A0A087YFB0_POEFO Loading...

Alkaline phosphatase

AlphaFold DB , UniProt , Accession A0A087YFB0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 541 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	L	30.3	Very low	30.4	Very low	230 Å²	230	158.1 Å²	158.1	100%	1.204	78%	0.784	S	S	*	*				0	98.2	0	-68	154.3	0	0	0	105.7
2	W	24.2	Very low	30.9	Very low	223 Å²	223	152.6 Å²	152.6	85%	0.845	77%	0.772	S	S	*	*			cis	111.2	108.6	44.6	-145.8	67.7	0	0	0	109.5
3	L	27.7	Very low	30.8	Very low	130 Å²	130	151.5 Å²	151.5	68%	0.681	77%	0.77	S	S	*	*			trans	68.1	159.3	165.8	-59.4	-171.2	0	0	0	117.5
4	S	29.4	Very low	30.9	Very low	86 Å²	86	152.8 Å²	152.8	60%	0.601	77%	0.771	S	S	*	*			cis	-154.5	170.2	-0.7	-104.5	0	0	0	0	107.3
5	R	30.9	Very low	31	Very low	213 Å²	213	152.9 Å²	152.9	80%	0.804	77%	0.774	S	S	*	*			cis	-161.1	159.7	-5.8	-110.8	168.7	-174.3	-163.1	0.6	106.6
6	V	30.2	Very low	30.8	Very low	124 Å²	124	152.8 Å²	152.8	75%	0.752	77%	0.773	S	S	*	*				49.9	125.7	76.9	-165.8	0	0	0	0	112.6
7	T	28.5	Very low	30.7	Very low	109 Å²	109	154.1 Å²	154.1	67%	0.669	77%	0.772	S	S	*	*			cis	-137.3	-177	11	-2.2	0	0	0	0	109.2
8	H	28.4	Very low	30.8	Very low	176 Å²	176	152.6 Å²	152.6	82%	0.815	77%	0.772	S	S	*	*			cis	-155.5	168	34.6	-106.2	-65.4	0	0	0	113.4
9	Q	25.3	Very low	30.7	Very low	173 Å²	173	151.2 Å²	151.2	81%	0.808	78%	0.778	S	S	*	*			trans	-117.9	178.4	165.2	-110.2	-171	-18.4	0	0	108.4
10	P	50.6	Low	30.7	Very low	93 Å²	93	147.4 Å²	147.4	60%	0.604	78%	0.778	S	S	*	*			cis	-133.2	177.7	-30.1	37.8	-21.7	0	0	0	112.5
11	H	29.4	Very low	30.8	Very low	182 Å²	182	148.2 Å²	148.2	84%	0.843	78%	0.782	S	S	*	*				-178.1	163.9	118.8	-107.5	-80.9	0	0	0	111.8
12	S	36.1	Very low	30.9	Very low	92 Å²	92	144.1 Å²	144.1	64%	0.643	76%	0.761	S	S	*	*			trans	-101.4	148.4	-176.6	52.6	0	0	0	0	112.7
13	D	29.8	Very low	31.3	Very low	139 Å²	139	141.1 Å²	141.1	74%	0.743	76%	0.76	S	S	*	*				-168.8	156.5	128.6	-109.7	-23.7	0	0	0	116.5
14	H	32.4	Very low	31.5	Very low	169 Å²	169	139.1 Å²	139.1	78%	0.782	76%	0.762	S	S	*	*			trans	63.8	160.7	154.7	-79.8	-51.9	0	0	0	124
15	N	31.5	Very low	31.6	Very low	154 Å²	154	140.9 Å²	140.9	82%	0.824	77%	0.772	S	S	*	*			trans	-85.1	153.1	-174.4	-58.7	-62.1	0	0	0	112.6
16	M	28.3	Very low	31.7	Very low	152 Å²	152	136.3 Å²	136.3	75%	0.749	77%	0.773	S	S	*	*				164.4	122.1	100.5	-175.1	170	58.5	0	0	115.2
