			trans	-75.2	153.9	172.7	-51.9	0	0	0	0	110.1	I103 I122 L124 A244 H247 I277	I103-V249 HydrophobicContact CD1-CG1 3.96Å; I122-V249 HydrophobicContact CG2-CB 4.34Å; I122-V249 HydrophobicContact CG2-CG1 4.09Å; L124-V249 HydrophobicContact CB-CG2 4.41Å; A244-V249 HydrophobicContact CB-CG2 3.49Å; A244-V249 VanDerWaalsContact CB-CG2 3.49Å; A244-V249 WeakPolarHBondContact O-CG2 3.49Å; A244-V249 PolarHBondContact O-N 3.3Å; A244-V249 VanDerWaalsContact O-N 3.08Å; H247-V249 HydrophobicContact CB-CG1 4.49Å; H247-V249 PolarHBondContact O-N 2.95Å; V249-I277 HydrophobicContact CG2-CD1 4.25Å; V249-I277 WeakPolarHBondContact O-CG1 3.43Å
250	D	98.7	Very high	97.3	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-88.5	-28.3	-170.1	-59.2	-60.9	0	0	0	112.6	G121 I122 K278 R473 Q474	G121-D250 WeakPolarHBondContact CA-OD2 3.4Å; I122-D250 PolarHBondContact N-OD2 3.02Å; I122-D250 PolarHBondContact O-N 3.26Å; D250-K278 PolarHBondContact O-N 3.39Å; D250-K278 VanDerWaalsContact O-N 3.14Å; D250-R473 HydrophobicContact CB-CB 4.49Å; D250-R473 VanDerWaalsContact CG-NE 3.29Å; D250-R473 IonicContact OD1-CZ 2.88Å; D250-R473 VanDerWaalsContact OD1-CZ 3.26Å; D250-R473 IonicContact OD1-NE 3.75Å; D250-R473 PolarHBondContact OD1-NE 3.43Å; D250-R473 IonicContact OD1-NH2 2.69Å; D250-R473 PolarHBondContact OD1-NH2 3.46Å; D250-R473 WeakPolarHBondContact OD2-CB 3.35Å; D250-R473 WeakPolarHBondContact OD2-CD 3.43Å; D250-R473 IonicContact OD2-NE 2.66Å; D250-R473 PolarHBondContact OD2-NE 2.96Å; D250-R473 VanDerWaalsContact OD2-NE 3.14Å; D250-Q474 HydrophobicContact CB-CG 3.87Å; D250-Q474 PolarHBondContact O-NE2 3.27Å
251	M	98.7	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	154.6	-175.3	61.8	-161.6	72.7	0	0	112.4	I86 I122 A123 L124 F253 K278 L477	I86-M251 HydrophobicContact CD1-CE 4.03Å; I86-M251 HydrophobicContact CD1-SD 4Å; I86-M251 HydrophobicContact CG1-CE 4.41Å; I86-M251 HydrophobicContact CG2-CE 4.45Å; I86-M251 HydrophobicContact CG2-SD 3.99Å; I122-M251 PolarHBondContact O-N 2.91Å; A123-M251 WeakPolarHBondContact CA-O 3.3Å; A123-M251 HydrophobicContact CB-CG 3.46Å; A123-M251 VanDerWaalsContact CB-CG 3.46Å; A123-M251 HydrophobicContact CB-SD 4.02Å; L124-M251 PolarHBondContact N-O 3.49Å; M251-F253 HydrophobicContact CG-CD1 4.37Å; M251-F253 HydrophobicContact CG-CE1 3.76Å; M251-F253 HydrophobicContact CG-CZ 4.38Å; M251-F253 HydrophobicContact SD-CE1 3.64Å; M251-F253 HydrophobicContact SD-CZ 4.01Å; M251-K278 CarbonylContact C-O 3.5Å; M251-K278 WeakPolarHBondContact CA-O 3.46Å; M251-K278 HydrophobicContact CB-CB 3.92Å; M251-K278 WeakPolarHBondContact CB-O 3.31Å; M251-L477 HydrophobicContact CE-CD1 3.8Å; M251-L477 HydrophobicContact CE-CD2 4.41Å; M251-L477 HydrophobicContact CE-CG 3.89Å; M251-L477 HydrophobicContact SD-CD1 3.9Å; M251-L477 HydrophobicContact SD-CD2 3.8Å; M251-L477 HydrophobicContact SD-CG 3.93Å
252	V	98.7	Very high	97.2	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.1	173	171.2	0	0	0	0	108.4	L124 T126 L241 A244 I277 K278 I280	L124-V252 HydrophobicContact CD2-CG1 4.49Å; L124-V252 CarbonylContact O-C 3.38Å; L124-V252 VanDerWaalsContact O-CA 3.29Å; L124-V252 WeakPolarHBondContact O-CA 3.45Å; T126-V252 HydrophobicContact CG2-CG1 3.72Å; L241-V252 HydrophobicContact CD2-CG1 3.89Å; L241-V252 HydrophobicContact CD2-CG2 3.98Å; A244-V252 HydrophobicContact CB-CG2 4.22Å; V252-I277 HydrophobicContact CB-CG2 4.46Å; V252-I277 HydrophobicContact CG2-CG2 3.81Å; V252-K278 PolarHBondContact N-O 2.96Å; V252-I280 PolarHBondContact O-N 3.42Å
253	F	98.6	Very high	97.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	105.3	167.6	-53.7	-20.7	0	0	0	107.2	I63 R88 A123 L124 D125 T126 M251 I280 K282 M303 I337 M372	I63-F253 HydrophobicContact CD1-CZ 4.1Å; I63-F253 HydrophobicContact CG2-CE2 4.15Å; I63-F253 HydrophobicContact CG2-CZ 4.39Å; R88-F253 HydrophobicContact CB-CE2 4.26Å; R88-F253 HydrophobicContact CG-CD2 4.26Å; R88-F253 HydrophobicContact CG-CE2 4.2Å; A123-F253 HydrophobicContact CB-CD1 4.15Å; A123-F253 HydrophobicContact CB-CD2 3.95Å; A123-F253 HydrophobicContact CB-CE1 3.66Å; A123-F253 HydrophobicContact CB-CE2 3.42Å; A123-F253 VanDerWaalsContact CB-CE2 3.42Å; A123-F253 HydrophobicContact CB-CG 4.31Å; A123-F253 HydrophobicContact CB-CZ 3.27Å; L124-F253 PolarHBondContact O-N 2.85Å; D125-F253 WeakPolarHBondContact CA-O 3.45Å; D125-F253 HydrophobicContact CB-CB 4.09Å; D125-F253 HydrophobicContact CB-CD2 4.23Å; T126-F253 PolarHBondContact N-O 2.83Å; T126-F253 PolarHBondContact OG1-O 2.92Å; M251-F253 HydrophobicContact CG-CD1 4.37Å; M251-F253 HydrophobicContact CG-CE1 3.76Å; M251-F253 HydrophobicContact CG-CZ 4.38Å; M251-F253 HydrophobicContact SD-CE1 3.64Å; M251-F253 HydrophobicContact SD-CZ 4.01Å; F253-I280 WeakPolarHBondContact CA-O 3.45Å; F253-I280 HydrophobicContact CD1-CB 3.71Å; F253-I280 HydrophobicContact CD1-CG1 3.77Å; F253-I280 HydrophobicContact CD1-CG2 4.32Å; F253-I280 HydrophobicContact CE1-CB 4.18Å; F253-I280 HydrophobicContact CE1-CG1 3.81Å; F253-K282 HydrophobicContact CB-CD 3.87Å; F253-K282 HydrophobicContact CB-CG 4.15Å; F253-M303 HydrophobicContact CB-CE 4.22Å; F253-M303 HydrophobicContact CD1-CE 4.22Å; F253-M303 HydrophobicContact CD2-CE 3.31Å; F253-M303 HydrophobicContact CE1-CE 4.37Å; F253-M303 HydrophobicContact CE2-CE 3.49Å; F253-M303 VanDerWaalsContact CE2-CE 3.49Å; F253-M303 HydrophobicContact CG-CE 3.69Å; F253-M303 HydrophobicContact CZ-CE 4.02Å; F253-I337 HydrophobicContact CE1-CD1 3.96Å; F253-I337 HydrophobicContact CZ-CD1 3.95Å; F253-M372 HydrophobicContact CE2-SD 4.33Å
254	A	97.7	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115	-173.6	0	0	0	0	0	110.4	I257 I266 I279 I280 K282	A254-I257 HydrophobicContact CB-CD1 3.83Å; A254-I257 HydrophobicContact CB-CG1 3.77Å; A254-I257 WeakPolarHBondContact O-CG1 3.33Å; A254-I266 HydrophobicContact CB-CD1 3.45Å; A254-I266 VanDerWaalsContact CB-CD1 3.45Å; A254-I279 HydrophobicContact CB-CG2 4.42Å; A254-I280 PolarHBondContact N-O 3.08Å; A254-K282 VanDerWaalsContact O-CB 3.27Å; A254-K282 WeakPolarHBondContact O-CB 3.41Å; A254-K282 WeakPolarHBondContact O-CG 3.49Å; A254-K282 PolarHBondContact O-N 2.86Å
255	S	96.3	Very high	97.1	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.021	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	146.4	-176.9	-59.5	0	0	0	0	112.9	D125 T126 I257 K282 E284	D125-S255 PolarHBondContact OD1-OG 2.8Å; T126-S255 WeakPolarHBondContact O-CB 3.49Å; T126-S255 PolarHBondContact O-OG 2.76Å; T126-S255 PolarHBondContact OG1-N 3.4Å; S255-I257 VanDerWaalsContact C-N 3.33Å; S255-I257 PolarHBondContact O-N 2.64Å; S255-K282 PolarHBondContact OG-NZ 3.24Å; S255-E284 WeakPolarHBondContact CA-OE2 3.43Å; S255-E284 WeakPolarHBondContact CB-OE2 3.38Å
256	F	95	Very high	97	Very high	20 Å²	20	30.5 Å²	30.5	9%	0.088	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	46.2	177.6	-60.4	-88.9	0	0	0	114.6	P129 E130 R258 E284 D308	P129-F256 HydrophobicContact CG-CB 3.72Å; P129-F256 HydrophobicContact CG-CD2 4.38Å; P129-F256 HydrophobicContact CG-CG 4.25Å; E130-F256 HydrophobicContact CG-CE2 3.94Å; F256-R258 WeakPolarHBondContact O-CG 3.42Å; F256-R258 PolarHBondContact O-N 2.96Å; F256-E284 HydrophobicContact CD1-CB 4.05Å; F256-E284 WeakPolarHBondContact CD2-OE2 3.43Å; F256-E284 HydrophobicContact CE1-CB 4.19Å; F256-E284 PolarHBondContact N-OE2 2.83Å; F256-D308 HydrophobicContact CE1-CB 4.17Å; F256-D308 HydrophobicContact CZ-CB 4.13Å; F256-D308 WeakPolarHBondContact CZ-OD1 3.39Å
257	I	96.7	Very high	97.1	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	13%	0.13	C	C	.	.			trans	-70.9	121.3	174.5	-66.3	-65.9	0	0	0	109.7	A254 S255 A262 V263 I266 A281 K282 I295	A254-I257 HydrophobicContact CB-CD1 3.83Å; A254-I257 HydrophobicContact CB-CG1 3.77Å; A254-I257 WeakPolarHBondContact O-CG1 3.33Å; S255-I257 VanDerWaalsContact C-N 3.33Å; S255-I257 PolarHBondContact O-N 2.64Å; I257-A262 HydrophobicContact CD1-CB 3.86Å; I257-V263 HydrophobicContact CD1-CG2 4.4Å; I257-V263 HydrophobicContact CG2-CG2 3.79Å; I257-I266 HydrophobicContact CD1-CD1 3.81Å; I257-A281 HydrophobicContact CB-CB 3.78Å; I257-A281 HydrophobicContact CG1-CB 3.79Å; I257-A281 HydrophobicContact CG2-CB 3.81Å; I257-K282 PolarHBondContact N-O 3.26Å; I257-I295 HydrophobicContact CG2-CD1 4.05Å; I257-I295 HydrophobicContact CG2-CG1 4.04Å; I257-I295 HydrophobicContact CG2-CG2 3.72Å
258	R	94.8	Very high	97	Very high	28 Å²	28	32.1 Å²	32.1	11%	0.106	16%	0.155	C	C	.	.			trans	-106.8	-24	-175.3	-68.1	179.5	-57.6	143	-18.3	113.6	V228 L230 F256 N285 E287 R291	V228-R258 VanDerWaalsContact O-CZ 3.28Å; V228-R258 PolarHBondContact O-NH1 3.23Å; V228-R258 PolarHBondContact O-NH2 2.88Å; L230-R258 PolarHBondContact O-NH2 3.5Å; F256-R258 WeakPolarHBondContact O-CG 3.42Å; F256-R258 PolarHBondContact O-N 2.96Å; R258-N285 WeakPolarHBondContact CG-ND2 3.46Å; R258-E287 HydrophobicContact CB-CB 4.39Å; R258-E287 HydrophobicContact CB-CG 4.17Å; R258-E287 VanDerWaalsContact CD-OE2 3.29Å; R258-E287 WeakPolarHBondContact CD-OE2 3.24Å; R258-E287 HydrophobicContact CG-CB 4.33Å; R258-E287 IonicContact CZ-OE2 2.72Å; R258-E287 IonicContact NE-OE2 3.19Å; R258-E287 IonicContact NH1-OE2 2.9Å; R258-E287 PolarHBondContact NH1-OE2 2.93Å; R258-E287 VanDerWaalsContact NH1-OE2 3.14Å; R258-R291 WeakPolarHBondContact O-CB 3.34Å; R258-R291 WeakPolarHBondContact O-CD 3.19Å
259	N	95	Very high	97	Very high	25 Å²	25	32.4 Å²	32.4	13%	0.134	16%	0.156	C	C	.	.	S	Bend	trans	-160.3	169.6	-172.7	56.2	53.3	0	0	0	112.7	D261 A262 R291 E294	N259-D261 VanDerWaalsContact C-N 3.34Å; N259-D261 PolarHBondContact O-N 3.25Å; N259-D261 PolarHBondContact OD1-N 3.17Å; N259-A262 PolarHBondContact OD1-N 3.13Å; N259-R291 VanDerWaalsContact CB-NH1 3.32Å; N259-E294 WeakPolarHBondContact CA-OE1 3.43Å; N259-E294 VanDerWaalsContact CB-OE1 3.24Å; N259-E294 WeakPolarHBondContact CB-OE1 3.35Å
260	A	97.3	Very high	97	Very high	13 Å²	13	32.6 Å²	32.6	11%	0.107	16%	0.157	C	C	.	.	H	α-helix	trans	-63.3	-35.9	178.3	0	0	0	0	0	113.3	A262 V263 H264 E294 V298	A260-A262 VanDerWaalsContact C-N 3.31Å; A260-A262 PolarHBondContact O-N 2.79Å; A260-V263 WeakPolarHBondContact O-CB 3.33Å; A260-V263 PolarHBondContact O-N 3.44Å; A260-H264 PolarHBondContact O-CD2 3.27Å; A260-H264 VanDerWaalsContact O-CD2 3.26Å; A260-H264 PolarHBondContact O-N 3.45Å; A260-E294 HydrophobicContact CB-CB 4.32Å; A260-E294 PolarHBondContact N-OE1 2.75Å; A260-V298 HydrophobicContact CB-CG1 4.28Å; A260-V298 HydrophobicContact CB-CG2 3.81Å
261	D	96.3	Very high	97	Very high	100 Å²	100	34.1 Å²	34.1	54%	0.535	17%	0.172	S	C	.	.	H	α-helix	trans	-61.8	-38.1	-178.5	-67.7	-28	0	0	0	112.3	N259 V263 H264 Q265	N259-D261 VanDerWaalsContact C-N 3.34Å; N259-D261 PolarHBondContact O-N 3.25Å; N259-D261 PolarHBondContact OD1-N 3.17Å; D261-V263 VanDerWaalsContact C-N 3.28Å; D261-V263 PolarHBondContact O-N 2.91Å; D261-H264 PolarHBondContact O-N 3.14Å; D261-Q265 WeakPolarHBondContact O-CG 3.4Å; D261-Q265 PolarHBondContact O-N 3.34Å
262	A	95.5	Very high	96.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-57.2	-42.2	173.2	0	0	0	0	0	112	A232 I257 N259 A260 Q265 I266	A232-A262 HydrophobicContact CB-CB 3.42Å; A232-A262 VanDerWaalsContact CB-CB 3.42Å; I257-A262 HydrophobicContact CD1-CB 3.86Å; N259-A262 PolarHBondContact OD1-N 3.13Å; A260-A262 VanDerWaalsContact C-N 3.31Å; A260-A262 PolarHBondContact O-N 2.79Å; A262-Q265 PolarHBondContact O-N 3.22Å; A262-I266 WeakPolarHBondContact O-CG1 2.89Å; A262-I266 PolarHBondContact O-N 2.66Å
263	V	97.1	Very high	96.8	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.024	25%	0.245	C	C	.	.	H	α-helix	trans	-67.3	-41.9	178.6	-176.7	0	0	0	0	110.5	I257 A260 D261 I266 R267 I279 I295 V298 V299	I257-V263 HydrophobicContact CD1-CG2 4.4Å; I257-V263 HydrophobicContact CG2-CG2 3.79Å; A260-V263 WeakPolarHBondContact O-CB 3.33Å; A260-V263 PolarHBondContact O-N 3.44Å; D261-V263 VanDerWaalsContact C-N 3.28Å; D261-V263 PolarHBondContact O-N 2.91Å; V263-I266 PolarHBondContact O-N 3.38Å; V263-R267 PolarHBondContact O-N 3.27Å; V263-I279 HydrophobicContact CG1-CD1 4.47Å; V263-I279 HydrophobicContact CG1-CG2 4.22Å; V263-I295 HydrophobicContact CG2-CG2 4.41Å; V263-V298 HydrophobicContact CB-CG2 3.77Å; V263-V298 HydrophobicContact CG1-CG2 3.9Å; V263-V298 HydrophobicContact CG2-CG2 4.07Å; V263-V299 HydrophobicContact CB-CG1 4.18Å; V263-V299 HydrophobicContact CG1-CG1 3.64Å; V263-V299 HydrophobicContact CG2-CG1 3.47Å; V263-V299 VanDerWaalsContact CG2-CG1 3.47Å
264	H	97.5	Very high	96.8	Very high	97 Å²	97	47.8 Å²	47.8	45%	0.449	25%	0.245	S	C	.	.	H	α-helix	trans	-62	-41.2	175	-68.6	-50.4	0	0	0	112.4	A260 D261 R267 Q268	A260-H264 PolarHBondContact O-CD2 3.27Å; A260-H264 VanDerWaalsContact O-CD2 3.26Å; A260-H264 PolarHBondContact O-N 3.45Å; D261-H264 PolarHBondContact O-N 3.14Å; H264-R267 PolarHBondContact O-N 3.12Å; H264-Q268 WeakPolarHBondContact O-CB 3.16Å; H264-Q268 PolarHBondContact O-N 3.42Å
265	Q	96.4	Very high	96.7	Very high	87 Å²	87	50.7 Å²	50.7	41%	0.407	27%	0.269	S	S	.	.	H	α-helix	trans	-61.4	-45.2	175.1	-72.2	175.2	35.3	0	0	111.7	V233 D261 A262 R267 Q268 L269	V233-Q265 HydrophobicContact CG2-CB 4.32Å; D261-Q265 WeakPolarHBondContact O-CG 3.4Å; D261-Q265 PolarHBondContact O-N 3.34Å; A262-Q265 PolarHBondContact O-N 3.22Å; Q265-R267 PolarHBondContact O-N 3.19Å; Q265-Q268 PolarHBondContact O-N 2.92Å; Q265-L269 WeakPolarHBondContact O-CB 3.47Å; Q265-L269 VanDerWaalsContact O-CG 3.27Å; Q265-L269 WeakPolarHBondContact O-CG 3.46Å; Q265-L269 PolarHBondContact O-N 2.83Å
266	I	97.5	Very high	96.8	Very high	6 Å²	6	54 Å²	54	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-61.1	-45.7	175.6	-66.8	172.7	0	0	0	110.6	V233 L241 A254 I257 A262 V263 Q268 L269 L270 I279	V233-I266 HydrophobicContact CG2-CD1 4.34Å; V233-I266 HydrophobicContact CG2-CG1 3.6Å; L241-I266 HydrophobicContact CD1-CB 4.47Å; L241-I266 HydrophobicContact CD1-CG1 4.34Å; L241-I266 HydrophobicContact CD1-CG2 4.07Å; L241-I266 HydrophobicContact CD2-CG2 3.92Å; A254-I266 HydrophobicContact CB-CD1 3.45Å; A254-I266 VanDerWaalsContact CB-CD1 3.45Å; I257-I266 HydrophobicContact CD1-CD1 3.81Å; A262-I266 WeakPolarHBondContact O-CG1 2.89Å; A262-I266 PolarHBondContact O-N 2.66Å; V263-I266 PolarHBondContact O-N 3.38Å; I266-Q268 VanDerWaalsContact C-N 3.31Å; I266-Q268 PolarHBondContact O-N 3.27Å; I266-L269 PolarHBondContact O-N 2.86Å; I266-L270 HydrophobicContact CG2-CD1 4.21Å; I266-L270 HydrophobicContact CG2-CG 4.5Å; I266-L270 WeakPolarHBondContact O-CG 3.42Å; I266-L270 PolarHBondContact O-N 3.27Å; I266-I279 HydrophobicContact CB-CD1 4.32Å; I266-I279 HydrophobicContact CG2-CD1 3.81Å; I266-I279 HydrophobicContact CG2-CG1 4.14Å; I266-I279 HydrophobicContact CG2-CG2 4.47Å
267	R	97.9	Very high	96.9	Very high	70 Å²	70	53 Å²	53	26%	0.264	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-42.1	177.3	179.1	56.6	64.9	-159.9	4.2	111.9	V263 H264 Q265 L270 G271 G274 A275 I277 I279 D300	V263-R267 PolarHBondContact O-N 3.27Å; H264-R267 PolarHBondContact O-N 3.12Å; Q265-R267 PolarHBondContact O-N 3.19Å; R267-L270 PolarHBondContact O-N 3.39Å; R267-G271 PolarHBondContact O-N 3Å; R267-G274 PolarHBondContact NH1-O 3.47Å; R267-A275 PolarHBondContact NH1-O 3.49Å; R267-I277 PolarHBondContact NH1-O 2.94Å; R267-I277 PolarHBondContact NH2-O 3.15Å; R267-I279 HydrophobicContact CB-CD1 3.9Å; R267-D300 IonicContact NH2-OD2 3.67Å; R267-D300 PolarHBondContact NH2-OD2 3.48Å
268	Q	97.3	Very high	97	Very high	160 Å²	160	55.1 Å²	55.1	75%	0.748	29%	0.286	S	S	*	.	H	α-helix	trans	-64.3	-41.3	176.6	-173.3	-178.8	13.7	0	0	111.8	H264 Q265 I266 G271	H264-Q268 WeakPolarHBondContact O-CB 3.16Å; H264-Q268 PolarHBondContact O-N 3.42Å; Q265-Q268 PolarHBondContact O-N 2.92Å; I266-Q268 VanDerWaalsContact C-N 3.31Å; I266-Q268 PolarHBondContact O-N 3.27Å; Q268-G271 PolarHBondContact O-N 3.44Å; Q268-G271 VanDerWaalsContact O-N 3.16Å
269	L	96.9	Very high	97.2	Very high	66 Å²	66	53.9 Å²	53.9	35%	0.346	28%	0.282	S	S	.	.	H	α-helix	trans	-68.5	-32.4	179.5	-73.7	166.5	0	0	0	113.3	V233 K238 L241 Q265 I266 G271	V233-L269 HydrophobicContact CB-CD1 4.19Å; V233-L269 HydrophobicContact CG1-CD1 3.61Å; V233-L269 HydrophobicContact CG2-CD1 4.3Å; K238-L269 HydrophobicContact CD-CD2 4.3Å; K238-L269 HydrophobicContact CG-CD1 3.96Å; K238-L269 HydrophobicContact CG-CD2 4.07Å; L241-L269 HydrophobicContact CD1-CB 3.93Å; L241-L269 HydrophobicContact CD1-CD1 3.94Å; Q265-L269 WeakPolarHBondContact O-CB 3.47Å; Q265-L269 VanDerWaalsContact O-CG 3.27Å; Q265-L269 WeakPolarHBondContact O-CG 3.46Å; Q265-L269 PolarHBondContact O-N 2.83Å; I266-L269 PolarHBondContact O-N 2.86Å; L269-G271 VanDerWaalsContact C-N 3.27Å
270	L	97.9	Very high	97.4	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	28%	0.276	C	S	.	.	H	α-helix	trans	-66.9	-29.9	171.5	-70.8	173.5	0	0	0	112.1	L241 V245 I266 R267 G274 I277 I279	L241-L270 HydrophobicContact CB-CD2 4.24Å; L241-L270 HydrophobicContact CD2-CD2 3.95Å; L241-L270 HydrophobicContact CD2-CG 4.38Å; V245-L270 HydrophobicContact CG2-CD2 3.9Å; I266-L270 HydrophobicContact CG2-CD1 4.21Å; I266-L270 HydrophobicContact CG2-CG 4.5Å; I266-L270 WeakPolarHBondContact O-CG 3.42Å; I266-L270 PolarHBondContact O-N 3.27Å; R267-L270 PolarHBondContact O-N 3.39Å; L270-G274 WeakPolarHBondContact O-CA 3.27Å; L270-G274 PolarHBondContact O-N 3.16Å; L270-G274 VanDerWaalsContact O-N 3.09Å; L270-I277 HydrophobicContact CD1-CB 4.26Å; L270-I277 HydrophobicContact CD1-CG2 4.27Å; L270-I277 HydrophobicContact CD2-CD1 4.13Å; L270-I279 HydrophobicContact CD1-CD1 4.08Å; L270-I279 HydrophobicContact CD1-CG1 4.03Å
271	G	97.3	Very high	97.5	Very high	31 Å²	31	52.1 Å²	52.1	32%	0.32	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	-169.5	178.2	0	0	0	0	0	114.2	R267 Q268 L269 N273 G274 A275	R267-G271 PolarHBondContact O-N 3Å; Q268-G271 PolarHBondContact O-N 3.44Å; Q268-G271 VanDerWaalsContact O-N 3.16Å; L269-G271 VanDerWaalsContact C-N 3.27Å; G271-N273 VanDerWaalsContact C-N 3.31Å; G271-N273 PolarHBondContact O-N 2.9Å; G271-G274 CarbonylContact O-C 3.5Å; G271-G274 PolarHBondContact O-N 3.31Å; G271-G274 VanDerWaalsContact O-N 3.13Å; G271-A275 PolarHBondContact O-N 3.4Å; G271-A275 VanDerWaalsContact O-N 3.09Å
272	D	97.4	Very high	97.6	Very high	157 Å²	157	48 Å²	48	84%	0.84	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-63	-38	-177.2	-65.4	-21.7	0	0	0	112.3	G274 A275	D272-G274 PolarHBondContact O-N 2.94Å; D272-A275 VanDerWaalsContact O-CB 3.28Å; D272-A275 WeakPolarHBondContact O-CB 3.45Å; D272-A275 PolarHBondContact O-N 3.39Å
273	N	96.9	Very high	97.7	Very high	130 Å²	130	48 Å²	48	70%	0.695	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-66.2	-26	177.6	-69.9	-21.3	0	0	0	112.7	V245 G271 Y276	V245-N273 HydrophobicContact CG1-CB 3.65Å; G271-N273 VanDerWaalsContact C-N 3.31Å; G271-N273 PolarHBondContact O-N 2.9Å; N273-Y276 WeakPolarHBondContact O-CE1 3.35Å
274	G	97.6	Very high	97.7	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-101.7	8	176.4	0	0	0	0	0	113.9	R267 L270 G271 D272 Y276 I277	R267-G274 PolarHBondContact NH1-O 3.47Å; L270-G274 WeakPolarHBondContact O-CA 3.27Å; L270-G274 PolarHBondContact O-N 3.16Å; L270-G274 VanDerWaalsContact O-N 3.09Å; G271-G274 CarbonylContact O-C 3.5Å; G271-G274 PolarHBondContact O-N 3.31Å; G271-G274 VanDerWaalsContact O-N 3.13Å; D272-G274 PolarHBondContact O-N 2.94Å; G274-Y276 PolarHBondContact O-N 3.32Å; G274-Y276 VanDerWaalsContact O-N 3.1Å; G274-I277 WeakPolarHBondContact O-CB 3.39Å; G274-I277 PolarHBondContact O-N 3.3Å
275	A	97.2	Very high	97.6	Very high	61 Å²	61	44.1 Å²	44.1	50%	0.504	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-26.5	-174	0	0	0	0	0	113.6	R267 G271 D272	R267-A275 PolarHBondContact NH1-O 3.49Å; G271-A275 PolarHBondContact O-N 3.4Å; G271-A275 VanDerWaalsContact O-N 3.09Å; D272-A275 VanDerWaalsContact O-CB 3.28Å; D272-A275 WeakPolarHBondContact O-CB 3.45Å; D272-A275 PolarHBondContact O-N 3.39Å
276	Y	96.8	Very high	97.5	Very high	73 Å²	73	44.1 Å²	44.1	29%	0.286	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-21.5	176.4	66.5	-93.9	0	0	0	113.4	N248 N273 G274 K278 V470 Q474	N248-Y276 WeakPolarHBondContact CA-OH 3.08Å; N248-Y276 WeakPolarHBondContact OD1-CE2 3.47Å; N248-Y276 VanDerWaalsContact OD1-CZ 3.31Å; N248-Y276 PolarHBondContact OD1-OH 2.85Å; N273-Y276 WeakPolarHBondContact O-CE1 3.35Å; G274-Y276 PolarHBondContact O-N 3.32Å; G274-Y276 VanDerWaalsContact O-N 3.1Å; Y276-K278 PolarHBondContact O-N 3.41Å; Y276-V470 HydrophobicContact CD2-CG1 3.54Å; Y276-V470 HydrophobicContact CD2-CG2 4.45Å; Y276-V470 HydrophobicContact CE2-CG1 4.17Å; Y276-V470 HydrophobicContact CE2-CG2 4.5Å; Y276-V470 HydrophobicContact CG-CG1 4.3Å; Y276-Q474 PolarHBondContact O-NE2 2.74Å
277	I	98.5	Very high	97.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-67.6	128.6	-174.6	-61.6	-179.2	0	0	0	109.3	A244 V245 V249 V252 R267 L270 G274	A244-I277 HydrophobicContact CB-CD1 4.33Å; V245-I277 HydrophobicContact CG2-CD1 4.07Å; V249-I277 HydrophobicContact CG2-CD1 4.25Å; V249-I277 WeakPolarHBondContact O-CG1 3.43Å; V252-I277 HydrophobicContact CB-CG2 4.46Å; V252-I277 HydrophobicContact CG2-CG2 3.81Å; R267-I277 PolarHBondContact NH1-O 2.94Å; R267-I277 PolarHBondContact NH2-O 3.15Å; L270-I277 HydrophobicContact CD1-CB 4.26Å; L270-I277 HydrophobicContact CD1-CG2 4.27Å; L270-I277 HydrophobicContact CD2-CD1 4.13Å; G274-I277 WeakPolarHBondContact O-CB 3.39Å; G274-I277 PolarHBondContact O-N 3.3Å
278	K	98.7	Very high	97.3	Very high	45 Å²	45	42.4 Å²	42.4	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	131.6	178.2	-62.2	-55.3	-170.9	-179.8	0	111.1	D250 M251 V252 Y276 D300 Q474 L477	D250-K278 PolarHBondContact O-N 3.39Å; D250-K278 VanDerWaalsContact O-N 3.14Å; M251-K278 CarbonylContact C-O 3.5Å; M251-K278 WeakPolarHBondContact CA-O 3.46Å; M251-K278 HydrophobicContact CB-CB 3.92Å; M251-K278 WeakPolarHBondContact CB-O 3.31Å; V252-K278 PolarHBondContact N-O 2.96Å; Y276-K278 PolarHBondContact O-N 3.41Å; K278-D300 WeakPolarHBondContact CA-OD2 3.44Å; K278-D300 HydrophobicContact CB-CB 4.07Å; K278-D300 HydrophobicContact CD-CB 3.82Å; K278-D300 VanDerWaalsContact CD-CG 3.42Å; K278-D300 VanDerWaalsContact CD-OD1 3.26Å; K278-D300 WeakPolarHBondContact CD-OD1 3.45Å; K278-D300 IonicContact NZ-OD1 3.8Å; K278-D300 PolarHBondContact NZ-OD1 2.75Å; K278-Q474 HydrophobicContact CG-CB 4.49Å; K278-Q474 HydrophobicContact CG-CG 4.13Å; K278-L477 HydrophobicContact CB-CD1 4.34Å; K278-L477 HydrophobicContact CG-CD1 4.42Å
279	I	98.7	Very high	97.4	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114.2	174.7	-58.8	168.7	0	0	0	108.7	A254 V263 I266 R267 L270 D300 G301	A254-I279 HydrophobicContact CB-CG2 4.42Å; V263-I279 HydrophobicContact CG1-CD1 4.47Å; V263-I279 HydrophobicContact CG1-CG2 4.22Å; I266-I279 HydrophobicContact CB-CD1 4.32Å; I266-I279 HydrophobicContact CG2-CD1 3.81Å; I266-I279 HydrophobicContact CG2-CG1 4.14Å; I266-I279 HydrophobicContact CG2-CG2 4.47Å; R267-I279 HydrophobicContact CB-CD1 3.9Å; L270-I279 HydrophobicContact CD1-CD1 4.08Å; L270-I279 HydrophobicContact CD1-CG1 4.03Å; I279-D300 PolarHBondContact N-OD2 3.27Å; I279-D300 WeakPolarHBondContact O-CB 3.36Å; I279-D300 PolarHBondContact O-N 3.49Å; I279-G301 PolarHBondContact O-N 3.44Å
280	I	98.8	Very high	97.4	Very high	1 Å²	1	39.7 Å²	39.7	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	113.3	172.9	-48.4	-56.9	0	0	0	107.8	V252 F253 A254 G301 I302 M303 I337 L477	V252-I280 PolarHBondContact O-N 3.42Å; F253-I280 WeakPolarHBondContact CA-O 3.45Å; F253-I280 HydrophobicContact CD1-CB 3.71Å; F253-I280 HydrophobicContact CD1-CG1 3.77Å; F253-I280 HydrophobicContact CD1-CG2 4.32Å; F253-I280 HydrophobicContact CE1-CB 4.18Å; F253-I280 HydrophobicContact CE1-CG1 3.81Å; A254-I280 PolarHBondContact N-O 3.08Å; I280-G301 WeakPolarHBondContact CA-O 3.4Å; I280-I302 VanDerWaalsContact CG2-C 3.44Å; I280-M303 HydrophobicContact CG2-CB 4.06Å; I280-I337 HydrophobicContact CG2-CD1 3.92Å; I280-L477 HydrophobicContact CD1-CD1 3.97Å; I280-L477 HydrophobicContact CD1-CD2 4.27Å; I280-L477 HydrophobicContact CG1-CD2 4.48Å
281	A	98.6	Very high	97.4	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.8	177.3	0	0	0	0	0	110.3	I257 I295 V299 G301 I302 M303	I257-A281 HydrophobicContact CB-CB 3.78Å; I257-A281 HydrophobicContact CG1-CB 3.79Å; I257-A281 HydrophobicContact CG2-CB 3.81Å; A281-I295 HydrophobicContact CB-CG2 3.71Å; A281-V299 HydrophobicContact CB-CB 4.46Å; A281-V299 HydrophobicContact CB-CG1 3.63Å; A281-G301 PolarHBondContact N-O 3.35Å; A281-I302 HydrophobicContact CB-CD1 4.11Å; A281-I302 CarbonylContact O-C 3.59Å; A281-I302 WeakPolarHBondContact O-CA 3.45Å; A281-M303 PolarHBondContact O-N 2.82Å
282	K	98.6	Very high	97.4	Very high	14 Å²	14	41.8 Å²	41.8	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	120	170.6	-55.9	168.2	68.1	-146.3	0	107.5	D125 F253 A254 S255 I257 E284 M303 A305	D125-K282 WeakPolarHBondContact OD1-CE 3.38Å; D125-K282 IonicContact OD1-NZ 3.29Å; D125-K282 PolarHBondContact OD1-NZ 3.42Å; D125-K282 WeakPolarHBondContact OD2-CE 3.46Å; D125-K282 IonicContact OD2-NZ 3.34Å; F253-K282 HydrophobicContact CB-CD 3.87Å; F253-K282 HydrophobicContact CB-CG 4.15Å; A254-K282 VanDerWaalsContact O-CB 3.27Å; A254-K282 WeakPolarHBondContact O-CB 3.41Å; A254-K282 WeakPolarHBondContact O-CG 3.49Å; A254-K282 PolarHBondContact O-N 2.86Å; S255-K282 PolarHBondContact OG-NZ 3.24Å; I257-K282 PolarHBondContact N-O 3.26Å; K282-E284 HydrophobicContact CB-CG 3.64Å; K282-E284 WeakPolarHBondContact CB-OE1 3.2Å; K282-E284 WeakPolarHBondContact CE-OE1 3.43Å; K282-E284 IonicContact NZ-OE1 3.37Å; K282-E284 PolarHBondContact NZ-OE1 3.2Å; K282-E284 IonicContact NZ-OE2 2.55Å; K282-M303 WeakPolarHBondContact CA-O 3.4Å; K282-M303 HydrophobicContact CB-CB 4.49Å; K282-M303 HydrophobicContact CD-SD 4.31Å; K282-M303 HydrophobicContact CG-CB 4.05Å; K282-M303 HydrophobicContact CG-CG 4.42Å; K282-M303 HydrophobicContact CG-SD 3.94Å; K282-A305 HydrophobicContact CB-CB 4.37Å
283	I	98.4	Very high	97.5	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	106.2	176.2	-55.2	-60.3	0	0	0	107.7	V289 F292 I295 I302 M303 A305 M325	I283-V289 HydrophobicContact CG2-CG2 3.72Å; I283-F292 HydrophobicContact CD1-CD2 4.23Å; I283-F292 HydrophobicContact CG1-CD2 3.97Å; I283-F292 HydrophobicContact CG1-CE2 4.01Å; I283-I295 HydrophobicContact CD1-CD1 3.85Å; I283-I295 HydrophobicContact CD1-CG2 4.19Å; I283-I302 HydrophobicContact CD1-CD1 4.41Å; I283-I302 HydrophobicContact CG1-CD1 4.25Å; I283-I302 HydrophobicContact CG1-CG2 4.11Å; I283-M303 PolarHBondContact N-O 3.34Å; I283-A305 PolarHBondContact O-N 2.76Å; I283-M325 HydrophobicContact CB-CE 4.36Å; I283-M325 HydrophobicContact CB-SD 3.55Å; I283-M325 VanDerWaalsContact CB-SD 3.55Å; I283-M325 HydrophobicContact CG1-SD 3.8Å; I283-M325 HydrophobicContact CG2-CE 4.2Å; I283-M325 HydrophobicContact CG2-SD 3.58Å; I283-M325 VanDerWaalsContact CG2-SD 3.58Å
284	E	96.6	Very high	97.5	Very high	2 Å²	2	35 Å²	35	1%	0.009	17%	0.172	C	C	.	.			trans	-128.8	-2.6	-163.5	-42.9	-161.2	118.7	0	0	112.4	S255 F256 K282 A305 D308 L309 E312	S255-E284 WeakPolarHBondContact CA-OE2 3.43Å; S255-E284 WeakPolarHBondContact CB-OE2 3.38Å; F256-E284 HydrophobicContact CD1-CB 4.05Å; F256-E284 WeakPolarHBondContact CD2-OE2 3.43Å; F256-E284 HydrophobicContact CE1-CB 4.19Å; F256-E284 PolarHBondContact N-OE2 2.83Å; K282-E284 HydrophobicContact CB-CG 3.64Å; K282-E284 WeakPolarHBondContact CB-OE1 3.2Å; K282-E284 WeakPolarHBondContact CE-OE1 3.43Å; K282-E284 IonicContact NZ-OE1 3.37Å; K282-E284 PolarHBondContact NZ-OE1 3.2Å; K282-E284 IonicContact NZ-OE2 2.55Å; E284-A305 HydrophobicContact CG-CB 3.7Å; E284-A305 WeakPolarHBondContact OE1-CB 3.3Å; E284-D308 HydrophobicContact CB-CB 3.86Å; E284-D308 CarbonylContact O-C 3.59Å; E284-L309 VanDerWaalsContact O-CA 3.29Å; E284-L309 WeakPolarHBondContact O-CA 3.25Å; E284-L309 PolarHBondContact O-N 2.93Å; E284-E312 WeakPolarHBondContact O-CG 3.44Å
285	N	94.7	Very high	97.6	Very high	16 Å²	16	35 Å²	35	9%	0.086	17%	0.172	C	C	.	.	S	Bend	trans	-146.4	172.6	-178.7	66.6	22	0	0	0	112.7	R258 E287 G288 V289 E312	R258-N285 WeakPolarHBondContact CG-ND2 3.46Å; N285-E287 PolarHBondContact O-N 3.28Å; N285-E287 PolarHBondContact OD1-N 2.88Å; N285-G288 PolarHBondContact O-N 2.94Å; N285-G288 PolarHBondContact OD1-N 3.31Å; N285-V289 WeakPolarHBondContact O-CG2 3Å; N285-V289 PolarHBondContact O-N 3.38Å; N285-E312 HydrophobicContact CB-CB 4.07Å; N285-E312 HydrophobicContact CB-CG 3.9Å
286	H	95.5	Very high	97.6	Very high	87 Å²	87	32.3 Å²	32.3	40%	0.403	15%	0.149	S	C	.	.	H	α-helix	trans	-63.4	-40.5	-177.2	-165.7	177.5	0	0	0	112.8	G288 V289 Q290 I313	H286-G288 PolarHBondContact O-N 3.12Å; H286-V289 PolarHBondContact O-N 3.41Å; H286-Q290 PolarHBondContact NE2-NE2 3.32Å; H286-Q290 WeakPolarHBondContact O-CG 3.4Å; H286-Q290 PolarHBondContact O-N 3.34Å; H286-I313 HydrophobicContact CB-CG2 3.85Å
287	E	95.2	Very high	97.7	Very high	41 Å²	41	34.3 Å²	34.3	19%	0.192	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-45.8	179.4	-169	-175.2	166.5	0	0	111.2	R258 N285 V289 Q290 R291	R258-E287 HydrophobicContact CB-CB 4.39Å; R258-E287 HydrophobicContact CB-CG 4.17Å; R258-E287 VanDerWaalsContact CD-OE2 3.29Å; R258-E287 WeakPolarHBondContact CD-OE2 3.24Å; R258-E287 HydrophobicContact CG-CB 4.33Å; R258-E287 IonicContact CZ-OE2 2.72Å; R258-E287 IonicContact NE-OE2 3.19Å; R258-E287 IonicContact NH1-OE2 2.9Å; R258-E287 PolarHBondContact NH1-OE2 2.93Å; R258-E287 VanDerWaalsContact NH1-OE2 3.14Å; N285-E287 PolarHBondContact O-N 3.28Å; N285-E287 PolarHBondContact OD1-N 2.88Å; E287-V289 VanDerWaalsContact C-N 3.28Å; E287-V289 PolarHBondContact O-N 3.39Å; E287-Q290 PolarHBondContact O-N 2.99Å; E287-Q290 VanDerWaalsContact O-N 3.13Å; E287-R291 HydrophobicContact CG-CG 4.42Å; E287-R291 WeakPolarHBondContact O-CB 3.25Å; E287-R291 PolarHBondContact O-N 2.95Å; E287-R291 IonicContact OE1-NH1 3.5Å; E287-R291 PolarHBondContact OE1-NH1 3.38Å
288	G	96.7	Very high	97.7	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-61.5	-34.5	176.9	0	0	0	0	0	113.1	N285 H286 F292	N285-G288 PolarHBondContact O-N 2.94Å; N285-G288 PolarHBondContact OD1-N 3.31Å; H286-G288 PolarHBondContact O-N 3.12Å; G288-F292 VanDerWaalsContact O-CA 3.27Å; G288-F292 WeakPolarHBondContact O-CA 3.19Å; G288-F292 PolarHBondContact O-N 3.48Å; G288-F292 VanDerWaalsContact O-N 3.09Å
289	V	97.8	Very high	97.7	Very high	29 Å²	29	34.9 Å²	34.9	18%	0.176	17%	0.172	C	C	.	.	H	α-helix	trans	-68.9	-42.5	173.1	174.8	0	0	0	0	111.5	I283 N285 H286 E287 F292 L309 A321 M324	I283-V289 HydrophobicContact CG2-CG2 3.72Å; N285-V289 WeakPolarHBondContact O-CG2 3Å; N285-V289 PolarHBondContact O-N 3.38Å; H286-V289 PolarHBondContact O-N 3.41Å; E287-V289 VanDerWaalsContact C-N 3.28Å; E287-V289 PolarHBondContact O-N 3.39Å; V289-F292 WeakPolarHBondContact O-CB 3.36Å; V289-F292 PolarHBondContact O-N 2.97Å; V289-L309 HydrophobicContact CG2-CD1 3.89Å; V289-A321 HydrophobicContact CG2-CB 4.39Å; V289-M324 HydrophobicContact CG1-CE 3.97Å
290	Q	97.4	Very high	97.7	Very high	139 Å²	139	36.4 Å²	36.4	65%	0.65	18%	0.18	S	C	*	.	H	α-helix	trans	-66.2	-40.9	178.9	-72.5	-176.9	-15.1	0	0	112.1	H286 E287 F292	H286-Q290 PolarHBondContact NE2-NE2 3.32Å; H286-Q290 WeakPolarHBondContact O-CG 3.4Å; H286-Q290 PolarHBondContact O-N 3.34Å; E287-Q290 PolarHBondContact O-N 2.99Å; E287-Q290 VanDerWaalsContact O-N 3.13Å; Q290-F292 VanDerWaalsContact C-N 3.3Å; Q290-F292 PolarHBondContact O-N 3.01Å
291	R	97.2	Very high	97.7	Very high	81 Å²	81	36.4 Å²	36.4	31%	0.306	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	18.1	-178.7	-60.1	-176.8	70.8	174.5	1.3	112.7	R258 N259 E287 N293 E294 I295	R258-R291 WeakPolarHBondContact O-CB 3.34Å; R258-R291 WeakPolarHBondContact O-CD 3.19Å; N259-R291 VanDerWaalsContact CB-NH1 3.32Å; E287-R291 HydrophobicContact CG-CG 4.42Å; E287-R291 WeakPolarHBondContact O-CB 3.25Å; E287-R291 PolarHBondContact O-N 2.95Å; E287-R291 IonicContact OE1-NH1 3.5Å; E287-R291 PolarHBondContact OE1-NH1 3.38Å; R291-N293 VanDerWaalsContact C-N 3.27Å; R291-N293 PolarHBondContact O-N 3.04Å; R291-N293 VanDerWaalsContact O-N 3.12Å; R291-E294 HydrophobicContact CB-CG 3.9Å; R291-E294 IonicContact CZ-OE1 3.94Å; R291-E294 VanDerWaalsContact CZ-OE1 3.25Å; R291-E294 IonicContact CZ-OE2 2.73Å; R291-E294 IonicContact NE-OE1 3.68Å; R291-E294 PolarHBondContact NE-OE1 3.2Å; R291-E294 IonicContact NE-OE2 2.95Å; R291-E294 PolarHBondContact NE-OE2 3.22Å; R291-E294 VanDerWaalsContact NH2-CD 3.33Å; R291-E294 IonicContact NH2-OE1 2.77Å; R291-E294 PolarHBondContact NH2-OE1 3.2Å; R291-E294 IonicContact NH2-OE2 3.11Å; R291-E294 PolarHBondContact NH2-OE2 3.01Å; R291-E294 WeakPolarHBondContact O-CG 3.39Å; R291-E294 PolarHBondContact O-N 3.19Å; R291-I295 HydrophobicContact CB-CD1 4.43Å; R291-I295 PolarHBondContact O-N 3.14Å
292	F	98.6	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-55.3	-38.7	-170.9	-177.8	-100.7	0	0	0	114.2	I283 G288 V289 Q290 I295 L296 I302 M324 M325 R328	I283-F292 HydrophobicContact CD1-CD2 4.23Å; I283-F292 HydrophobicContact CG1-CD2 3.97Å; I283-F292 HydrophobicContact CG1-CE2 4.01Å; G288-F292 VanDerWaalsContact O-CA 3.27Å; G288-F292 WeakPolarHBondContact O-CA 3.19Å; G288-F292 PolarHBondContact O-N 3.48Å; G288-F292 VanDerWaalsContact O-N 3.09Å; V289-F292 WeakPolarHBondContact O-CB 3.36Å; V289-F292 PolarHBondContact O-N 2.97Å; Q290-F292 VanDerWaalsContact C-N 3.3Å; Q290-F292 PolarHBondContact O-N 3.01Å; F292-I295 PolarHBondContact O-N 3.09Å; F292-L296 HydrophobicContact CE1-CB 4.22Å; F292-L296 HydrophobicContact CE1-CD2 3.83Å; F292-L296 HydrophobicContact CE1-CG 4.48Å; F292-L296 HydrophobicContact CZ-CD2 4.42Å; F292-L296 VanDerWaalsContact O-CB 3.25Å; F292-L296 WeakPolarHBondContact O-CB 3.25Å; F292-L296 PolarHBondContact O-N 3.41Å; F292-I302 HydrophobicContact CE2-CB 4.44Å; F292-I302 HydrophobicContact CE2-CD1 3.77Å; F292-I302 HydrophobicContact CE2-CG1 3.8Å; F292-I302 HydrophobicContact CE2-CG2 3.84Å; F292-I302 HydrophobicContact CZ-CD1 4.28Å; F292-I302 HydrophobicContact CZ-CG1 3.87Å; F292-I302 HydrophobicContact CZ-CG2 4.28Å; F292-M324 HydrophobicContact CB-CE 4.38Å; F292-M324 HydrophobicContact CD1-CE 4.49Å; F292-M324 HydrophobicContact CD1-SD 4.01Å; F292-M324 HydrophobicContact CE1-SD 4.4Å; F292-M324 HydrophobicContact CG-CE 4.31Å; F292-M324 HydrophobicContact CG-SD 4.42Å; F292-M325 HydrophobicContact CD2-CG 3.7Å; F292-M325 HydrophobicContact CD2-SD 3.89Å; F292-M325 HydrophobicContact CE1-CB 4.43Å; F292-M325 HydrophobicContact CE1-CG 4.28Å; F292-M325 HydrophobicContact CE2-CB 3.84Å; F292-M325 HydrophobicContact CE2-CG 3.36Å; F292-M325 HydrophobicContact CE2-SD 3.64Å; F292-M325 HydrophobicContact CG-CG 4.28Å; F292-M325 HydrophobicContact CZ-CB 3.71Å; F292-M325 HydrophobicContact CZ-CG 3.67Å; F292-M325 HydrophobicContact CZ-SD 4.48Å; F292-R328 HydrophobicContact CD1-CB 4.41Å; F292-R328 HydrophobicContact CE1-CB 3.68Å; F292-R328 HydrophobicContact CE1-CG 4.38Å
293	N	98.2	Very high	97.7	Very high	79 Å²	79	35.7 Å²	35.7	42%	0.422	18%	0.177	S	C	.	.	H	α-helix	trans	-67.2	-45.4	-176.7	-73.5	-8.4	0	0	0	112.8	R291 I295 L296 D297 R328	R291-N293 VanDerWaalsContact C-N 3.27Å; R291-N293 PolarHBondContact O-N 3.04Å; R291-N293 VanDerWaalsContact O-N 3.12Å; N293-I295 VanDerWaalsContact C-N 3.27Å; N293-I295 PolarHBondContact O-N 3.12Å; N293-L296 PolarHBondContact O-N 3Å; N293-D297 VanDerWaalsContact O-CG 3.28Å; N293-D297 PolarHBondContact O-N 2.91Å; N293-R328 VanDerWaalsContact CG-NH1 3.32Å; N293-R328 PolarHBondContact ND2-NH1 3.25Å; N293-R328 WeakPolarHBondContact OD1-CD 3.46Å; N293-R328 PolarHBondContact OD1-NH1 2.84Å
294	E	98.2	Very high	97.7	Very high	64 Å²	64	35.7 Å²	35.7	30%	0.299	18%	0.177	S	C	.	.	H	α-helix	trans	-64.6	-34.7	177.9	55.8	161.3	-108.8	0	0	111.5	N259 A260 R291	N259-E294 WeakPolarHBondContact CA-OE1 3.43Å; N259-E294 VanDerWaalsContact CB-OE1 3.24Å; N259-E294 WeakPolarHBondContact CB-OE1 3.35Å; A260-E294 HydrophobicContact CB-CB 4.32Å; A260-E294 PolarHBondContact N-OE1 2.75Å; R291-E294 HydrophobicContact CB-CG 3.9Å; R291-E294 IonicContact CZ-OE1 3.94Å; R291-E294 VanDerWaalsContact CZ-OE1 3.25Å; R291-E294 IonicContact CZ-OE2 2.73Å; R291-E294 IonicContact NE-OE1 3.68Å; R291-E294 PolarHBondContact NE-OE1 3.2Å; R291-E294 IonicContact NE-OE2 2.95Å; R291-E294 PolarHBondContact NE-OE2 3.22Å; R291-E294 VanDerWaalsContact NH2-CD 3.33Å; R291-E294 IonicContact NH2-OE1 2.77Å; R291-E294 PolarHBondContact NH2-OE1 3.2Å; R291-E294 IonicContact NH2-OE2 3.11Å; R291-E294 PolarHBondContact NH2-OE2 3.01Å; R291-E294 WeakPolarHBondContact O-CG 3.39Å; R291-E294 PolarHBondContact O-N 3.19Å
295	I	98.7	Very high	97.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-51	173.7	-63.1	162.2	0	0	0	108.9	I257 V263 A281 I283 R291 F292 N293 D297 V298 V299 I302	I257-I295 HydrophobicContact CG2-CD1 4.05Å; I257-I295 HydrophobicContact CG2-CG1 4.04Å; I257-I295 HydrophobicContact CG2-CG2 3.72Å; V263-I295 HydrophobicContact CG2-CG2 4.41Å; A281-I295 HydrophobicContact CB-CG2 3.71Å; I283-I295 HydrophobicContact CD1-CD1 3.85Å; I283-I295 HydrophobicContact CD1-CG2 4.19Å; R291-I295 HydrophobicContact CB-CD1 4.43Å; R291-I295 PolarHBondContact O-N 3.14Å; F292-I295 PolarHBondContact O-N 3.09Å; N293-I295 VanDerWaalsContact C-N 3.27Å; N293-I295 PolarHBondContact O-N 3.12Å; I295-D297 PolarHBondContact O-N 2.77Å; I295-V298 WeakPolarHBondContact O-CG2 3.4Å; I295-V298 PolarHBondContact O-N 2.92Å; I295-V298 VanDerWaalsContact O-N 3.12Å; I295-V299 HydrophobicContact CG2-CG1 3.73Å; I295-V299 VanDerWaalsContact O-CG1 3.29Å; I295-V299 WeakPolarHBondContact O-CG1 3.31Å; I295-V299 VanDerWaalsContact O-CG2 3.25Å; I295-V299 WeakPolarHBondContact O-CG2 3.28Å; I295-V299 PolarHBondContact O-N 2.95Å; I295-V299 VanDerWaalsContact O-N 3.08Å; I295-I302 HydrophobicContact CG2-CD1 4.21Å
296	L	98.6	Very high	98	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-56.9	-35.2	-179.1	-179.2	62.6	0	0	0	111.8	F292 N293 V298 I302 R328 V332 K334	F292-L296 HydrophobicContact CE1-CB 4.22Å; F292-L296 HydrophobicContact CE1-CD2 3.83Å; F292-L296 HydrophobicContact CE1-CG 4.48Å; F292-L296 HydrophobicContact CZ-CD2 4.42Å; F292-L296 VanDerWaalsContact O-CB 3.25Å; F292-L296 WeakPolarHBondContact O-CB 3.25Å; F292-L296 PolarHBondContact O-N 3.41Å; N293-L296 PolarHBondContact O-N 3Å; L296-V298 VanDerWaalsContact C-N 3.33Å; L296-V298 PolarHBondContact O-N 2.82Å; L296-I302 HydrophobicContact CD1-CG1 3.95Å; L296-R328 HydrophobicContact CD2-CB 4.09Å; L296-V332 HydrophobicContact CD1-CG2 4.03Å; L296-V332 HydrophobicContact CD2-CG1 4.26Å; L296-V332 HydrophobicContact CD2-CG2 3.84Å; L296-V332 HydrophobicContact CG-CG2 4.06Å; L296-K334 HydrophobicContact CD1-CB 4.27Å; L296-K334 HydrophobicContact CD1-CD 3.96Å; L296-K334 WeakPolarHBondContact O-CD 3.38Å; L296-K334 WeakPolarHBondContact O-CE 3.47Å; L296-K334 PolarHBondContact O-NZ 2.78Å
297	D	98.2	Very high	97.9	Very high	116 Å²	116	33.5 Å²	33.5	62%	0.62	17%	0.171	S	C	*	.	H	α-helix	trans	-63	-37.9	179.6	-74	-23.1	0	0	0	112.5	N293 I295 K334	N293-D297 VanDerWaalsContact O-CG 3.28Å; N293-D297 PolarHBondContact O-N 2.91Å; I295-D297 PolarHBondContact O-N 2.77Å; D297-K334 PolarHBondContact O-NZ 2.66Å
298	V	98.3	Very high	97.8	Very high	53 Å²	53	33.6 Å²	33.6	32%	0.321	17%	0.173	S	C	.	.	H	α-helix	trans	-102	-18.1	-170.7	-57.4	0	0	0	0	115	A260 V263 I295 L296	A260-V298 HydrophobicContact CB-CG1 4.28Å; A260-V298 HydrophobicContact CB-CG2 3.81Å; V263-V298 HydrophobicContact CB-CG2 3.77Å; V263-V298 HydrophobicContact CG1-CG2 3.9Å; V263-V298 HydrophobicContact CG2-CG2 4.07Å; I295-V298 WeakPolarHBondContact O-CG2 3.4Å; I295-V298 PolarHBondContact O-N 2.92Å; I295-V298 VanDerWaalsContact O-N 3.12Å; L296-V298 VanDerWaalsContact C-N 3.33Å; L296-V298 PolarHBondContact O-N 2.82Å
299	V	98.5	Very high	97.8	Very high	4 Å²	4	33.6 Å²	33.6	2%	0.024	17%	0.173	C	C	.	.	S	Bend	trans	-83.2	163.5	179.6	-62.7	0	0	0	0	113.1	V263 A281 I295 G301 I302 K334	V263-V299 HydrophobicContact CB-CG1 4.18Å; V263-V299 HydrophobicContact CG1-CG1 3.64Å; V263-V299 HydrophobicContact CG2-CG1 3.47Å; V263-V299 VanDerWaalsContact CG2-CG1 3.47Å; A281-V299 HydrophobicContact CB-CB 4.46Å; A281-V299 HydrophobicContact CB-CG1 3.63Å; I295-V299 HydrophobicContact CG2-CG1 3.73Å; I295-V299 VanDerWaalsContact O-CG1 3.29Å; I295-V299 WeakPolarHBondContact O-CG1 3.31Å; I295-V299 VanDerWaalsContact O-CG2 3.25Å; I295-V299 WeakPolarHBondContact O-CG2 3.28Å; I295-V299 PolarHBondContact O-N 2.95Å; I295-V299 VanDerWaalsContact O-N 3.08Å; V299-G301 WeakPolarHBondContact CG2-O 3.5Å; V299-I302 HydrophobicContact CG2-CD1 3.87Å; V299-I302 HydrophobicContact CG2-CG1 4.4Å; V299-K334 WeakPolarHBondContact O-CD 3.46Å; V299-K334 WeakPolarHBondContact O-CE 3.44Å; V299-K334 PolarHBondContact O-NZ 2.89Å
300	D	98.6	Very high	97.8	Very high	34 Å²	34	33.2 Å²	33.2	18%	0.182	18%	0.175	C	C	.	.	S	Bend	trans	-83.6	-21.5	170.8	-69.4	-80.6	0	0	0	112.8	R267 K278 I279 P335	R267-D300 IonicContact NH2-OD2 3.67Å; R267-D300 PolarHBondContact NH2-OD2 3.48Å; K278-D300 WeakPolarHBondContact CA-OD2 3.44Å; K278-D300 HydrophobicContact CB-CB 4.07Å; K278-D300 HydrophobicContact CD-CB 3.82Å; K278-D300 VanDerWaalsContact CD-CG 3.42Å; K278-D300 VanDerWaalsContact CD-OD1 3.26Å; K278-D300 WeakPolarHBondContact CD-OD1 3.45Å; K278-D300 IonicContact NZ-OD1 3.8Å; K278-D300 PolarHBondContact NZ-OD1 2.75Å; I279-D300 PolarHBondContact N-OD2 3.27Å; I279-D300 WeakPolarHBondContact O-CB 3.36Å; I279-D300 PolarHBondContact O-N 3.49Å; D300-P335 WeakPolarHBondContact O-CD 3.28Å
301	G	98.8	Very high	97.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	179.3	178.7	0	0	0	0	0	112.7	I279 I280 A281 V299 P335	I279-G301 PolarHBondContact O-N 3.44Å; I280-G301 WeakPolarHBondContact CA-O 3.4Å; A281-G301 PolarHBondContact N-O 3.35Å; V299-G301 WeakPolarHBondContact CG2-O 3.5Å; G301-P335 CarbonylContact C-O 3.59Å; G301-P335 VanDerWaalsContact CA-O 3.25Å; G301-P335 WeakPolarHBondContact CA-O 3.35Å
302	I	98.9	Very high	97.6	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.9	-175.9	-65.9	-64.3	0	0	0	110.8	I280 A281 I283 F292 I295 L296 V299 M325 C329 P335 V336 I337	I280-I302 VanDerWaalsContact CG2-C 3.44Å; A281-I302 HydrophobicContact CB-CD1 4.11Å; A281-I302 CarbonylContact O-C 3.59Å; A281-I302 WeakPolarHBondContact O-CA 3.45Å; I283-I302 HydrophobicContact CD1-CD1 4.41Å; I283-I302 HydrophobicContact CG1-CD1 4.25Å; I283-I302 HydrophobicContact CG1-CG2 4.11Å; F292-I302 HydrophobicContact CE2-CB 4.44Å; F292-I302 HydrophobicContact CE2-CD1 3.77Å; F292-I302 HydrophobicContact CE2-CG1 3.8Å; F292-I302 HydrophobicContact CE2-CG2 3.84Å; F292-I302 HydrophobicContact CZ-CD1 4.28Å; F292-I302 HydrophobicContact CZ-CG1 3.87Å; F292-I302 HydrophobicContact CZ-CG2 4.28Å; I295-I302 HydrophobicContact CG2-CD1 4.21Å; L296-I302 HydrophobicContact CD1-CG1 3.95Å; V299-I302 HydrophobicContact CG2-CD1 3.87Å; V299-I302 HydrophobicContact CG2-CG1 4.4Å; I302-M325 HydrophobicContact CG2-SD 4.37Å; I302-C329 VanDerWaalsContact CG1-SG 3.53Å; I302-P335 PolarHBondContact N-O 3.26Å; I302-V336 HydrophobicContact CB-CG2 4.26Å; I302-V336 HydrophobicContact CG2-CG2 4.17Å; I302-V336 CarbonylContact O-C 3.48Å; I302-V336 VanDerWaalsContact O-CA 3.31Å; I302-V336 WeakPolarHBondContact O-CA 3.2Å; I302-I337 PolarHBondContact O-N 3.34Å
303	M	98.9	Very high	97.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125	162	-179.8	-178.4	-62.6	0	0	109.4	F253 I280 A281 K282 I283 A305 I337 A339 M372	F253-M303 HydrophobicContact CB-CE 4.22Å; F253-M303 HydrophobicContact CD1-CE 4.22Å; F253-M303 HydrophobicContact CD2-CE 3.31Å; F253-M303 HydrophobicContact CE1-CE 4.37Å; F253-M303 HydrophobicContact CE2-CE 3.49Å; F253-M303 VanDerWaalsContact CE2-CE 3.49Å; F253-M303 HydrophobicContact CG-CE 3.69Å; F253-M303 HydrophobicContact CZ-CE 4.02Å; I280-M303 HydrophobicContact CG2-CB 4.06Å; A281-M303 PolarHBondContact O-N 2.82Å; K282-M303 WeakPolarHBondContact CA-O 3.4Å; K282-M303 HydrophobicContact CB-CB 4.49Å; K282-M303 HydrophobicContact CD-SD 4.31Å; K282-M303 HydrophobicContact CG-CB 4.05Å; K282-M303 HydrophobicContact CG-CG 4.42Å; K282-M303 HydrophobicContact CG-SD 3.94Å; I283-M303 PolarHBondContact N-O 3.34Å; M303-A305 HydrophobicContact CG-CB 4.47Å; M303-A305 PolarHBondContact O-N 3.17Å; M303-I337 HydrophobicContact CB-CB 4.16Å; M303-I337 HydrophobicContact CB-CD1 4.39Å; M303-I337 HydrophobicContact CE-CB 4.45Å; M303-I337 HydrophobicContact CE-CD1 3.74Å; M303-I337 HydrophobicContact CE-CG2 4.16Å; M303-I337 HydrophobicContact CG-CB 4.08Å; M303-I337 HydrophobicContact CG-CG2 4.2Å; M303-A339 HydrophobicContact CG-CB 3.69Å; M303-A339 HydrophobicContact SD-CB 3.73Å; M303-M372 HydrophobicContact CE-CE 4.19Å; M303-M372 HydrophobicContact CE-SD 3.53Å; M303-M372 VanDerWaalsContact CE-SD 3.53Å; M303-M372 HydrophobicContact SD-CE 3.9Å; M303-M372 HydrophobicContact SD-SD 4.04Å
304	V	98.8	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	93.1	167.9	-177.1	0	0	0	0	107.3	R306 Q322 M325 V336 I337 A339	V304-R306 HydrophobicContact CG1-CG 3.81Å; V304-R306 PolarHBondContact O-N 2.58Å; V304-Q322 HydrophobicContact CG1-CB 3.98Å; V304-Q322 HydrophobicContact CG1-CG 4.24Å; V304-M325 HydrophobicContact CB-CE 4.13Å; V304-M325 HydrophobicContact CG1-CE 3.62Å; V304-M325 HydrophobicContact CG2-CB 3.94Å; V304-M325 HydrophobicContact CG2-CE 3.75Å; V304-M325 HydrophobicContact CG2-SD 4.08Å; V304-V336 HydrophobicContact CG2-CG2 4.17Å; V304-I337 PolarHBondContact N-O 3.23Å; V304-A339 PolarHBondContact O-N 3.03Å
305	A	97.9	Very high	97.2	Very high	2 Å²	2	25.2 Å²	25.2	2%	0.017	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	90.3	-178.2	0	0	0	0	0	110.1	K282 I283 E284 M303 G307 L309	K282-A305 HydrophobicContact CB-CB 4.37Å; I283-A305 PolarHBondContact O-N 2.76Å; E284-A305 HydrophobicContact CG-CB 3.7Å; E284-A305 WeakPolarHBondContact OE1-CB 3.3Å; M303-A305 HydrophobicContact CG-CB 4.47Å; M303-A305 PolarHBondContact O-N 3.17Å; A305-G307 VanDerWaalsContact C-N 3.29Å; A305-G307 PolarHBondContact O-N 2.86Å; A305-L309 WeakPolarHBondContact O-CB 3.44Å; A305-L309 PolarHBondContact O-N 2.69Å
306	R	97.9	Very high	97.1	Very high	33 Å²	33	31.4 Å²	31.4	13%	0.125	19%	0.186	C	C	.	.	H	α-helix	trans	-70.2	-22.1	-167.1	-57.2	178.6	-54.9	168.7	10.3	114.2	V304 G310 V318 A339 T340 M342 D359	V304-R306 HydrophobicContact CG1-CG 3.81Å; V304-R306 PolarHBondContact O-N 2.58Å; R306-G310 WeakPolarHBondContact O-CA 3.19Å; R306-G310 PolarHBondContact O-N 2.81Å; R306-V318 HydrophobicContact CB-CG1 4.05Å; R306-V318 HydrophobicContact CG-CG1 4Å; R306-A339 WeakPolarHBondContact CG-O 3.39Å; R306-A339 PolarHBondContact NE-O 3.37Å; R306-T340 WeakPolarHBondContact CA-OG1 3.33Å; R306-T340 WeakPolarHBondContact CB-OG1 3.39Å; R306-T340 PolarHBondContact N-OG1 2.8Å; R306-T340 PolarHBondContact NE-O 3.21Å; R306-T340 PolarHBondContact NH2-O 2.75Å; R306-M342 VanDerWaalsContact NH2-CG 3.35Å; R306-D359 IonicContact CZ-OD1 2.66Å; R306-D359 IonicContact CZ-OD2 2.74Å; R306-D359 VanDerWaalsContact CZ-OD2 3.29Å; R306-D359 IonicContact NH1-OD1 3.14Å; R306-D359 PolarHBondContact NH1-OD1 2.89Å; R306-D359 IonicContact NH1-OD2 3.45Å; R306-D359 PolarHBondContact NH1-OD2 3.33Å; R306-D359 IonicContact NH2-OD1 3.27Å; R306-D359 IonicContact NH2-OD2 3.26Å; R306-D359 PolarHBondContact NH2-OD2 2.8Å
307	G	93.4	Very high	97.1	Very high	23 Å²	23	36.5 Å²	36.5	24%	0.237	21%	0.208	C	C	.	.	H	α-helix	trans	-57.8	-75.3	176.4	0	0	0	0	0	111	A305 L309 G310 I311 T340	A305-G307 VanDerWaalsContact C-N 3.29Å; A305-G307 PolarHBondContact O-N 2.86Å; G307-L309 VanDerWaalsContact C-N 3.31Å; G307-L309 PolarHBondContact O-N 2.92Å; G307-G310 PolarHBondContact O-N 3.25Å; G307-I311 WeakPolarHBondContact O-CG1 3.3Å; G307-T340 PolarHBondContact N-OG1 3.46Å
308	D	94.6	Very high	97.1	Very high	44 Å²	44	31.8 Å²	31.8	24%	0.235	18%	0.183	C	C	.	.	H	α-helix	trans	-59.3	-39.6	177.1	-71.6	-75	0	0	0	112.7	N222 F256 E284 G310 I311 E312	N222-D308 PolarHBondContact ND2-OD1 2.9Å; F256-D308 HydrophobicContact CE1-CB 4.17Å; F256-D308 HydrophobicContact CZ-CB 4.13Å; F256-D308 WeakPolarHBondContact CZ-OD1 3.39Å; E284-D308 HydrophobicContact CB-CB 3.86Å; E284-D308 CarbonylContact O-C 3.59Å; D308-G310 VanDerWaalsContact C-N 3.29Å; D308-G310 PolarHBondContact O-N 2.69Å; D308-I311 WeakPolarHBondContact O-CB 3.36Å; D308-I311 PolarHBondContact O-N 3.07Å; D308-E312 WeakPolarHBondContact O-CB 3.35Å; D308-E312 WeakPolarHBondContact O-CG 3.38Å; D308-E312 PolarHBondContact O-N 2.79Å
309	L	97	Very high	97.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-39.7	178.4	-174.1	62.6	0	0	0	112	E284 V289 A305 G307 I311 E312 I313 A321 M325	E284-L309 VanDerWaalsContact O-CA 3.29Å; E284-L309 WeakPolarHBondContact O-CA 3.25Å; E284-L309 PolarHBondContact O-N 2.93Å; V289-L309 HydrophobicContact CG2-CD1 3.89Å; A305-L309 WeakPolarHBondContact O-CB 3.44Å; A305-L309 PolarHBondContact O-N 2.69Å; G307-L309 VanDerWaalsContact C-N 3.31Å; G307-L309 PolarHBondContact O-N 2.92Å; L309-I311 PolarHBondContact O-N 2.92Å; L309-E312 PolarHBondContact O-N 2.87Å; L309-I313 HydrophobicContact CD1-CD1 3.97Å; L309-I313 HydrophobicContact CD1-CG1 3.88Å; L309-I313 HydrophobicContact CD1-CG2 4.44Å; L309-I313 HydrophobicContact CG-CD1 4.03Å; L309-I313 HydrophobicContact CG-CG1 3.99Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 3.47Å; L309-A321 HydrophobicContact CD2-CB 4.09Å; L309-M325 HydrophobicContact CD2-CE 3.97Å
310	G	96.4	Very high	97.1	Very high	21 Å²	21	39.2 Å²	39.2	22%	0.216	22%	0.215	C	C	.	.	H	α-helix	trans	-71.1	-8.9	178	0	0	0	0	0	114.9	R306 G307 D308 I313 V318	R306-G310 WeakPolarHBondContact O-CA 3.19Å; R306-G310 PolarHBondContact O-N 2.81Å; G307-G310 PolarHBondContact O-N 3.25Å; D308-G310 VanDerWaalsContact C-N 3.29Å; D308-G310 PolarHBondContact O-N 2.69Å; G310-I313 CarbonylContact C-O 3.52Å; G310-V318 VanDerWaalsContact CA-CG2 3.45Å
311	I	95.4	Very high	97.1	Very high	21 Å²	21	38 Å²	38	11%	0.108	21%	0.209	C	C	.	.	H	α-helix	trans	-96.5	-43.9	171.4	-53.1	164.3	0	0	0	109.6	F187 N222 P224 G307 D308 L309	F187-I311 HydrophobicContact CB-CG2 3.62Å; F187-I311 HydrophobicContact CD1-CG2 4.43Å; F187-I311 HydrophobicContact CD2-CG2 4.19Å; F187-I311 HydrophobicContact CG-CG2 3.84Å; N222-I311 HydrophobicContact CB-CB 4.33Å; N222-I311 HydrophobicContact CB-CG2 3.47Å; N222-I311 VanDerWaalsContact CB-CG2 3.47Å; P224-I311 WeakPolarHBondContact CG-O 3.39Å; G307-I311 WeakPolarHBondContact O-CG1 3.3Å; D308-I311 WeakPolarHBondContact O-CB 3.36Å; D308-I311 PolarHBondContact O-N 3.07Å; L309-I311 PolarHBondContact O-N 2.92Å
312	E	95.2	Very high	97.1	Very high	24 Å²	24	38.5 Å²	38.5	11%	0.112	21%	0.211	C	C	.	.	H	α-helix	trans	-72.9	-27.3	-177.1	-73.3	-67.4	142.4	0	0	114.2	N222 L223 E284 N285 D308 L309	N222-E312 VanDerWaalsContact CB-OE1 3.25Å; N222-E312 WeakPolarHBondContact CB-OE1 3.32Å; N222-E312 PolarHBondContact ND2-OE1 3.44Å; L223-E312 PolarHBondContact N-OE1 3.42Å; E284-E312 WeakPolarHBondContact O-CG 3.44Å; N285-E312 HydrophobicContact CB-CB 4.07Å; N285-E312 HydrophobicContact CB-CG 3.9Å; D308-E312 WeakPolarHBondContact O-CB 3.35Å; D308-E312 WeakPolarHBondContact O-CG 3.38Å; D308-E312 PolarHBondContact O-N 2.79Å; L309-E312 PolarHBondContact O-N 2.87Å
313	I	96.2	Very high	97.1	Very high	17 Å²	17	42.7 Å²	42.7	9%	0.087	23%	0.229	C	C	.	.	S	Bend	trans	-123.4	157.6	168.1	63.9	163.3	0	0	0	109.6	H286 L309 G310 A315 K317 V318 A321	H286-I313 HydrophobicContact CB-CG2 3.85Å; L309-I313 HydrophobicContact CD1-CD1 3.97Å; L309-I313 HydrophobicContact CD1-CG1 3.88Å; L309-I313 HydrophobicContact CD1-CG2 4.44Å; L309-I313 HydrophobicContact CG-CD1 4.03Å; L309-I313 HydrophobicContact CG-CG1 3.99Å; L309-I313 WeakPolarHBondContact O-CG1 3.49Å; L309-I313 PolarHBondContact O-N 3.47Å; G310-I313 CarbonylContact C-O 3.52Å; I313-A315 PolarHBondContact O-N 3.44Å; I313-K317 HydrophobicContact CD1-CB 4.11Å; I313-V318 HydrophobicContact CD1-CG2 4.38Å; I313-V318 HydrophobicContact CG1-CG2 4.31Å; I313-A321 HydrophobicContact CD1-CB 4.25Å
314	P	94.6	Very high	97.1	Very high	65 Å²	65	44.9 Å²	44.9	42%	0.422	24%	0.24	S	C	.	.			trans	-52.7	131	175.5	-25.7	33.7	0	0	0	111.5	E316 K317	P314-E316 VanDerWaalsContact CB-CD 3.49Å; P314-E316 VanDerWaalsContact CB-OE1 3.28Å; P314-E316 WeakPolarHBondContact CB-OE1 3.41Å; P314-E316 WeakPolarHBondContact CB-OE2 3.45Å; P314-E316 PolarHBondContact O-N 3.4Å; P314-E316 VanDerWaalsContact O-N 3.13Å; P314-K317 HydrophobicContact CB-CD 4.42Å; P314-K317 HydrophobicContact CB-CG 4.33Å; P314-K317 HydrophobicContact CG-CD 4.29Å; P314-K317 WeakPolarHBondContact O-CB 3.37Å; P314-K317 PolarHBondContact O-N 2.97Å
315	A	95.2	Very high	97.1	Very high	68 Å²	68	44.9 Å²	44.9	56%	0.562	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-55.3	-35.5	-172.6	0	0	0	0	0	112.7	I313 K317 V318	I313-A315 PolarHBondContact O-N 3.44Å; A315-K317 PolarHBondContact O-N 3.27Å; A315-K317 VanDerWaalsContact O-N 3.13Å; A315-V318 WeakPolarHBondContact O-CB 3.29Å; A315-V318 WeakPolarHBondContact O-CG2 3.15Å; A315-V318 PolarHBondContact O-N 2.76Å; A315-V318 VanDerWaalsContact O-N 3.16Å
316	E	97.4	Very high	97.1	Very high	130 Å²	130	44.9 Å²	44.9	61%	0.607	24%	0.24	S	C	*	.	G	3₁₀ helix	trans	-66.6	-9.1	176.2	72.4	-81.6	-170.3	0	0	114.1	P314 F319	P314-E316 VanDerWaalsContact CB-CD 3.49Å; P314-E316 VanDerWaalsContact CB-OE1 3.28Å; P314-E316 WeakPolarHBondContact CB-OE1 3.41Å; P314-E316 WeakPolarHBondContact CB-OE2 3.45Å; P314-E316 PolarHBondContact O-N 3.4Å; P314-E316 VanDerWaalsContact O-N 3.13Å; E316-F319 WeakPolarHBondContact O-CD1 3.49Å; E316-F319 WeakPolarHBondContact O-CE1 3.31Å
317	K	98.2	Very high	97.2	Very high	112 Å²	112	45 Å²	45	49%	0.487	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-99.8	-10.8	175.2	-62.3	-172.3	179.3	-169.3	0	113.5	I313 P314 A315 F319 I320 A321	I313-K317 HydrophobicContact CD1-CB 4.11Å; P314-K317 HydrophobicContact CB-CD 4.42Å; P314-K317 HydrophobicContact CB-CG 4.33Å; P314-K317 HydrophobicContact CG-CD 4.29Å; P314-K317 WeakPolarHBondContact O-CB 3.37Å; P314-K317 PolarHBondContact O-N 2.97Å; A315-K317 PolarHBondContact O-N 3.27Å; A315-K317 VanDerWaalsContact O-N 3.13Å; K317-F319 VanDerWaalsContact C-N 3.28Å; K317-F319 PolarHBondContact O-N 3.09Å; K317-I320 WeakPolarHBondContact O-CB 3.25Å; K317-I320 PolarHBondContact O-N 3Å; K317-I320 VanDerWaalsContact O-N 3.07Å; K317-A321 PolarHBondContact O-N 3.34Å