17	K	29.5	Very low	31.8	Very low	175 Å²	175	140 Å²	140	76%	0.761	78%	0.78	S	S	*	*			trans	67.3	141	152.3	-73.2	172.1	-174.8	173.5	0	123
18	T	31.8	Very low	32.1	Very low	126 Å²	126	142 Å²	142	77%	0.773	79%	0.786	S	S	*	*			trans	79.4	121.9	143.7	39.5	0	0	0	0	123
19	S	29.8	Very low	32.8	Very low	126 Å²	126	142 Å²	142	88%	0.881	79%	0.79	S	S	*	*			trans	79.6	119.5	145.4	-55.6	0	0	0	0	120.4
20	G	30	Very low	33.4	Very low	76 Å²	76	137.8 Å²	137.8	78%	0.784	78%	0.779	S	S	*	*			trans	168.9	137	166.8	0	0	0	0	0	113.8
21	L	32.9	Very low	33	Very low	165 Å²	165	137.2 Å²	137.2	86%	0.864	79%	0.791	S	S	*	*			trans	-65.2	142	178.1	-89.8	58.8	0	0	0	111.6
22	L	33.3	Very low	33.3	Very low	144 Å²	144	134 Å²	134	75%	0.754	79%	0.787	S	S	*	*				73.4	109.1	60.4	-145.7	-174	0	0	0	113
23	I	32.4	Very low	33.8	Very low	160 Å²	160	136.3 Å²	136.3	82%	0.821	80%	0.797	S	S	*	*			trans	174	160.3	141.4	-93.4	158.5	0	0	0	111
24	A	30.7	Very low	34.3	Very low	87 Å²	87	132.8 Å²	132.8	72%	0.719	79%	0.794	S	S	*	*			trans	75.8	73.8	169.8	0	0	0	0	0	118.5
25	C	31.3	Very low	34.9	Very low	123 Å²	123	132.6 Å²	132.6	83%	0.831	80%	0.796	S	S	*	*			trans	-104.8	118.5	141.9	-79.8	0	0	0	0	108.5	F27	C25-F27 PolarHBondContact O-N 3Å
26	S	34.1	Very low	35.8	Very low	118 Å²	118	128 Å²	128	83%	0.825	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-73.8	120.8	-177.3	-52.8	0	0	0	0	111	L28	S26-L28 PolarHBondContact O-N 3.13Å
27	F	32.8	Very low	37.4	Very low	201 Å²	201	129 Å²	129	88%	0.882	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-73.5	127.4	173	-92.6	-87.4	0	0	0	111.3	C25 I29	C25-F27 PolarHBondContact O-N 3Å; F27-I29 PolarHBondContact O-N 3.45Å
28	L	34.4	Very low	39.3	Very low	152 Å²	152	124.6 Å²	124.6	80%	0.796	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-72.5	117	173.2	-74.7	159.3	0	0	0	109.8	S26 S30	S26-L28 PolarHBondContact O-N 3.13Å; L28-S30 PolarHBondContact O-N 3.09Å
29	I	43	Very low	41.7	Very low	176 Å²	176	120.7 Å²	120.7	90%	0.903	73%	0.734	S	S	*	*			trans	-79.3	77.8	163.6	-55.3	178.7	0	0	0	107.6	F27	F27-I29 PolarHBondContact O-N 3.45Å
30	S	36.6	Very low	44.4	Very low	83 Å²	83	121.2 Å²	121.2	58%	0.58	72%	0.723	S	S	*	*			trans	-88.1	118.8	167.2	-67.6	0	0	0	0	108.8	L28 C32	L28-S30 PolarHBondContact O-N 3.09Å; S30-C32 VanDerWaalsContact C-N 3.34Å; S30-C32 PolarHBondContact O-N 3.5Å
31	G	43.4	Very low	47.3	Very low	82 Å²	82	123 Å²	123	85%	0.845	71%	0.711	S	S	*	*			trans	-69.6	86.4	176.1	0	0	0	0	0	111.5	T33	G31-T33 PolarHBondContact O-N 2.95Å
32	C	35.9	Very low	50.1	Low	114 Å²	114	116.1 Å²	116.1	77%	0.77	67%	0.674	S	S	*	*			trans	-69	122.8	174.3	-70.9	0	0	0	0	110.3	S30 G34	S30-C32 VanDerWaalsContact C-N 3.34Å; S30-C32 PolarHBondContact O-N 3.5Å; C32-G34 PolarHBondContact O-N 3.27Å
33	T	45.8	Very low	53	Low	140 Å²	140	114.5 Å²	114.5	86%	0.859	66%	0.661	S	S	*	*			trans	-62.9	96.9	162.7	48.4	0	0	0	0	108.4	G31 M35	G31-T33 PolarHBondContact O-N 2.95Å; T33-M35 PolarHBondContact O-N 2.91Å; T33-M35 VanDerWaalsContact O-N 3.13Å
34	G	39.8	Very low	56	Low	65 Å²	65	111 Å²	111	67%	0.67	64%	0.644	S	S	*	*			trans	-62.4	112.3	-175	0	0	0	0	0	111.9	C32	C32-G34 PolarHBondContact O-N 3.27Å
35	M	46.2	Very low	59.2	Low	166 Å²	166	110.9 Å²	110.9	82%	0.818	64%	0.636	S	S	*	*			trans	-55.2	139.1	156.8	-71.9	-85.8	-76.7	0	0	108	T33 Q37	T33-M35 PolarHBondContact O-N 2.91Å; T33-M35 VanDerWaalsContact O-N 3.13Å; M35-Q37 PolarHBondContact O-N 3.42Å; M35-Q37 VanDerWaalsContact O-N 3.09Å
36	P	50.7	Low	62.3	Low	57 Å²	57	110.4 Å²	110.4	37%	0.37	62%	0.62	S	S	.	*			trans	-57.2	120	179.2	23.1	-33.2	0	0	0	109.6	F38 H407	P36-F38 VanDerWaalsContact C-N 3.31Å; P36-F38 WeakPolarHBondContact O-CD1 3.43Å; P36-F38 PolarHBondContact O-N 2.75Å; P36-F38 VanDerWaalsContact O-N 3.09Å; P36-H407 HydrophobicContact CB-CB 4.47Å
37	Q	61.2	Low	65.3	Low	172 Å²	172	107 Å²	107	80%	0.804	59%	0.59	S	S	*	*			trans	-90.5	66.3	-171.7	-166.6	172.7	-7.5	0	0	110.9	M35	M35-Q37 PolarHBondContact O-N 3.42Å; M35-Q37 VanDerWaalsContact O-N 3.09Å
38	F	69.6	Low	68.4	Low	84 Å²	84	102.9 Å²	102.9	37%	0.368	57%	0.569	S	S	.	*			trans	-69.7	144.4	168.4	55.8	-78.3	0	0	0	110.2	P36 E40 E42 K43	P36-F38 VanDerWaalsContact C-N 3.31Å; P36-F38 WeakPolarHBondContact O-CD1 3.43Å; P36-F38 PolarHBondContact O-N 2.75Å; P36-F38 VanDerWaalsContact O-N 3.09Å; F38-E40 PolarHBondContact O-N 3.36Å; F38-E42 HydrophobicContact CD2-CB 4.34Å; F38-K43 HydrophobicContact CD2-CG 4.15Å; F38-K43 HydrophobicContact CE2-CD 4.29Å; F38-K43 HydrophobicContact CE2-CG 3.42Å; F38-K43 VanDerWaalsContact CE2-CG 3.42Å; F38-K43 HydrophobicContact CZ-CG 4.17Å
39	P	81.6	Confident	71.4	Confident	43 Å²	43	100.5 Å²	100.5	28%	0.279	56%	0.557	S	S	.	*			trans	-54.4	137.2	-177.1	-26.9	34.2	0	0	0	112.9	Q41 E42	P39-Q41 HydrophobicContact CB-CG 4.07Å; P39-Q41 PolarHBondContact O-N 2.83Å; P39-E42 HydrophobicContact CB-CG 4.27Å; P39-E42 HydrophobicContact CG-CG 4.46Å; P39-E42 WeakPolarHBondContact O-CB 3.5Å; P39-E42 PolarHBondContact O-N 2.72Å