318	V	98.5	Very high	97.4	Very high	17 Å²	17	48 Å²	48	10%	0.103	26%	0.256	C	S	.	.	H	α-helix	trans	-59	-39.8	-177.4	175.4	0	0	0	0	111.5	R306 G310 I313 A315 I320 A321 Q322	R306-V318 HydrophobicContact CB-CG1 4.05Å; R306-V318 HydrophobicContact CG-CG1 4Å; G310-V318 VanDerWaalsContact CA-CG2 3.45Å; I313-V318 HydrophobicContact CD1-CG2 4.38Å; I313-V318 HydrophobicContact CG1-CG2 4.31Å; A315-V318 WeakPolarHBondContact O-CB 3.29Å; A315-V318 WeakPolarHBondContact O-CG2 3.15Å; A315-V318 PolarHBondContact O-N 2.76Å; A315-V318 VanDerWaalsContact O-N 3.16Å; V318-I320 VanDerWaalsContact C-N 3.27Å; V318-I320 PolarHBondContact O-N 3.48Å; V318-A321 PolarHBondContact O-N 2.63Å; V318-Q322 WeakPolarHBondContact O-CB 3.39Å; V318-Q322 PolarHBondContact O-N 2.89Å
319	F	98.5	Very high	97.6	Very high	118 Å²	118	45.9 Å²	45.9	52%	0.518	24%	0.244	S	C	.	.	H	α-helix	trans	-64.7	-32.1	179.4	83.8	-89.9	0	0	0	112.6	E316 K317 K323	E316-F319 WeakPolarHBondContact O-CD1 3.49Å; E316-F319 WeakPolarHBondContact O-CE1 3.31Å; K317-F319 VanDerWaalsContact C-N 3.28Å; K317-F319 PolarHBondContact O-N 3.09Å; F319-K323 HydrophobicContact CD2-CD 4.43Å; F319-K323 WeakPolarHBondContact O-CB 3.49Å; F319-K323 WeakPolarHBondContact O-CG 3.35Å; F319-K323 PolarHBondContact O-N 3.13Å
320	I	98.7	Very high	97.7	Very high	95 Å²	95	46.4 Å²	46.4	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-67	-47.2	175.7	-56.6	175.4	0	0	0	109	K317 V318 M324	K317-I320 WeakPolarHBondContact O-CB 3.25Å; K317-I320 PolarHBondContact O-N 3Å; K317-I320 VanDerWaalsContact O-N 3.07Å; V318-I320 VanDerWaalsContact C-N 3.27Å; V318-I320 PolarHBondContact O-N 3.48Å; I320-M324 VanDerWaalsContact O-CB 3.28Å; I320-M324 WeakPolarHBondContact O-CB 3.4Å; I320-M324 PolarHBondContact O-N 3.34Å
321	A	98.7	Very high	97.7	Very high	7 Å²	7	49.2 Å²	49.2	6%	0.058	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-44.9	178.2	0	0	0	0	0	111.6	V289 L309 I313 K317 V318 M324 M325	V289-A321 HydrophobicContact CG2-CB 4.39Å; L309-A321 HydrophobicContact CD2-CB 4.09Å; I313-A321 HydrophobicContact CD1-CB 4.25Å; K317-A321 PolarHBondContact O-N 3.34Å; V318-A321 PolarHBondContact O-N 2.63Å; A321-M324 PolarHBondContact O-N 3.18Å; A321-M325 HydrophobicContact CB-CE 3.98Å; A321-M325 WeakPolarHBondContact O-CB 3.39Å; A321-M325 WeakPolarHBondContact O-CE 3.36Å; A321-M325 VanDerWaalsContact O-CG 3.27Å; A321-M325 WeakPolarHBondContact O-CG 3.34Å; A321-M325 PolarHBondContact O-N 2.94Å
322	Q	98.8	Very high	97.7	Very high	11 Å²	11	50.9 Å²	50.9	5%	0.051	27%	0.266	C	S	.	.	H	α-helix	trans	-55.7	-55.5	175.7	176.4	178.6	-59.4	0	0	111.7	V304 V318 M324 M325 I326 C338 D366	V304-Q322 HydrophobicContact CG1-CB 3.98Å; V304-Q322 HydrophobicContact CG1-CG 4.24Å; V318-Q322 WeakPolarHBondContact O-CB 3.39Å; V318-Q322 PolarHBondContact O-N 2.89Å; Q322-M324 VanDerWaalsContact C-N 3.31Å; Q322-M324 PolarHBondContact O-N 2.95Å; Q322-M325 PolarHBondContact O-N 2.94Å; Q322-I326 HydrophobicContact CG-CD1 3.66Å; Q322-I326 HydrophobicContact CG-CG1 4.45Å; Q322-I326 WeakPolarHBondContact O-CG1 3.3Å; Q322-I326 PolarHBondContact O-N 3.37Å; Q322-C338 PolarHBondContact OE1-SG 2.9Å; Q322-C338 VanDerWaalsContact OE1-SG 3.35Å; Q322-D366 PolarHBondContact NE2-OD2 3.22Å
323	K	98.8	Very high	97.8	Very high	88 Å²	88	50.5 Å²	50.5	38%	0.383	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-40.3	-178.2	-72.6	-178.3	-173.9	-56.1	0	111.8	F319 G327 D366	F319-K323 HydrophobicContact CD2-CD 4.43Å; F319-K323 WeakPolarHBondContact O-CB 3.49Å; F319-K323 WeakPolarHBondContact O-CG 3.35Å; F319-K323 PolarHBondContact O-N 3.13Å; K323-G327 PolarHBondContact O-N 2.81Å; K323-D366 WeakPolarHBondContact CG-OD2 3.19Å; K323-D366 IonicContact NZ-OD1 2.72Å; K323-D366 PolarHBondContact NZ-OD1 3.33Å; K323-D366 IonicContact NZ-OD2 3.18Å; K323-D366 PolarHBondContact NZ-OD2 2.7Å
324	M	98.7	Very high	97.9	Very high	47 Å²	47	52.1 Å²	52.1	23%	0.232	28%	0.275	C	S	.	.	H	α-helix	trans	-60.6	-50.2	175.8	-179.9	-80	-69.5	0	0	111.7	V289 F292 I320 A321 Q322 G327 R328	V289-M324 HydrophobicContact CG1-CE 3.97Å; F292-M324 HydrophobicContact CB-CE 4.38Å; F292-M324 HydrophobicContact CD1-CE 4.49Å; F292-M324 HydrophobicContact CD1-SD 4.01Å; F292-M324 HydrophobicContact CE1-SD 4.4Å; F292-M324 HydrophobicContact CG-CE 4.31Å; F292-M324 HydrophobicContact CG-SD 4.42Å; I320-M324 VanDerWaalsContact O-CB 3.28Å; I320-M324 WeakPolarHBondContact O-CB 3.4Å; I320-M324 PolarHBondContact O-N 3.34Å; A321-M324 PolarHBondContact O-N 3.18Å; Q322-M324 VanDerWaalsContact C-N 3.31Å; Q322-M324 PolarHBondContact O-N 2.95Å; M324-G327 PolarHBondContact O-N 2.71Å; M324-R328 WeakPolarHBondContact O-CG 3.11Å; M324-R328 PolarHBondContact O-N 3.03Å; M324-R328 VanDerWaalsContact SD-CD 3.59Å; M324-R328 HydrophobicContact SD-CG 4.27Å
325	M	98.9	Very high	98.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-65.4	-45.3	-177.9	-70.7	-172.5	-87.1	0	0	111.7	I283 F292 I302 V304 L309 A321 Q322 G327 R328 C329	I283-M325 HydrophobicContact CB-CE 4.36Å; I283-M325 HydrophobicContact CB-SD 3.55Å; I283-M325 VanDerWaalsContact CB-SD 3.55Å; I283-M325 HydrophobicContact CG1-SD 3.8Å; I283-M325 HydrophobicContact CG2-CE 4.2Å; I283-M325 HydrophobicContact CG2-SD 3.58Å; I283-M325 VanDerWaalsContact CG2-SD 3.58Å; F292-M325 HydrophobicContact CD2-CG 3.7Å; F292-M325 HydrophobicContact CD2-SD 3.89Å; F292-M325 HydrophobicContact CE1-CB 4.43Å; F292-M325 HydrophobicContact CE1-CG 4.28Å; F292-M325 HydrophobicContact CE2-CB 3.84Å; F292-M325 HydrophobicContact CE2-CG 3.36Å; F292-M325 HydrophobicContact CE2-SD 3.64Å; F292-M325 HydrophobicContact CG-CG 4.28Å; F292-M325 HydrophobicContact CZ-CB 3.71Å; F292-M325 HydrophobicContact CZ-CG 3.67Å; F292-M325 HydrophobicContact CZ-SD 4.48Å; I302-M325 HydrophobicContact CG2-SD 4.37Å; V304-M325 HydrophobicContact CB-CE 4.13Å; V304-M325 HydrophobicContact CG1-CE 3.62Å; V304-M325 HydrophobicContact CG2-CB 3.94Å; V304-M325 HydrophobicContact CG2-CE 3.75Å; V304-M325 HydrophobicContact CG2-SD 4.08Å; L309-M325 HydrophobicContact CD2-CE 3.97Å; A321-M325 HydrophobicContact CB-CE 3.98Å; A321-M325 WeakPolarHBondContact O-CB 3.39Å; A321-M325 WeakPolarHBondContact O-CE 3.36Å; A321-M325 VanDerWaalsContact O-CG 3.27Å; A321-M325 WeakPolarHBondContact O-CG 3.34Å; A321-M325 PolarHBondContact O-N 2.94Å; Q322-M325 PolarHBondContact O-N 2.94Å; M325-G327 PolarHBondContact O-N 3.12Å; M325-R328 PolarHBondContact O-N 3.08Å; M325-C329 WeakPolarHBondContact O-CB 3.43Å; M325-C329 PolarHBondContact O-N 3.36Å; M325-C329 PolarHBondContact O-SG 3.08Å
326	I	98.8	Very high	98.3	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-48.8	176.9	-66.7	171.1	0	0	0	110.4	Q322 R328 C329 N330 V336 D366 G367 A368	Q322-I326 HydrophobicContact CG-CD1 3.66Å; Q322-I326 HydrophobicContact CG-CG1 4.45Å; Q322-I326 WeakPolarHBondContact O-CG1 3.3Å; Q322-I326 PolarHBondContact O-N 3.37Å; I326-R328 PolarHBondContact O-N 2.88Å; I326-C329 PolarHBondContact O-N 2.91Å; I326-N330 WeakPolarHBondContact O-CB 3.33Å; I326-N330 PolarHBondContact O-N 3.03Å; I326-N330 PolarHBondContact O-ND2 3.07Å; I326-N330 PolarHBondContact O-OD1 3.38Å; I326-V336 HydrophobicContact CB-CG1 4.21Å; I326-V336 HydrophobicContact CG1-CG1 4.01Å; I326-V336 HydrophobicContact CG1-CG2 3.84Å; I326-V336 HydrophobicContact CG2-CG1 3.99Å; I326-D366 HydrophobicContact CD1-CB 3.91Å; I326-D366 HydrophobicContact CG2-CB 4.29Å; I326-D366 WeakPolarHBondContact CG2-O 3.19Å; I326-G367 VanDerWaalsContact CG2-C 3.45Å; I326-A368 HydrophobicContact CD1-CB 4.13Å
327	G	98.4	Very high	98.4	Very high	36 Å²	36	39.7 Å²	39.7	37%	0.371	20%	0.199	S	C	.	.	H	α-helix	trans	-57.7	-45.1	179	0	0	0	0	0	112.9	K323 M324 M325 N330 Q331	K323-G327 PolarHBondContact O-N 2.81Å; M324-G327 PolarHBondContact O-N 2.71Å; M325-G327 PolarHBondContact O-N 3.12Å; G327-N330 PolarHBondContact O-N 3.38Å; G327-Q331 WeakPolarHBondContact O-CB 3.49Å; G327-Q331 PolarHBondContact O-N 2.72Å
328	R	98.4	Very high	98.4	Very high	86 Å²	86	34.3 Å²	34.3	33%	0.325	18%	0.176	S	C	.	.	H	α-helix	trans	-67.8	-39.8	178	-73.7	-171.9	-177.5	174.1	8	112.8	F292 N293 L296 M324 M325 I326 Q331 V332	F292-R328 HydrophobicContact CD1-CB 4.41Å; F292-R328 HydrophobicContact CE1-CB 3.68Å; F292-R328 HydrophobicContact CE1-CG 4.38Å; N293-R328 VanDerWaalsContact CG-NH1 3.32Å; N293-R328 PolarHBondContact ND2-NH1 3.25Å; N293-R328 WeakPolarHBondContact OD1-CD 3.46Å; N293-R328 PolarHBondContact OD1-NH1 2.84Å; L296-R328 HydrophobicContact CD2-CB 4.09Å; M324-R328 WeakPolarHBondContact O-CG 3.11Å; M324-R328 PolarHBondContact O-N 3.03Å; M324-R328 VanDerWaalsContact SD-CD 3.59Å; M324-R328 HydrophobicContact SD-CG 4.27Å; M325-R328 PolarHBondContact O-N 3.08Å; I326-R328 PolarHBondContact O-N 2.88Å; R328-Q331 WeakPolarHBondContact O-CB 3.49Å; R328-Q331 PolarHBondContact O-N 2.68Å; R328-V332 PolarHBondContact O-N 2.99Å; R328-V332 VanDerWaalsContact O-N 3.15Å
329	C	98.8	Very high	98.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61	-44.3	173.5	-75.7	0	0	0	0	112	I302 M325 I326 Q331 V332 G333 K334 V336	I302-C329 VanDerWaalsContact CG1-SG 3.53Å; M325-C329 WeakPolarHBondContact O-CB 3.43Å; M325-C329 PolarHBondContact O-N 3.36Å; M325-C329 PolarHBondContact O-SG 3.08Å; I326-C329 PolarHBondContact O-N 2.91Å; C329-Q331 VanDerWaalsContact C-N 3.34Å; C329-Q331 PolarHBondContact O-N 2.88Å; C329-V332 WeakPolarHBondContact O-CG2 3.25Å; C329-V332 PolarHBondContact O-N 3.32Å; C329-G333 WeakPolarHBondContact O-CA 3.29Å; C329-G333 PolarHBondContact O-N 3.12Å; C329-K334 CarbonylContact C-O 3.46Å; C329-K334 WeakPolarHBondContact CB-O 3.36Å; C329-K334 PolarHBondContact O-N 3.06Å; C329-V336 HydrophobicContact CB-CB 3.62Å; C329-V336 HydrophobicContact CB-CG1 3.89Å; C329-V336 HydrophobicContact CB-CG2 4.29Å
330	N	98.4	Very high	98.2	Very high	11 Å²	11	29.2 Å²	29.2	6%	0.059	15%	0.154	C	C	.	.	H	α-helix	trans	-60.6	-44.7	175.6	-65	-8.7	0	0	0	111.2	I326 G327 V332 G333 D366 G367 L410 R457	I326-N330 WeakPolarHBondContact O-CB 3.33Å; I326-N330 PolarHBondContact O-N 3.03Å; I326-N330 PolarHBondContact O-ND2 3.07Å; I326-N330 PolarHBondContact O-OD1 3.38Å; G327-N330 PolarHBondContact O-N 3.38Å; N330-V332 VanDerWaalsContact C-N 3.32Å; N330-V332 PolarHBondContact O-N 3.03Å; N330-G333 PolarHBondContact O-N 3.22Å; N330-D366 PolarHBondContact ND2-O 2.63Å; N330-G367 PolarHBondContact ND2-O 3.32Å; N330-G367 PolarHBondContact OD1-O 2.91Å; N330-G367 VanDerWaalsContact OD1-O 3.14Å; N330-L410 HydrophobicContact CB-CD2 4.27Å; N330-R457 PolarHBondContact OD1-NH2 3.19Å
331	Q	96.4	Very high	98.1	Very high	79 Å²	79	30.5 Å²	30.5	37%	0.369	16%	0.158	S	C	.	.	H	α-helix	trans	-57.5	-42.5	178.9	-171.7	179.2	8.6	0	0	112	G327 R328 C329 R455	G327-Q331 WeakPolarHBondContact O-CB 3.49Å; G327-Q331 PolarHBondContact O-N 2.72Å; R328-Q331 WeakPolarHBondContact O-CB 3.49Å; R328-Q331 PolarHBondContact O-N 2.68Å; C329-Q331 VanDerWaalsContact C-N 3.34Å; C329-Q331 PolarHBondContact O-N 2.88Å; Q331-R455 PolarHBondContact O-NH2 3.34Å
332	V	96.1	Very high	98	Very high	56 Å²	56	30.1 Å²	30.1	34%	0.339	16%	0.156	S	C	.	.	H	α-helix	trans	-90	-14.4	-179.9	-55.9	0	0	0	0	113.7	L296 R328 C329 N330 K334 R455	L296-V332 HydrophobicContact CD1-CG2 4.03Å; L296-V332 HydrophobicContact CD2-CG1 4.26Å; L296-V332 HydrophobicContact CD2-CG2 3.84Å; L296-V332 HydrophobicContact CG-CG2 4.06Å; R328-V332 PolarHBondContact O-N 2.99Å; R328-V332 VanDerWaalsContact O-N 3.15Å; C329-V332 WeakPolarHBondContact O-CG2 3.25Å; C329-V332 PolarHBondContact O-N 3.32Å; N330-V332 VanDerWaalsContact C-N 3.32Å; N330-V332 PolarHBondContact O-N 3.03Å; V332-K334 HydrophobicContact CG2-CB 4.03Å; V332-K334 HydrophobicContact CG2-CD 4.25Å; V332-K334 HydrophobicContact CG2-CG 3.95Å; V332-R455 PolarHBondContact O-NH1 3.44Å
333	G	97.4	Very high	98	Very high	16 Å²	16	29.6 Å²	29.6	17%	0.165	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	34.4	-177.9	0	0	0	0	0	114.3	C329 N330	C329-G333 WeakPolarHBondContact O-CA 3.29Å; C329-G333 PolarHBondContact O-N 3.12Å; N330-G333 PolarHBondContact O-N 3.22Å
334	K	98.6	Very high	98	Very high	51 Å²	51	28.6 Å²	28.6	22%	0.222	15%	0.15	C	C	.	.			trans	-103.2	142.6	170.4	-71	-175.5	-179.7	-172.7	0	109.3	L296 D297 V299 C329 V332	L296-K334 HydrophobicContact CD1-CB 4.27Å; L296-K334 HydrophobicContact CD1-CD 3.96Å; L296-K334 WeakPolarHBondContact O-CD 3.38Å; L296-K334 WeakPolarHBondContact O-CE 3.47Å; L296-K334 PolarHBondContact O-NZ 2.78Å; D297-K334 PolarHBondContact O-NZ 2.66Å; V299-K334 WeakPolarHBondContact O-CD 3.46Å; V299-K334 WeakPolarHBondContact O-CE 3.44Å; V299-K334 PolarHBondContact O-NZ 2.89Å; C329-K334 CarbonylContact C-O 3.46Å; C329-K334 WeakPolarHBondContact CB-O 3.36Å; C329-K334 PolarHBondContact O-N 3.06Å; V332-K334 HydrophobicContact CG2-CB 4.03Å; V332-K334 HydrophobicContact CG2-CD 4.25Å; V332-K334 HydrophobicContact CG2-CG 3.95Å
335	P	98.8	Very high	98	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	15%	0.145	C	C	.	.			trans	-65.7	142.3	-177.3	28.4	-36	0	0	0	111.8	D300 G301 I302 D369 L477 Y478	D300-P335 WeakPolarHBondContact O-CD 3.28Å; G301-P335 CarbonylContact C-O 3.59Å; G301-P335 VanDerWaalsContact CA-O 3.25Å; G301-P335 WeakPolarHBondContact CA-O 3.35Å; I302-P335 PolarHBondContact N-O 3.26Å; P335-D369 WeakPolarHBondContact CA-OD2 3.42Å; P335-D369 HydrophobicContact CB-CB 4.41Å; P335-L477 HydrophobicContact CB-CB 3.93Å; P335-L477 WeakPolarHBondContact CB-O 3.43Å; P335-L477 HydrophobicContact CG-CB 4.08Å; P335-Y478 HydrophobicContact CB-CE1 4.5Å; P335-Y478 HydrophobicContact CG-CE1 4.2Å; P335-Y478 HydrophobicContact CG-CE2 4.35Å
336	V	98.9	Very high	98	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	133.6	176.3	63.1	0	0	0	0	112	I302 V304 I326 C329 D369 C370	I302-V336 HydrophobicContact CB-CG2 4.26Å; I302-V336 HydrophobicContact CG2-CG2 4.17Å; I302-V336 CarbonylContact O-C 3.48Å; I302-V336 VanDerWaalsContact O-CA 3.31Å; I302-V336 WeakPolarHBondContact O-CA 3.2Å; V304-V336 HydrophobicContact CG2-CG2 4.17Å; I326-V336 HydrophobicContact CB-CG1 4.21Å; I326-V336 HydrophobicContact CG1-CG1 4.01Å; I326-V336 HydrophobicContact CG1-CG2 3.84Å; I326-V336 HydrophobicContact CG2-CG1 3.99Å; C329-V336 HydrophobicContact CB-CB 3.62Å; C329-V336 HydrophobicContact CB-CG1 3.89Å; C329-V336 HydrophobicContact CB-CG2 4.29Å; V336-D369 PolarHBondContact N-OD2 3.08Å; V336-D369 PolarHBondContact O-N 3.19Å; V336-C370 PolarHBondContact O-N 2.84Å
337	I	99	Very high	97.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	128	-178	-52.5	167.4	0	0	0	109.1	I63 F253 I280 I302 M303 V304 A339 C370 M372 L477	I63-I337 HydrophobicContact CD1-CB 4.37Å; I63-I337 HydrophobicContact CD1-CD1 3.52Å; I63-I337 HydrophobicContact CD1-CG1 3.83Å; I63-I337 HydrophobicContact CD1-CG2 3.63Å; F253-I337 HydrophobicContact CE1-CD1 3.96Å; F253-I337 HydrophobicContact CZ-CD1 3.95Å; I280-I337 HydrophobicContact CG2-CD1 3.92Å; I302-I337 PolarHBondContact O-N 3.34Å; M303-I337 HydrophobicContact CB-CB 4.16Å; M303-I337 HydrophobicContact CB-CD1 4.39Å; M303-I337 HydrophobicContact CE-CB 4.45Å; M303-I337 HydrophobicContact CE-CD1 3.74Å; M303-I337 HydrophobicContact CE-CG2 4.16Å; M303-I337 HydrophobicContact CG-CB 4.08Å; M303-I337 HydrophobicContact CG-CG2 4.2Å; V304-I337 PolarHBondContact N-O 3.23Å; I337-A339 HydrophobicContact CG2-CB 4.46Å; I337-C370 WeakPolarHBondContact CA-O 3.29Å; I337-C370 HydrophobicContact CB-CB 4.44Å; I337-C370 HydrophobicContact CG1-CB 4.02Å; I337-C370 HydrophobicContact CG2-CB 4.26Å; I337-M372 HydrophobicContact CG2-CB 4.03Å; I337-L477 HydrophobicContact CD1-CD2 4.16Å
338	C	98.9	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	125.8	164.9	-173.3	0	0	0	0	109.2	Q322 M342 A363 A368 C370 V371 M372	Q322-C338 PolarHBondContact OE1-SG 2.9Å; Q322-C338 VanDerWaalsContact OE1-SG 3.35Å; C338-M342 HydrophobicContact CB-CE 4.32Å; C338-A363 HydrophobicContact CB-CB 3.83Å; C338-A368 HydrophobicContact CB-CB 4.19Å; C338-C370 PolarHBondContact N-O 2.79Å; C338-V371 WeakPolarHBondContact O-CA 3.43Å; C338-M372 PolarHBondContact O-N 2.92Å
339	A	98.1	Very high	97.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	163.3	-168.6	0	0	0	0	0	113.5	M303 V304 R306 I337 M372	M303-A339 HydrophobicContact CG-CB 3.69Å; M303-A339 HydrophobicContact SD-CB 3.73Å; V304-A339 PolarHBondContact O-N 3.03Å; R306-A339 WeakPolarHBondContact CG-O 3.39Å; R306-A339 PolarHBondContact NE-O 3.37Å; I337-A339 HydrophobicContact CG2-CB 4.46Å; A339-M372 HydrophobicContact CB-CB 4.06Å; A339-M372 HydrophobicContact CB-CE 3.55Å; A339-M372 HydrophobicContact CB-SD 4.21Å
340	T	94.5	Very high	97.8	Very high	27 Å²	27	35.3 Å²	35.3	17%	0.166	19%	0.188	C	C	.	.	S	Bend	trans	67.6	132.9	173.1	52.9	0	0	0	0	115.7	R306 G307 M342	R306-T340 WeakPolarHBondContact CA-OG1 3.33Å; R306-T340 WeakPolarHBondContact CB-OG1 3.39Å; R306-T340 PolarHBondContact N-OG1 2.8Å; R306-T340 PolarHBondContact NE-O 3.21Å; R306-T340 PolarHBondContact NH2-O 2.75Å; G307-T340 PolarHBondContact N-OG1 3.46Å; T340-M342 VanDerWaalsContact C-N 3.25Å; T340-M342 PolarHBondContact O-N 3.29Å
341	Q	95.9	Very high	97.8	Very high	122 Å²	122	42.7 Å²	42.7	57%	0.57	22%	0.215	S	C	*	.	S	Bend	trans	53.7	32.2	175.5	-61.6	-178.3	-13.5	0	0	115.3	E344	Q341-E344 HydrophobicContact CB-CB 4.1Å; Q341-E344 HydrophobicContact CG-CB 4.29Å; Q341-E344 HydrophobicContact CG-CG 4.19Å
342	M	98.4	Very high	97.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.201	C	C	.	.	S	Bend	trans	-73.2	-36.1	-179.5	-64.5	-158.6	85	0	0	112.2	R306 C338 T340 E356 V360 A363 V371 E376 M390	R306-M342 VanDerWaalsContact NH2-CG 3.35Å; C338-M342 HydrophobicContact CB-CE 4.32Å; T340-M342 VanDerWaalsContact C-N 3.25Å; T340-M342 PolarHBondContact O-N 3.29Å; M342-E356 WeakPolarHBondContact O-CB 3.41Å; M342-V360 HydrophobicContact CB-CG2 3.93Å; M342-V360 HydrophobicContact CE-CB 4.29Å; M342-V360 HydrophobicContact CE-CG2 3.93Å; M342-A363 HydrophobicContact CE-CB 3.72Å; M342-V371 HydrophobicContact CE-CB 4.17Å; M342-V371 HydrophobicContact CE-CG1 3.8Å; M342-V371 HydrophobicContact SD-CB 3.68Å; M342-V371 HydrophobicContact SD-CG1 3.98Å; M342-E376 PolarHBondContact N-OE1 3.01Å; M342-M390 HydrophobicContact CB-CE 3.77Å; M342-M390 HydrophobicContact CG-CE 4.31Å; M342-M390 HydrophobicContact SD-CE 3.75Å
343	L	98.6	Very high	98	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-133.2	35.6	177.8	-64.6	175.3	0	0	0	110.4	S345 M346 P352 E356 V360 L373 E376 T386 T389 M390 I393	L343-S345 VanDerWaalsContact C-N 3.28Å; L343-S345 PolarHBondContact O-N 2.95Å; L343-S345 VanDerWaalsContact O-N 3.08Å; L343-M346 HydrophobicContact CB-CB 4.44Å; L343-M346 HydrophobicContact CB-CG 4.23Å; L343-M346 HydrophobicContact CB-SD 4.22Å; L343-M346 HydrophobicContact CD1-SD 4.18Å; L343-M346 HydrophobicContact CD2-SD 4.38Å; L343-M346 WeakPolarHBondContact O-CA 3.37Å; L343-M346 VanDerWaalsContact O-CB 3.24Å; L343-M346 WeakPolarHBondContact O-CB 3.41Å; L343-M346 PolarHBondContact O-N 3.47Å; L343-P352 HydrophobicContact CD2-CB 3.75Å; L343-P352 HydrophobicContact CD2-CG 4.43Å; L343-E356 HydrophobicContact CD2-CB 4.11Å; L343-V360 HydrophobicContact CD2-CG2 4.05Å; L343-V360 HydrophobicContact CG-CG2 4.13Å; L343-L373 HydrophobicContact CB-CD2 4.2Å; L343-L373 HydrophobicContact CD1-CD2 4.04Å; L343-L373 HydrophobicContact CG-CD2 4.32Å; L343-E376 HydrophobicContact CB-CG 4.3Å; L343-E376 PolarHBondContact N-OE1 2.85Å; L343-E376 VanDerWaalsContact N-OE1 3.12Å; L343-E376 WeakPolarHBondContact O-CG 3.4Å; L343-T386 HydrophobicContact CB-CG2 3.92Å; L343-T386 HydrophobicContact CD1-CG2 3.68Å; L343-T386 HydrophobicContact CG-CG2 4.44Å; L343-T389 HydrophobicContact CD1-CG2 4.31Å; L343-T389 HydrophobicContact CD2-CG2 4.38Å; L343-M390 HydrophobicContact CD1-CB 3.83Å; L343-M390 HydrophobicContact CD1-CE 4.3Å; L343-M390 HydrophobicContact CG-CE 4.49Å; L343-I393 HydrophobicContact CD2-CD1 4.14Å
344	E	98	Very high	98.1	Very high	66 Å²	66	48.3 Å²	48.3	31%	0.308	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-50.8	-40.9	-166.4	-172.2	58	-149.3	0	0	114.1	Q341 M346 T347 E356	Q341-E344 HydrophobicContact CB-CB 4.1Å; Q341-E344 HydrophobicContact CG-CB 4.29Å; Q341-E344 HydrophobicContact CG-CG 4.19Å; E344-M346 PolarHBondContact O-N 3.2Å; E344-M346 VanDerWaalsContact O-N 3.13Å; E344-T347 VanDerWaalsContact O-CB 3.23Å; E344-T347 WeakPolarHBondContact O-CB 3.26Å; E344-T347 PolarHBondContact O-N 3.3Å; E344-T347 PolarHBondContact O-OG1 2.97Å; E344-E356 PolarHBondContact N-OE1 2.87Å
345	S	98.1	Very high	98.1	Very high	18 Å²	18	49.2 Å²	49.2	13%	0.126	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-61.4	-23.4	178.9	77.6	0	0	0	0	113.2	L343 T347 T348 K349 E356	L343-S345 VanDerWaalsContact C-N 3.28Å; L343-S345 PolarHBondContact O-N 2.95Å; L343-S345 VanDerWaalsContact O-N 3.08Å; S345-T347 PolarHBondContact O-N 3.47Å; S345-T348 PolarHBondContact O-N 3.41Å; S345-T348 VanDerWaalsContact O-N 3.15Å; S345-K349 WeakPolarHBondContact O-CB 3.3Å; S345-K349 PolarHBondContact O-N 2.91Å; S345-E356 WeakPolarHBondContact CA-OE1 3.47Å; S345-E356 WeakPolarHBondContact CB-OE1 3.26Å; S345-E356 PolarHBondContact N-OE1 2.71Å; S345-E356 VanDerWaalsContact OG-CD 3.22Å; S345-E356 PolarHBondContact OG-OE1 2.84Å; S345-E356 PolarHBondContact OG-OE2 3.04Å
346	M	98.4	Very high	98.1	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-71	-9.5	176.5	-60.2	-165	65.3	0	0	114	L343 E344 T348 K349 P352 E385 T386 T389	L343-M346 HydrophobicContact CB-CB 4.44Å; L343-M346 HydrophobicContact CB-CG 4.23Å; L343-M346 HydrophobicContact CB-SD 4.22Å; L343-M346 HydrophobicContact CD1-SD 4.18Å; L343-M346 HydrophobicContact CD2-SD 4.38Å; L343-M346 WeakPolarHBondContact O-CA 3.37Å; L343-M346 VanDerWaalsContact O-CB 3.24Å; L343-M346 WeakPolarHBondContact O-CB 3.41Å; L343-M346 PolarHBondContact O-N 3.47Å; E344-M346 PolarHBondContact O-N 3.2Å; E344-M346 VanDerWaalsContact O-N 3.13Å; M346-T348 PolarHBondContact O-N 3.02Å; M346-K349 WeakPolarHBondContact CA-O 3.46Å; M346-P352 HydrophobicContact CG-CB 4.06Å; M346-P352 HydrophobicContact SD-CB 3.92Å; M346-P352 HydrophobicContact SD-CG 4.19Å; M346-E385 HydrophobicContact CE-CB 4.17Å; M346-T386 HydrophobicContact CB-CG2 4.27Å; M346-T386 WeakPolarHBondContact CB-OG1 3.4Å; M346-T386 HydrophobicContact SD-CG2 4.35Å; M346-T389 HydrophobicContact SD-CG2 3.98Å
347	T	98.2	Very high	98	Very high	18 Å²	18	51.9 Å²	51.9	11%	0.11	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56.9	-34.1	166.5	-57.2	0	0	0	0	111.4	E344 S345 K379 G380 L381	E344-T347 VanDerWaalsContact O-CB 3.23Å; E344-T347 WeakPolarHBondContact O-CB 3.26Å; E344-T347 PolarHBondContact O-N 3.3Å; E344-T347 PolarHBondContact O-OG1 2.97Å; S345-T347 PolarHBondContact O-N 3.47Å; T347-K379 HydrophobicContact CG2-CG 4.45Å; T347-G380 WeakPolarHBondContact O-CA 3.45Å; T347-L381 PolarHBondContact O-N 3.19Å
348	T	98.1	Very high	98	Very high	90 Å²	90	54.8 Å²	54.8	55%	0.552	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.1	-13.2	-177.2	58.6	0	0	0	0	114.5	S345 M346	S345-T348 PolarHBondContact O-N 3.41Å; S345-T348 VanDerWaalsContact O-N 3.15Å; M346-T348 PolarHBondContact O-N 3.02Å
349	K	98	Very high	98	Very high	116 Å²	116	56.7 Å²	56.7	50%	0.504	29%	0.294	S	S	.	.	S	Bend	trans	-122.7	146.1	-175.4	-61	173.8	-174	172.1	0	111.1	S345 M346 R351 Y382	S345-K349 WeakPolarHBondContact O-CB 3.3Å; S345-K349 PolarHBondContact O-N 2.91Å; M346-K349 WeakPolarHBondContact CA-O 3.46Å; K349-R351 PolarHBondContact O-N 3Å; K349-R351 VanDerWaalsContact O-N 3.16Å; K349-Y382 VanDerWaalsContact O-CD2 3.3Å; K349-Y382 WeakPolarHBondContact O-CD2 3.43Å
350	P	97.5	Very high	98.1	Very high	69 Å²	69	56.7 Å²	56.7	45%	0.448	29%	0.294	S	S	.	.	S	Bend	trans	-75.2	-2.7	-178.7	29.9	-36	0	0	0	114.1	Y382	P350-Y382 HydrophobicContact CB-CD1 4.06Å; P350-Y382 HydrophobicContact CB-CE1 3.8Å; P350-Y382 HydrophobicContact CB-CE2 4.3Å; P350-Y382 HydrophobicContact CB-CG 4.41Å
351	R	98.3	Very high	98.3	Very high	167 Å²	167	56.5 Å²	56.5	63%	0.63	29%	0.294	S	S	*	.	S	Bend	trans	-140.9	142.9	-174.7	-63.2	-64.9	-66.9	-172.9	-3.2	110.5	K349	K349-R351 PolarHBondContact O-N 3Å; K349-R351 VanDerWaalsContact O-N 3.16Å
352	P	98.3	Very high	98.4	Very high	10 Å²	10	53.8 Å²	53.8	7%	0.065	28%	0.284	C	S	.	.			trans	-76.2	162.7	178.2	35.4	-38.4	0	0	0	111.5	L343 M346 E356 S357 T389	L343-P352 HydrophobicContact CD2-CB 3.75Å; L343-P352 HydrophobicContact CD2-CG 4.43Å; M346-P352 HydrophobicContact CG-CB 4.06Å; M346-P352 HydrophobicContact SD-CB 3.92Å; M346-P352 HydrophobicContact SD-CG 4.19Å; P352-E356 WeakPolarHBondContact CA-OE2 3.37Å; P352-E356 HydrophobicContact CB-CB 4.11Å; P352-E356 WeakPolarHBondContact CB-OE2 3.29Å; P352-S357 WeakPolarHBondContact CG-OG 3.38Å; P352-T389 HydrophobicContact CG-CG2 3.78Å
353	T	98.6	Very high	98.4	Very high	54 Å²	54	53.8 Å²	53.8	33%	0.331	28%	0.284	S	S	.	.			trans	-70.6	167.7	164.6	74.5	0	0	0	0	110.9	A355 E356 S357	T353-A355 VanDerWaalsContact C-N 3.33Å; T353-A355 PolarHBondContact OG1-N 2.88Å; T353-E356 PolarHBondContact N-OE2 3.49Å; T353-E356 VanDerWaalsContact OG1-CG 3.27Å; T353-E356 WeakPolarHBondContact OG1-CG 3.37Å; T353-E356 PolarHBondContact OG1-N 3.46Å; T353-E356 VanDerWaalsContact OG1-N 3.15Å; T353-S357 PolarHBondContact O-N 3.26Å; T353-S357 PolarHBondContact O-OG 2.9Å; T353-S357 VanDerWaalsContact O-OG 3.09Å
354	R	98.3	Very high	98.4	Very high	204 Å²	204	53.8 Å²	53.8	77%	0.77	28%	0.284	S	S	*	.	H	α-helix	trans	-67.1	-37.1	174	-56.3	-60.2	172.7	-86.1	-4	111.6	S357 S358	R354-S357 PolarHBondContact O-N 3.26Å; R354-S358 WeakPolarHBondContact O-CB 3.16Å; R354-S358 PolarHBondContact O-N 2.66Å
355	A	98.6	Very high	98.4	Very high	71 Å²	71	54 Å²	54	59%	0.587	29%	0.287	S	S	*	.	H	α-helix	trans	-62.1	-46.2	177.1	0	0	0	0	0	111.5	T353 S357 S358 D359	T353-A355 VanDerWaalsContact C-N 3.33Å; T353-A355 PolarHBondContact OG1-N 2.88Å; A355-S357 PolarHBondContact O-N 3.35Å; A355-S358 CarbonylContact O-C 3.16Å; A355-S358 WeakPolarHBondContact O-CB 3.41Å; A355-S358 PolarHBondContact O-N 3.22Å; A355-D359 WeakPolarHBondContact O-CB 3.08Å; A355-D359 PolarHBondContact O-N 3.28Å
356	E	98.7	Very high	98.4	Very high	21 Å²	21	55 Å²	55	10%	0.098	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-41.3	177.3	-74.5	166.1	-175.9	0	0	112.6	M342 L343 E344 S345 P352 T353 S358 D359 V360	M342-E356 WeakPolarHBondContact O-CB 3.41Å; L343-E356 HydrophobicContact CD2-CB 4.11Å; E344-E356 PolarHBondContact N-OE1 2.87Å; S345-E356 WeakPolarHBondContact CA-OE1 3.47Å; S345-E356 WeakPolarHBondContact CB-OE1 3.26Å; S345-E356 PolarHBondContact N-OE1 2.71Å; S345-E356 VanDerWaalsContact OG-CD 3.22Å; S345-E356 PolarHBondContact OG-OE1 2.84Å; S345-E356 PolarHBondContact OG-OE2 3.04Å; P352-E356 WeakPolarHBondContact CA-OE2 3.37Å; P352-E356 HydrophobicContact CB-CB 4.11Å; P352-E356 WeakPolarHBondContact CB-OE2 3.29Å; T353-E356 PolarHBondContact N-OE2 3.49Å; T353-E356 VanDerWaalsContact OG1-CG 3.27Å; T353-E356 WeakPolarHBondContact OG1-CG 3.37Å; T353-E356 PolarHBondContact OG1-N 3.46Å; T353-E356 VanDerWaalsContact OG1-N 3.15Å; E356-S358 VanDerWaalsContact C-N 3.34Å; E356-S358 PolarHBondContact O-N 2.93Å; E356-D359 PolarHBondContact O-N 3.41Å; E356-V360 PolarHBondContact O-N 2.81Å; E356-V360 VanDerWaalsContact O-N 3.1Å
357	S	98.4	Very high	98.5	Very high	35 Å²	35	55.1 Å²	55.1	25%	0.245	29%	0.291	C	S	.	.	H	α-helix	trans	-64.1	-42	175.6	-55.9	0	0	0	0	111.6	P352 T353 R354 A355 D359 A361	P352-S357 WeakPolarHBondContact CG-OG 3.38Å; T353-S357 PolarHBondContact O-N 3.26Å; T353-S357 PolarHBondContact O-OG 2.9Å; T353-S357 VanDerWaalsContact O-OG 3.09Å; R354-S357 PolarHBondContact O-N 3.26Å; A355-S357 PolarHBondContact O-N 3.35Å; S357-D359 VanDerWaalsContact C-N 3.35Å; S357-A361 WeakPolarHBondContact O-CB 3.39Å; S357-A361 PolarHBondContact O-N 3.11Å; S357-A361 VanDerWaalsContact O-N 3.17Å
358	S	98.7	Very high	98.5	Very high	63 Å²	63	54.2 Å²	54.2	44%	0.441	29%	0.286	S	S	.	.	H	α-helix	trans	-65	-38.1	175.1	-177.1	0	0	0	0	112	R354 A355 E356 A361 N362	R354-S358 WeakPolarHBondContact O-CB 3.16Å; R354-S358 PolarHBondContact O-N 2.66Å; A355-S358 CarbonylContact O-C 3.16Å; A355-S358 WeakPolarHBondContact O-CB 3.41Å; A355-S358 PolarHBondContact O-N 3.22Å; E356-S358 VanDerWaalsContact C-N 3.34Å; E356-S358 PolarHBondContact O-N 2.93Å; S358-A361 PolarHBondContact O-N 2.86Å; S358-N362 WeakPolarHBondContact O-CB 3.08Å; S358-N362 PolarHBondContact O-N 3.37Å; S358-N362 PolarHBondContact O-ND2 3.44Å; S358-N362 PolarHBondContact OG-ND2 3.14Å
359	D	98.8	Very high	98.5	Very high	40 Å²	40	50.2 Å²	50.2	21%	0.214	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-51.4	-179.8	-178.8	48.8	0	0	0	111.6	R306 A355 E356 S357 A361 N362 A363	R306-D359 IonicContact CZ-OD1 2.66Å; R306-D359 IonicContact CZ-OD2 2.74Å; R306-D359 VanDerWaalsContact CZ-OD2 3.29Å; R306-D359 IonicContact NH1-OD1 3.14Å; R306-D359 PolarHBondContact NH1-OD1 2.89Å; R306-D359 IonicContact NH1-OD2 3.45Å; R306-D359 PolarHBondContact NH1-OD2 3.33Å; R306-D359 IonicContact NH2-OD1 3.27Å; R306-D359 IonicContact NH2-OD2 3.26Å; R306-D359 PolarHBondContact NH2-OD2 2.8Å; A355-D359 WeakPolarHBondContact O-CB 3.08Å; A355-D359 PolarHBondContact O-N 3.28Å; E356-D359 PolarHBondContact O-N 3.41Å; S357-D359 VanDerWaalsContact C-N 3.35Å; D359-A361 VanDerWaalsContact C-N 3.32Å; D359-A361 PolarHBondContact O-N 3.21Å; D359-N362 PolarHBondContact O-N 3.38Å; D359-A363 PolarHBondContact O-N 3.47Å
360	V	98.8	Very high	98.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-58.4	-45	175.2	177.8	0	0	0	0	111	M342 L343 E356 N362 A363 V364 M390 I393	M342-V360 HydrophobicContact CB-CG2 3.93Å; M342-V360 HydrophobicContact CE-CB 4.29Å; M342-V360 HydrophobicContact CE-CG2 3.93Å; L343-V360 HydrophobicContact CD2-CG2 4.05Å; L343-V360 HydrophobicContact CG-CG2 4.13Å; E356-V360 PolarHBondContact O-N 2.81Å; E356-V360 VanDerWaalsContact O-N 3.1Å; V360-N362 PolarHBondContact O-N 2.63Å; V360-A363 PolarHBondContact O-N 3.26Å; V360-V364 WeakPolarHBondContact O-CG2 3.42Å; V360-V364 PolarHBondContact O-N 2.87Å; V360-M390 HydrophobicContact CG1-CE 4.48Å; V360-M390 HydrophobicContact CG1-CG 4.26Å; V360-M390 HydrophobicContact CG2-CE 3.94Å; V360-I393 HydrophobicContact CB-CB 4.4Å; V360-I393 HydrophobicContact CB-CD1 4.33Å; V360-I393 HydrophobicContact CB-CG2 3.79Å; V360-I393 HydrophobicContact CG1-CB 3.96Å; V360-I393 HydrophobicContact CG1-CG2 3.64Å
361	A	98.7	Very high	98.6	Very high	22 Å²	22	41.4 Å²	41.4	18%	0.182	22%	0.216	C	C	.	.	H	α-helix	trans	-61.9	-45.5	179.2	0	0	0	0	0	111.9	S357 S358 D359 V364 L365 I393 A397	S357-A361 WeakPolarHBondContact O-CB 3.39Å; S357-A361 PolarHBondContact O-N 3.11Å; S357-A361 VanDerWaalsContact O-N 3.17Å; S358-A361 PolarHBondContact O-N 2.86Å; D359-A361 VanDerWaalsContact C-N 3.32Å; D359-A361 PolarHBondContact O-N 3.21Å; A361-V364 PolarHBondContact O-N 3.12Å; A361-L365 VanDerWaalsContact O-CG 3.29Å; A361-L365 WeakPolarHBondContact O-CG 3.48Å; A361-L365 PolarHBondContact O-N 3.28Å; A361-I393 HydrophobicContact CB-CG2 3.89Å; A361-A397 HydrophobicContact CB-CB 4.06Å
362	N	98.8	Very high	98.7	Very high	65 Å²	65	33.5 Å²	33.5	35%	0.348	19%	0.186	S	C	.	.	H	α-helix	trans	-69	-34.6	179.9	-80.9	-77.1	0	0	0	112.8	S358 D359 V360 V364 L365 D366	S358-N362 WeakPolarHBondContact O-CB 3.08Å; S358-N362 PolarHBondContact O-N 3.37Å; S358-N362 PolarHBondContact O-ND2 3.44Å; S358-N362 PolarHBondContact OG-ND2 3.14Å; D359-N362 PolarHBondContact O-N 3.38Å; V360-N362 PolarHBondContact O-N 2.63Å; N362-V364 VanDerWaalsContact C-N 3.28Å; N362-V364 PolarHBondContact O-N 2.77Å; N362-L365 PolarHBondContact O-N 2.79Å; N362-D366 VanDerWaalsContact O-CB 3.3Å; N362-D366 WeakPolarHBondContact O-CB 3.47Å; N362-D366 PolarHBondContact O-N 2.87Å
363	A	98.8	Very high	98.7	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-59.6	-40.8	172.9	0	0	0	0	0	111.6	C338 M342 D359 V360 G367 A368 V371	C338-A363 HydrophobicContact CB-CB 3.83Å; M342-A363 HydrophobicContact CE-CB 3.72Å; D359-A363 PolarHBondContact O-N 3.47Å; V360-A363 PolarHBondContact O-N 3.26Å; A363-G367 PolarHBondContact O-N 3.21Å; A363-A368 WeakPolarHBondContact O-CB 3.41Å; A363-A368 PolarHBondContact O-N 3.09Å; A363-V371 HydrophobicContact CB-CG1 4.32Å
364	V	98.6	Very high	98.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68	-44.6	175	174.8	0	0	0	0	111.6	T60 V360 A361 N362 D366 G367 V371 C394 A397 E398	T60-V364 HydrophobicContact CG2-CG2 4.06Å; V360-V364 WeakPolarHBondContact O-CG2 3.42Å; V360-V364 PolarHBondContact O-N 2.87Å; A361-V364 PolarHBondContact O-N 3.12Å; N362-V364 VanDerWaalsContact C-N 3.28Å; N362-V364 PolarHBondContact O-N 2.77Å; V364-D366 VanDerWaalsContact C-N 3.33Å; V364-D366 PolarHBondContact O-N 3.47Å; V364-G367 WeakPolarHBondContact O-CA 3.38Å; V364-G367 PolarHBondContact O-N 3Å; V364-V371 HydrophobicContact CG2-CG1 4.32Å; V364-C394 HydrophobicContact CG2-CB 4.41Å; V364-A397 HydrophobicContact CB-CB 3.77Å; V364-A397 HydrophobicContact CG1-CB 3.75Å; V364-A397 HydrophobicContact CG2-CB 4.46Å; V364-E398 HydrophobicContact CG1-CG 3.78Å
365	L	98.3	Very high	98.5	Very high	71 Å²	71	22.3 Å²	22.3	37%	0.372	14%	0.144	S	C	.	.	H	α-helix	trans	-65.2	-34.6	178.8	-68.9	170.5	0	0	0	112.8	A361 N362 G367 A397 A400 M401	A361-L365 VanDerWaalsContact O-CG 3.29Å; A361-L365 WeakPolarHBondContact O-CG 3.48Å; A361-L365 PolarHBondContact O-N 3.28Å; N362-L365 PolarHBondContact O-N 2.79Å; L365-G367 PolarHBondContact O-N 3.14Å; L365-A397 WeakPolarHBondContact CD2-O 3.29Å; L365-A397 HydrophobicContact CG-CB 4.42Å; L365-A400 HydrophobicContact CD2-CB 4.26Å; L365-M401 HydrophobicContact CD2-CG 3.88Å
366	D	98.6	Very high	98.5	Very high	40 Å²	40	19 Å²	19	21%	0.214	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-21	171.2	-74	-21.4	0	0	0	111.6	Q322 K323 I326 N330 N362 V364	Q322-D366 PolarHBondContact NE2-OD2 3.22Å; K323-D366 WeakPolarHBondContact CG-OD2 3.19Å; K323-D366 IonicContact NZ-OD1 2.72Å; K323-D366 PolarHBondContact NZ-OD1 3.33Å; K323-D366 IonicContact NZ-OD2 3.18Å; K323-D366 PolarHBondContact NZ-OD2 2.7Å; I326-D366 HydrophobicContact CD1-CB 3.91Å; I326-D366 HydrophobicContact CG2-CB 4.29Å; I326-D366 WeakPolarHBondContact CG2-O 3.19Å; N330-D366 PolarHBondContact ND2-O 2.63Å; N362-D366 VanDerWaalsContact O-CB 3.3Å; N362-D366 WeakPolarHBondContact O-CB 3.47Å; N362-D366 PolarHBondContact O-N 2.87Å; V364-D366 VanDerWaalsContact C-N 3.33Å; V364-D366 PolarHBondContact O-N 3.47Å
367	G	98.5	Very high	98.5	Very high	1 Å²	1	18 Å²	18	1%	0.01	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	31.6	177.5	0	0	0	0	0	113.3	I326 N330 A363 V364 L365 R457	I326-G367 VanDerWaalsContact CG2-C 3.45Å; N330-G367 PolarHBondContact ND2-O 3.32Å; N330-G367 PolarHBondContact OD1-O 2.91Å; N330-G367 VanDerWaalsContact OD1-O 3.14Å; A363-G367 PolarHBondContact O-N 3.21Å; V364-G367 WeakPolarHBondContact O-CA 3.38Å; V364-G367 PolarHBondContact O-N 3Å; L365-G367 PolarHBondContact O-N 3.14Å; G367-R457 PolarHBondContact O-NH2 3.28Å
368	A	98.8	Very high	98.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.106	C	C	.	.			trans	-61.6	137.3	168.8	0	0	0	0	0	110.9	I326 C338 A363	I326-A368 HydrophobicContact CD1-CB 4.13Å; C338-A368 HydrophobicContact CB-CB 4.19Å; A363-A368 WeakPolarHBondContact O-CB 3.41Å; A363-A368 PolarHBondContact O-N 3.09Å
369	D	98.9	Very high	98.4	Very high	5 Å²	5	21.3 Å²	21.3	3%	0.027	12%	0.117	C	C	.	.	S	Bend	trans	-76.1	-37.3	174.9	-70.2	-83.8	0	0	0	111.9	T60 G61 P335 V336 R457 L477 R479	T60-D369 CarbonylContact C-O 3.59Å; T60-D369 WeakPolarHBondContact CA-O 3.47Å; T60-D369 WeakPolarHBondContact CG2-O 3.36Å; G61-D369 PolarHBondContact N-O 3.38Å; P335-D369 WeakPolarHBondContact CA-OD2 3.42Å; P335-D369 HydrophobicContact CB-CB 4.41Å; V336-D369 PolarHBondContact N-OD2 3.08Å; V336-D369 PolarHBondContact O-N 3.19Å; D369-R457 IonicContact OD1-CZ 2.83Å; D369-R457 IonicContact OD1-NH1 3.25Å; D369-R457 PolarHBondContact OD1-NH1 2.92Å; D369-R457 IonicContact OD1-NH2 3.14Å; D369-R457 PolarHBondContact OD1-NH2 3.07Å; D369-R457 IonicContact OD2-CZ 3.21Å; D369-R457 IonicContact OD2-NH1 3.96Å; D369-R457 IonicContact OD2-NH2 3.96Å; D369-R457 PolarHBondContact OD2-NH2 3.25Å; D369-L477 WeakPolarHBondContact CB-O 3.5Å; D369-R479 HydrophobicContact CB-CB 4.39Å; D369-R479 VanDerWaalsContact OD1-CB 3.29Å; D369-R479 WeakPolarHBondContact OD1-CB 3.43Å; D369-R479 PolarHBondContact OD1-N 3.41Å
370	C	99	Very high	98.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	152.9	178.2	-64.9	0	0	0	0	111.7	G61 I63 V336 I337 C338 H476	G61-C370 CarbonylContact O-C 3.49Å; G61-C370 WeakPolarHBondContact O-CA 3.49Å; I63-C370 HydrophobicContact CD1-CB 3.76Å; I63-C370 HydrophobicContact CG1-CB 4.12Å; V336-C370 PolarHBondContact O-N 2.84Å; I337-C370 WeakPolarHBondContact CA-O 3.29Å; I337-C370 HydrophobicContact CB-CB 4.44Å; I337-C370 HydrophobicContact CG1-CB 4.02Å; I337-C370 HydrophobicContact CG2-CB 4.26Å; C338-C370 PolarHBondContact N-O 2.79Å; C370-H476 PolarHBondContact SG-O 2.82Å
371	V	98.9	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	148.2	168.4	-70.3	0	0	0	0	109.2	T60 G61 I62 I63 C338 M342 A363 V364 M390	T60-V371 HydrophobicContact CG2-CG1 4.24Å; T60-V371 HydrophobicContact CG2-CG2 4.12Å; G61-V371 PolarHBondContact O-N 3.46Å; I62-V371 HydrophobicContact CG1-CG2 3.96Å; I63-V371 PolarHBondContact N-O 2.92Å; C338-V371 WeakPolarHBondContact O-CA 3.43Å; M342-V371 HydrophobicContact CE-CB 4.17Å; M342-V371 HydrophobicContact CE-CG1 3.8Å; M342-V371 HydrophobicContact SD-CB 3.68Å; M342-V371 HydrophobicContact SD-CG1 3.98Å; A363-V371 HydrophobicContact CB-CG1 4.32Å; V364-V371 HydrophobicContact CG2-CG1 4.32Å; V371-M390 HydrophobicContact CB-CE 3.97Å; V371-M390 HydrophobicContact CB-SD 3.97Å; V371-M390 HydrophobicContact CG2-CE 4Å; V371-M390 HydrophobicContact CG2-CG 3.66Å; V371-M390 HydrophobicContact CG2-SD 3.4Å; V371-M390 WeakPolarHBondContact CG2-SD 3.37Å
372	M	98.9	Very high	98.3	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.01	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	135.4	-170.9	-173.5	175.2	95.5	0	0	113.8	I63 R88 F253 M303 I337 C338 A339	I63-M372 HydrophobicContact CB-CB 3.99Å; I63-M372 HydrophobicContact CB-CG 3.79Å; I63-M372 HydrophobicContact CB-SD 4.47Å; I63-M372 HydrophobicContact CG2-CB 4.47Å; I63-M372 HydrophobicContact CG2-CG 3.76Å; I63-M372 HydrophobicContact CG2-SD 3.97Å; I63-M372 WeakPolarHBondContact O-CA 3.39Å; R88-M372 WeakPolarHBondContact CD-SD 3.26Å; F253-M372 HydrophobicContact CE2-SD 4.33Å; M303-M372 HydrophobicContact CE-CE 4.19Å; M303-M372 HydrophobicContact CE-SD 3.53Å; M303-M372 VanDerWaalsContact CE-SD 3.53Å; M303-M372 HydrophobicContact SD-CE 3.9Å; M303-M372 HydrophobicContact SD-SD 4.04Å; I337-M372 HydrophobicContact CG2-CB 4.03Å; C338-M372 PolarHBondContact O-N 2.92Å; A339-M372 HydrophobicContact CB-CB 4.06Å; A339-M372 HydrophobicContact CB-CE 3.55Å; A339-M372 HydrophobicContact CB-SD 4.21Å
373	L	98.8	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.8	171	-59.3	170.7	0	0	0	110.6	I63 T65 L343 E376 T377 T386 V387 M390	I63-L373 PolarHBondContact O-N 3.36Å; T65-L373 WeakPolarHBondContact CB-O 3.19Å; T65-L373 PolarHBondContact N-O 3.24Å; T65-L373 PolarHBondContact OG1-O 2.89Å; L343-L373 HydrophobicContact CB-CD2 4.2Å; L343-L373 HydrophobicContact CD1-CD2 4.04Å; L343-L373 HydrophobicContact CG-CD2 4.32Å; L373-E376 HydrophobicContact CD2-CB 4.36Å; L373-E376 HydrophobicContact CD2-CG 4.35Å; L373-T377 HydrophobicContact CB-CG2 3.75Å; L373-T377 HydrophobicContact CD1-CG2 3.6Å; L373-T377 HydrophobicContact CG-CG2 4.3Å; L373-T386 HydrophobicContact CD1-CG2 3.65Å; L373-T386 HydrophobicContact CD2-CG2 3.61Å; L373-T386 HydrophobicContact CG-CG2 4.23Å; L373-V387 HydrophobicContact CD1-CG2 3.95Å; L373-M390 HydrophobicContact CD1-SD 4Å; L373-M390 HydrophobicContact CD2-CE 3.43Å; L373-M390 VanDerWaalsContact CD2-CE 3.43Å; L373-M390 HydrophobicContact CD2-SD 3.84Å; L373-M390 HydrophobicContact CG-CE 3.9Å; L373-M390 HydrophobicContact CG-SD 3.66Å
374	S	97.7	Very high	98.2	Very high	20 Å²	20	26.5 Å²	26.5	14%	0.14	14%	0.137	C	C	.	.	S	Bend	trans	-113	-97.4	-176.7	-69.9	0	0	0	0	111.1	T65 E376 A378	T65-S374 WeakPolarHBondContact OG1-CA 3.42Å; S374-E376 VanDerWaalsContact C-OE2 3.28Å; S374-E376 WeakPolarHBondContact CA-OE2 3.49Å; S374-E376 PolarHBondContact N-OE2 3.28Å; S374-E376 PolarHBondContact O-N 3.39Å; S374-A378 VanDerWaalsContact O-CB 3.26Å; S374-A378 WeakPolarHBondContact O-CB 3.25Å; S374-A378 PolarHBondContact O-N 3.17Å; S374-A378 VanDerWaalsContact O-N 3.16Å
375	G	96	Very high	98.2	Very high	13 Å²	13	30 Å²	30	13%	0.134	15%	0.154	C	C	.	.	H	α-helix	trans	-65.7	-30.2	-178.9	0	0	0	0	0	112.3	T377 A378 K379 G380	G375-T377 VanDerWaalsContact C-N 3.28Å; G375-T377 PolarHBondContact O-N 3.3Å; G375-A378 PolarHBondContact O-N 2.97Å; G375-K379 VanDerWaalsContact O-CG 3.3Å; G375-K379 WeakPolarHBondContact O-CG 3.4Å; G375-K379 PolarHBondContact O-N 3.36Å; G375-G380 PolarHBondContact O-N 3.42Å
376	E	98.4	Very high	98.2	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-58.4	-40	-176	-50.4	93.4	135.2	0	0	112	M342 L343 L373 S374 G380 T386	M342-E376 PolarHBondContact N-OE1 3.01Å; L343-E376 HydrophobicContact CB-CG 4.3Å; L343-E376 PolarHBondContact N-OE1 2.85Å; L343-E376 VanDerWaalsContact N-OE1 3.12Å; L343-E376 WeakPolarHBondContact O-CG 3.4Å; L373-E376 HydrophobicContact CD2-CB 4.36Å; L373-E376 HydrophobicContact CD2-CG 4.35Å; S374-E376 VanDerWaalsContact C-OE2 3.28Å; S374-E376 WeakPolarHBondContact CA-OE2 3.49Å; S374-E376 PolarHBondContact N-OE2 3.28Å; S374-E376 PolarHBondContact O-N 3.39Å; E376-G380 WeakPolarHBondContact O-CA 3.36Å; E376-T386 HydrophobicContact CB-CG2 3.68Å; E376-T386 HydrophobicContact CG-CG2 4.28Å
377	T	98.5	Very high	98.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-97.5	-31.7	177.6	56.6	0	0	0	0	113.3	C64 T65 C70 M79 L373 G375 V387	C64-T377 HydrophobicContact CB-CG2 4.14Å; T65-T377 PolarHBondContact N-OG1 3.07Å; T65-T377 CarbonylContact O-C 3.5Å; T65-T377 PolarHBondContact O-OG1 3.17Å; C70-T377 PolarHBondContact SG-O 3.4Å; M79-T377 HydrophobicContact CE-CG2 3.74Å; L373-T377 HydrophobicContact CB-CG2 3.75Å; L373-T377 HydrophobicContact CD1-CG2 3.6Å; L373-T377 HydrophobicContact CG-CG2 4.3Å; G375-T377 VanDerWaalsContact C-N 3.28Å; G375-T377 PolarHBondContact O-N 3.3Å; T377-V387 HydrophobicContact CG2-CG2 3.98Å
378	A	97.8	Very high	98.2	Very high	17 Å²	17	27.8 Å²	27.8	14%	0.14	14%	0.14	C	C	.	.	H	α-helix	trans	-74	-40.1	-174.6	0	0	0	0	0	112.9	T65 G67 P68 A69 S374 G375	T65-A378 HydrophobicContact CG2-CB 3.9Å; T65-A378 PolarHBondContact O-N 2.96Å; G67-A378 CarbonylContact C-O 3.54Å; G67-A378 VanDerWaalsContact CA-O 3.28Å; G67-A378 WeakPolarHBondContact CA-O 3.11Å; P68-A378 VanDerWaalsContact CD-O 3.31Å; P68-A378 WeakPolarHBondContact CD-O 3.47Å; P68-A378 VanDerWaalsContact N-O 3.14Å; A69-A378 PolarHBondContact N-O 3.26Å; A69-A378 VanDerWaalsContact N-O 3.09Å; S374-A378 VanDerWaalsContact O-CB 3.26Å; S374-A378 WeakPolarHBondContact O-CB 3.25Å; S374-A378 PolarHBondContact O-N 3.17Å; S374-A378 VanDerWaalsContact O-N 3.16Å; G375-A378 PolarHBondContact O-N 2.97Å
379	K	96.9	Very high	98.2	Very high	151 Å²	151	28.1 Å²	28.1	66%	0.657	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.3	-5.2	-174.4	65.3	176.8	-178.1	-177.1	0	114.1	T347 G375	T347-K379 HydrophobicContact CG2-CG 4.45Å; G375-K379 VanDerWaalsContact O-CG 3.3Å; G375-K379 WeakPolarHBondContact O-CG 3.4Å; G375-K379 PolarHBondContact O-N 3.36Å
380	G	97	Very high	98.2	Very high	4 Å²	4	27.9 Å²	27.9	4%	0.041	14%	0.141	C	C	.	.			trans	-70.7	158.1	-176.8	0	0	0	0	0	113.9	A69 T347 G375 E376 Y382	A69-G380 VanDerWaalsContact CB-O 3.3Å; A69-G380 WeakPolarHBondContact CB-O 3.27Å; T347-G380 WeakPolarHBondContact O-CA 3.45Å; G375-G380 PolarHBondContact O-N 3.42Å; E376-G380 WeakPolarHBondContact O-CA 3.36Å; G380-Y382 VanDerWaalsContact C-N 3.33Å
381	L	98.2	Very high	98.2	Very high	124 Å²	124	30.1 Å²	30.1	65%	0.649	15%	0.151	S	C	*	.	S	Bend	trans	-76	-21.1	178	-62.6	178.1	0	0	0	113.1	T347 P383	T347-L381 PolarHBondContact O-N 3.19Å; L381-P383 WeakPolarHBondContact O-CD 3.47Å
382	Y	98.3	Very high	98.1	Very high	66 Å²	66	35.5 Å²	35.5	26%	0.259	17%	0.171	S	C	.	.			trans	-126.3	52.7	-173	-55.8	-78.3	0	0	0	112.5	K349 P350 G380 L384 E385 T386	K349-Y382 VanDerWaalsContact O-CD2 3.3Å; K349-Y382 WeakPolarHBondContact O-CD2 3.43Å; P350-Y382 HydrophobicContact CB-CD1 4.06Å; P350-Y382 HydrophobicContact CB-CE1 3.8Å; P350-Y382 HydrophobicContact CB-CE2 4.3Å; P350-Y382 HydrophobicContact CB-CG 4.41Å; G380-Y382 VanDerWaalsContact C-N 3.33Å; Y382-L384 VanDerWaalsContact C-N 3.29Å; Y382-L384 PolarHBondContact O-N 3.36Å; Y382-E385 WeakPolarHBondContact CA-OE2 3.5Å; Y382-T386 WeakPolarHBondContact O-CB 3.44Å; Y382-T386 PolarHBondContact O-N 3.31Å; Y382-T386 PolarHBondContact O-OG1 3.41Å
383	P	98.2	Very high	98	Very high	7 Å²	7	36.6 Å²	36.6	5%	0.045	18%	0.177	C	C	.	.	H	α-helix	trans	-61.2	-38.8	-174.2	26	-34.7	0	0	0	111.8	A69 C70 M75 L381 V387	A69-P383 HydrophobicContact CB-CG 4.49Å; C70-P383 HydrophobicContact CB-CB 4.42Å; M75-P383 HydrophobicContact CE-CG 4.35Å; M75-P383 HydrophobicContact SD-CG 4.33Å; L381-P383 WeakPolarHBondContact O-CD 3.47Å; P383-V387 WeakPolarHBondContact O-CG2 3.35Å; P383-V387 PolarHBondContact O-N 3.37Å
384	L	98.4	Very high	98	Very high	35 Å²	35	36.6 Å²	36.6	18%	0.183	18%	0.177	C	C	.	.	H	α-helix	trans	-70.8	-49.2	-178.1	-176.4	60.6	0	0	0	111.8	M75 N78 S82 Y382 T386 V387 Q388	M75-L384 HydrophobicContact SD-CB 4.22Å; N78-L384 HydrophobicContact CB-CD1 3.81Å; N78-L384 HydrophobicContact CB-CD2 4.18Å; N78-L384 WeakPolarHBondContact O-CD1 3.28Å; S82-L384 WeakPolarHBondContact OG-CD1 3.48Å; Y382-L384 VanDerWaalsContact C-N 3.29Å; Y382-L384 PolarHBondContact O-N 3.36Å; L384-T386 PolarHBondContact O-N 3.07Å; L384-V387 PolarHBondContact O-N 2.9Å; L384-Q388 WeakPolarHBondContact O-CG 3.22Å; L384-Q388 PolarHBondContact O-N 3.09Å
385	E	98.5	Very high	98	Very high	75 Å²	75	36.6 Å²	36.6	35%	0.35	18%	0.175	S	C	.	.	H	α-helix	trans	-63.1	-33	179.4	-63.3	81	173.6	0	0	111.3	M346 Y382 T389	M346-E385 HydrophobicContact CE-CB 4.17Å; Y382-E385 WeakPolarHBondContact CA-OE2 3.5Å; E385-T389 VanDerWaalsContact O-CB 3.22Å; E385-T389 WeakPolarHBondContact O-CB 3.48Å; E385-T389 PolarHBondContact O-N 2.82Å; E385-T389 PolarHBondContact O-OG1 2.97Å
386	T	98.6	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-64	-49.5	174.5	-56	0	0	0	0	110.7	L343 M346 L373 E376 Y382 L384 Q388 T389 M390	L343-T386 HydrophobicContact CB-CG2 3.92Å; L343-T386 HydrophobicContact CD1-CG2 3.68Å; L343-T386 HydrophobicContact CG-CG2 4.44Å; M346-T386 HydrophobicContact CB-CG2 4.27Å; M346-T386 WeakPolarHBondContact CB-OG1 3.4Å; M346-T386 HydrophobicContact SD-CG2 4.35Å; L373-T386 HydrophobicContact CD1-CG2 3.65Å; L373-T386 HydrophobicContact CD2-CG2 3.61Å; L373-T386 HydrophobicContact CG-CG2 4.23Å; E376-T386 HydrophobicContact CB-CG2 3.68Å; E376-T386 HydrophobicContact CG-CG2 4.28Å; Y382-T386 WeakPolarHBondContact O-CB 3.44Å; Y382-T386 PolarHBondContact O-N 3.31Å; Y382-T386 PolarHBondContact O-OG1 3.41Å; L384-T386 PolarHBondContact O-N 3.07Å; T386-Q388 VanDerWaalsContact C-N 3.34Å; T386-Q388 PolarHBondContact O-N 3.45Å; T386-T389 PolarHBondContact O-N 2.91Å; T386-M390 PolarHBondContact O-N 3.35Å
387	V	98.6	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59	-45.7	176.4	175	0	0	0	0	111.1	C64 M79 L373 T377 P383 L384 T389 M390 H391	C64-V387 VanDerWaalsContact SG-CG2 3.54Å; M79-V387 HydrophobicContact CE-CG2 3.71Å; M79-V387 HydrophobicContact CG-CG2 4.47Å; L373-V387 HydrophobicContact CD1-CG2 3.95Å; T377-V387 HydrophobicContact CG2-CG2 3.98Å; P383-V387 WeakPolarHBondContact O-CG2 3.35Å; P383-V387 PolarHBondContact O-N 3.37Å; L384-V387 PolarHBondContact O-N 2.9Å; V387-T389 VanDerWaalsContact C-N 3.31Å; V387-T389 PolarHBondContact O-N 2.77Å; V387-M390 PolarHBondContact O-N 3.13Å; V387-H391 WeakPolarHBondContact O-CB 3.37Å; V387-H391 PolarHBondContact O-N 3.43Å
388	Q	98.4	Very high	97.9	Very high	64 Å²	64	41.2 Å²	41.2	30%	0.299	19%	0.194	S	C	.	.	H	α-helix	trans	-63.7	-37.1	178.2	-68.2	174.9	-5.6	0	0	112.5	S82 L384 T386 R392	S82-Q388 PolarHBondContact OG-NE2 2.95Å; L384-Q388 WeakPolarHBondContact O-CG 3.22Å; L384-Q388 PolarHBondContact O-N 3.09Å; T386-Q388 VanDerWaalsContact C-N 3.34Å; T386-Q388 PolarHBondContact O-N 3.45Å; Q388-R392 WeakPolarHBondContact O-CG 3.17Å; Q388-R392 PolarHBondContact O-N 3.27Å
389	T	98.5	Very high	97.7	Very high	7 Å²	7	41.4 Å²	41.4	4%	0.043	20%	0.196	C	C	.	.	H	α-helix	trans	-67.7	-46.6	177.3	-63.7	0	0	0	0	111	L343 M346 P352 E385 T386 V387 H391 R392 I393	L343-T389 HydrophobicContact CD1-CG2 4.31Å; L343-T389 HydrophobicContact CD2-CG2 4.38Å; M346-T389 HydrophobicContact SD-CG2 3.98Å; P352-T389 HydrophobicContact CG-CG2 3.78Å; E385-T389 VanDerWaalsContact O-CB 3.22Å; E385-T389 WeakPolarHBondContact O-CB 3.48Å; E385-T389 PolarHBondContact O-N 2.82Å; E385-T389 PolarHBondContact O-OG1 2.97Å; T386-T389 PolarHBondContact O-N 2.91Å; V387-T389 VanDerWaalsContact C-N 3.31Å; V387-T389 PolarHBondContact O-N 2.77Å; T389-H391 VanDerWaalsContact C-N 3.32Å; T389-H391 PolarHBondContact O-N 2.75Å; T389-R392 PolarHBondContact O-N 2.74Å; T389-R392 PolarHBondContact OG1-NH2 2.93Å; T389-I393 HydrophobicContact CG2-CD1 3.79Å; T389-I393 WeakPolarHBondContact O-CG1 3.37Å; T389-I393 PolarHBondContact O-N 3.3Å
390	M	98.7	Very high	97.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-58.1	-45.6	174.1	-174.4	164.7	-94.8	0	0	111.2	I62 M342 L343 V360 V371 L373 T386 V387 R392 I393 C394	I62-M390 HydrophobicContact CD1-CB 4.03Å; I62-M390 HydrophobicContact CD1-CG 3.77Å; I62-M390 HydrophobicContact CD1-SD 4.43Å; I62-M390 HydrophobicContact CG1-CG 3.93Å; I62-M390 HydrophobicContact CG1-SD 4.09Å; I62-M390 HydrophobicContact CG2-SD 3.99Å; M342-M390 HydrophobicContact CB-CE 3.77Å; M342-M390 HydrophobicContact CG-CE 4.31Å; M342-M390 HydrophobicContact SD-CE 3.75Å; L343-M390 HydrophobicContact CD1-CB 3.83Å; L343-M390 HydrophobicContact CD1-CE 4.3Å; L343-M390 HydrophobicContact CG-CE 4.49Å; V360-M390 HydrophobicContact CG1-CE 4.48Å; V360-M390 HydrophobicContact CG1-CG 4.26Å; V360-M390 HydrophobicContact CG2-CE 3.94Å; V371-M390 HydrophobicContact CB-CE 3.97Å; V371-M390 HydrophobicContact CB-SD 3.97Å; V371-M390 HydrophobicContact CG2-CE 4Å; V371-M390 HydrophobicContact CG2-CG 3.66Å; V371-M390 HydrophobicContact CG2-SD 3.4Å; V371-M390 WeakPolarHBondContact CG2-SD 3.37Å; L373-M390 HydrophobicContact CD1-SD 4Å; L373-M390 HydrophobicContact CD2-CE 3.43Å; L373-M390 VanDerWaalsContact CD2-CE 3.43Å; L373-M390 HydrophobicContact CD2-SD 3.84Å; L373-M390 HydrophobicContact CG-CE 3.9Å; L373-M390 HydrophobicContact CG-SD 3.66Å; T386-M390 PolarHBondContact O-N 3.35Å; V387-M390 PolarHBondContact O-N 3.13Å; M390-R392 PolarHBondContact O-N 3.01Å; M390-I393 PolarHBondContact O-N 3.49Å; M390-C394 WeakPolarHBondContact O-CB 3.5Å; M390-C394 PolarHBondContact O-N 3.4Å; M390-C394 PolarHBondContact O-SG 3.33Å
391	H	98.2	Very high	97.4	Very high	47 Å²	47	35.8 Å²	35.8	22%	0.218	18%	0.175	C	C	.	.	H	α-helix	trans	-55.6	-49	175.5	173.1	82.7	0	0	0	112.8	I62 V387 T389 C394 I395	I62-H391 HydrophobicContact CD1-CB 3.96Å; V387-H391 WeakPolarHBondContact O-CB 3.37Å; V387-H391 PolarHBondContact O-N 3.43Å; T389-H391 VanDerWaalsContact C-N 3.32Å; T389-H391 PolarHBondContact O-N 2.75Å; H391-C394 PolarHBondContact O-N 2.99Å; H391-I395 WeakPolarHBondContact NE2-CD1 3.35Å; H391-I395 WeakPolarHBondContact O-CG1 3.42Å; H391-I395 PolarHBondContact O-N 2.94Å
392	R	97.5	Very high	97.3	Very high	114 Å²	114	31.7 Å²	31.7	43%	0.43	15%	0.152	S	C	.	.	H	α-helix	trans	-63.4	-42.9	178.8	-73.2	-176.9	-63.3	-100	0.2	112.6	Q388 T389 M390 I395 Q396	Q388-R392 WeakPolarHBondContact O-CG 3.17Å; Q388-R392 PolarHBondContact O-N 3.27Å; T389-R392 PolarHBondContact O-N 2.74Å; T389-R392 PolarHBondContact OG1-NH2 2.93Å; M390-R392 PolarHBondContact O-N 3.01Å; R392-I395 PolarHBondContact O-N 3.29Å; R392-Q396 WeakPolarHBondContact O-CG 3.4Å; R392-Q396 PolarHBondContact O-N 3.47Å
393	I	98.1	Very high	97	Very high	25 Å²	25	29.8 Å²	29.8	13%	0.128	15%	0.146	C	C	.	.	H	α-helix	trans	-64.8	-43.7	178.5	-63.6	159.6	0	0	0	110.2	L343 V360 A361 T389 M390 Q396 A397	L343-I393 HydrophobicContact CD2-CD1 4.14Å; V360-I393 HydrophobicContact CB-CB 4.4Å; V360-I393 HydrophobicContact CB-CD1 4.33Å; V360-I393 HydrophobicContact CB-CG2 3.79Å; V360-I393 HydrophobicContact CG1-CB 3.96Å; V360-I393 HydrophobicContact CG1-CG2 3.64Å; A361-I393 HydrophobicContact CB-CG2 3.89Å; T389-I393 HydrophobicContact CG2-CD1 3.79Å; T389-I393 WeakPolarHBondContact O-CG1 3.37Å; T389-I393 PolarHBondContact O-N 3.3Å; M390-I393 PolarHBondContact O-N 3.49Å; I393-Q396 PolarHBondContact O-N 2.99Å; I393-A397 WeakPolarHBondContact O-CB 3.47Å; I393-A397 PolarHBondContact O-N 3.34Å
394	C	98.3	Very high	96.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55.5	-56.1	175.5	-69.6	0	0	0	0	110.5	R58 V364 M390 H391 Q396 A397 E398	R58-C394 HydrophobicContact CG-CB 3.79Å; V364-C394 HydrophobicContact CG2-CB 4.41Å; M390-C394 WeakPolarHBondContact O-CB 3.5Å; M390-C394 PolarHBondContact O-N 3.4Å; M390-C394 PolarHBondContact O-SG 3.33Å; H391-C394 PolarHBondContact O-N 2.99Å; C394-Q396 PolarHBondContact O-N 2.89Å; C394-Q396 VanDerWaalsContact O-N 3.14Å; C394-A397 PolarHBondContact O-N 2.66Å; C394-E398 WeakPolarHBondContact O-CG 3.29Å; C394-E398 PolarHBondContact O-N 3.2Å
395	I	96.5	Very high	96.4	Very high	19 Å²	19	33.6 Å²	33.6	10%	0.097	17%	0.173	C	C	.	.	H	α-helix	trans	-51.3	-44.5	-179.4	-72	-179.6	0	0	0	112.2	P54 A55 R58 H391 R392 E398 A399	P54-I395 HydrophobicContact CB-CG2 3.5Å; P54-I395 HydrophobicContact CG-CG2 3.35Å; A55-I395 WeakPolarHBondContact O-CG2 3.39Å; R58-I395 HydrophobicContact CB-CD1 4.02Å; R58-I395 HydrophobicContact CB-CG1 3.52Å; R58-I395 HydrophobicContact CG-CG1 3.86Å; H391-I395 WeakPolarHBondContact NE2-CD1 3.35Å; H391-I395 WeakPolarHBondContact O-CG1 3.42Å; H391-I395 PolarHBondContact O-N 2.94Å; R392-I395 PolarHBondContact O-N 3.29Å; I395-E398 PolarHBondContact O-N 2.86Å; I395-A399 PolarHBondContact O-N 3.05Å; I395-A399 VanDerWaalsContact O-N 3.15Å