40	E	87.3	Confident	74.1	Confident	137 Å²	137	96.1 Å²	96.1	64%	0.64	54%	0.535	S	S	*	.	G	3₁₀ helix	trans	-56.8	-31.9	-173.6	-160.1	64.7	-153.1	0	0	113	F38 E42 K43	F38-E40 PolarHBondContact O-N 3.36Å; E40-E42 VanDerWaalsContact C-N 3.31Å; E40-E42 PolarHBondContact O-N 3.2Å; E40-K43 WeakPolarHBondContact O-CB 3.35Å; E40-K43 PolarHBondContact O-N 3.41Å; E40-K43 WeakPolarHBondContact OE1-CD 3.35Å; E40-K43 IonicContact OE1-NZ 2.82Å; E40-K43 PolarHBondContact OE1-NZ 2.91Å; E40-K43 WeakPolarHBondContact OE2-CE 3.42Å; E40-K43 IonicContact OE2-NZ 3.49Å; E40-K43 PolarHBondContact OE2-NZ 3.09Å
41	Q	90.3	Very high	76.9	Confident	115 Å²	115	97.1 Å²	97.1	54%	0.537	53%	0.527	S	S	.	.	G	3₁₀ helix	trans	-62.3	-32.3	175.4	67.3	-168.8	8.7	0	0	113.7	P39 K43 N44 F47	P39-Q41 HydrophobicContact CB-CG 4.07Å; P39-Q41 PolarHBondContact O-N 2.83Å; Q41-K43 PolarHBondContact O-N 3.27Å; Q41-N44 WeakPolarHBondContact O-CB 3.45Å; Q41-N44 PolarHBondContact O-N 3.06Å; Q41-F47 HydrophobicContact CB-CD2 4.08Å; Q41-F47 HydrophobicContact CB-CG 4.46Å; Q41-F47 VanDerWaalsContact CD-CE2 3.49Å; Q41-F47 HydrophobicContact CG-CD2 3.8Å; Q41-F47 HydrophobicContact CG-CE2 3.78Å; Q41-F47 HydrophobicContact CG-CG 4.29Å; Q41-F47 HydrophobicContact CG-CZ 4.25Å; Q41-F47 VanDerWaalsContact O-CB 3.3Å; Q41-F47 WeakPolarHBondContact O-CB 3.26Å
42	E	92.6	Very high	79.5	Confident	19 Å²	19	95.9 Å²	95.9	9%	0.089	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-69.7	-16.2	-179.5	-69.4	-174	-165.2	0	0	112.9	F38 P39 E40 N44 F47 W48 R408	F38-E42 HydrophobicContact CD2-CB 4.34Å; P39-E42 HydrophobicContact CB-CG 4.27Å; P39-E42 HydrophobicContact CG-CG 4.46Å; P39-E42 WeakPolarHBondContact O-CB 3.5Å; P39-E42 PolarHBondContact O-N 2.72Å; E40-E42 VanDerWaalsContact C-N 3.31Å; E40-E42 PolarHBondContact O-N 3.2Å; E42-N44 PolarHBondContact O-N 3.15Å; E42-F47 HydrophobicContact CG-CD1 4.06Å; E42-F47 HydrophobicContact CG-CE1 3.73Å; E42-F47 HydrophobicContact CG-CZ 4.39Å; E42-W48 HydrophobicContact CB-CZ2 3.72Å; E42-W48 HydrophobicContact CG-CH2 4.09Å; E42-W48 HydrophobicContact CG-CZ2 3.58Å; E42-W48 PolarHBondContact O-NE1 2.98Å; E42-R408 IonicContact OE1-CZ 3.57Å; E42-R408 IonicContact OE1-NH1 3.85Å; E42-R408 PolarHBondContact OE1-NH1 2.8Å; E42-R408 IonicContact OE1-NH2 2.76Å; E42-R408 PolarHBondContact OE1-NH2 2.76Å; E42-R408 IonicContact OE2-CZ 2.71Å; E42-R408 IonicContact OE2-NH1 3.58Å; E42-R408 PolarHBondContact OE2-NH1 2.76Å; E42-R408 IonicContact OE2-NH2 3.6Å