396	Q	96.7	Very high	96.2	Very high	96 Å²	96	31.9 Å²	31.9	45%	0.449	17%	0.166	S	C	.	.	H	α-helix	trans	-65.7	-46.5	179.2	-69	-66.8	-12.3	0	0	112.1	R392 I393 C394 E398 A399 A400	R392-Q396 WeakPolarHBondContact O-CG 3.4Å; R392-Q396 PolarHBondContact O-N 3.47Å; I393-Q396 PolarHBondContact O-N 2.99Å; C394-Q396 PolarHBondContact O-N 2.89Å; C394-Q396 VanDerWaalsContact O-N 3.14Å; Q396-E398 VanDerWaalsContact C-N 3.3Å; Q396-E398 PolarHBondContact O-N 3.31Å; Q396-A399 PolarHBondContact O-N 3.28Å; Q396-A400 PolarHBondContact O-N 2.88Å; Q396-A400 VanDerWaalsContact O-N 3.13Å
397	A	97.2	Very high	96.1	Very high	5 Å²	5	32.5 Å²	32.5	4%	0.041	17%	0.168	C	C	.	.	H	α-helix	trans	-63.4	-36.6	177.5	0	0	0	0	0	112.3	A361 V364 L365 I393 C394 A400 M401	A361-A397 HydrophobicContact CB-CB 4.06Å; V364-A397 HydrophobicContact CB-CB 3.77Å; V364-A397 HydrophobicContact CG1-CB 3.75Å; V364-A397 HydrophobicContact CG2-CB 4.46Å; L365-A397 WeakPolarHBondContact CD2-O 3.29Å; L365-A397 HydrophobicContact CG-CB 4.42Å; I393-A397 WeakPolarHBondContact O-CB 3.47Å; I393-A397 PolarHBondContact O-N 3.34Å; C394-A397 PolarHBondContact O-N 2.66Å; A397-A400 PolarHBondContact O-N 2.9Å; A397-M401 WeakPolarHBondContact O-CG 3.35Å; A397-M401 PolarHBondContact O-N 3.43Å
398	E	96.5	Very high	95.9	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.042	19%	0.188	C	C	.	.	H	α-helix	trans	-64.1	-40.9	176.5	-61.9	171.6	-176	0	0	111.9	R58 N59 T60 V364 C394 I395 Q396 A400 M401 H403 R479	R58-E398 WeakPolarHBondContact CA-OE2 3.35Å; R58-E398 WeakPolarHBondContact CG-OE1 3.2Å; N59-E398 VanDerWaalsContact N-CD 3.32Å; N59-E398 PolarHBondContact N-OE1 3.45Å; N59-E398 PolarHBondContact N-OE2 3.41Å; T60-E398 VanDerWaalsContact CB-OE1 3.25Å; T60-E398 WeakPolarHBondContact CB-OE1 3.31Å; T60-E398 PolarHBondContact N-OE1 3.4Å; T60-E398 PolarHBondContact OG1-OE1 2.99Å; V364-E398 HydrophobicContact CG1-CG 3.78Å; C394-E398 WeakPolarHBondContact O-CG 3.29Å; C394-E398 PolarHBondContact O-N 3.2Å; I395-E398 PolarHBondContact O-N 2.86Å; Q396-E398 VanDerWaalsContact C-N 3.3Å; Q396-E398 PolarHBondContact O-N 3.31Å; E398-A400 VanDerWaalsContact C-N 3.28Å; E398-A400 PolarHBondContact O-N 3.27Å; E398-M401 WeakPolarHBondContact O-CB 3.32Å; E398-M401 PolarHBondContact O-N 3.48Å; E398-H403 PolarHBondContact O-NE2 3.36Å; E398-R479 VanDerWaalsContact CG-NH2 3.27Å; E398-R479 IonicContact OE1-NH1 3.42Å
399	A	93.7	Very high	95.8	Very high	22 Å²	22	37.4 Å²	37.4	18%	0.182	19%	0.194	C	C	.	.	H	α-helix	trans	-68.3	-29.2	175.9	0	0	0	0	0	112.9	P54 I395 Q396 M401	P54-A399 HydrophobicContact CB-CB 3.61Å; I395-A399 PolarHBondContact O-N 3.05Å; I395-A399 VanDerWaalsContact O-N 3.15Å; Q396-A399 PolarHBondContact O-N 3.28Å; A399-M401 VanDerWaalsContact C-N 3.31Å
400	A	94.9	Very high	95.8	Very high	25 Å²	25	37.5 Å²	37.5	21%	0.207	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-4.2	176.5	0	0	0	0	0	114	H44 L48 L365 Q396 A397 E398	H44-A400 PolarHBondContact NE2-O 2.84Å; L48-A400 HydrophobicContact CD2-CB 3.86Å; L365-A400 HydrophobicContact CD2-CB 4.26Å; Q396-A400 PolarHBondContact O-N 2.88Å; Q396-A400 VanDerWaalsContact O-N 3.13Å; A397-A400 PolarHBondContact O-N 2.9Å; E398-A400 VanDerWaalsContact C-N 3.28Å; E398-A400 PolarHBondContact O-N 3.27Å
401	M	94.2	Very high	95.6	Very high	11 Å²	11	39.7 Å²	39.7	5%	0.054	20%	0.204	C	C	.	.	S	Bend	trans	-70.1	136.6	178.1	-72.7	-173.9	72.8	0	0	112.3	L365 A397 E398 A399 H403 L406 R479	L365-M401 HydrophobicContact CD2-CG 3.88Å; A397-M401 WeakPolarHBondContact O-CG 3.35Å; A397-M401 PolarHBondContact O-N 3.43Å; E398-M401 WeakPolarHBondContact O-CB 3.32Å; E398-M401 PolarHBondContact O-N 3.48Å; A399-M401 VanDerWaalsContact C-N 3.31Å; M401-H403 PolarHBondContact O-CD2 3.16Å; M401-H403 PolarHBondContact O-N 3.16Å; M401-L406 HydrophobicContact CE-CD2 3.3Å; M401-R479 VanDerWaalsContact SD-CZ 3.59Å; M401-R479 PolarHBondContact SD-NH2 2.99Å
402	F	94.6	Very high	95.4	Very high	39 Å²	39	42.1 Å²	42.1	17%	0.171	23%	0.226	C	C	.	.			trans	-81.9	69.2	172.9	-166.6	-163.9	0	0	0	111.3	P38 L41 H44 G404 Q405 L406	P38-F402 HydrophobicContact CB-CZ 4.48Å; P38-F402 HydrophobicContact CG-CD2 4.36Å; P38-F402 HydrophobicContact CG-CE2 3.8Å; P38-F402 HydrophobicContact CG-CZ 4.25Å; P38-F402 WeakPolarHBondContact O-CZ 3.29Å; L41-F402 HydrophobicContact CD1-CD1 4.24Å; H44-F402 HydrophobicContact CB-CD1 4.11Å; H44-F402 HydrophobicContact CB-CD2 4.28Å; H44-F402 HydrophobicContact CB-CE1 4.36Å; H44-F402 HydrophobicContact CB-CG 4.08Å; H44-F402 AromaticContact CG-CG 3.79Å; H44-F402 AromaticContact ND1-CD2 3.7Å; H44-F402 AromaticContact ND1-CG 3.9Å; F402-G404 VanDerWaalsContact C-N 3.27Å; F402-G404 PolarHBondContact O-N 3.35Å; F402-Q405 HydrophobicContact CD1-CB 3.51Å; F402-Q405 HydrophobicContact CD1-CG 4.33Å; F402-Q405 HydrophobicContact CD2-CB 4.49Å; F402-Q405 HydrophobicContact CE1-CB 3.62Å; F402-Q405 HydrophobicContact CE1-CG 4.36Å; F402-Q405 HydrophobicContact CG-CB 3.98Å; F402-Q405 HydrophobicContact CZ-CB 4.16Å; F402-Q405 PolarHBondContact O-N 2.87Å; F402-L406 PolarHBondContact O-N 3.38Å; F402-L406 VanDerWaalsContact O-N 3.13Å
403	H	91.9	Very high	95.3	Very high	25 Å²	25	37.9 Å²	37.9	12%	0.116	21%	0.213	C	C	.	.	H	α-helix	trans	-53.6	-37.7	-171.9	-78.2	-84.4	0	0	0	114.5	E398 M401 L406 F407 R457	E398-H403 PolarHBondContact O-NE2 3.36Å; M401-H403 PolarHBondContact O-CD2 3.16Å; M401-H403 PolarHBondContact O-N 3.16Å; H403-L406 PolarHBondContact O-N 2.91Å; H403-F407 WeakPolarHBondContact O-CB 3.32Å; H403-F407 PolarHBondContact O-N 3.41Å; H403-R457 PolarHBondContact ND1-O 3.04Å
404	G	90.4	Very high	95.1	Very high	40 Å²	40	38.6 Å²	38.6	41%	0.412	22%	0.217	S	C	.	.	H	α-helix	trans	-60.1	-52.6	-179.9	0	0	0	0	0	112	F402 F407 E408	F402-G404 VanDerWaalsContact C-N 3.27Å; F402-G404 PolarHBondContact O-N 3.35Å; G404-F407 PolarHBondContact O-N 3.44Å; G404-E408 PolarHBondContact O-N 3.33Å
405	Q	93.9	Very high	94.6	Very high	83 Å²	83	48.7 Å²	48.7	39%	0.388	26%	0.257	S	S	.	.	H	α-helix	trans	-63.4	-44.9	177.5	-174.4	62.4	53.4	0	0	111.7	F402 F407 E408 D409	F402-Q405 HydrophobicContact CD1-CB 3.51Å; F402-Q405 HydrophobicContact CD1-CG 4.33Å; F402-Q405 HydrophobicContact CD2-CB 4.49Å; F402-Q405 HydrophobicContact CE1-CB 3.62Å; F402-Q405 HydrophobicContact CE1-CG 4.36Å; F402-Q405 HydrophobicContact CG-CB 3.98Å; F402-Q405 HydrophobicContact CZ-CB 4.16Å; F402-Q405 PolarHBondContact O-N 2.87Å; Q405-F407 VanDerWaalsContact C-N 3.28Å; Q405-F407 PolarHBondContact O-N 3.34Å; Q405-E408 PolarHBondContact O-N 2.89Å; Q405-E408 VanDerWaalsContact O-N 3.16Å; Q405-D409 PolarHBondContact NE2-OD1 2.73Å; Q405-D409 VanDerWaalsContact O-CG 3.26Å; Q405-D409 PolarHBondContact O-N 3.26Å
406	L	95.3	Very high	94.2	Very high	38 Å²	38	50.7 Å²	50.7	20%	0.199	28%	0.283	C	S	.	.	H	α-helix	trans	-58	-42.1	179.5	177	59.2	0	0	0	112	M401 F402 H403 D409 L410 R457	M401-L406 HydrophobicContact CE-CD2 3.3Å; F402-L406 PolarHBondContact O-N 3.38Å; F402-L406 VanDerWaalsContact O-N 3.13Å; H403-L406 PolarHBondContact O-N 2.91Å; L406-D409 PolarHBondContact O-N 3.38Å; L406-L410 HydrophobicContact CD1-CD1 3.92Å; L406-L410 HydrophobicContact CD1-CG 4.15Å; L406-L410 HydrophobicContact CG-CD1 3.88Å; L406-L410 WeakPolarHBondContact O-CB 3.39Å; L406-L410 WeakPolarHBondContact O-CD1 3.47Å; L406-L410 WeakPolarHBondContact O-CG 3.36Å; L406-L410 PolarHBondContact O-N 3.14Å; L406-R457 HydrophobicContact CD2-CB 3.8Å; L406-R457 HydrophobicContact CD2-CG 3.85Å; L406-R457 HydrophobicContact CG-CB 4.31Å; L406-R457 HydrophobicContact CG-CG 4.32Å
407	F	96.1	Very high	93.9	Very high	14 Å²	14	52.6 Å²	52.6	6%	0.061	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-40.2	178.2	179.4	-127.1	0	0	0	112.3	H403 G404 Q405 L410 K411 I426 V429 E430 H456	H403-F407 WeakPolarHBondContact O-CB 3.32Å; H403-F407 PolarHBondContact O-N 3.41Å; G404-F407 PolarHBondContact O-N 3.44Å; Q405-F407 VanDerWaalsContact C-N 3.28Å; Q405-F407 PolarHBondContact O-N 3.34Å; F407-L410 PolarHBondContact O-N 3.34Å; F407-K411 HydrophobicContact CD1-CD 4.36Å; F407-K411 HydrophobicContact CD2-CG 4.31Å; F407-K411 HydrophobicContact CE1-CD 3.85Å; F407-K411 HydrophobicContact CE2-CD 3.96Å; F407-K411 HydrophobicContact CE2-CG 3.94Å; F407-K411 HydrophobicContact CZ-CD 3.62Å; F407-K411 HydrophobicContact CZ-CG 4.15Å; F407-K411 WeakPolarHBondContact O-CG 3.41Å; F407-K411 PolarHBondContact O-N 3.34Å; F407-I426 HydrophobicContact CZ-CG2 4.21Å; F407-V429 HydrophobicContact CD2-CG1 3.8Å; F407-V429 HydrophobicContact CE1-CG1 4.38Å; F407-V429 HydrophobicContact CE2-CB 3.93Å; F407-V429 HydrophobicContact CE2-CG1 3.63Å; F407-V429 HydrophobicContact CG-CG1 4.29Å; F407-V429 HydrophobicContact CZ-CB 4.09Å; F407-V429 HydrophobicContact CZ-CG1 3.93Å; F407-E430 HydrophobicContact CE1-CB 4.08Å; F407-E430 VanDerWaalsContact CE1-OE2 3.25Å; F407-E430 WeakPolarHBondContact CE1-OE2 3.39Å; F407-E430 HydrophobicContact CZ-CB 4.18Å; F407-H456 HydrophobicContact CD2-CB 3.93Å; F407-H456 WeakPolarHBondContact CD2-O 3.38Å; F407-H456 HydrophobicContact CE2-CB 3.75Å; F407-H456 AromaticContact CE2-CG 3.95Å; F407-H456 AromaticContact CE2-ND1 3.88Å
408	E	95.2	Very high	93.8	Very high	86 Å²	86	54.4 Å²	54.4	40%	0.402	31%	0.314	S	S	.	.	H	α-helix	trans	-63.9	-43.9	173.9	-66.2	-53.1	146	0	0	112.2	G404 Q405 L410 K411 S412	G404-E408 PolarHBondContact O-N 3.33Å; Q405-E408 PolarHBondContact O-N 2.89Å; Q405-E408 VanDerWaalsContact O-N 3.16Å; E408-L410 VanDerWaalsContact C-N 3.34Å; E408-L410 PolarHBondContact O-N 2.96Å; E408-K411 VanDerWaalsContact CD-CE 3.42Å; E408-K411 PolarHBondContact O-N 2.81Å; E408-K411 WeakPolarHBondContact OE1-CE 3.22Å; E408-K411 IonicContact OE1-NZ 3.04Å; E408-K411 PolarHBondContact OE1-NZ 3.31Å; E408-K411 WeakPolarHBondContact OE2-CE 3.42Å; E408-K411 IonicContact OE2-NZ 3.13Å; E408-K411 PolarHBondContact OE2-NZ 2.93Å; E408-K411 VanDerWaalsContact OE2-NZ 3.08Å; E408-S412 WeakPolarHBondContact O-CB 3.44Å; E408-S412 PolarHBondContact O-N 2.84Å
409	D	96.3	Very high	93.7	Very high	80 Å²	80	58.8 Å²	58.8	43%	0.428	33%	0.334	S	S	.	.	H	α-helix	trans	-60.1	-45.6	177.8	-66.5	-17.4	0	0	0	110.7	Q405 L406 K411 S412 S413	Q405-D409 PolarHBondContact NE2-OD1 2.73Å; Q405-D409 VanDerWaalsContact O-CG 3.26Å; Q405-D409 PolarHBondContact O-N 3.26Å; L406-D409 PolarHBondContact O-N 3.38Å; D409-K411 PolarHBondContact O-N 2.86Å; D409-S412 PolarHBondContact O-N 3.47Å; D409-S412 PolarHBondContact O-OG 3.17Å; D409-S413 PolarHBondContact O-N 2.86Å; D409-S413 VanDerWaalsContact O-N 3.08Å
410	L	97	Very high	93.8	Very high	9 Å²	9	62.2 Å²	62.2	5%	0.047	35%	0.348	C	S	.	.	H	α-helix	trans	-63.6	-41.2	177.6	-71.8	165	0	0	0	112.4	N330 L406 F407 E408 S413 R455 R457	N330-L410 HydrophobicContact CB-CD2 4.27Å; L406-L410 HydrophobicContact CD1-CD1 3.92Å; L406-L410 HydrophobicContact CD1-CG 4.15Å; L406-L410 HydrophobicContact CG-CD1 3.88Å; L406-L410 WeakPolarHBondContact O-CB 3.39Å; L406-L410 WeakPolarHBondContact O-CD1 3.47Å; L406-L410 WeakPolarHBondContact O-CG 3.36Å; L406-L410 PolarHBondContact O-N 3.14Å; F407-L410 PolarHBondContact O-N 3.34Å; E408-L410 VanDerWaalsContact C-N 3.34Å; E408-L410 PolarHBondContact O-N 2.96Å; L410-S413 PolarHBondContact O-N 3Å; L410-S413 PolarHBondContact O-OG 2.73Å; L410-R455 WeakPolarHBondContact CD1-O 3.22Å; L410-R457 HydrophobicContact CD1-CB 4.15Å; L410-R457 HydrophobicContact CD1-CG 3.63Å
411	K	94.9	Very high	93.9	Very high	47 Å²	47	61.8 Å²	61.8	20%	0.204	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-45.6	173.4	-76.9	-173.7	-65.5	-179.8	0	111.4	F407 E408 D409 S413 L414 I426 E430	F407-K411 HydrophobicContact CD1-CD 4.36Å; F407-K411 HydrophobicContact CD2-CG 4.31Å; F407-K411 HydrophobicContact CE1-CD 3.85Å; F407-K411 HydrophobicContact CE2-CD 3.96Å; F407-K411 HydrophobicContact CE2-CG 3.94Å; F407-K411 HydrophobicContact CZ-CD 3.62Å; F407-K411 HydrophobicContact CZ-CG 4.15Å; F407-K411 WeakPolarHBondContact O-CG 3.41Å; F407-K411 PolarHBondContact O-N 3.34Å; E408-K411 VanDerWaalsContact CD-CE 3.42Å; E408-K411 PolarHBondContact O-N 2.81Å; E408-K411 WeakPolarHBondContact OE1-CE 3.22Å; E408-K411 IonicContact OE1-NZ 3.04Å; E408-K411 PolarHBondContact OE1-NZ 3.31Å; E408-K411 WeakPolarHBondContact OE2-CE 3.42Å; E408-K411 IonicContact OE2-NZ 3.13Å; E408-K411 PolarHBondContact OE2-NZ 2.93Å; E408-K411 VanDerWaalsContact OE2-NZ 3.08Å; D409-K411 PolarHBondContact O-N 2.86Å; K411-S413 PolarHBondContact O-N 2.91Å; K411-L414 WeakPolarHBondContact O-CB 3.25Å; K411-L414 WeakPolarHBondContact O-CG 3.42Å; K411-L414 PolarHBondContact O-N 3.31Å; K411-I426 HydrophobicContact CD-CG2 4.01Å; K411-I426 HydrophobicContact CG-CG2 4.35Å; K411-E430 IonicContact NZ-OE2 3Å; K411-E430 PolarHBondContact NZ-OE2 3.36Å; K411-E430 VanDerWaalsContact NZ-OE2 3.12Å
412	S	94.8	Very high	94.1	Very high	97 Å²	97	62 Å²	62	68%	0.678	35%	0.345	S	S	*	.	H	α-helix	trans	-64.8	-23.5	-178.7	78.1	0	0	0	0	113.2	E408 D409 L414	E408-S412 WeakPolarHBondContact O-CB 3.44Å; E408-S412 PolarHBondContact O-N 2.84Å; D409-S412 PolarHBondContact O-N 3.47Å; D409-S412 PolarHBondContact O-OG 3.17Å; S412-L414 VanDerWaalsContact C-N 3.26Å; S412-L414 PolarHBondContact O-N 3.36Å
413	S	94.8	Very high	94.2	Very high	25 Å²	25	63.4 Å²	63.4	18%	0.175	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-7.9	178.3	80.3	0	0	0	0	114.7	D409 L410 K411	D409-S413 PolarHBondContact O-N 2.86Å; D409-S413 VanDerWaalsContact O-N 3.08Å; L410-S413 PolarHBondContact O-N 3Å; L410-S413 PolarHBondContact O-OG 2.73Å; K411-S413 PolarHBondContact O-N 2.91Å
414	L	93.9	Very high	94.5	Very high	40 Å²	40	63 Å²	63	21%	0.209	36%	0.356	C	S	.	.			trans	-78.9	135	-179.6	-63.9	171.5	0	0	0	111.4	K411 S412 T418 H422 I426	K411-L414 WeakPolarHBondContact O-CB 3.25Å; K411-L414 WeakPolarHBondContact O-CG 3.42Å; K411-L414 PolarHBondContact O-N 3.31Å; S412-L414 VanDerWaalsContact C-N 3.26Å; S412-L414 PolarHBondContact O-N 3.36Å; L414-T418 HydrophobicContact CD1-CG2 4.01Å; L414-T418 HydrophobicContact CD2-CG2 4.49Å; L414-H422 VanDerWaalsContact CD2-CE1 3.47Å; L414-H422 WeakPolarHBondContact CD2-CE1 3.49Å; L414-I426 HydrophobicContact CD1-CD1 3.74Å
415	Y	87.6	Confident	94.8	Very high	212 Å²	212	61.2 Å²	61.2	83%	0.831	34%	0.337	S	S	*	.			trans	-98.1	122.9	172.8	-65.2	-80.5	0	0	0	110.5
416	G	87.9	Confident	95	Very high	62 Å²	62	58.7 Å²	58.7	64%	0.639	33%	0.327	S	S	*	.	S	Bend	trans	70.3	-171.3	172.1	0	0	0	0	0	115.1
417	P	91.6	Very high	95.2	Very high	136 Å²	136	59 Å²	59	88%	0.883	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-68.5	139.9	177.2	28.9	-33.9	0	0	0	111.2
418	T	94.6	Very high	95.3	Very high	42 Å²	42	58.4 Å²	58.4	26%	0.258	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-88	154.7	176.9	49.8	0	0	0	0	112.5	L414 T423 I426	L414-T418 HydrophobicContact CD1-CG2 4.01Å; L414-T418 HydrophobicContact CD2-CG2 4.49Å; T418-T423 PolarHBondContact O-OG1 2.88Å; T418-T423 PolarHBondContact OG1-OG1 2.89Å; T418-I426 HydrophobicContact CG2-CD1 4.23Å
419	E	94.6	Very high	95.4	Very high	102 Å²	102	54.6 Å²	54.6	48%	0.477	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-62.5	155.2	170.9	66.1	177.6	173.1	0	0	111.8	A421 H422 T423 R448	E419-A421 VanDerWaalsContact C-N 3.31Å; E419-A421 PolarHBondContact O-N 2.76Å; E419-A421 VanDerWaalsContact O-N 3.16Å; E419-H422 HydrophobicContact CG-CB 3.68Å; E419-H422 WeakPolarHBondContact O-CA 3.13Å; E419-H422 WeakPolarHBondContact O-CB 3.38Å; E419-H422 PolarHBondContact O-N 3.36Å; E419-T423 PolarHBondContact O-N 3.03Å; E419-T423 PolarHBondContact O-OG1 3.17Å; E419-R448 IonicContact OE1-CZ 2.71Å; E419-R448 IonicContact OE1-NE 3.56Å; E419-R448 IonicContact OE1-NH2 2.92Å; E419-R448 PolarHBondContact OE1-NH2 3.03Å
420	M	95.9	Very high	95.5	Very high	93 Å²	93	53 Å²	53	46%	0.458	31%	0.305	S	S	.	.	H	α-helix	trans	-48.8	-46.1	-176.3	179.9	-179.7	65.6	0	0	113.9	H422 T423 T424 N535	M420-H422 VanDerWaalsContact C-N 3.34Å; M420-H422 PolarHBondContact O-N 3.12Å; M420-T423 PolarHBondContact O-N 2.75Å; M420-T424 WeakPolarHBondContact O-CB 3.39Å; M420-T424 PolarHBondContact O-N 3.26Å; M420-T424 PolarHBondContact O-OG1 3.11Å; M420-N535 HydrophobicContact CE-CB 3.98Å; M420-N535 HydrophobicContact CG-CB 3.77Å; M420-N535 HydrophobicContact SD-CB 3.46Å; M420-N535 WeakPolarHBondContact SD-CB 3.47Å
421	A	96.9	Very high	95.5	Very high	17 Å²	17	53.6 Å²	53.6	14%	0.14	31%	0.311	C	S	.	.	H	α-helix	trans	-66.6	-35.9	179.9	0	0	0	0	0	112.4	E419 A425 L452	E419-A421 VanDerWaalsContact C-N 3.31Å; E419-A421 PolarHBondContact O-N 2.76Å; E419-A421 VanDerWaalsContact O-N 3.16Å; A421-A425 PolarHBondContact O-N 3.32Å; A421-L452 HydrophobicContact CB-CD1 3.91Å
422	H	97.1	Very high	95.6	Very high	14 Å²	14	51.6 Å²	51.6	7%	0.065	30%	0.303	C	S	.	.	H	α-helix	trans	-74.5	-41.4	178.7	-171.1	177.2	0	0	0	110.9	L414 E419 M420 T424 A425 I426 L452 H456	L414-H422 VanDerWaalsContact CD2-CE1 3.47Å; L414-H422 WeakPolarHBondContact CD2-CE1 3.49Å; E419-H422 HydrophobicContact CG-CB 3.68Å; E419-H422 WeakPolarHBondContact O-CA 3.13Å; E419-H422 WeakPolarHBondContact O-CB 3.38Å; E419-H422 PolarHBondContact O-N 3.36Å; M420-H422 VanDerWaalsContact C-N 3.34Å; M420-H422 PolarHBondContact O-N 3.12Å; H422-T424 VanDerWaalsContact C-N 3.3Å; H422-T424 PolarHBondContact O-N 3.14Å; H422-A425 WeakPolarHBondContact O-CB 3.38Å; H422-A425 PolarHBondContact O-N 3.31Å; H422-A425 VanDerWaalsContact O-N 3.11Å; H422-I426 WeakPolarHBondContact O-CG1 3.32Å; H422-I426 PolarHBondContact O-N 2.95Å; H422-L452 HydrophobicContact CB-CD1 4.15Å; H422-L452 HydrophobicContact CB-CD2 3.86Å; H422-H456 AromaticContact CD2-NE2 3.43Å; H422-H456 PolarHBondContact CD2-NE2 2.8Å; H422-H456 AromaticContact NE2-CE1 3.84Å; H422-H456 AromaticContact NE2-NE2 3.13Å; H422-H456 PolarHBondContact NE2-NE2 2.97Å; H422-H456 VanDerWaalsContact NE2-NE2 3.13Å
423	T	97.2	Very high	95.5	Very high	70 Å²	70	50.9 Å²	50.9	43%	0.429	30%	0.298	S	S	.	.	H	α-helix	trans	-57.2	-44.6	171	-53.6	0	0	0	0	111.3	T418 E419 M420 A425 I426 A427	T418-T423 PolarHBondContact O-OG1 2.88Å; T418-T423 PolarHBondContact OG1-OG1 2.89Å; E419-T423 PolarHBondContact O-N 3.03Å; E419-T423 PolarHBondContact O-OG1 3.17Å; M420-T423 PolarHBondContact O-N 2.75Å; T423-A425 VanDerWaalsContact C-N 3.31Å; T423-A425 PolarHBondContact O-N 3.35Å; T423-I426 PolarHBondContact O-N 2.97Å; T423-A427 PolarHBondContact O-N 3.24Å
424	T	98	Very high	95.5	Very high	16 Å²	16	58.7 Å²	58.7	10%	0.098	32%	0.324	C	S	.	.	H	α-helix	trans	-62.1	-39	176.4	-54.5	0	0	0	0	111.6	M420 H422 A427 A428 V524 T534 N535 L537	M420-T424 WeakPolarHBondContact O-CB 3.39Å; M420-T424 PolarHBondContact O-N 3.26Å; M420-T424 PolarHBondContact O-OG1 3.11Å; H422-T424 VanDerWaalsContact C-N 3.3Å; H422-T424 PolarHBondContact O-N 3.14Å; T424-A427 PolarHBondContact O-N 2.92Å; T424-A428 WeakPolarHBondContact O-CB 3.43Å; T424-A428 PolarHBondContact O-N 3.12Å; T424-V524 HydrophobicContact CG2-CG1 4.08Å; T424-T534 HydrophobicContact CG2-CG2 4.45Å; T424-N535 WeakPolarHBondContact OG1-CA 3.42Å; T424-L537 HydrophobicContact CG2-CB 4.48Å
425	A	98.2	Very high	95.5	Very high	2 Å²	2	58.5 Å²	58.5	2%	0.017	33%	0.325	C	S	.	.	H	α-helix	trans	-65.9	-41.7	176.9	0	0	0	0	0	112.7	A421 H422 T423 A428 V429 L452 I453	A421-A425 PolarHBondContact O-N 3.32Å; H422-A425 WeakPolarHBondContact O-CB 3.38Å; H422-A425 PolarHBondContact O-N 3.31Å; H422-A425 VanDerWaalsContact O-N 3.11Å; T423-A425 VanDerWaalsContact C-N 3.31Å; T423-A425 PolarHBondContact O-N 3.35Å; A425-A428 PolarHBondContact O-N 3.24Å; A425-V429 PolarHBondContact O-N 3.21Å; A425-V429 VanDerWaalsContact O-N 3.12Å; A425-L452 HydrophobicContact CB-CB 3.72Å; A425-I453 HydrophobicContact CB-CB 4.49Å; A425-I453 HydrophobicContact CB-CG1 3.71Å
426	I	97.7	Very high	95.7	Very high	31 Å²	31	53.9 Å²	53.9	16%	0.159	32%	0.315	C	S	.	.	H	α-helix	trans	-58.9	-50.3	173.8	-65.6	163.2	0	0	0	109.8	F407 K411 L414 T418 H422 T423 A428 V429 E430 H456	F407-I426 HydrophobicContact CZ-CG2 4.21Å; K411-I426 HydrophobicContact CD-CG2 4.01Å; K411-I426 HydrophobicContact CG-CG2 4.35Å; L414-I426 HydrophobicContact CD1-CD1 3.74Å; T418-I426 HydrophobicContact CG2-CD1 4.23Å; H422-I426 WeakPolarHBondContact O-CG1 3.32Å; H422-I426 PolarHBondContact O-N 2.95Å; T423-I426 PolarHBondContact O-N 2.97Å; I426-A428 VanDerWaalsContact C-N 3.28Å; I426-A428 PolarHBondContact O-N 3.13Å; I426-V429 PolarHBondContact O-N 3.48Å; I426-E430 PolarHBondContact O-N 3.37Å; I426-H456 WeakPolarHBondContact CG1-NE2 3.32Å
427	A	98.1	Very high	96	Very high	45 Å²	45	51.2 Å²	51.2	37%	0.372	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-36.5	179.3	0	0	0	0	0	112.3	T423 T424 A431 L537	T423-A427 PolarHBondContact O-N 3.24Å; T424-A427 PolarHBondContact O-N 2.92Å; A427-A431 WeakPolarHBondContact O-CB 3.41Å; A427-A431 PolarHBondContact O-N 3.3Å; A427-L537 HydrophobicContact CB-CD1 3.99Å
428	A	98.5	Very high	96.1	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-63.9	-43.2	176.6	0	0	0	0	0	112.5	T424 A425 I426 A432 I522 V524 L537	T424-A428 WeakPolarHBondContact O-CB 3.43Å; T424-A428 PolarHBondContact O-N 3.12Å; A425-A428 PolarHBondContact O-N 3.24Å; I426-A428 VanDerWaalsContact C-N 3.28Å; I426-A428 PolarHBondContact O-N 3.13Å; A428-A432 VanDerWaalsContact O-CB 3.28Å; A428-A432 WeakPolarHBondContact O-CB 3.43Å; A428-A432 PolarHBondContact O-N 3.03Å; A428-I522 HydrophobicContact CB-CG2 4.08Å; A428-V524 HydrophobicContact CB-CG2 3.68Å; A428-L537 HydrophobicContact CB-CD1 3.86Å; A428-L537 VanDerWaalsContact N-CD1 3.31Å
429	V	98	Very high	96.2	Very high	6 Å²	6	43.8 Å²	43.8	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-70.7	-42	178.4	175.5	0	0	0	0	111.4	F407 A425 I426 A432 S433 I440 I453 H456 P458	F407-V429 HydrophobicContact CD2-CG1 3.8Å; F407-V429 HydrophobicContact CE1-CG1 4.38Å; F407-V429 HydrophobicContact CE2-CB 3.93Å; F407-V429 HydrophobicContact CE2-CG1 3.63Å; F407-V429 HydrophobicContact CG-CG1 4.29Å; F407-V429 HydrophobicContact CZ-CB 4.09Å; F407-V429 HydrophobicContact CZ-CG1 3.93Å; A425-V429 PolarHBondContact O-N 3.21Å; A425-V429 VanDerWaalsContact O-N 3.12Å; I426-V429 PolarHBondContact O-N 3.48Å; V429-A432 PolarHBondContact O-N 3.15Å; V429-S433 PolarHBondContact O-N 3.07Å; V429-I440 HydrophobicContact CG2-CD1 4.24Å; V429-I453 HydrophobicContact CG2-CG2 3.88Å; V429-H456 HydrophobicContact CB-CB 4.13Å; V429-H456 HydrophobicContact CG1-CB 4.18Å; V429-H456 HydrophobicContact CG2-CB 3.76Å; V429-P458 HydrophobicContact CG1-CB 4.1Å; V429-P458 HydrophobicContact CG2-CB 4.11Å; V429-P458 HydrophobicContact CG2-CG 4.18Å
430	E	97.7	Very high	96.3	Very high	48 Å²	48	38.9 Å²	38.9	22%	0.224	22%	0.218	C	C	.	.	H	α-helix	trans	-59.2	-49.9	173.5	-177.3	75.5	-139.6	0	0	110.5	F407 K411 I426 A432 S433 R434	F407-E430 HydrophobicContact CE1-CB 4.08Å; F407-E430 VanDerWaalsContact CE1-OE2 3.25Å; F407-E430 WeakPolarHBondContact CE1-OE2 3.39Å; F407-E430 HydrophobicContact CZ-CB 4.18Å; K411-E430 IonicContact NZ-OE2 3Å; K411-E430 PolarHBondContact NZ-OE2 3.36Å; K411-E430 VanDerWaalsContact NZ-OE2 3.12Å; I426-E430 PolarHBondContact O-N 3.37Å; E430-A432 PolarHBondContact O-N 2.99Å; E430-S433 PolarHBondContact O-N 2.81Å; E430-R434 HydrophobicContact CG-CG 4.49Å; E430-R434 VanDerWaalsContact O-CG 3.29Å; E430-R434 WeakPolarHBondContact O-CG 3.26Å; E430-R434 PolarHBondContact O-N 2.88Å; E430-R434 IonicContact OE1-CZ 3.44Å; E430-R434 IonicContact OE1-NE 2.72Å; E430-R434 PolarHBondContact OE1-NE 2.94Å; E430-R434 IonicContact OE1-NH2 3.22Å; E430-R434 PolarHBondContact OE1-NH2 3.1Å
431	A	97.8	Very high	96.4	Very high	21 Å²	21	34.5 Å²	34.5	17%	0.174	20%	0.196	C	C	.	.	H	α-helix	trans	-59.3	-45.6	178	0	0	0	0	0	111.9	A427 S433 R434 C435 I522 L537 V539	A427-A431 WeakPolarHBondContact O-CB 3.41Å; A427-A431 PolarHBondContact O-N 3.3Å; A431-S433 VanDerWaalsContact C-N 3.28Å; A431-S433 PolarHBondContact O-N 3.43Å; A431-R434 PolarHBondContact O-N 2.95Å; A431-C435 PolarHBondContact O-N 3.35Å; A431-C435 PolarHBondContact O-SG 2.87Å; A431-I522 HydrophobicContact CB-CD1 3.88Å; A431-L537 HydrophobicContact CB-CD1 4.48Å; A431-V539 HydrophobicContact CB-CG2 4.38Å
432	A	96.8	Very high	96.5	Very high	5 Å²	5	33.7 Å²	33.7	4%	0.041	19%	0.19	C	C	.	.	H	α-helix	trans	-58	-41.8	176.9	0	0	0	0	0	111.9	A428 V429 E430 N436 A437 I440 I522	A428-A432 VanDerWaalsContact O-CB 3.28Å; A428-A432 WeakPolarHBondContact O-CB 3.43Å; A428-A432 PolarHBondContact O-N 3.03Å; V429-A432 PolarHBondContact O-N 3.15Å; E430-A432 PolarHBondContact O-N 2.99Å; A432-N436 CarbonylContact O-C 3.54Å; A432-N436 WeakPolarHBondContact O-CA 3.39Å; A432-N436 PolarHBondContact O-N 3.29Å; A432-N436 VanDerWaalsContact O-N 3.14Å; A432-A437 HydrophobicContact CB-CB 3.97Å; A432-A437 PolarHBondContact O-N 3.5Å; A432-I440 HydrophobicContact CB-CD1 3.91Å; A432-I440 HydrophobicContact CB-CG1 3.93Å; A432-I522 HydrophobicContact CB-CG1 3.79Å
433	S	93.6	Very high	96.5	Very high	81 Å²	81	33.6 Å²	33.6	57%	0.566	19%	0.189	S	C	*	.	H	α-helix	trans	-67.7	-39	177.1	-167.9	0	0	0	0	112.4	V429 E430 A431	V429-S433 PolarHBondContact O-N 3.07Å; E430-S433 PolarHBondContact O-N 2.81Å; A431-S433 VanDerWaalsContact C-N 3.28Å; A431-S433 PolarHBondContact O-N 3.43Å
434	R	94	Very high	96.5	Very high	190 Å²	190	30.6 Å²	30.6	72%	0.717	17%	0.171	S	C	*	.	H	α-helix	trans	-73.6	-36.5	-175.8	-66.9	-64.8	174.2	-173.2	-4.6	113.8	E430 A431	E430-R434 HydrophobicContact CG-CG 4.49Å; E430-R434 VanDerWaalsContact O-CG 3.29Å; E430-R434 WeakPolarHBondContact O-CG 3.26Å; E430-R434 PolarHBondContact O-N 2.88Å; E430-R434 IonicContact OE1-CZ 3.44Å; E430-R434 IonicContact OE1-NE 2.72Å; E430-R434 PolarHBondContact OE1-NE 2.94Å; E430-R434 IonicContact OE1-NH2 3.22Å; E430-R434 PolarHBondContact OE1-NH2 3.1Å; A431-R434 PolarHBondContact O-N 2.95Å
435	C	93.4	Very high	96.3	Very high	36 Å²	36	31.7 Å²	31.7	24%	0.243	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	6.7	177.1	69.5	0	0	0	0	113.6	A431 A437 F520	A431-C435 PolarHBondContact O-N 3.35Å; A431-C435 PolarHBondContact O-SG 2.87Å; C435-A437 VanDerWaalsContact C-N 3.27Å; C435-A437 PolarHBondContact O-N 2.9Å; C435-F520 HydrophobicContact CB-CB 4.37Å; C435-F520 HydrophobicContact CB-CD2 4.23Å; C435-F520 HydrophobicContact CB-CG 4.27Å
436	N	91.6	Very high	96.2	Very high	115 Å²	115	34.4 Å²	34.4	62%	0.615	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.1	49.8	-173.9	-165.4	34.5	0	0	0	111.6	A432	A432-N436 CarbonylContact O-C 3.54Å; A432-N436 WeakPolarHBondContact O-CA 3.39Å; A432-N436 PolarHBondContact O-N 3.29Å; A432-N436 VanDerWaalsContact O-N 3.14Å
437	A	94.1	Very high	96.1	Very high	6 Å²	6	32.9 Å²	32.9	5%	0.05	19%	0.189	C	C	.	.			trans	-59.1	140	-176.3	0	0	0	0	0	110.7	A432 C435 A439 C460 F520 I522	A432-A437 HydrophobicContact CB-CB 3.97Å; A432-A437 PolarHBondContact O-N 3.5Å; C435-A437 VanDerWaalsContact C-N 3.27Å; C435-A437 PolarHBondContact O-N 2.9Å; A437-A439 VanDerWaalsContact C-N 3.33Å; A437-C460 WeakPolarHBondContact O-CB 3.26Å; A437-F520 CarbonylContact C-O 3.38Å; A437-F520 VanDerWaalsContact CA-O 3.32Å; A437-F520 WeakPolarHBondContact CA-O 3.43Å; A437-I522 HydrophobicContact CB-CD1 4.26Å; A437-I522 HydrophobicContact CB-CG1 3.87Å
438	A	94.1	Very high	96.1	Very high	21 Å²	21	35.5 Å²	35.5	17%	0.174	19%	0.189	C	C	.	.	S	Bend	trans	-78.5	-21.2	179.3	0	0	0	0	0	112.6	P461 F515 C519 F520	A438-P461 WeakPolarHBondContact O-CD 3.32Å; A438-F515 HydrophobicContact CB-CB 3.54Å; A438-F515 HydrophobicContact CB-CG 4.49Å; A438-C519 HydrophobicContact CB-CB 3.88Å; A438-F520 PolarHBondContact N-O 3.43Å
439	A	96.2	Very high	96.1	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.3	157.8	173.2	0	0	0	0	0	112.1	A437 P461 L463 F515 V521 I522	A437-A439 VanDerWaalsContact C-N 3.33Å; A439-P461 WeakPolarHBondContact CA-O 3.34Å; A439-P461 HydrophobicContact CB-CG 4.3Å; A439-L463 HydrophobicContact CB-CD1 4.22Å; A439-L463 HydrophobicContact CB-CG 4.21Å; A439-F515 HydrophobicContact CB-CD1 4.13Å; A439-F515 HydrophobicContact CB-CE1 4.18Å; A439-V521 HydrophobicContact CB-CG1 4.41Å; A439-V521 WeakPolarHBondContact O-CA 3.27Å; A439-I522 PolarHBondContact O-N 3.02Å
440	I	97.9	Very high	96.1	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	117.5	161.1	-59.7	166.3	0	0	0	107.8	V429 A432 I453 P458 P461 I462 L463 I522 V524	V429-I440 HydrophobicContact CG2-CD1 4.24Å; A432-I440 HydrophobicContact CB-CD1 3.91Å; A432-I440 HydrophobicContact CB-CG1 3.93Å; I440-I453 HydrophobicContact CD1-CG2 3.69Å; I440-I453 HydrophobicContact CG2-CD1 4.09Å; I440-I453 HydrophobicContact CG2-CG2 4.31Å; I440-P458 HydrophobicContact CD1-CB 3.87Å; I440-P458 HydrophobicContact CD1-CG 4.02Å; I440-P461 PolarHBondContact N-O 2.99Å; I440-I462 CarbonylContact O-C 3.58Å; I440-I462 VanDerWaalsContact O-CA 3.26Å; I440-I462 WeakPolarHBondContact O-CA 3.37Å; I440-L463 PolarHBondContact O-N 3.41Å; I440-I522 CarbonylContact C-O 3.58Å; I440-I522 WeakPolarHBondContact CA-O 3.29Å; I440-I522 HydrophobicContact CB-CB 4.47Å; I440-I522 HydrophobicContact CG1-CB 4.04Å; I440-I522 HydrophobicContact CG1-CG1 4.31Å; I440-I522 HydrophobicContact CG2-CB 4.36Å; I440-I522 HydrophobicContact CG2-CG2 4.49Å; I440-V524 HydrophobicContact CG2-CG2 4.06Å
441	I	98	Very high	96.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	122.9	172.9	-62	168.8	0	0	0	108.2	I443 L463 A505 L506 V521 I522 I523 V524	I441-I443 HydrophobicContact CG2-CD1 4.32Å; I441-L463 WeakPolarHBondContact CA-O 3.46Å; I441-L463 HydrophobicContact CG1-CB 4.18Å; I441-L463 HydrophobicContact CG1-CD1 4.35Å; I441-A505 HydrophobicContact CD1-CB 4.2Å; I441-A505 HydrophobicContact CG1-CB 4.24Å; I441-A505 HydrophobicContact CG2-CB 3.68Å; I441-L506 HydrophobicContact CD1-CD2 3.56Å; I441-L506 HydrophobicContact CD1-CG 4.02Å; I441-V521 HydrophobicContact CD1-CB 4.5Å; I441-V521 HydrophobicContact CD1-CG2 4.41Å; I441-I522 PolarHBondContact N-O 3.4Å; I441-I523 HydrophobicContact CB-CG1 4.46Å; I441-I523 WeakPolarHBondContact O-CA 3.36Å; I441-V524 PolarHBondContact O-N 2.8Å
442	V	98	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.2	178.8	61.5	0	0	0	0	110.7	C450 I453 I462 L463 T464 V465 V524	V442-C450 HydrophobicContact CG1-CB 3.64Å; V442-I453 HydrophobicContact CB-CD1 3.99Å; V442-I453 HydrophobicContact CG1-CD1 4.43Å; V442-I453 HydrophobicContact CG2-CD1 3.93Å; V442-I462 HydrophobicContact CG1-CG2 3.59Å; V442-L463 PolarHBondContact N-O 3.44Å; V442-T464 HydrophobicContact CG1-CG2 3.99Å; V442-T464 WeakPolarHBondContact CG1-OG1 3.42Å; V442-T464 WeakPolarHBondContact O-CA 3.42Å; V442-V465 PolarHBondContact O-N 3.35Å; V442-V524 HydrophobicContact CB-CB 4.36Å; V442-V524 HydrophobicContact CG2-CB 4.22Å; V442-V524 HydrophobicContact CG2-CG1 4.33Å
443	I	97.3	Very high	96.2	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.062	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	121.7	176.2	-49.2	-57.6	0	0	0	108.4	I441 V465 M498 R501 I502 V524 T525	I441-I443 HydrophobicContact CG2-CD1 4.32Å; I443-V465 HydrophobicContact CD1-CB 3.59Å; I443-V465 HydrophobicContact CD1-CG1 4.34Å; I443-V465 HydrophobicContact CD1-CG2 3.72Å; I443-M498 HydrophobicContact CB-SD 3.92Å; I443-M498 HydrophobicContact CG1-SD 3.72Å; I443-M498 HydrophobicContact CG2-SD 3.83Å; I443-R501 HydrophobicContact CD1-CB 4.03Å; I443-I502 HydrophobicContact CD1-CG1 4.13Å; I443-I502 HydrophobicContact CG1-CG1 4.22Å; I443-V524 PolarHBondContact N-O 3.32Å; I443-T525 HydrophobicContact CG1-CG2 4.04Å
444	T	96.9	Very high	96.4	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.043	15%	0.149	C	C	.	.			trans	-141.1	146	-173.8	-163.4	0	0	0	0	114.1	G447 T464 V465 T466	T444-G447 WeakPolarHBondContact OG1-CA 3.46Å; T444-G447 PolarHBondContact OG1-N 3.31Å; T444-G447 VanDerWaalsContact OG1-N 3.1Å; T444-T464 HydrophobicContact CG2-CG2 3.39Å; T444-V465 PolarHBondContact N-O 2.96Å; T444-T466 VanDerWaalsContact O-CB 3.25Å; T444-T466 WeakPolarHBondContact O-CB 3.48Å; T444-T466 PolarHBondContact O-OG1 3.38Å
445	T	95.3	Very high	96.6	Very high	39 Å²	39	22.4 Å²	22.4	24%	0.239	12%	0.122	C	C	.	.	S	Bend	trans	-97.4	-48.1	175.5	-54.2	0	0	0	0	110.7	H468 G530	T445-H468 WeakPolarHBondContact CG2-NE2 3.44Å; T445-H468 PolarHBondContact O-CD2 3.27Å; T445-G530 PolarHBondContact OG1-O 2.97Å
446	S	95	Very high	96.8	Very high	59 Å²	59	20.7 Å²	20.7	41%	0.413	11%	0.11	S	C	.	.	S	Bend	trans	-101.1	-5.1	-176.3	61.4	0	0	0	0	114.7	R448	S446-R448 VanDerWaalsContact C-N 3.25Å; S446-R448 PolarHBondContact O-N 3.42Å
447	G	96.9	Very high	97.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.083	C	C	.	.	S	Bend	trans	85.6	-21	-173.1	0	0	0	0	0	114.2	T444 S449 C450 Q451	T444-G447 WeakPolarHBondContact OG1-CA 3.46Å; T444-G447 PolarHBondContact OG1-N 3.31Å; T444-G447 VanDerWaalsContact OG1-N 3.1Å; G447-S449 VanDerWaalsContact C-N 3.28Å; G447-S449 PolarHBondContact O-N 3.11Å; G447-C450 PolarHBondContact O-N 2.88Å; G447-C450 PolarHBondContact O-SG 3.16Å; G447-Q451 VanDerWaalsContact O-CG 3.31Å; G447-Q451 WeakPolarHBondContact O-CG 3.47Å; G447-Q451 PolarHBondContact O-N 2.97Å; G447-Q451 VanDerWaalsContact O-N 3.15Å
448	R	96.9	Very high	97.2	Very high	100 Å²	100	15.9 Å²	15.9	38%	0.377	8%	0.083	S	C	.	.	H	α-helix	trans	-51.3	-41.1	-174	179.8	58.9	177.6	154.4	1.5	114.4	E419 S446 C450 Q451 L452	E419-R448 IonicContact OE1-CZ 2.71Å; E419-R448 IonicContact OE1-NE 3.56Å; E419-R448 IonicContact OE1-NH2 2.92Å; E419-R448 PolarHBondContact OE1-NH2 3.03Å; S446-R448 VanDerWaalsContact C-N 3.25Å; S446-R448 PolarHBondContact O-N 3.42Å; R448-C450 PolarHBondContact O-N 3.31Å; R448-Q451 PolarHBondContact O-N 3.4Å; R448-L452 HydrophobicContact CG-CD1 4.19Å; R448-L452 VanDerWaalsContact CZ-CD2 3.42Å; R448-L452 WeakPolarHBondContact O-CG 3.23Å; R448-L452 PolarHBondContact O-N 3.5Å
449	S	97.9	Very high	97.2	Very high	10 Å²	10	20.8 Å²	20.8	7%	0.07	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-44	179.4	-43.6	0	0	0	0	112.8	G447 L452 I453 T534	G447-S449 VanDerWaalsContact C-N 3.28Å; G447-S449 PolarHBondContact O-N 3.11Å; S449-L452 PolarHBondContact O-N 3.02Å; S449-I453 WeakPolarHBondContact O-CG1 3.42Å; S449-I453 PolarHBondContact O-N 3.47Å; S449-T534 PolarHBondContact OG-OG1 3.19Å
450	C	98.1	Very high	97.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-73.3	-32.3	-179.8	72.8	0	0	0	0	111.5	V442 G447 R448 I453 S454 I462 T464 V481	V442-C450 HydrophobicContact CG1-CB 3.64Å; G447-C450 PolarHBondContact O-N 2.88Å; G447-C450 PolarHBondContact O-SG 3.16Å; R448-C450 PolarHBondContact O-N 3.31Å; C450-I453 PolarHBondContact O-N 3.48Å; C450-S454 VanDerWaalsContact O-CB 3.26Å; C450-S454 WeakPolarHBondContact O-CB 3.28Å; C450-S454 PolarHBondContact O-N 3.48Å; C450-I462 HydrophobicContact CB-CG2 4.31Å; C450-T464 HydrophobicContact CB-CG2 3.84Å; C450-T464 VanDerWaalsContact CB-OG1 3.28Å; C450-T464 WeakPolarHBondContact CB-OG1 3.49Å; C450-V481 HydrophobicContact CB-CG1 4.3Å; C450-V481 HydrophobicContact CB-CG2 4.31Å
451	Q	98.2	Very high	97.1	Very high	26 Å²	26	21.9 Å²	21.9	12%	0.121	11%	0.105	C	C	.	.	H	α-helix	trans	-62.5	-44.2	174.4	-61.1	169.4	-4.3	0	0	111.1	G447 R448 I453 S454 R455 Y478	G447-Q451 VanDerWaalsContact O-CG 3.31Å; G447-Q451 WeakPolarHBondContact O-CG 3.47Å; G447-Q451 PolarHBondContact O-N 2.97Å; G447-Q451 VanDerWaalsContact O-N 3.15Å; R448-Q451 PolarHBondContact O-N 3.4Å; Q451-I453 VanDerWaalsContact C-N 3.33Å; Q451-I453 PolarHBondContact O-N 2.88Å; Q451-S454 PolarHBondContact O-N 3.16Å; Q451-R455 PolarHBondContact O-N 3.01Å; Q451-Y478 HydrophobicContact CB-CD1 3.95Å; Q451-Y478 HydrophobicContact CB-CE1 3.69Å; Q451-Y478 VanDerWaalsContact CD-CZ 3.47Å; Q451-Y478 HydrophobicContact CG-CD1 3.79Å; Q451-Y478 HydrophobicContact CG-CD2 3.99Å; Q451-Y478 HydrophobicContact CG-CE1 3.45Å; Q451-Y478 VanDerWaalsContact CG-CE1 3.45Å; Q451-Y478 HydrophobicContact CG-CE2 3.7Å; Q451-Y478 HydrophobicContact CG-CG 4.05Å; Q451-Y478 VanDerWaalsContact CG-CZ 3.42Å; Q451-Y478 PolarHBondContact NE2-OH 2.72Å
452	L	98	Very high	97.1	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-62.6	-37.5	175.9	-77.9	171.9	0	0	0	112.8	A421 H422 A425 R448 S449 H456	A421-L452 HydrophobicContact CB-CD1 3.91Å; H422-L452 HydrophobicContact CB-CD1 4.15Å; H422-L452 HydrophobicContact CB-CD2 3.86Å; A425-L452 HydrophobicContact CB-CB 3.72Å; R448-L452 HydrophobicContact CG-CD1 4.19Å; R448-L452 VanDerWaalsContact CZ-CD2 3.42Å; R448-L452 WeakPolarHBondContact O-CG 3.23Å; R448-L452 PolarHBondContact O-N 3.5Å; S449-L452 PolarHBondContact O-N 3.02Å; L452-H456 PolarHBondContact O-CD2 3.46Å; L452-H456 VanDerWaalsContact O-CD2 3.27Å
453	I	98.5	Very high	97.1	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-70.2	-45.7	175	-63.3	163.9	0	0	0	110.1	A425 V429 I440 V442 S449 C450 Q451 R455 H456 P458 I462 V524	A425-I453 HydrophobicContact CB-CB 4.49Å; A425-I453 HydrophobicContact CB-CG1 3.71Å; V429-I453 HydrophobicContact CG2-CG2 3.88Å; I440-I453 HydrophobicContact CD1-CG2 3.69Å; I440-I453 HydrophobicContact CG2-CD1 4.09Å; I440-I453 HydrophobicContact CG2-CG2 4.31Å; V442-I453 HydrophobicContact CB-CD1 3.99Å; V442-I453 HydrophobicContact CG1-CD1 4.43Å; V442-I453 HydrophobicContact CG2-CD1 3.93Å; S449-I453 WeakPolarHBondContact O-CG1 3.42Å; S449-I453 PolarHBondContact O-N 3.47Å; C450-I453 PolarHBondContact O-N 3.48Å; Q451-I453 VanDerWaalsContact C-N 3.33Å; Q451-I453 PolarHBondContact O-N 2.88Å; I453-R455 VanDerWaalsContact C-N 3.31Å; I453-R455 PolarHBondContact O-N 2.73Å; I453-H456 PolarHBondContact O-N 2.93Å; I453-H456 VanDerWaalsContact O-N 3.07Å; I453-P458 HydrophobicContact CG2-CG 4.29Å; I453-P458 WeakPolarHBondContact O-CD 3.31Å; I453-I462 HydrophobicContact CB-CD1 4.16Å; I453-I462 HydrophobicContact CG2-CD1 3.62Å; I453-I462 HydrophobicContact CG2-CG1 3.88Å; I453-I462 HydrophobicContact CG2-CG2 4.32Å; I453-V524 HydrophobicContact CD1-CB 4.31Å; I453-V524 HydrophobicContact CD1-CG1 4.34Å; I453-V524 HydrophobicContact CD1-CG2 4.13Å
454	S	98.6	Very high	97.1	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.007	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-38.4	179.5	177.2	0	0	0	0	112.9	C450 Q451 H456 R457 R479	C450-S454 VanDerWaalsContact O-CB 3.26Å; C450-S454 WeakPolarHBondContact O-CB 3.28Å; C450-S454 PolarHBondContact O-N 3.48Å; Q451-S454 PolarHBondContact O-N 3.16Å; S454-H456 PolarHBondContact O-N 3.18Å; S454-H456 VanDerWaalsContact O-N 3.09Å; S454-R457 PolarHBondContact O-N 2.9Å; S454-R479 WeakPolarHBondContact CB-O 3.4Å; S454-R479 PolarHBondContact OG-N 3.17Å; S454-R479 PolarHBondContact OG-O 2.9Å
455	R	97.9	Very high	97.1	Very high	37 Å²	37	21 Å²	21	14%	0.14	10%	0.1	C	C	.	.	H	α-helix	trans	-49.7	-36.5	173.5	175.3	-179.9	178.5	157.7	-9.9	112.3	Q331 V332 L410 Q451 I453 R457	Q331-R455 PolarHBondContact O-NH2 3.34Å; V332-R455 PolarHBondContact O-NH1 3.44Å; L410-R455 WeakPolarHBondContact CD1-O 3.22Å; Q451-R455 PolarHBondContact O-N 3.01Å; I453-R455 VanDerWaalsContact C-N 3.31Å; I453-R455 PolarHBondContact O-N 2.73Å; R455-R457 VanDerWaalsContact C-N 3.31Å
456	H	98.1	Very high	97.2	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	7.8	-177.5	-72.1	-60.3	0	0	0	114	F407 H422 I426 V429 L452 I453 S454	F407-H456 HydrophobicContact CD2-CB 3.93Å; F407-H456 WeakPolarHBondContact CD2-O 3.38Å; F407-H456 HydrophobicContact CE2-CB 3.75Å; F407-H456 AromaticContact CE2-CG 3.95Å; F407-H456 AromaticContact CE2-ND1 3.88Å; H422-H456 AromaticContact CD2-NE2 3.43Å; H422-H456 PolarHBondContact CD2-NE2 2.8Å; H422-H456 AromaticContact NE2-CE1 3.84Å; H422-H456 AromaticContact NE2-NE2 3.13Å; H422-H456 PolarHBondContact NE2-NE2 2.97Å; H422-H456 VanDerWaalsContact NE2-NE2 3.13Å; I426-H456 WeakPolarHBondContact CG1-NE2 3.32Å; V429-H456 HydrophobicContact CB-CB 4.13Å; V429-H456 HydrophobicContact CG1-CB 4.18Å; V429-H456 HydrophobicContact CG2-CB 3.76Å; L452-H456 PolarHBondContact O-CD2 3.46Å; L452-H456 VanDerWaalsContact O-CD2 3.27Å; I453-H456 PolarHBondContact O-N 2.93Å; I453-H456 VanDerWaalsContact O-N 3.07Å; S454-H456 PolarHBondContact O-N 3.18Å; S454-H456 VanDerWaalsContact O-N 3.09Å
457	R	97.7	Very high	97.3	Very high	10 Å²	10	18.5 Å²	18.5	4%	0.038	8%	0.078	C	C	.	.			trans	51.8	51.7	166.2	-57	-74.8	-170.6	-157.6	-0.8	114.4	N330 G367 D369 H403 L406 L410 S454 R455	N330-R457 PolarHBondContact OD1-NH2 3.19Å; G367-R457 PolarHBondContact O-NH2 3.28Å; D369-R457 IonicContact OD1-CZ 2.83Å; D369-R457 IonicContact OD1-NH1 3.25Å; D369-R457 PolarHBondContact OD1-NH1 2.92Å; D369-R457 IonicContact OD1-NH2 3.14Å; D369-R457 PolarHBondContact OD1-NH2 3.07Å; D369-R457 IonicContact OD2-CZ 3.21Å; D369-R457 IonicContact OD2-NH1 3.96Å; D369-R457 IonicContact OD2-NH2 3.96Å; D369-R457 PolarHBondContact OD2-NH2 3.25Å; H403-R457 PolarHBondContact ND1-O 3.04Å; L406-R457 HydrophobicContact CD2-CB 3.8Å; L406-R457 HydrophobicContact CD2-CG 3.85Å; L406-R457 HydrophobicContact CG-CB 4.31Å; L406-R457 HydrophobicContact CG-CG 4.32Å; L410-R457 HydrophobicContact CD1-CB 4.15Å; L410-R457 HydrophobicContact CD1-CG 3.63Å; S454-R457 PolarHBondContact O-N 2.9Å; R455-R457 VanDerWaalsContact C-N 3.31Å
458	P	96.4	Very high	97.2	Very high	10 Å²	10	22.6 Å²	22.6	7%	0.065	10%	0.097	C	C	.	.			trans	-57.6	148.6	174.6	27.1	-34.8	0	0	0	111.1	V429 I440 I453 I462	V429-P458 HydrophobicContact CG1-CB 4.1Å; V429-P458 HydrophobicContact CG2-CB 4.11Å; V429-P458 HydrophobicContact CG2-CG 4.18Å; I440-P458 HydrophobicContact CD1-CB 3.87Å; I440-P458 HydrophobicContact CD1-CG 4.02Å; I453-P458 HydrophobicContact CG2-CG 4.29Å; I453-P458 WeakPolarHBondContact O-CD 3.31Å; P458-I462 HydrophobicContact CG-CD1 3.81Å; P458-I462 HydrophobicContact CG-CG1 3.85Å
459	R	93.9	Very high	97.1	Very high	124 Å²	124	22.7 Å²	22.7	47%	0.468	10%	0.101	S	C	.	.	S	Bend	trans	-67.4	-41.7	174.1	-177.9	179.1	170.8	115.3	-2.8	111.5	N59	N59-R459 PolarHBondContact ND2-O 3.39Å; N59-R459 VanDerWaalsContact ND2-O 3.14Å
460	C	94.3	Very high	97.1	Very high	14 Å²	14	23.7 Å²	23.7	10%	0.095	11%	0.107	C	C	.	.	S	Bend	trans	-77.9	153.7	-180	66.6	0	0	0	0	112.4	A437	A437-C460 WeakPolarHBondContact O-CB 3.26Å
461	P	96.6	Very high	97	Very high	10 Å²	10	25 Å²	25	7%	0.065	11%	0.113	C	C	.	.			trans	-64.3	150.8	175.3	27.7	-37.2	0	0	0	113.1	V57 A438 A439 I440 H482 F514	V57-P461 HydrophobicContact CB-CG 4.33Å; V57-P461 HydrophobicContact CG1-CB 3.77Å; V57-P461 HydrophobicContact CG1-CG 3.98Å; V57-P461 HydrophobicContact CG2-CG 4.39Å; A438-P461 WeakPolarHBondContact O-CD 3.32Å; A439-P461 WeakPolarHBondContact CA-O 3.34Å; A439-P461 HydrophobicContact CB-CG 4.3Å; I440-P461 PolarHBondContact N-O 2.99Å; P461-H482 WeakPolarHBondContact CB-CD2 3.42Å; P461-F514 HydrophobicContact CG-CD2 4.26Å
462	I	98.3	Very high	97	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	93.4	175.7	-50.9	163.5	0	0	0	108.6	I440 V442 C450 I453 P458 T464 G480 V481 H482	I440-I462 CarbonylContact O-C 3.58Å; I440-I462 VanDerWaalsContact O-CA 3.26Å; I440-I462 WeakPolarHBondContact O-CA 3.37Å; V442-I462 HydrophobicContact CG1-CG2 3.59Å; C450-I462 HydrophobicContact CB-CG2 4.31Å; I453-I462 HydrophobicContact CB-CD1 4.16Å; I453-I462 HydrophobicContact CG2-CD1 3.62Å; I453-I462 HydrophobicContact CG2-CG1 3.88Å; I453-I462 HydrophobicContact CG2-CG2 4.32Å; P458-I462 HydrophobicContact CG-CD1 3.81Å; P458-I462 HydrophobicContact CG-CG1 3.85Å; I462-T464 PolarHBondContact O-N 2.99Å; I462-T464 PolarHBondContact O-OG1 3.38Å; I462-G480 WeakPolarHBondContact CA-O 3.39Å; I462-G480 WeakPolarHBondContact CB-O 3.43Å; I462-G480 PolarHBondContact N-O 3.47Å; I462-V481 HydrophobicContact CB-CG2 4.43Å; I462-V481 HydrophobicContact CD1-CG2 4.09Å; I462-H482 PolarHBondContact O-N 3.21Å
463	L	97.7	Very high	97	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	105.9	176	-64.4	-171.1	0	0	0	110.2	A439 I440 I441 V442 H482 I484 Y508 F514 F515	A439-L463 HydrophobicContact CB-CD1 4.22Å; A439-L463 HydrophobicContact CB-CG 4.21Å; I440-L463 PolarHBondContact O-N 3.41Å; I441-L463 WeakPolarHBondContact CA-O 3.46Å; I441-L463 HydrophobicContact CG1-CB 4.18Å; I441-L463 HydrophobicContact CG1-CD1 4.35Å; V442-L463 PolarHBondContact N-O 3.44Å; L463-H482 HydrophobicContact CD2-CB 3.8Å; L463-I484 HydrophobicContact CB-CD1 3.96Å; L463-I484 HydrophobicContact CD1-CD1 4.48Å; L463-I484 HydrophobicContact CD2-CD1 4.24Å; L463-I484 HydrophobicContact CG-CD1 4.46Å; L463-Y508 HydrophobicContact CD2-CD1 4.27Å; L463-Y508 HydrophobicContact CD2-CE1 4.24Å; L463-F514 HydrophobicContact CD2-CD2 3.65Å; L463-F514 HydrophobicContact CD2-CE2 3.66Å; L463-F514 HydrophobicContact CG-CD2 4.5Å; L463-F515 HydrophobicContact CD1-CE1 3.76Å; L463-F515 HydrophobicContact CD1-CZ 4.41Å
464	T	98.2	Very high	97	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	110.6	-171.4	-62	0	0	0	0	111.4	V442 T444 C450 I462 I475 V481 H482 I484	V442-T464 HydrophobicContact CG1-CG2 3.99Å; V442-T464 WeakPolarHBondContact CG1-OG1 3.42Å; V442-T464 WeakPolarHBondContact O-CA 3.42Å; T444-T464 HydrophobicContact CG2-CG2 3.39Å; C450-T464 HydrophobicContact CB-CG2 3.84Å; C450-T464 VanDerWaalsContact CB-OG1 3.28Å; C450-T464 WeakPolarHBondContact CB-OG1 3.49Å; I462-T464 PolarHBondContact O-N 2.99Å; I462-T464 PolarHBondContact O-OG1 3.38Å; T464-I475 HydrophobicContact CG2-CD1 3.49Å; T464-I475 VanDerWaalsContact CG2-CD1 3.49Å; T464-V481 WeakPolarHBondContact OG1-CG1 3.38Å; T464-H482 PolarHBondContact N-O 3.3Å; T464-I484 PolarHBondContact O-N 2.88Å
465	V	97.7	Very high	97	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	126.8	177.9	-172.8	0	0	0	0	110.4	V442 I443 T444 I484 Y486 R501 A505	V442-V465 PolarHBondContact O-N 3.35Å; I443-V465 HydrophobicContact CD1-CB 3.59Å; I443-V465 HydrophobicContact CD1-CG1 4.34Å; I443-V465 HydrophobicContact CD1-CG2 3.72Å; T444-V465 PolarHBondContact N-O 2.96Å; V465-I484 WeakPolarHBondContact CA-O 3.37Å; V465-I484 HydrophobicContact CG2-CB 4.28Å; V465-I484 HydrophobicContact CG2-CD1 4.45Å; V465-I484 HydrophobicContact CG2-CG2 4.4Å; V465-Y486 HydrophobicContact CG1-CG 4.4Å; V465-R501 HydrophobicContact CG1-CB 4.03Å; V465-R501 HydrophobicContact CG1-CG 4.17Å; V465-A505 HydrophobicContact CG2-CB 3.62Å
466	T	97	Very high	97	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	151.4	174.6	-169.5	0	0	0	0	111.9	T444 H468 I471 A472 I484 Y485 Y486	T444-T466 VanDerWaalsContact O-CB 3.25Å; T444-T466 WeakPolarHBondContact O-CB 3.48Å; T444-T466 PolarHBondContact O-OG1 3.38Å; T466-H468 WeakPolarHBondContact CG2-O 3.44Å; T466-H468 PolarHBondContact OG1-N 3.41Å; T466-I471 HydrophobicContact CG2-CB 4.38Å; T466-I471 HydrophobicContact CG2-CG2 4.33Å; T466-A472 HydrophobicContact CG2-CB 3.68Å; T466-I484 PolarHBondContact N-O 2.89Å; T466-Y485 WeakPolarHBondContact O-CA 3.44Å; T466-Y486 PolarHBondContact O-N 2.96Å
467	R	96	Very high	97.1	Very high	44 Å²	44	24.5 Å²	24.5	17%	0.166	11%	0.112	C	C	.	.	S	Bend	trans	-91.1	-7.6	170.8	-63.9	-164.1	159.6	97.1	-10.3	113	Y485 Y486 E488 S489 D497	R467-Y485 WeakPolarHBondContact O-CE2 3.47Å; R467-Y486 HydrophobicContact CG-CD1 4.3Å; R467-Y486 WeakPolarHBondContact CG-O 3.07Å; R467-Y486 VanDerWaalsContact NH2-CE1 3.31Å; R467-E488 PolarHBondContact NE-O 3.35Å; R467-E488 PolarHBondContact NH2-O 2.92Å; R467-S489 PolarHBondContact NH2-O 2.84Å; R467-S489 VanDerWaalsContact NH2-O 3.15Å; R467-D497 IonicContact CZ-OD1 3.83Å; R467-D497 IonicContact CZ-OD2 3.47Å; R467-D497 IonicContact NH1-OD1 2.94Å; R467-D497 PolarHBondContact NH1-OD1 3.42Å; R467-D497 IonicContact NH1-OD2 3.33Å; R467-D497 PolarHBondContact NH1-OD2 2.96Å; R467-D497 IonicContact NH2-OD1 2.64Å; R467-D497 PolarHBondContact NH2-OD1 3.2Å; R467-D497 IonicContact NH2-OD2 3.08Å
468	H	95.2	Very high	97.1	Very high	86 Å²	86	24.9 Å²	24.9	40%	0.398	11%	0.113	S	C	.	.			trans	-96.1	110.8	-178.6	-67.8	-76.5	0	0	0	109.7	T445 T466 V470 I471 A472	T445-H468 WeakPolarHBondContact CG2-NE2 3.44Å; T445-H468 PolarHBondContact O-CD2 3.27Å; T466-H468 WeakPolarHBondContact CG2-O 3.44Å; T466-H468 PolarHBondContact OG1-N 3.41Å; H468-V470 VanDerWaalsContact C-N 3.31Å; H468-V470 PolarHBondContact O-N 2.9Å; H468-I471 HydrophobicContact CB-CB 3.97Å; H468-I471 HydrophobicContact CB-CG1 3.73Å; H468-I471 PolarHBondContact O-N 3.27Å; H468-I471 VanDerWaalsContact O-N 3.14Å; H468-A472 PolarHBondContact O-N 3.06Å
469	E	95.4	Very high	97.2	Very high	102 Å²	102	24.6 Å²	24.6	48%	0.477	11%	0.111	S	C	.	.	H	α-helix	trans	-58.9	-41.9	-177.7	-64.7	-173.9	174.1	0	0	112.8	I471 A472 R473 Y485	E469-I471 VanDerWaalsContact C-N 3.31Å; E469-I471 PolarHBondContact O-N 3.01Å; E469-A472 WeakPolarHBondContact O-CB 3.33Å; E469-A472 PolarHBondContact O-N 3.18Å; E469-R473 WeakPolarHBondContact O-CG 3.29Å; E469-R473 PolarHBondContact O-N 3.28Å; E469-R473 IonicContact OE2-NH1 2.97Å; E469-R473 PolarHBondContact OE2-NH1 2.99Å; E469-Y485 HydrophobicContact CB-CE2 4.3Å; E469-Y485 HydrophobicContact CG-CD2 3.82Å; E469-Y485 HydrophobicContact CG-CE1 4.36Å; E469-Y485 HydrophobicContact CG-CE2 3.28Å
470	V	96.7	Very high	97.4	Very high	31 Å²	31	18.8 Å²	18.8	19%	0.188	9%	0.089	C	C	.	.	H	α-helix	trans	-56.7	-47	176.5	174.9	0	0	0	0	110.5	Y276 H468 A472 R473 Q474	Y276-V470 HydrophobicContact CD2-CG1 3.54Å; Y276-V470 HydrophobicContact CD2-CG2 4.45Å; Y276-V470 HydrophobicContact CE2-CG1 4.17Å; Y276-V470 HydrophobicContact CE2-CG2 4.5Å; Y276-V470 HydrophobicContact CG-CG1 4.3Å; H468-V470 VanDerWaalsContact C-N 3.31Å; H468-V470 PolarHBondContact O-N 2.9Å; V470-A472 PolarHBondContact O-N 3.11Å; V470-R473 PolarHBondContact O-N 3.46Å; V470-Q474 HydrophobicContact CG1-CG 4.24Å; V470-Q474 WeakPolarHBondContact O-CB 3.23Å; V470-Q474 VanDerWaalsContact O-CG 3.29Å; V470-Q474 WeakPolarHBondContact O-CG 3.31Å; V470-Q474 PolarHBondContact O-N 3.35Å
471	I	97.2	Very high	97.6	Very high	27 Å²	27	18.5 Å²	18.5	14%	0.138	9%	0.087	C	C	.	.	H	α-helix	trans	-64.4	-43.3	178.2	-59.8	-56.4	0	0	0	110.4	T466 H468 E469 R473 Q474 I475	T466-I471 HydrophobicContact CG2-CB 4.38Å; T466-I471 HydrophobicContact CG2-CG2 4.33Å; H468-I471 HydrophobicContact CB-CB 3.97Å; H468-I471 HydrophobicContact CB-CG1 3.73Å; H468-I471 PolarHBondContact O-N 3.27Å; H468-I471 VanDerWaalsContact O-N 3.14Å; E469-I471 VanDerWaalsContact C-N 3.31Å; E469-I471 PolarHBondContact O-N 3.01Å; I471-R473 PolarHBondContact O-N 3.39Å; I471-Q474 PolarHBondContact O-N 2.91Å; I471-I475 HydrophobicContact CG2-CG2 3.91Å; I471-I475 VanDerWaalsContact O-CG1 3.27Å; I471-I475 WeakPolarHBondContact O-CG1 3.39Å; I471-I475 WeakPolarHBondContact O-CG2 3.38Å; I471-I475 PolarHBondContact O-N 2.97Å
472	A	97.7	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-58.2	-33.2	176.9	0	0	0	0	0	112.3	P119 T466 H468 E469 V470 P483	P119-A472 HydrophobicContact CB-CB 3.95Å; P119-A472 WeakPolarHBondContact CB-O 3.41Å; P119-A472 HydrophobicContact CG-CB 3.78Å; T466-A472 HydrophobicContact CG2-CB 3.68Å; H468-A472 PolarHBondContact O-N 3.06Å; E469-A472 WeakPolarHBondContact O-CB 3.33Å; E469-A472 PolarHBondContact O-N 3.18Å; V470-A472 PolarHBondContact O-N 3.11Å; A472-P483 HydrophobicContact CB-CB 4.22Å; A472-P483 WeakPolarHBondContact O-CB 3.4Å; A472-P483 VanDerWaalsContact O-CG 3.25Å; A472-P483 WeakPolarHBondContact O-CG 3.28Å
473	R	98.3	Very high	97.5	Very high	28 Å²	28	19.5 Å²	19.5	11%	0.106	9%	0.092	C	C	.	.	H	α-helix	trans	-79.4	-42.6	176.6	-69.4	-173.1	-52.1	-105.1	5.2	112.8	P119 I120 D250 E469 V470 I471 H476	P119-R473 HydrophobicContact CB-CG 4.03Å; I120-R473 WeakPolarHBondContact O-CD 3.33Å; I120-R473 WeakPolarHBondContact O-CG 3.33Å; D250-R473 HydrophobicContact CB-CB 4.49Å; D250-R473 VanDerWaalsContact CG-NE 3.29Å; D250-R473 IonicContact OD1-CZ 2.88Å; D250-R473 VanDerWaalsContact OD1-CZ 3.26Å; D250-R473 IonicContact OD1-NE 3.75Å; D250-R473 PolarHBondContact OD1-NE 3.43Å; D250-R473 IonicContact OD1-NH2 2.69Å; D250-R473 PolarHBondContact OD1-NH2 3.46Å; D250-R473 WeakPolarHBondContact OD2-CB 3.35Å; D250-R473 WeakPolarHBondContact OD2-CD 3.43Å; D250-R473 IonicContact OD2-NE 2.66Å; D250-R473 PolarHBondContact OD2-NE 2.96Å; D250-R473 VanDerWaalsContact OD2-NE 3.14Å; E469-R473 WeakPolarHBondContact O-CG 3.29Å; E469-R473 PolarHBondContact O-N 3.28Å; E469-R473 IonicContact OE2-NH1 2.97Å; E469-R473 PolarHBondContact OE2-NH1 2.99Å; V470-R473 PolarHBondContact O-N 3.46Å; I471-R473 PolarHBondContact O-N 3.39Å; R473-H476 PolarHBondContact O-CD2 2.89Å
474	Q	98.6	Very high	97.5	Very high	8 Å²	8	19.7 Å²	19.7	4%	0.037	9%	0.092	C	C	.	.	H	α-helix	trans	-69	-34.4	-177.3	-73.7	176.8	-12.6	0	0	113.9	D250 Y276 K278 V470 I471 H476 L477	D250-Q474 HydrophobicContact CB-CG 3.87Å; D250-Q474 PolarHBondContact O-NE2 3.27Å; Y276-Q474 PolarHBondContact O-NE2 2.74Å; K278-Q474 HydrophobicContact CG-CB 4.49Å; K278-Q474 HydrophobicContact CG-CG 4.13Å; V470-Q474 HydrophobicContact CG1-CG 4.24Å; V470-Q474 WeakPolarHBondContact O-CB 3.23Å; V470-Q474 VanDerWaalsContact O-CG 3.29Å; V470-Q474 WeakPolarHBondContact O-CG 3.31Å; V470-Q474 PolarHBondContact O-N 3.35Å; I471-Q474 PolarHBondContact O-N 2.91Å; Q474-H476 PolarHBondContact O-N 2.79Å; Q474-H476 VanDerWaalsContact O-N 3.12Å; Q474-L477 WeakPolarHBondContact O-CB 3.41Å; Q474-L477 WeakPolarHBondContact O-CG 3Å; Q474-L477 PolarHBondContact O-N 3.23Å; Q474-L477 VanDerWaalsContact O-N 3.08Å
475	I	98.3	Very high	97.4	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.01	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-70.7	-7.5	-173.6	63.1	-175	0	0	0	114.2	T464 I471 L477 Y478 V481 P483	T464-I475 HydrophobicContact CG2-CD1 3.49Å; T464-I475 VanDerWaalsContact CG2-CD1 3.49Å; I471-I475 HydrophobicContact CG2-CG2 3.91Å; I471-I475 VanDerWaalsContact O-CG1 3.27Å; I471-I475 WeakPolarHBondContact O-CG1 3.39Å; I471-I475 WeakPolarHBondContact O-CG2 3.38Å; I471-I475 PolarHBondContact O-N 2.97Å; I475-L477 PolarHBondContact O-N 3.18Å; I475-Y478 PolarHBondContact O-N 2.99Å; I475-Y478 VanDerWaalsContact O-N 3.09Å; I475-V481 HydrophobicContact CB-CG1 3.83Å; I475-V481 HydrophobicContact CD1-CG1 3.71Å; I475-V481 HydrophobicContact CG1-CG1 3.76Å; I475-P483 HydrophobicContact CD1-CB 3.8Å; I475-P483 HydrophobicContact CG1-CB 3.82Å; I475-P483 HydrophobicContact CG1-CG 4.47Å
476	H	98.6	Very high	97.3	Very high	16 Å²	16	22.6 Å²	22.6	7%	0.074	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-59.3	-19.4	165.8	-77.8	-56.6	0	0	0	113.6	N85 I86 P119 C370 R473 Q474 Y478 P483	N85-H476 HydrophobicContact CB-CB 3.96Å; N85-H476 PolarHBondContact ND2-CE1 2.98Å; N85-H476 PolarHBondContact ND2-ND1 2.65Å; N85-H476 PolarHBondContact O-CD2 2.8Å; I86-H476 HydrophobicContact CD1-CB 4Å; I86-H476 HydrophobicContact CG1-CB 3.9Å; P119-H476 PolarHBondContact O-NE2 3.36Å; C370-H476 PolarHBondContact SG-O 2.82Å; R473-H476 PolarHBondContact O-CD2 2.89Å; Q474-H476 PolarHBondContact O-N 2.79Å; Q474-H476 VanDerWaalsContact O-N 3.12Å; H476-Y478 PolarHBondContact O-N 3.45Å; H476-P483 VanDerWaalsContact CE1-CD 3.41Å; H476-P483 WeakPolarHBondContact CE1-CD 3.42Å; H476-P483 WeakPolarHBondContact CE1-CG 3.14Å; H476-P483 WeakPolarHBondContact NE2-CG 3.43Å
477	L	98.8	Very high	97.1	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.005	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-63.9	-19.3	173.4	-76.6	168	0	0	0	113.3	I86 M251 K278 I280 P335 I337 D369 Q474 I475	I86-L477 HydrophobicContact CD1-CD2 3.99Å; I86-L477 HydrophobicContact CD1-CG 4.13Å; M251-L477 HydrophobicContact CE-CD1 3.8Å; M251-L477 HydrophobicContact CE-CD2 4.41Å; M251-L477 HydrophobicContact CE-CG 3.89Å; M251-L477 HydrophobicContact SD-CD1 3.9Å; M251-L477 HydrophobicContact SD-CD2 3.8Å; M251-L477 HydrophobicContact SD-CG 3.93Å; K278-L477 HydrophobicContact CB-CD1 4.34Å; K278-L477 HydrophobicContact CG-CD1 4.42Å; I280-L477 HydrophobicContact CD1-CD1 3.97Å; I280-L477 HydrophobicContact CD1-CD2 4.27Å; I280-L477 HydrophobicContact CG1-CD2 4.48Å; P335-L477 HydrophobicContact CB-CB 3.93Å; P335-L477 WeakPolarHBondContact CB-O 3.43Å; P335-L477 HydrophobicContact CG-CB 4.08Å; I337-L477 HydrophobicContact CD1-CD2 4.16Å; D369-L477 WeakPolarHBondContact CB-O 3.5Å; Q474-L477 WeakPolarHBondContact O-CB 3.41Å; Q474-L477 WeakPolarHBondContact O-CG 3Å; Q474-L477 PolarHBondContact O-N 3.23Å; Q474-L477 VanDerWaalsContact O-N 3.08Å; I475-L477 PolarHBondContact O-N 3.18Å
478	Y	98.8	Very high	96.9	Very high	17 Å²	17	27.6 Å²	27.6	7%	0.067	14%	0.142	C	C	.	.	S	Bend	trans	-107.2	127.8	-172.5	-64.1	-95.4	0	0	0	110.4	P335 Q451 I475 H476 G480 V481	P335-Y478 HydrophobicContact CB-CE1 4.5Å; P335-Y478 HydrophobicContact CG-CE1 4.2Å; P335-Y478 HydrophobicContact CG-CE2 4.35Å; Q451-Y478 HydrophobicContact CB-CD1 3.95Å; Q451-Y478 HydrophobicContact CB-CE1 3.69Å; Q451-Y478 VanDerWaalsContact CD-CZ 3.47Å; Q451-Y478 HydrophobicContact CG-CD1 3.79Å; Q451-Y478 HydrophobicContact CG-CD2 3.99Å; Q451-Y478 HydrophobicContact CG-CE1 3.45Å; Q451-Y478 VanDerWaalsContact CG-CE1 3.45Å; Q451-Y478 HydrophobicContact CG-CE2 3.7Å; Q451-Y478 HydrophobicContact CG-CG 4.05Å; Q451-Y478 VanDerWaalsContact CG-CZ 3.42Å; Q451-Y478 PolarHBondContact NE2-OH 2.72Å; I475-Y478 PolarHBondContact O-N 2.99Å; I475-Y478 VanDerWaalsContact O-N 3.09Å; H476-Y478 PolarHBondContact O-N 3.45Å; Y478-G480 PolarHBondContact O-N 2.71Å; Y478-V481 WeakPolarHBondContact O-CB 3.41Å; Y478-V481 PolarHBondContact O-N 3.08Å
479	R	98.4	Very high	96.8	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.019	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	138.9	-178.2	-176.2	-179.8	169.8	72.2	6	112.7	N59 T60 D369 E398 M401 S454 V481	N59-R479 HydrophobicContact CB-CG 3.97Å; N59-R479 WeakPolarHBondContact O-CA 3.41Å; T60-R479 PolarHBondContact OG1-NH1 3.05Å; D369-R479 HydrophobicContact CB-CB 4.39Å; D369-R479 VanDerWaalsContact OD1-CB 3.29Å; D369-R479 WeakPolarHBondContact OD1-CB 3.43Å; D369-R479 PolarHBondContact OD1-N 3.41Å; E398-R479 VanDerWaalsContact CG-NH2 3.27Å; E398-R479 IonicContact OE1-NH1 3.42Å; M401-R479 VanDerWaalsContact SD-CZ 3.59Å; M401-R479 PolarHBondContact SD-NH2 2.99Å; S454-R479 WeakPolarHBondContact CB-O 3.4Å; S454-R479 PolarHBondContact OG-N 3.17Å; S454-R479 PolarHBondContact OG-O 2.9Å; R479-V481 PolarHBondContact O-N 2.95Å
480	G	97.1	Very high	96.7	Very high	2 Å²	2	30.4 Å²	30.4	2%	0.021	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	-5.5	176.8	0	0	0	0	0	113.1	N59 I462 Y478 H482	N59-G480 PolarHBondContact O-N 2.9Å; N59-G480 WeakPolarHBondContact OD1-CA 3.47Å; I462-G480 WeakPolarHBondContact CA-O 3.39Å; I462-G480 WeakPolarHBondContact CB-O 3.43Å; I462-G480 PolarHBondContact N-O 3.47Å; Y478-G480 PolarHBondContact O-N 2.71Å; G480-H482 PolarHBondContact O-CD2 2.87Å; G480-H482 VanDerWaalsContact O-CD2 3.26Å; G480-H482 PolarHBondContact O-N 3.19Å
481	V	98.2	Very high	96.4	Very high	7 Å²	7	29.6 Å²	29.6	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	115.4	180	-176.8	0	0	0	0	110	C450 I462 T464 I475 Y478 R479 P483	C450-V481 HydrophobicContact CB-CG1 4.3Å; C450-V481 HydrophobicContact CB-CG2 4.31Å; I462-V481 HydrophobicContact CB-CG2 4.43Å; I462-V481 HydrophobicContact CD1-CG2 4.09Å; T464-V481 WeakPolarHBondContact OG1-CG1 3.38Å; I475-V481 HydrophobicContact CB-CG1 3.83Å; I475-V481 HydrophobicContact CD1-CG1 3.71Å; I475-V481 HydrophobicContact CG1-CG1 3.76Å; Y478-V481 WeakPolarHBondContact O-CB 3.41Å; Y478-V481 PolarHBondContact O-N 3.08Å; R479-V481 PolarHBondContact O-N 2.95Å; V481-P483 WeakPolarHBondContact O-CD 3.37Å
482	H	96.8	Very high	96	Very high	25 Å²	25	32.2 Å²	32.2	12%	0.116	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	106.1	174.1	-69.8	-88.3	0	0	0	109.3	V57 R58 P461 I462 L463 T464 G480	V57-H482 VanDerWaalsContact CG1-CE1 3.45Å; V57-H482 WeakPolarHBondContact CG1-CE1 3.48Å; V57-H482 VanDerWaalsContact CG1-NE2 3.26Å; V57-H482 WeakPolarHBondContact CG1-NE2 3.32Å; R58-H482 PolarHBondContact O-CE1 2.96Å; R58-H482 VanDerWaalsContact O-CE1 3.26Å; R58-H482 PolarHBondContact O-NE2 2.73Å; P461-H482 WeakPolarHBondContact CB-CD2 3.42Å; I462-H482 PolarHBondContact O-N 3.21Å; L463-H482 HydrophobicContact CD2-CB 3.8Å; T464-H482 PolarHBondContact N-O 3.3Å; G480-H482 PolarHBondContact O-CD2 2.87Å; G480-H482 VanDerWaalsContact O-CD2 3.26Å; G480-H482 PolarHBondContact O-N 3.19Å
483	P	97.3	Very high	95.6	Very high	7 Å²	7	37.1 Å²	37.1	5%	0.045	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	135.6	-177.6	28.1	-33.9	0	0	0	111.9	P119 A472 I475 H476 V481	P119-P483 HydrophobicContact CB-CB 4.4Å; P119-P483 HydrophobicContact CB-CG 4.21Å; P119-P483 HydrophobicContact CG-CB 4.12Å; P119-P483 HydrophobicContact CG-CG 4.2Å; A472-P483 HydrophobicContact CB-CB 4.22Å; A472-P483 WeakPolarHBondContact O-CB 3.4Å; A472-P483 VanDerWaalsContact O-CG 3.25Å; A472-P483 WeakPolarHBondContact O-CG 3.28Å; I475-P483 HydrophobicContact CD1-CB 3.8Å; I475-P483 HydrophobicContact CG1-CB 3.82Å; I475-P483 HydrophobicContact CG1-CG 4.47Å; H476-P483 VanDerWaalsContact CE1-CD 3.41Å; H476-P483 WeakPolarHBondContact CE1-CD 3.42Å; H476-P483 WeakPolarHBondContact CE1-CG 3.14Å; H476-P483 WeakPolarHBondContact NE2-CG 3.43Å; V481-P483 WeakPolarHBondContact O-CD 3.37Å
484	I	96.7	Very high	95.2	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	104.9	174	-58.7	175.3	0	0	0	106.9	L463 T464 V465 T466 Y486 Y504 A505 Y508	L463-I484 HydrophobicContact CB-CD1 3.96Å; L463-I484 HydrophobicContact CD1-CD1 4.48Å; L463-I484 HydrophobicContact CD2-CD1 4.24Å; L463-I484 HydrophobicContact CG-CD1 4.46Å; T464-I484 PolarHBondContact O-N 2.88Å; V465-I484 WeakPolarHBondContact CA-O 3.37Å; V465-I484 HydrophobicContact CG2-CB 4.28Å; V465-I484 HydrophobicContact CG2-CD1 4.45Å; V465-I484 HydrophobicContact CG2-CG2 4.4Å; T466-I484 PolarHBondContact N-O 2.89Å; I484-Y486 PolarHBondContact O-N 3.48Å; I484-Y504 HydrophobicContact CG2-CD1 3.45Å; I484-Y504 VanDerWaalsContact CG2-CD1 3.45Å; I484-Y504 HydrophobicContact CG2-CE1 3.35Å; I484-A505 HydrophobicContact CD1-CB 4.06Å; I484-Y508 HydrophobicContact CD1-CD1 3.44Å; I484-Y508 VanDerWaalsContact CD1-CD1 3.44Å; I484-Y508 HydrophobicContact CD1-CD2 4.45Å; I484-Y508 HydrophobicContact CD1-CE1 4.09Å; I484-Y508 HydrophobicContact CD1-CG 3.66Å; I484-Y508 HydrophobicContact CG1-CD1 3.82Å; I484-Y508 HydrophobicContact CG1-CD2 4.26Å; I484-Y508 HydrophobicContact CG1-CE1 4.04Å; I484-Y508 HydrophobicContact CG1-CE2 4.46Å; I484-Y508 HydrophobicContact CG1-CG 3.95Å
485	Y	96	Very high	94.6	Very high	57 Å²	57	43.5 Å²	43.5	22%	0.224	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	123.8	174.3	174.7	-108.9	0	0	0	110.1	P117 T466 R467 E469	P117-Y485 HydrophobicContact CG-CD1 4.49Å; T466-Y485 WeakPolarHBondContact O-CA 3.44Å; R467-Y485 WeakPolarHBondContact O-CE2 3.47Å; E469-Y485 HydrophobicContact CB-CE2 4.3Å; E469-Y485 HydrophobicContact CG-CD2 3.82Å; E469-Y485 HydrophobicContact CG-CE1 4.36Å; E469-Y485 HydrophobicContact CG-CE2 3.28Å
486	Y	95.6	Very high	94.2	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.012	26%	0.255	C	S	.	.			trans	-110.5	99.4	177	-173.9	-105.3	0	0	0	109.8	V465 T466 R467 I484 E488 R501 Y504	V465-Y486 HydrophobicContact CG1-CG 4.4Å; T466-Y486 PolarHBondContact O-N 2.96Å; R467-Y486 HydrophobicContact CG-CD1 4.3Å; R467-Y486 WeakPolarHBondContact CG-O 3.07Å; R467-Y486 VanDerWaalsContact NH2-CE1 3.31Å; I484-Y486 PolarHBondContact O-N 3.48Å; Y486-E488 HydrophobicContact CD1-CB 4.36Å; Y486-E488 HydrophobicContact CE1-CB 3.72Å; Y486-E488 HydrophobicContact CE1-CG 4.47Å; Y486-E488 HydrophobicContact CE2-CB 4.16Å; Y486-E488 HydrophobicContact CE2-CG 4.02Å; Y486-E488 VanDerWaalsContact CZ-OE2 3.31Å; Y486-E488 PolarHBondContact OH-OE2 3.14Å; Y486-R501 HydrophobicContact CD1-CG 3.52Å; Y486-R501 HydrophobicContact CE1-CG 3.55Å; Y486-R501 HydrophobicContact CG-CG 4Å; Y486-Y504 AromaticContact CD2-CD1 3.6Å; Y486-Y504 HydrophobicContact CD2-CD1 3.6Å; Y486-Y504 AromaticContact CD2-CD2 3.95Å; Y486-Y504 HydrophobicContact CD2-CD2 3.95Å; Y486-Y504 HydrophobicContact CD2-CE1 4.03Å; Y486-Y504 HydrophobicContact CD2-CE2 4.36Å; Y486-Y504 AromaticContact CD2-CG 3.53Å; Y486-Y504 HydrophobicContact CD2-CG 3.53Å; Y486-Y504 HydrophobicContact CE2-CD1 4.37Å; Y486-Y504 AromaticContact CE2-CD2 3.99Å; Y486-Y504 HydrophobicContact CE2-CD2 3.99Å; Y486-Y504 AromaticContact CE2-CG 3.84Å; Y486-Y504 HydrophobicContact CE2-CG 3.84Å; Y486-Y504 HydrophobicContact CG-CD1 4.5Å
487	G	92.7	Very high	93.9	Very high	51 Å²	51	46.2 Å²	46.2	53%	0.526	25%	0.252	S	S	.	.			trans	-84.3	-1.9	-175.3	0	0	0	0	0	115.5
488	E	93.6	Very high	93.6	Very high	100 Å²	100	46.5 Å²	46.5	47%	0.467	25%	0.254	S	S	.	.	S	Bend	trans	-75.3	146.1	-178.8	-58.8	-179	-174.2	0	0	112.3	R467 Y486	R467-E488 PolarHBondContact NE-O 3.35Å; R467-E488 PolarHBondContact NH2-O 2.92Å; Y486-E488 HydrophobicContact CD1-CB 4.36Å; Y486-E488 HydrophobicContact CE1-CB 3.72Å; Y486-E488 HydrophobicContact CE1-CG 4.47Å; Y486-E488 HydrophobicContact CE2-CB 4.16Å; Y486-E488 HydrophobicContact CE2-CG 4.02Å; Y486-E488 VanDerWaalsContact CZ-OE2 3.31Å; Y486-E488 PolarHBondContact OH-OE2 3.14Å
489	S	93	Very high	93.3	Very high	106 Å²	106	46 Å²	46	74%	0.741	25%	0.252	S	S	*	.	P	Polyproline II helix	trans	-55.3	156.5	174.3	-61.4	0	0	0	0	112.2	R467	R467-S489 PolarHBondContact NH2-O 2.84Å; R467-S489 VanDerWaalsContact NH2-O 3.15Å
490	R	92.7	Very high	93	Very high	141 Å²	141	50.4 Å²	50.4	53%	0.532	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-67.2	135	175.7	-67.2	178.5	-176.7	-92.5	2.6	110.2	D497	R490-D497 VanDerWaalsContact CA-OD1 3.29Å; R490-D497 WeakPolarHBondContact CA-OD1 3.28Å
491	A	91	Very high	92.9	Very high	15 Å²	15	51.1 Å²	51.1	12%	0.124	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-67.9	159.2	166.2	0	0	0	0	0	110.2	E496 D497	A491-E496 HydrophobicContact CB-CB 4.34Å; A491-E496 HydrophobicContact CB-CG 4.4Å; A491-D497 HydrophobicContact CB-CB 3.92Å; A491-D497 PolarHBondContact N-OD1 3.09Å
492	G	88.6	Confident	92.8	Very high	82 Å²	82	50.8 Å²	50.8	85%	0.845	27%	0.269	S	S	*	.	S	Bend	trans	-64.9	-43.1	179.3	0	0	0	0	0	112.1
493	E	88.8	Confident	92.6	Very high	103 Å²	103	54.6 Å²	54.6	48%	0.481	28%	0.282	S	S	.	.	S	Bend	trans	-91.9	132.9	177.8	-68	-59.4	143.1	0	0	111.7	Y495 E496 D497	E493-Y495 HydrophobicContact CB-CD1 4.02Å; E493-Y495 HydrophobicContact CB-CE1 3.54Å; E493-Y495 HydrophobicContact CB-CE2 4.49Å; E493-Y495 HydrophobicContact CG-CE1 3.84Å; E493-Y495 PolarHBondContact O-N 2.82Å; E493-Y495 WeakPolarHBondContact OE2-CE1 3.45Å; E493-E496 HydrophobicContact CB-CB 4.1Å; E493-E496 PolarHBondContact O-N 2.92Å; E493-D497 PolarHBondContact O-N 3.1Å
494	W	89.2	Confident	92.5	Very high	73 Å²	73	56.6 Å²	56.6	28%	0.277	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-39.5	-175.6	175.1	84.5	0	0	0	113.3	E496 D497 M498 G526 A529 V551	W494-E496 VanDerWaalsContact C-N 3.35Å; W494-D497 PolarHBondContact O-N 3.36Å; W494-M498 HydrophobicContact CH2-CE 3.97Å; W494-M498 HydrophobicContact CZ2-CE 3.26Å; W494-M498 WeakPolarHBondContact O-CB 3.47Å; W494-M498 PolarHBondContact O-N 3.32Å; W494-G526 WeakPolarHBondContact CH2-O 3.4Å; W494-G526 WeakPolarHBondContact CZ2-O 3.28Å; W494-A529 VanDerWaalsContact NE1-N 3.16Å; W494-V551 HydrophobicContact CH2-CG1 4.46Å; W494-V551 HydrophobicContact CZ3-CG1 3.95Å
495	Y	87.1	Confident	92.4	Very high	96 Å²	96	56.4 Å²	56.4	38%	0.376	29%	0.288	S	S	.	.	H	α-helix	trans	-67.7	-39.3	-179.5	62.1	-91.9	0	0	0	110.8	E493 M498 D499 M552	E493-Y495 HydrophobicContact CB-CD1 4.02Å; E493-Y495 HydrophobicContact CB-CE1 3.54Å; E493-Y495 HydrophobicContact CB-CE2 4.49Å; E493-Y495 HydrophobicContact CG-CE1 3.84Å; E493-Y495 PolarHBondContact O-N 2.82Å; E493-Y495 WeakPolarHBondContact OE2-CE1 3.45Å; Y495-M498 PolarHBondContact O-N 3.13Å; Y495-D499 WeakPolarHBondContact O-CB 3.33Å; Y495-D499 PolarHBondContact O-N 2.74Å; Y495-M552 HydrophobicContact CD2-CG 3.58Å; Y495-M552 HydrophobicContact CD2-SD 3.81Å; Y495-M552 HydrophobicContact CE2-CG 4.05Å; Y495-M552 HydrophobicContact CE2-SD 3.59Å; Y495-M552 VanDerWaalsContact CE2-SD 3.59Å; Y495-M552 HydrophobicContact CG-CG 4.3Å
496	E	89.9	Confident	92.3	Very high	72 Å²	72	54.1 Å²	54.1	34%	0.336	28%	0.28	S	S	.	.	H	α-helix	trans	-64.4	-45.2	175.4	-167.8	-169	175.9	0	0	110.7	A491 E493 W494 M498 D499 R500	A491-E496 HydrophobicContact CB-CB 4.34Å; A491-E496 HydrophobicContact CB-CG 4.4Å; E493-E496 HydrophobicContact CB-CB 4.1Å; E493-E496 PolarHBondContact O-N 2.92Å; W494-E496 VanDerWaalsContact C-N 3.35Å; E496-M498 VanDerWaalsContact C-N 3.26Å; E496-M498 PolarHBondContact O-N 3.09Å; E496-D499 PolarHBondContact O-N 2.77Å; E496-R500 WeakPolarHBondContact O-CG 3.49Å; E496-R500 PolarHBondContact O-N 3.37Å; E496-R500 IonicContact OE1-CZ 3.02Å; E496-R500 VanDerWaalsContact OE1-CZ 3.31Å; E496-R500 IonicContact OE1-NE 2.71Å; E496-R500 PolarHBondContact OE1-NE 2.55Å; E496-R500 IonicContact OE1-NH2 2.79Å; E496-R500 PolarHBondContact OE1-NH2 2.88Å; E496-R500 IonicContact OE2-NH2 3.8Å
497	D	92.1	Very high	92.1	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-59.3	-36.9	175.5	-171.3	71.1	0	0	0	112.8	R467 R490 A491 E493 W494 R501	R467-D497 IonicContact CZ-OD1 3.83Å; R467-D497 IonicContact CZ-OD2 3.47Å; R467-D497 IonicContact NH1-OD1 2.94Å; R467-D497 PolarHBondContact NH1-OD1 3.42Å; R467-D497 IonicContact NH1-OD2 3.33Å; R467-D497 PolarHBondContact NH1-OD2 2.96Å; R467-D497 IonicContact NH2-OD1 2.64Å; R467-D497 PolarHBondContact NH2-OD1 3.2Å; R467-D497 IonicContact NH2-OD2 3.08Å; R490-D497 VanDerWaalsContact CA-OD1 3.29Å; R490-D497 WeakPolarHBondContact CA-OD1 3.28Å; A491-D497 HydrophobicContact CB-CB 3.92Å; A491-D497 PolarHBondContact N-OD1 3.09Å; E493-D497 PolarHBondContact O-N 3.1Å; W494-D497 PolarHBondContact O-N 3.36Å; D497-R501 WeakPolarHBondContact O-CG 3.38Å; D497-R501 PolarHBondContact O-N 3.46Å; D497-R501 PolarHBondContact O-NE 3.5Å; D497-R501 IonicContact OD2-CZ 3.71Å; D497-R501 IonicContact OD2-NE 2.69Å; D497-R501 PolarHBondContact OD2-NE 3.46Å; D497-R501 VanDerWaalsContact OD2-NE 3.11Å; D497-R501 IonicContact OD2-NH2 2.7Å; D497-R501 PolarHBondContact OD2-NH2 2.99Å
498	M	92.2	Very high	92.1	Very high	7 Å²	7	55.1 Å²	55.1	3%	0.034	27%	0.272	C	S	.	.	H	α-helix	trans	-70.1	-48.9	176.8	-168.8	65.7	74.7	0	0	111.1	I443 W494 Y495 E496 R500 R501 I502 T525 V551	I443-M498 HydrophobicContact CB-SD 3.92Å; I443-M498 HydrophobicContact CG1-SD 3.72Å; I443-M498 HydrophobicContact CG2-SD 3.83Å; W494-M498 HydrophobicContact CH2-CE 3.97Å; W494-M498 HydrophobicContact CZ2-CE 3.26Å; W494-M498 WeakPolarHBondContact O-CB 3.47Å; W494-M498 PolarHBondContact O-N 3.32Å; Y495-M498 PolarHBondContact O-N 3.13Å; E496-M498 VanDerWaalsContact C-N 3.26Å; E496-M498 PolarHBondContact O-N 3.09Å; M498-R500 VanDerWaalsContact C-N 3.34Å; M498-R500 PolarHBondContact O-N 3.38Å; M498-R501 PolarHBondContact O-N 2.92Å; M498-I502 HydrophobicContact CG-CD1 3.94Å; M498-I502 WeakPolarHBondContact O-CG1 3.36Å; M498-I502 PolarHBondContact O-N 3.12Å; M498-T525 HydrophobicContact CE-CG2 4.36Å; M498-T525 HydrophobicContact CG-CG2 4.03Å; M498-T525 HydrophobicContact SD-CG2 3.67Å; M498-V551 HydrophobicContact CB-CG2 4.04Å; M498-V551 HydrophobicContact CG-CG2 3.63Å
499	D	91.9	Very high	92	Very high	7 Å²	7	50.4 Å²	50.4	4%	0.037	25%	0.25	C	C	.	.	H	α-helix	trans	-57.6	-43.7	178	-105.6	25.7	0	0	0	111.9	Y495 E496 R501 I502 R503 I550 V551	Y495-D499 WeakPolarHBondContact O-CB 3.33Å; Y495-D499 PolarHBondContact O-N 2.74Å; E496-D499 PolarHBondContact O-N 2.77Å; D499-R501 PolarHBondContact O-N 3.48Å; D499-I502 PolarHBondContact O-N 3.19Å; D499-R503 WeakPolarHBondContact O-CB 3.41Å; D499-R503 WeakPolarHBondContact O-CG 3.38Å; D499-R503 PolarHBondContact O-N 3.34Å; D499-R503 IonicContact OD2-CZ 3.22Å; D499-R503 IonicContact OD2-NH1 2.81Å; D499-R503 IonicContact OD2-NH2 3.12Å; D499-R503 PolarHBondContact OD2-NH2 3.21Å; D499-I550 PolarHBondContact OD1-N 3.15Å; D499-I550 PolarHBondContact OD2-N 3.24Å; D499-V551 VanDerWaalsContact OD1-CB 3.28Å; D499-V551 WeakPolarHBondContact OD1-CB 3.13Å; D499-V551 VanDerWaalsContact OD1-CG2 3.22Å; D499-V551 WeakPolarHBondContact OD1-CG2 3.45Å; D499-V551 PolarHBondContact OD1-N 2.7Å
500	R	93.7	Very high	91.9	Very high	97 Å²	97	49.3 Å²	49.3	37%	0.366	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-45	175.8	-72	177	-174.3	-165.9	2.7	112.2	E496 M498 R503 Y504	E496-R500 WeakPolarHBondContact O-CG 3.49Å; E496-R500 PolarHBondContact O-N 3.37Å; E496-R500 IonicContact OE1-CZ 3.02Å; E496-R500 VanDerWaalsContact OE1-CZ 3.31Å; E496-R500 IonicContact OE1-NE 2.71Å; E496-R500 PolarHBondContact OE1-NE 2.55Å; E496-R500 IonicContact OE1-NH2 2.79Å; E496-R500 PolarHBondContact OE1-NH2 2.88Å; E496-R500 IonicContact OE2-NH2 3.8Å; M498-R500 VanDerWaalsContact C-N 3.34Å; M498-R500 PolarHBondContact O-N 3.38Å; R500-R503 PolarHBondContact O-N 2.96Å; R500-Y504 WeakPolarHBondContact O-CB 3.44Å; R500-Y504 PolarHBondContact O-N 3.33Å
501	R	95	Very high	91.7	Very high	17 Å²	17	48.3 Å²	48.3	6%	0.064	23%	0.231	C	C	.	.	H	α-helix	trans	-65.8	-39.3	177.5	-75.4	179	-75.3	163.1	0.3	112.7	I443 V465 Y486 D497 M498 D499 Y504 A505	I443-R501 HydrophobicContact CD1-CB 4.03Å; V465-R501 HydrophobicContact CG1-CB 4.03Å; V465-R501 HydrophobicContact CG1-CG 4.17Å; Y486-R501 HydrophobicContact CD1-CG 3.52Å; Y486-R501 HydrophobicContact CE1-CG 3.55Å; Y486-R501 HydrophobicContact CG-CG 4Å; D497-R501 WeakPolarHBondContact O-CG 3.38Å; D497-R501 PolarHBondContact O-N 3.46Å; D497-R501 PolarHBondContact O-NE 3.5Å; D497-R501 IonicContact OD2-CZ 3.71Å; D497-R501 IonicContact OD2-NE 2.69Å; D497-R501 PolarHBondContact OD2-NE 3.46Å; D497-R501 VanDerWaalsContact OD2-NE 3.11Å; D497-R501 IonicContact OD2-NH2 2.7Å; D497-R501 PolarHBondContact OD2-NH2 2.99Å; M498-R501 PolarHBondContact O-N 2.92Å; D499-R501 PolarHBondContact O-N 3.48Å; R501-Y504 WeakPolarHBondContact O-CB 3.45Å; R501-Y504 PolarHBondContact O-N 3.46Å; R501-A505 PolarHBondContact O-N 3.12Å; R501-A505 VanDerWaalsContact O-N 3.12Å
502	I	94.6	Very high	91.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-47.1	175.2	-65.6	163.4	0	0	0	110	I443 M498 D499 Y504 A505 L506 I523 T525 I550 V551	I443-I502 HydrophobicContact CD1-CG1 4.13Å; I443-I502 HydrophobicContact CG1-CG1 4.22Å; M498-I502 HydrophobicContact CG-CD1 3.94Å; M498-I502 WeakPolarHBondContact O-CG1 3.36Å; M498-I502 PolarHBondContact O-N 3.12Å; D499-I502 PolarHBondContact O-N 3.19Å; I502-Y504 VanDerWaalsContact C-N 3.26Å; I502-Y504 PolarHBondContact O-N 3.48Å; I502-A505 WeakPolarHBondContact O-CB 3.32Å; I502-A505 PolarHBondContact O-N 3.23Å; I502-A505 VanDerWaalsContact O-N 3.08Å; I502-L506 HydrophobicContact CG2-CD1 4.12Å; I502-L506 HydrophobicContact CG2-CG 4.46Å; I502-L506 WeakPolarHBondContact O-CG 3.47Å; I502-L506 PolarHBondContact O-N 3.39Å; I502-I523 HydrophobicContact CD1-CG2 3.86Å; I502-I523 HydrophobicContact CG1-CG2 4.19Å; I502-I523 HydrophobicContact CG2-CD1 3.89Å; I502-T525 HydrophobicContact CD1-CG2 4.22Å; I502-I550 HydrophobicContact CB-CD1 4.26Å; I502-I550 HydrophobicContact CD1-CG2 4.09Å; I502-I550 HydrophobicContact CG2-CD1 3.4Å; I502-I550 HydrophobicContact CG2-CG2 4.34Å; I502-V551 HydrophobicContact CD1-CG2 3.59Å
503	R	93.2	Very high	91.5	Very high	105 Å²	105	51.2 Å²	51.2	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-59.1	-37.5	175.7	-72.6	-174.2	-167.5	98.9	15.1	112.3	D499 R500 L506 D507	D499-R503 WeakPolarHBondContact O-CB 3.41Å; D499-R503 WeakPolarHBondContact O-CG 3.38Å; D499-R503 PolarHBondContact O-N 3.34Å; D499-R503 IonicContact OD2-CZ 3.22Å; D499-R503 IonicContact OD2-NH1 2.81Å; D499-R503 IonicContact OD2-NH2 3.12Å; D499-R503 PolarHBondContact OD2-NH2 3.21Å; R500-R503 PolarHBondContact O-N 2.96Å; R503-L506 WeakPolarHBondContact O-CB 3.38Å; R503-L506 PolarHBondContact O-N 3.5Å; R503-D507 PolarHBondContact O-N 2.89Å
504	Y	94.4	Very high	91.5	Very high	48 Å²	48	47.9 Å²	47.9	19%	0.188	21%	0.212	C	C	.	.	H	α-helix	trans	-62.2	-42	174.2	-168.6	-104.2	0	0	0	112.5	F116 I484 Y486 R500 R501 I502 L506 D507 Y508	F116-Y504 HydrophobicContact CD1-CE1 4.33Å; F116-Y504 HydrophobicContact CD1-CE2 4.26Å; F116-Y504 AromaticContact CD1-CZ 3.75Å; F116-Y504 WeakPolarHBondContact CD1-OH 3.45Å; F116-Y504 HydrophobicContact CE1-CE1 4.4Å; F116-Y504 AromaticContact CE1-CE2 3.88Å; F116-Y504 HydrophobicContact CE1-CE2 3.88Å; F116-Y504 AromaticContact CE1-CZ 3.79Å; I484-Y504 HydrophobicContact CG2-CD1 3.45Å; I484-Y504 VanDerWaalsContact CG2-CD1 3.45Å; I484-Y504 HydrophobicContact CG2-CE1 3.35Å; Y486-Y504 AromaticContact CD2-CD1 3.6Å; Y486-Y504 HydrophobicContact CD2-CD1 3.6Å; Y486-Y504 AromaticContact CD2-CD2 3.95Å; Y486-Y504 HydrophobicContact CD2-CD2 3.95Å; Y486-Y504 HydrophobicContact CD2-CE1 4.03Å; Y486-Y504 HydrophobicContact CD2-CE2 4.36Å; Y486-Y504 AromaticContact CD2-CG 3.53Å; Y486-Y504 HydrophobicContact CD2-CG 3.53Å; Y486-Y504 HydrophobicContact CE2-CD1 4.37Å; Y486-Y504 AromaticContact CE2-CD2 3.99Å; Y486-Y504 HydrophobicContact CE2-CD2 3.99Å; Y486-Y504 AromaticContact CE2-CG 3.84Å; Y486-Y504 HydrophobicContact CE2-CG 3.84Å; Y486-Y504 HydrophobicContact CG-CD1 4.5Å; R500-Y504 WeakPolarHBondContact O-CB 3.44Å; R500-Y504 PolarHBondContact O-N 3.33Å; R501-Y504 WeakPolarHBondContact O-CB 3.45Å; R501-Y504 PolarHBondContact O-N 3.46Å; I502-Y504 VanDerWaalsContact C-N 3.26Å; I502-Y504 PolarHBondContact O-N 3.48Å; Y504-L506 VanDerWaalsContact C-N 3.33Å; Y504-L506 PolarHBondContact O-N 3.08Å; Y504-D507 PolarHBondContact O-N 3.06Å; Y504-Y508 WeakPolarHBondContact O-CB 3.49Å; Y504-Y508 PolarHBondContact O-N 3.24Å
505	A	95.1	Very high	91.4	Very high	0 Å²	0	45 Å²	45	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63.9	-38.2	173.1	0	0	0	0	0	112.6	I441 V465 I484 R501 I502 Y508 G509	I441-A505 HydrophobicContact CD1-CB 4.2Å; I441-A505 HydrophobicContact CG1-CB 4.24Å; I441-A505 HydrophobicContact CG2-CB 3.68Å; V465-A505 HydrophobicContact CG2-CB 3.62Å; I484-A505 HydrophobicContact CD1-CB 4.06Å; R501-A505 PolarHBondContact O-N 3.12Å; R501-A505 VanDerWaalsContact O-N 3.12Å; I502-A505 WeakPolarHBondContact O-CB 3.32Å; I502-A505 PolarHBondContact O-N 3.23Å; I502-A505 VanDerWaalsContact O-N 3.08Å; A505-Y508 PolarHBondContact O-N 2.89Å; A505-G509 PolarHBondContact O-N 2.98Å
506	L	93.4	Very high	91.1	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-63.9	-47.6	176.7	-67.5	170.1	0	0	0	111.4	I441 I502 R503 Y504 G509 K510 F515 V521 L542 A545 I550	I441-L506 HydrophobicContact CD1-CD2 3.56Å; I441-L506 HydrophobicContact CD1-CG 4.02Å; I502-L506 HydrophobicContact CG2-CD1 4.12Å; I502-L506 HydrophobicContact CG2-CG 4.46Å; I502-L506 WeakPolarHBondContact O-CG 3.47Å; I502-L506 PolarHBondContact O-N 3.39Å; R503-L506 WeakPolarHBondContact O-CB 3.38Å; R503-L506 PolarHBondContact O-N 3.5Å; Y504-L506 VanDerWaalsContact C-N 3.33Å; Y504-L506 PolarHBondContact O-N 3.08Å; L506-G509 PolarHBondContact O-N 3.23Å; L506-K510 WeakPolarHBondContact O-CG 3.5Å; L506-K510 PolarHBondContact O-N 3.21Å; L506-F515 HydrophobicContact CD2-CE2 4.43Å; L506-F515 HydrophobicContact CD2-CZ 4.21Å; L506-V521 HydrophobicContact CD2-CG2 4.41Å; L506-L542 HydrophobicContact CD2-CD2 3.45Å; L506-L542 VanDerWaalsContact CD2-CD2 3.45Å; L506-A545 HydrophobicContact CD1-CB 3.69Å; L506-I550 HydrophobicContact CD1-CD1 3.78Å
507	D	92.1	Very high	90.7	Very high	57 Å²	57	45.8 Å²	45.8	31%	0.305	23%	0.226	S	C	.	.	H	α-helix	trans	-61.9	-42.5	175.5	-179.4	54.1	0	0	0	111.8	F116 R503 Y504 K510 K511	F116-D507 WeakPolarHBondContact CZ-OD2 3.41Å; R503-D507 PolarHBondContact O-N 2.89Å; Y504-D507 PolarHBondContact O-N 3.06Å; D507-K510 PolarHBondContact O-N 3.18Å; D507-K511 VanDerWaalsContact CG-NZ 3.34Å; D507-K511 WeakPolarHBondContact O-CB 3.39Å; D507-K511 WeakPolarHBondContact O-CG 3.36Å; D507-K511 PolarHBondContact O-N 3.12Å; D507-K511 WeakPolarHBondContact OD1-CE 3.36Å; D507-K511 IonicContact OD1-NZ 3.65Å; D507-K511 PolarHBondContact OD1-NZ 2.99Å; D507-K511 WeakPolarHBondContact OD2-CE 3.25Å; D507-K511 IonicContact OD2-NZ 3.59Å; D507-K511 PolarHBondContact OD2-NZ 3.3Å
508	Y	93	Very high	90.4	Very high	19 Å²	19	46.9 Å²	46.9	8%	0.075	24%	0.239	C	C	.	.	H	α-helix	trans	-57.5	-51.6	173.9	179.1	-88.8	0	0	0	111.8	F116 L463 I484 Y504 A505 K510 K511 R512 F514	F116-Y508 HydrophobicContact CB-CD2 4.07Å; F116-Y508 HydrophobicContact CB-CE2 4.06Å; F116-Y508 AromaticContact CD1-CD2 3.92Å; F116-Y508 HydrophobicContact CD1-CD2 3.92Å; F116-Y508 AromaticContact CD2-CD2 3.69Å; F116-Y508 HydrophobicContact CD2-CD2 3.69Å; F116-Y508 HydrophobicContact CD2-CE2 4.15Å; F116-Y508 HydrophobicContact CE1-CD2 4.25Å; F116-Y508 HydrophobicContact CE2-CD2 4.02Å; F116-Y508 AromaticContact CG-CD2 3.62Å; F116-Y508 HydrophobicContact CG-CD2 3.62Å; F116-Y508 HydrophobicContact CG-CE2 4.08Å; F116-Y508 HydrophobicContact CZ-CD2 4.29Å; L463-Y508 HydrophobicContact CD2-CD1 4.27Å; L463-Y508 HydrophobicContact CD2-CE1 4.24Å; I484-Y508 HydrophobicContact CD1-CD1 3.44Å; I484-Y508 VanDerWaalsContact CD1-CD1 3.44Å; I484-Y508 HydrophobicContact CD1-CD2 4.45Å; I484-Y508 HydrophobicContact CD1-CE1 4.09Å; I484-Y508 HydrophobicContact CD1-CG 3.66Å; I484-Y508 HydrophobicContact CG1-CD1 3.82Å; I484-Y508 HydrophobicContact CG1-CD2 4.26Å; I484-Y508 HydrophobicContact CG1-CE1 4.04Å; I484-Y508 HydrophobicContact CG1-CE2 4.46Å; I484-Y508 HydrophobicContact CG1-CG 3.95Å; Y504-Y508 WeakPolarHBondContact O-CB 3.49Å; Y504-Y508 PolarHBondContact O-N 3.24Å; A505-Y508 PolarHBondContact O-N 2.89Å; Y508-K510 PolarHBondContact O-N 2.97Å; Y508-K511 PolarHBondContact O-N 3.01Å; Y508-R512 HydrophobicContact CD1-CG 4.23Å; Y508-R512 HydrophobicContact CE1-CG 3.83Å; Y508-R512 HydrophobicContact CE2-CG 4.19Å; Y508-R512 WeakPolarHBondContact O-CB 3.48Å; Y508-R512 VanDerWaalsContact O-CG 3.31Å; Y508-R512 WeakPolarHBondContact O-CG 3.36Å; Y508-R512 PolarHBondContact O-N 3.21Å; Y508-F514 HydrophobicContact CE1-CE2 4.2Å
509	G	91.8	Very high	90.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-39.5	-179	0	0	0	0	0	112.9	A505 L506 R512 S513 F514	A505-G509 PolarHBondContact O-N 2.98Å; L506-G509 PolarHBondContact O-N 3.23Å; G509-R512 CarbonylContact O-C 3.58Å; G509-R512 PolarHBondContact O-N 3.45Å; G509-S513 PolarHBondContact O-N 3.23Å; G509-S513 VanDerWaalsContact O-N 3.07Å; G509-F514 PolarHBondContact O-N 2.99Å
510	K	89.4	Confident	90.5	Very high	83 Å²	83	52.4 Å²	52.4	36%	0.361	27%	0.267	S	S	.	.	H	α-helix	trans	-61.7	-51.8	173.9	-72.5	174.2	-176.9	-179.8	0	112.1	L506 D507 Y508 R512 S513 F515 E546	L506-K510 WeakPolarHBondContact O-CG 3.5Å; L506-K510 PolarHBondContact O-N 3.21Å; D507-K510 PolarHBondContact O-N 3.18Å; Y508-K510 PolarHBondContact O-N 2.97Å; K510-R512 PolarHBondContact O-N 3.27Å; K510-S513 PolarHBondContact O-N 3.44Å; K510-F515 HydrophobicContact CG-CD2 4.27Å; K510-F515 HydrophobicContact CG-CE2 3.8Å; K510-E546 WeakPolarHBondContact CE-OE1 3.43Å; K510-E546 VanDerWaalsContact NZ-CD 3.29Å; K510-E546 IonicContact NZ-OE1 3.91Å; K510-E546 PolarHBondContact NZ-OE1 3Å
511	K	89.4	Confident	90.6	Very high	121 Å²	121	47.8 Å²	47.8	53%	0.526	25%	0.25	S	C	.	.	H	α-helix	trans	-63.9	-26.8	-179.9	-77	170.3	177.7	163.8	0	112.8	F116 D507 Y508	F116-K511 HydrophobicContact CE2-CB 3.91Å; F116-K511 HydrophobicContact CE2-CD 3.42Å; F116-K511 VanDerWaalsContact CE2-CD 3.42Å; F116-K511 HydrophobicContact CE2-CG 4.3Å; F116-K511 HydrophobicContact CZ-CD 3.59Å; D507-K511 VanDerWaalsContact CG-NZ 3.34Å; D507-K511 WeakPolarHBondContact O-CB 3.39Å; D507-K511 WeakPolarHBondContact O-CG 3.36Å; D507-K511 PolarHBondContact O-N 3.12Å; D507-K511 WeakPolarHBondContact OD1-CE 3.36Å; D507-K511 IonicContact OD1-NZ 3.65Å; D507-K511 PolarHBondContact OD1-NZ 2.99Å; D507-K511 WeakPolarHBondContact OD2-CE 3.25Å; D507-K511 IonicContact OD2-NZ 3.59Å; D507-K511 PolarHBondContact OD2-NZ 3.3Å; Y508-K511 PolarHBondContact O-N 3.01Å
512	R	87.7	Confident	90.7	Very high	65 Å²	65	47 Å²	47	25%	0.245	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-1.3	173.1	-68.1	-66.2	-166.1	149.1	6.6	114	R118 Y508 G509 K510 F514	R118-R512 VanDerWaalsContact CZ-NH1 3.35Å; R118-R512 VanDerWaalsContact CZ-NH2 3.32Å; Y508-R512 HydrophobicContact CD1-CG 4.23Å; Y508-R512 HydrophobicContact CE1-CG 3.83Å; Y508-R512 HydrophobicContact CE2-CG 4.19Å; Y508-R512 WeakPolarHBondContact O-CB 3.48Å; Y508-R512 VanDerWaalsContact O-CG 3.31Å; Y508-R512 WeakPolarHBondContact O-CG 3.36Å; Y508-R512 PolarHBondContact O-N 3.21Å; G509-R512 CarbonylContact O-C 3.58Å; G509-R512 PolarHBondContact O-N 3.45Å; K510-R512 PolarHBondContact O-N 3.27Å; R512-F514 HydrophobicContact CB-CD1 3.52Å; R512-F514 HydrophobicContact CB-CE1 3.54Å; R512-F514 HydrophobicContact CB-CG 4.1Å; R512-F514 HydrophobicContact CB-CZ 4.11Å; R512-F514 HydrophobicContact CG-CE1 4.36Å; R512-F514 WeakPolarHBondContact O-CD1 3.43Å; R512-F514 PolarHBondContact O-N 3.26Å
513	S	87.6	Confident	90.8	Very high	93 Å²	93	47 Å²	47	65%	0.65	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	35.3	-175.8	-54.1	0	0	0	0	113.4	G509 K510 F515	G509-S513 PolarHBondContact O-N 3.23Å; G509-S513 VanDerWaalsContact O-N 3.07Å; K510-S513 PolarHBondContact O-N 3.44Å; S513-F515 VanDerWaalsContact C-N 3.32Å
514	F	88.1	Confident	91	Very high	32 Å²	32	42.1 Å²	42.1	14%	0.14	23%	0.228	C	C	.	.	S	Bend	trans	-76.3	-24	177.4	-74.9	10.9	0	0	0	112.3	V57 P461 L463 Y508 G509 R512	V57-F514 HydrophobicContact CB-CE1 4.35Å; V57-F514 HydrophobicContact CG1-CD1 4.45Å; V57-F514 HydrophobicContact CG1-CD2 4.3Å; V57-F514 HydrophobicContact CG1-CE1 3.99Å; V57-F514 HydrophobicContact CG1-CE2 3.84Å; V57-F514 HydrophobicContact CG1-CZ 3.67Å; V57-F514 HydrophobicContact CG2-CB 4.21Å; V57-F514 HydrophobicContact CG2-CD1 3.33Å; V57-F514 HydrophobicContact CG2-CD2 4.12Å; V57-F514 HydrophobicContact CG2-CE1 3.56Å; V57-F514 HydrophobicContact CG2-CE2 4.33Å; V57-F514 HydrophobicContact CG2-CG 3.64Å; V57-F514 HydrophobicContact CG2-CZ 4.08Å; P461-F514 HydrophobicContact CG-CD2 4.26Å; L463-F514 HydrophobicContact CD2-CD2 3.65Å; L463-F514 HydrophobicContact CD2-CE2 3.66Å; L463-F514 HydrophobicContact CG-CD2 4.5Å; Y508-F514 HydrophobicContact CE1-CE2 4.2Å; G509-F514 PolarHBondContact O-N 2.99Å; R512-F514 HydrophobicContact CB-CD1 3.52Å; R512-F514 HydrophobicContact CB-CE1 3.54Å; R512-F514 HydrophobicContact CB-CG 4.1Å; R512-F514 HydrophobicContact CB-CZ 4.11Å; R512-F514 HydrophobicContact CG-CE1 4.36Å; R512-F514 WeakPolarHBondContact O-CD1 3.43Å; R512-F514 PolarHBondContact O-N 3.26Å
515	F	87.3	Confident	91.1	Very high	13 Å²	13	39.9 Å²	39.9	6%	0.057	22%	0.22	C	C	.	.			trans	-151.4	154.5	177.6	40.8	-105.8	0	0	0	111.7	A438 A439 L463 L506 K510 S513 V521 L542	A438-F515 HydrophobicContact CB-CB 3.54Å; A438-F515 HydrophobicContact CB-CG 4.49Å; A439-F515 HydrophobicContact CB-CD1 4.13Å; A439-F515 HydrophobicContact CB-CE1 4.18Å; L463-F515 HydrophobicContact CD1-CE1 3.76Å; L463-F515 HydrophobicContact CD1-CZ 4.41Å; L506-F515 HydrophobicContact CD2-CE2 4.43Å; L506-F515 HydrophobicContact CD2-CZ 4.21Å; K510-F515 HydrophobicContact CG-CD2 4.27Å; K510-F515 HydrophobicContact CG-CE2 3.8Å; S513-F515 VanDerWaalsContact C-N 3.32Å; F515-V521 HydrophobicContact CD1-CG1 4.43Å; F515-L542 HydrophobicContact CB-CD1 3.82Å; F515-L542 HydrophobicContact CD2-CD1 3.34Å; F515-L542 HydrophobicContact CD2-CD2 3.98Å; F515-L542 HydrophobicContact CD2-CG 4.33Å; F515-L542 HydrophobicContact CE2-CD1 4.06Å; F515-L542 HydrophobicContact CE2-CD2 3.83Å; F515-L542 HydrophobicContact CG-CD1 3.77Å; F515-L542 HydrophobicContact CZ-CD2 4.43Å
516	S	80.6	Confident	90.9	Very high	77 Å²	77	40.2 Å²	40.2	54%	0.538	22%	0.223	S	C	.	.			trans	-107.7	161.7	178.2	-64.5	0	0	0	0	110.7	C519 L542	S516-C519 PolarHBondContact O-N 2.87Å; S516-C519 PolarHBondContact O-SG 3.38Å; S516-C519 VanDerWaalsContact O-SG 3.33Å; S516-L542 VanDerWaalsContact O-CD1 3.23Å; S516-L542 WeakPolarHBondContact O-CD1 3.07Å
517	P	82.2	Confident	90.6	Very high	108 Å²	108	46.9 Å²	46.9	70%	0.701	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	146.3	168.9	-25.8	35.2	0	0	0	111.6	C519	P517-C519 VanDerWaalsContact C-N 3.35Å; P517-C519 PolarHBondContact O-N 3.38Å
518	G	85.8	Confident	90.3	Very high	27 Å²	27	49.2 Å²	49.2	28%	0.278	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.8	-19.1	-178.9	0	0	0	0	0	116	E543	G518-E543 VanDerWaalsContact CA-OE1 3.29Å; G518-E543 WeakPolarHBondContact CA-OE1 3.47Å; G518-E543 PolarHBondContact N-OE1 2.92Å
519	C	91.8	Very high	90	Very high	43 Å²	43	51.1 Å²	51.1	29%	0.291	28%	0.275	S	S	.	.			trans	-71.7	157.2	179	-57.3	0	0	0	0	112.8	A438 S516 P517 L542	A438-C519 HydrophobicContact CB-CB 3.88Å; S516-C519 PolarHBondContact O-N 2.87Å; S516-C519 PolarHBondContact O-SG 3.38Å; S516-C519 VanDerWaalsContact O-SG 3.33Å; P517-C519 VanDerWaalsContact C-N 3.35Å; P517-C519 PolarHBondContact O-N 3.38Å; C519-L542 HydrophobicContact CB-CD1 3.96Å; C519-L542 WeakPolarHBondContact O-CG 3.46Å; C519-L542 PolarHBondContact O-N 2.77Å
520	F	94.4	Very high	89.6	Confident	86 Å²	86	53.1 Å²	53.1	38%	0.377	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	146.8	168.8	-67.2	-80.1	0	0	0	111.3	C435 A437 A438 V539 V540 K541	C435-F520 HydrophobicContact CB-CB 4.37Å; C435-F520 HydrophobicContact CB-CD2 4.23Å; C435-F520 HydrophobicContact CB-CG 4.27Å; A437-F520 CarbonylContact C-O 3.38Å; A437-F520 VanDerWaalsContact CA-O 3.32Å; A437-F520 WeakPolarHBondContact CA-O 3.43Å; A438-F520 PolarHBondContact N-O 3.43Å; F520-V539 HydrophobicContact CD1-CG1 3.94Å; F520-V540 WeakPolarHBondContact CA-O 3.09Å; F520-K541 HydrophobicContact CD1-CB 4.3Å; F520-K541 HydrophobicContact CE1-CB 4.13Å; F520-K541 HydrophobicContact CE1-CG 4.47Å
521	V	95.4	Very high	89.4	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.2	166	-66.3	0	0	0	0	109.7	A439 I441 L506 F515 I523 V540 L542	A439-V521 HydrophobicContact CB-CG1 4.41Å; A439-V521 WeakPolarHBondContact O-CA 3.27Å; I441-V521 HydrophobicContact CD1-CB 4.5Å; I441-V521 HydrophobicContact CD1-CG2 4.41Å; L506-V521 HydrophobicContact CD2-CG2 4.41Å; F515-V521 HydrophobicContact CD1-CG1 4.43Å; V521-I523 HydrophobicContact CG2-CD1 4.44Å; V521-I523 HydrophobicContact CG2-CG1 4.29Å; V521-V540 HydrophobicContact CG2-CB 4.33Å; V521-V540 PolarHBondContact N-O 2.82Å; V521-V540 PolarHBondContact O-N 2.89Å; V521-L542 HydrophobicContact CG1-CD1 4.49Å; V521-L542 HydrophobicContact CG1-CD2 3.75Å; V521-L542 HydrophobicContact CG1-CG 4.12Å; V521-L542 HydrophobicContact CG2-CD2 4.04Å
522	I	97.2	Very high	89.4	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.2	171.3	-51.5	-56.4	0	0	0	108.3	A428 A431 A432 A437 A439 I440 I441 V524 L537 R538 V539	A428-I522 HydrophobicContact CB-CG2 4.08Å; A431-I522 HydrophobicContact CB-CD1 3.88Å; A432-I522 HydrophobicContact CB-CG1 3.79Å; A437-I522 HydrophobicContact CB-CD1 4.26Å; A437-I522 HydrophobicContact CB-CG1 3.87Å; A439-I522 PolarHBondContact O-N 3.02Å; I440-I522 CarbonylContact C-O 3.58Å; I440-I522 WeakPolarHBondContact CA-O 3.29Å; I440-I522 HydrophobicContact CB-CB 4.47Å; I440-I522 HydrophobicContact CG1-CB 4.04Å; I440-I522 HydrophobicContact CG1-CG1 4.31Å; I440-I522 HydrophobicContact CG2-CB 4.36Å; I440-I522 HydrophobicContact CG2-CG2 4.49Å; I441-I522 PolarHBondContact N-O 3.4Å; I522-V524 HydrophobicContact CG2-CG2 4.19Å; I522-L537 HydrophobicContact CG2-CD1 4.31Å; I522-L537 HydrophobicContact CG2-CG 4.01Å; I522-R538 CarbonylContact C-O 3.6Å; I522-R538 WeakPolarHBondContact CA-O 3.12Å; I522-V539 HydrophobicContact CD1-CB 4.28Å; I522-V539 HydrophobicContact CD1-CG1 4.08Å; I522-V539 HydrophobicContact CD1-CG2 3.81Å
523	I	97.1	Very high	89.6	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	122.2	179.6	-57.5	177.6	0	0	0	108.5	I441 I502 V521 T525 L537 R538 V540 I550	I441-I523 HydrophobicContact CB-CG1 4.46Å; I441-I523 WeakPolarHBondContact O-CA 3.36Å; I502-I523 HydrophobicContact CD1-CG2 3.86Å; I502-I523 HydrophobicContact CG1-CG2 4.19Å; I502-I523 HydrophobicContact CG2-CD1 3.89Å; V521-I523 HydrophobicContact CG2-CD1 4.44Å; V521-I523 HydrophobicContact CG2-CG1 4.29Å; I523-T525 HydrophobicContact CG2-CG2 4.06Å; I523-L537 CarbonylContact O-C 3.57Å; I523-L537 WeakPolarHBondContact O-CA 3.48Å; I523-R538 HydrophobicContact CB-CB 4.47Å; I523-R538 PolarHBondContact N-O 2.82Å; I523-R538 PolarHBondContact O-N 3.31Å; I523-V540 HydrophobicContact CD1-CB 4.17Å; I523-V540 HydrophobicContact CD1-CG2 3.82Å; I523-V540 HydrophobicContact CG1-CG2 4.49Å; I523-I550 HydrophobicContact CD1-CG2 3.56Å
524	V	97.6	Very high	90	Very high	2 Å²	2	44 Å²	44	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	117.2	-178.7	-177.3	0	0	0	0	110.3	T424 A428 I440 I441 V442 I443 I453 I522 T534 T536	T424-V524 HydrophobicContact CG2-CG1 4.08Å; A428-V524 HydrophobicContact CB-CG2 3.68Å; I440-V524 HydrophobicContact CG2-CG2 4.06Å; I441-V524 PolarHBondContact O-N 2.8Å; V442-V524 HydrophobicContact CB-CB 4.36Å; V442-V524 HydrophobicContact CG2-CB 4.22Å; V442-V524 HydrophobicContact CG2-CG1 4.33Å; I443-V524 PolarHBondContact N-O 3.32Å; I453-V524 HydrophobicContact CD1-CB 4.31Å; I453-V524 HydrophobicContact CD1-CG1 4.34Å; I453-V524 HydrophobicContact CD1-CG2 4.13Å; I522-V524 HydrophobicContact CG2-CG2 4.19Å; V524-T534 HydrophobicContact CG1-CG2 3.6Å; V524-T536 WeakPolarHBondContact CA-O 3.47Å
525	T	95.2	Very high	90.3	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	169	-178.9	61.7	0	0	0	0	111.8	I443 M498 I502 I523 N535 T536	I443-T525 HydrophobicContact CG1-CG2 4.04Å; M498-T525 HydrophobicContact CE-CG2 4.36Å; M498-T525 HydrophobicContact CG-CG2 4.03Å; M498-T525 HydrophobicContact SD-CG2 3.67Å; I502-T525 HydrophobicContact CD1-CG2 4.22Å; I523-T525 HydrophobicContact CG2-CG2 4.06Å; T525-N535 PolarHBondContact O-N 2.92Å; T525-N535 VanDerWaalsContact O-N 3.12Å; T525-T536 PolarHBondContact N-O 3.46Å; T525-T536 PolarHBondContact O-N 3.34Å; T525-T536 WeakPolarHBondContact OG1-CB 3.38Å
526	G	91.8	Very high	90.7	Very high	6 Å²	6	46.4 Å²	46.4	6%	0.062	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	166.7	165.8	0	0	0	0	0	112.1	W494 S533	W494-G526 WeakPolarHBondContact CH2-O 3.4Å; W494-G526 WeakPolarHBondContact CZ2-O 3.28Å; G526-S533 WeakPolarHBondContact CA-O 3.22Å
527	W	87.9	Confident	91.3	Very high	150 Å²	150	45.5 Å²	45.5	57%	0.568	28%	0.283	S	S	*	.	S	Bend	trans	-84.9	-14.1	178.3	67.9	-88.7	0	0	0	114.3	S533 N535	W527-S533 VanDerWaalsContact CD1-O 3.29Å; W527-S533 PolarHBondContact N-O 3.3Å; W527-N535 WeakPolarHBondContact CB-OD1 3.45Å; W527-N535 PolarHBondContact N-OD1 2.98Å
528	K	86.2	Confident	91.9	Very high	106 Å²	106	43.6 Å²	43.6	46%	0.461	26%	0.262	S	S	.	.	S	Bend	trans	-140.6	163.5	178.5	65.9	168.9	-180	-178	0	112.6	S533	K528-S533 PolarHBondContact O-OG 3.11Å
529	A	85.1	Confident	92.4	Very high	59 Å²	59	45.8 Å²	45.8	49%	0.488	27%	0.27	S	S	.	.	S	Bend	trans	-60	152.1	170.7	0	0	0	0	0	112.1	W494	W494-A529 VanDerWaalsContact NE1-N 3.16Å
530	G	83.8	Confident	92.4	Very high	42 Å²	42	44.7 Å²	44.7	43%	0.433	26%	0.262	S	S	.	.	S	Bend	trans	103.7	-161.6	178.6	0	0	0	0	0	113.6	T445	T445-G530 PolarHBondContact OG1-O 2.97Å
531	S	86.3	Confident	92.3	Very high	79 Å²	79	44 Å²	44	55%	0.552	26%	0.259	S	S	*	.	S	Bend	trans	-101.3	162.2	173.8	54.4	0	0	0	0	110.9	S533	S531-S533 PolarHBondContact O-N 3.01Å
532	G	88.6	Confident	91.9	Very high	72 Å²	72	44.1 Å²	44.1	74%	0.742	26%	0.259	S	S	*	.	S	Bend	trans	80.6	9.4	169.1	0	0	0	0	0	116.9
533	S	91.4	Very high	91.2	Very high	6 Å²	6	48.2 Å²	48.2	4%	0.042	28%	0.279	C	S	.	.			trans	-109	9.8	-176.2	58.2	0	0	0	0	114.9	G526 W527 K528 S531 N535	G526-S533 WeakPolarHBondContact CA-O 3.22Å; W527-S533 VanDerWaalsContact CD1-O 3.29Å; W527-S533 PolarHBondContact N-O 3.3Å; K528-S533 PolarHBondContact O-OG 3.11Å; S531-S533 PolarHBondContact O-N 3.01Å; S533-N535 PolarHBondContact O-N 3.4Å; S533-N535 PolarHBondContact O-OD1 3.41Å
534	T	95.6	Very high	90.3	Very high	12 Å²	12	51.1 Å²	51.1	7%	0.074	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.3	115.7	-176.7	-51.1	0	0	0	0	111.8	T424 S449 V524	T424-T534 HydrophobicContact CG2-CG2 4.45Å; S449-T534 PolarHBondContact OG-OG1 3.19Å; V524-T534 HydrophobicContact CG1-CG2 3.6Å
535	N	94.6	Very high	89.2	Confident	61 Å²	61	51.1 Å²	51.1	33%	0.326	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	0.1	-177.2	75.4	-26.8	0	0	0	114.9	M420 T424 T525 W527 S533	M420-N535 HydrophobicContact CE-CB 3.98Å; M420-N535 HydrophobicContact CG-CB 3.77Å; M420-N535 HydrophobicContact SD-CB 3.46Å; M420-N535 WeakPolarHBondContact SD-CB 3.47Å; T424-N535 WeakPolarHBondContact OG1-CA 3.42Å; T525-N535 PolarHBondContact O-N 2.92Å; T525-N535 VanDerWaalsContact O-N 3.12Å; W527-N535 WeakPolarHBondContact CB-OD1 3.45Å; W527-N535 PolarHBondContact N-OD1 2.98Å; S533-N535 PolarHBondContact O-N 3.4Å; S533-N535 PolarHBondContact O-OD1 3.41Å
536	T	95.3	Very high	88	Confident	36 Å²	36	56.4 Å²	56.4	22%	0.221	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	127.5	-175.4	-58.2	0	0	0	0	108.7	V524 T525 R538	V524-T536 WeakPolarHBondContact CA-O 3.47Å; T525-T536 PolarHBondContact N-O 3.46Å; T525-T536 PolarHBondContact O-N 3.34Å; T525-T536 WeakPolarHBondContact OG1-CB 3.38Å; T536-R538 HydrophobicContact CG2-CG 4.42Å
537	L	95	Very high	87.1	Confident	57 Å²	57	61.3 Å²	61.3	30%	0.298	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.4	174.4	177.5	159.5	0	0	0	108.3	T424 A427 A428 A431 I522 I523 V539	T424-L537 HydrophobicContact CG2-CB 4.48Å; A427-L537 HydrophobicContact CB-CD1 3.99Å; A428-L537 HydrophobicContact CB-CD1 3.86Å; A428-L537 VanDerWaalsContact N-CD1 3.31Å; A431-L537 HydrophobicContact CB-CD1 4.48Å; I522-L537 HydrophobicContact CG2-CD1 4.31Å; I522-L537 HydrophobicContact CG2-CG 4.01Å; I523-L537 CarbonylContact O-C 3.57Å; I523-L537 WeakPolarHBondContact O-CA 3.48Å; L537-V539 HydrophobicContact CD2-CG2 4.13Å
538	R	94.9	Very high	86.4	Confident	68 Å²	68	59.6 Å²	59.6	26%	0.257	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	138.3	170.5	-60.6	-171.7	179.5	124.6	-11	110.5	I522 I523 T536 V540 I550 V551	I522-R538 CarbonylContact C-O 3.6Å; I522-R538 WeakPolarHBondContact CA-O 3.12Å; I523-R538 HydrophobicContact CB-CB 4.47Å; I523-R538 PolarHBondContact N-O 2.82Å; I523-R538 PolarHBondContact O-N 3.31Å; T536-R538 HydrophobicContact CG2-CG 4.42Å; R538-V540 HydrophobicContact CB-CG2 3.95Å; R538-I550 PolarHBondContact NH1-O 3.02Å; R538-V551 PolarHBondContact NH2-O 3.34Å
539	V	95.2	Very high	85.6	Confident	74 Å²	74	57.4 Å²	57.4	45%	0.448	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	119	167.2	-172.8	0	0	0	0	106.5	A431 F520 I522 L537	A431-V539 HydrophobicContact CB-CG2 4.38Å; F520-V539 HydrophobicContact CD1-CG1 3.94Å; I522-V539 HydrophobicContact CD1-CB 4.28Å; I522-V539 HydrophobicContact CD1-CG1 4.08Å; I522-V539 HydrophobicContact CD1-CG2 3.81Å; L537-V539 HydrophobicContact CD2-CG2 4.13Å
540	V	92.8	Very high	85.2	Confident	20 Å²	20	55.3 Å²	55.3	12%	0.121	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.4	-173.7	-178.1	0	0	0	0	109.6	F520 V521 I523 R538 D544 A545	F520-V540 WeakPolarHBondContact CA-O 3.09Å; V521-V540 HydrophobicContact CG2-CB 4.33Å; V521-V540 PolarHBondContact N-O 2.82Å; V521-V540 PolarHBondContact O-N 2.89Å; I523-V540 HydrophobicContact CD1-CB 4.17Å; I523-V540 HydrophobicContact CD1-CG2 3.82Å; I523-V540 HydrophobicContact CG1-CG2 4.49Å; R538-V540 HydrophobicContact CB-CG2 3.95Å; V540-D544 HydrophobicContact CG1-CB 4.49Å; V540-A545 HydrophobicContact CG1-CB 3.85Å
541	K	91.5	Very high	84.8	Confident	71 Å²	71	53.8 Å²	53.8	31%	0.309	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	133.8	168	-164	-173.6	-177.2	-152.7	0	108.6	F520 E543 D544 A545	F520-K541 HydrophobicContact CD1-CB 4.3Å; F520-K541 HydrophobicContact CE1-CB 4.13Å; F520-K541 HydrophobicContact CE1-CG 4.47Å; K541-E543 IonicContact NZ-OE1 3.31Å; K541-E543 PolarHBondContact NZ-OE1 2.94Å; K541-E543 IonicContact NZ-OE2 2.96Å; K541-E543 PolarHBondContact NZ-OE2 3.26Å; K541-E543 PolarHBondContact O-N 3.28Å; K541-E543 VanDerWaalsContact O-N 3.12Å; K541-D544 WeakPolarHBondContact O-CB 3.32Å; K541-D544 PolarHBondContact O-N 2.83Å; K541-A545 PolarHBondContact O-N 3.3Å
542	L	87	Confident	83.8	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	30%	0.299	C	S	.	.	H	α-helix	trans	-56.5	-34	-171.5	-78.3	171.3	0	0	0	114.7	L506 F515 S516 C519 V521 D544 A545 E546	L506-L542 HydrophobicContact CD2-CD2 3.45Å; L506-L542 VanDerWaalsContact CD2-CD2 3.45Å; F515-L542 HydrophobicContact CB-CD1 3.82Å; F515-L542 HydrophobicContact CD2-CD1 3.34Å; F515-L542 HydrophobicContact CD2-CD2 3.98Å; F515-L542 HydrophobicContact CD2-CG 4.33Å; F515-L542 HydrophobicContact CE2-CD1 4.06Å; F515-L542 HydrophobicContact CE2-CD2 3.83Å; F515-L542 HydrophobicContact CG-CD1 3.77Å; F515-L542 HydrophobicContact CZ-CD2 4.43Å; S516-L542 VanDerWaalsContact O-CD1 3.23Å; S516-L542 WeakPolarHBondContact O-CD1 3.07Å; C519-L542 HydrophobicContact CB-CD1 3.96Å; C519-L542 WeakPolarHBondContact O-CG 3.46Å; C519-L542 PolarHBondContact O-N 2.77Å; V521-L542 HydrophobicContact CG1-CD1 4.49Å; V521-L542 HydrophobicContact CG1-CD2 3.75Å; V521-L542 HydrophobicContact CG1-CG 4.12Å; V521-L542 HydrophobicContact CG2-CD2 4.04Å; L542-D544 VanDerWaalsContact C-N 3.33Å; L542-D544 PolarHBondContact O-N 2.93Å; L542-A545 WeakPolarHBondContact O-CB 3.39Å; L542-A545 PolarHBondContact O-N 3.25Å; L542-E546 PolarHBondContact O-N 2.57Å
543	E	82.8	Confident	82.1	Confident	86 Å²	86	56.2 Å²	56.2	40%	0.402	30%	0.295	S	S	.	.	H	α-helix	trans	-62.9	-37.1	176.9	-65.7	159.9	-156.4	0	0	112.4	G518 K541 A545 E546 T547	G518-E543 VanDerWaalsContact CA-OE1 3.29Å; G518-E543 WeakPolarHBondContact CA-OE1 3.47Å; G518-E543 PolarHBondContact N-OE1 2.92Å; K541-E543 IonicContact NZ-OE1 3.31Å; K541-E543 PolarHBondContact NZ-OE1 2.94Å; K541-E543 IonicContact NZ-OE2 2.96Å; K541-E543 PolarHBondContact NZ-OE2 3.26Å; K541-E543 PolarHBondContact O-N 3.28Å; K541-E543 VanDerWaalsContact O-N 3.12Å; E543-A545 VanDerWaalsContact C-N 3.34Å; E543-E546 PolarHBondContact O-N 2.97Å; E543-T547 PolarHBondContact O-OG1 2.66Å
544	D	78.6	Confident	80	Confident	61 Å²	61	60.9 Å²	60.9	33%	0.326	33%	0.326	S	S	.	.	H	α-helix	trans	-70.1	-34.6	176.7	-70.6	-56.1	0	0	0	111.3	V540 K541 L542 E546 T547 K548	V540-D544 HydrophobicContact CG1-CB 4.49Å; K541-D544 WeakPolarHBondContact O-CB 3.32Å; K541-D544 PolarHBondContact O-N 2.83Å; L542-D544 VanDerWaalsContact C-N 3.33Å; L542-D544 PolarHBondContact O-N 2.93Å; D544-E546 PolarHBondContact O-N 3.3Å; D544-T547 PolarHBondContact O-N 3.4Å; D544-K548 HydrophobicContact CB-CD 4.41Å; D544-K548 WeakPolarHBondContact O-CB 3.29Å; D544-K548 PolarHBondContact O-N 3.34Å; D544-K548 IonicContact OD1-NZ 3.25Å; D544-K548 PolarHBondContact OD1-NZ 3Å
545	A	74	Confident	77.7	Confident	3 Å²	3	64.8 Å²	64.8	3%	0.025	35%	0.353	C	S	.	.	H	α-helix	trans	-66.5	-18.8	179.5	0	0	0	0	0	113.6	L506 V540 K541 L542 E543 I550	L506-A545 HydrophobicContact CD1-CB 3.69Å; V540-A545 HydrophobicContact CG1-CB 3.85Å; K541-A545 PolarHBondContact O-N 3.3Å; L542-A545 WeakPolarHBondContact O-CB 3.39Å; L542-A545 PolarHBondContact O-N 3.25Å; E543-A545 VanDerWaalsContact C-N 3.34Å; A545-I550 HydrophobicContact CB-CD1 3.92Å; A545-I550 HydrophobicContact CB-CG1 4.31Å
546	E	70	Confident	75.2	Confident	113 Å²	113	67 Å²	67	53%	0.528	36%	0.364	S	S	.	.	H	α-helix	trans	-84.5	-33.6	176.8	-68.3	177.4	-169	0	0	112.8	K510 L542 E543 D544	K510-E546 WeakPolarHBondContact CE-OE1 3.43Å; K510-E546 VanDerWaalsContact NZ-CD 3.29Å; K510-E546 IonicContact NZ-OE1 3.91Å; K510-E546 PolarHBondContact NZ-OE1 3Å; L542-E546 PolarHBondContact O-N 2.57Å; E543-E546 PolarHBondContact O-N 2.97Å; D544-E546 PolarHBondContact O-N 3.3Å
547	T	71.8	Confident	73.2	Confident	108 Å²	108	70 Å²	70	66%	0.663	38%	0.383	S	S	*	.	H	α-helix	trans	-105	-18.2	-168.2	53.7	0	0	0	0	113.3	E543 D544	E543-T547 PolarHBondContact O-OG1 2.66Å; D544-T547 PolarHBondContact O-N 3.4Å
548	K	73.1	Confident	70.9	Confident	114 Å²	114	73.4 Å²	73.4	50%	0.496	40%	0.397	S	S	.	.	S	Bend	trans	-122.7	149.4	-174.2	-62.4	168.2	-175.3	162.8	0	111.3	D544 I550	D544-K548 HydrophobicContact CB-CD 4.41Å; D544-K548 WeakPolarHBondContact O-CB 3.29Å; D544-K548 PolarHBondContact O-N 3.34Å; D544-K548 IonicContact OD1-NZ 3.25Å; D544-K548 PolarHBondContact OD1-NZ 3Å; K548-I550 PolarHBondContact O-N 3.32Å
549	P	70.1	Confident	69.2	Low	60 Å²	60	79.8 Å²	79.8	39%	0.39	43%	0.426	S	S	.	.			trans	-54.1	132.8	162.4	-22.9	33.8	0	0	0	109.8	M552	P549-M552 HydrophobicContact CB-CB 3.69Å; P549-M552 HydrophobicContact CB-CE 3.82Å; P549-M552 HydrophobicContact CB-CG 4.07Å; P549-M552 HydrophobicContact CG-CB 4.42Å; P549-M552 HydrophobicContact CG-CE 3.5Å
550	I	77.5	Confident	67.5	Low	15 Å²	15	83.8 Å²	83.8	8%	0.077	45%	0.445	C	S	.	.	S	Bend	trans	-86.4	-37.7	-177.3	-61.1	171.6	0	0	0	109.4	D499 I502 L506 I523 R538 A545 K548	D499-I550 PolarHBondContact OD1-N 3.15Å; D499-I550 PolarHBondContact OD2-N 3.24Å; I502-I550 HydrophobicContact CB-CD1 4.26Å; I502-I550 HydrophobicContact CD1-CG2 4.09Å; I502-I550 HydrophobicContact CG2-CD1 3.4Å; I502-I550 HydrophobicContact CG2-CG2 4.34Å; L506-I550 HydrophobicContact CD1-CD1 3.78Å; I523-I550 HydrophobicContact CD1-CG2 3.56Å; R538-I550 PolarHBondContact NH1-O 3.02Å; A545-I550 HydrophobicContact CB-CD1 3.92Å; A545-I550 HydrophobicContact CB-CG1 4.31Å; K548-I550 PolarHBondContact O-N 3.32Å
551	V	74.4	Confident	64.9	Low	11 Å²	11	90.6 Å²	90.6	7%	0.067	48%	0.481	C	S	.	.	S	Bend	trans	-97	-31.2	-176.2	-176.4	0	0	0	0	114.5	W494 M498 D499 I502 R538 V553	W494-V551 HydrophobicContact CH2-CG1 4.46Å; W494-V551 HydrophobicContact CZ3-CG1 3.95Å; M498-V551 HydrophobicContact CB-CG2 4.04Å; M498-V551 HydrophobicContact CG-CG2 3.63Å; D499-V551 VanDerWaalsContact OD1-CB 3.28Å; D499-V551 WeakPolarHBondContact OD1-CB 3.13Å; D499-V551 VanDerWaalsContact OD1-CG2 3.22Å; D499-V551 WeakPolarHBondContact OD1-CG2 3.45Å; D499-V551 PolarHBondContact OD1-N 2.7Å; I502-V551 HydrophobicContact CD1-CG2 3.59Å; R538-V551 PolarHBondContact NH2-O 3.34Å; V551-V553 PolarHBondContact O-N 3.41Å
552	M	65.1	Low	63.6	Low	92 Å²	92	91.6 Å²	91.6	45%	0.453	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-65.6	130.3	176.6	-64.1	-155.8	-66.7	0	0	110.3	Y495 P549	Y495-M552 HydrophobicContact CD2-CG 3.58Å; Y495-M552 HydrophobicContact CD2-SD 3.81Å; Y495-M552 HydrophobicContact CE2-CG 4.05Å; Y495-M552 HydrophobicContact CE2-SD 3.59Å; Y495-M552 VanDerWaalsContact CE2-SD 3.59Å; Y495-M552 HydrophobicContact CG-CG 4.3Å; P549-M552 HydrophobicContact CB-CB 3.69Å; P549-M552 HydrophobicContact CB-CE 3.82Å; P549-M552 HydrophobicContact CB-CG 4.07Å; P549-M552 HydrophobicContact CG-CB 4.42Å; P549-M552 HydrophobicContact CG-CE 3.5Å
553	V	53.1	Low	62.4	Low	109 Å²	109	96.3 Å²	96.3	66%	0.661	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-64.1	134.3	155.7	-169.3	0	0	0	0	105.3	V551 S555	V551-V553 PolarHBondContact O-N 3.41Å; V553-S555 PolarHBondContact O-N 2.78Å
554	P	48	Very low	61.2	Low	105 Å²	105	96.8 Å²	96.8	68%	0.682	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-46.3	134.3	166.7	-23.1	31.9	0	0	0	108.1	I556	P554-I556 PolarHBondContact O-N 2.64Å
555	S	46.5	Very low	60.2	Low	93 Å²	93	98.9 Å²	98.9	65%	0.65	53%	0.533	S	S	*	.			trans	-62.1	96.5	171.4	173.5	0	0	0	0	106.9	V553 T557	V553-S555 PolarHBondContact O-N 2.78Å; S555-T557 PolarHBondContact O-N 3.07Å; S555-T557 PolarHBondContact O-OG1 3.39Å; S555-T557 WeakPolarHBondContact OG-CG2 3.21Å
556	I	43.3	Very low	59.3	Low	109 Å²	109	104.9 Å²	104.9	56%	0.559	56%	0.564	S	S	*	*			trans	-72.1	79.7	171.6	-53.3	176.2	0	0	0	105.5	P554 H558	P554-I556 PolarHBondContact O-N 2.64Å; I556-H558 VanDerWaalsContact C-N 3.29Å; I556-H558 WeakPolarHBondContact CG2-O 3.37Å
557	T	52.6	Low	58.6	Low	99 Å²	99	104.4 Å²	104.4	61%	0.607	57%	0.567	S	S	*	*			trans	-77.8	-23.5	171.8	31	0	0	0	0	110.8	S555	S555-T557 PolarHBondContact O-N 3.07Å; S555-T557 PolarHBondContact O-OG1 3.39Å; S555-T557 WeakPolarHBondContact OG-CG2 3.21Å
558	H	47	Very low	57.7	Low	128 Å²	128	104.1 Å²	104.1	59%	0.593	56%	0.56	S	S	*	*	S	Bend	trans	-129.9	136.4	-179.4	-61	-18.8	0	0	0	109.2	I556 D560 D561	I556-H558 VanDerWaalsContact C-N 3.29Å; I556-H558 WeakPolarHBondContact CG2-O 3.37Å; H558-D560 PolarHBondContact O-N 2.81Å; H558-D560 VanDerWaalsContact O-N 3.07Å; H558-D561 PolarHBondContact O-N 3.49Å
559	F	59.7	Low	56.5	Low	201 Å²	201	103.4 Å²	103.4	88%	0.882	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.2	-5	-175.3	-149	-93.1	0	0	0	113.2
560	D	58.3	Low	55.4	Low	159 Å²	159	107 Å²	107	85%	0.85	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-1.4	-175.8	-61	-36.5	0	0	0	114	H558	H558-D560 PolarHBondContact O-N 2.81Å; H558-D560 VanDerWaalsContact O-N 3.07Å
561	D	38.7	Very low	53.3	Low	163 Å²	163	115.4 Å²	115.4	87%	0.872	63%	0.625	S	S	*	*			trans	-91.6	0	169.9	-70.5	-35.7	0	0	0	111.1	H558	H558-D561 PolarHBondContact O-N 3.49Å

Retrieved 561 of 561 residues in 1346.5 ms (Link to these results)

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