43	K	92.8	Very high	82.5	Confident	110 Å²	110	96.4 Å²	96.4	48%	0.478	50%	0.499	S	S	.	.	G	3₁₀ helix	trans	-69.7	-21	171	-66.6	168.1	-179.7	176.1	0	112.7	F38 E40 Q41 P45	F38-K43 HydrophobicContact CD2-CG 4.15Å; F38-K43 HydrophobicContact CE2-CD 4.29Å; F38-K43 HydrophobicContact CE2-CG 3.42Å; F38-K43 VanDerWaalsContact CE2-CG 3.42Å; F38-K43 HydrophobicContact CZ-CG 4.17Å; E40-K43 WeakPolarHBondContact O-CB 3.35Å; E40-K43 PolarHBondContact O-N 3.41Å; E40-K43 WeakPolarHBondContact OE1-CD 3.35Å; E40-K43 IonicContact OE1-NZ 2.82Å; E40-K43 PolarHBondContact OE1-NZ 2.91Å; E40-K43 WeakPolarHBondContact OE2-CE 3.42Å; E40-K43 IonicContact OE2-NZ 3.49Å; E40-K43 PolarHBondContact OE2-NZ 3.09Å; Q41-K43 PolarHBondContact O-N 3.27Å; K43-P45 WeakPolarHBondContact O-CD 3.01Å
44	N	96.1	Very high	85	Confident	86 Å²	86	94.1 Å²	94.1	46%	0.46	48%	0.479	S	S	.	.	S	Bend	trans	-93.5	118.2	-176.8	-174.1	-14.5	0	0	0	110.1	Q41 E42 K46 F47	Q41-N44 WeakPolarHBondContact O-CB 3.45Å; Q41-N44 PolarHBondContact O-N 3.06Å; E42-N44 PolarHBondContact O-N 3.15Å; N44-K46 PolarHBondContact O-N 3.05Å; N44-K46 VanDerWaalsContact OD1-CB 3.29Å; N44-K46 WeakPolarHBondContact OD1-CB 3.01Å; N44-K46 PolarHBondContact OD1-N 2.03Å; N44-F47 WeakPolarHBondContact O-CB 3.34Å; N44-F47 PolarHBondContact O-N 2.72Å
45	P	97.6	Very high	87.6	Confident	86 Å²	86	94.2 Å²	94.2	56%	0.558	47%	0.466	S	S	*	.	H	α-helix	trans	-54.4	-24.8	176.2	-27.2	35.9	0	0	0	114.2	K43 F47 W48 N49	K43-P45 WeakPolarHBondContact O-CD 3.01Å; P45-F47 VanDerWaalsContact C-N 3.3Å; P45-F47 PolarHBondContact O-N 3.25Å; P45-W48 PolarHBondContact O-N 3.22Å; P45-N49 WeakPolarHBondContact O-CB 3.38Å; P45-N49 VanDerWaalsContact O-CG 3.23Å; P45-N49 PolarHBondContact O-N 3.37Å; P45-N49 PolarHBondContact O-ND2 3.13Å
46	K	97.8	Very high	90.1	Very high	113 Å²	113	90.3 Å²	90.3	49%	0.491	45%	0.449	S	S	.	.	H	α-helix	trans	-60.4	-37.4	175	-157.9	-161.6	-174.4	-59.1	0	112.5	N44 W48 N49 D50	N44-K46 PolarHBondContact O-N 3.05Å; N44-K46 VanDerWaalsContact OD1-CB 3.29Å; N44-K46 WeakPolarHBondContact OD1-CB 3.01Å; N44-K46 PolarHBondContact OD1-N 2.03Å; K46-W48 PolarHBondContact O-N 3.05Å; K46-N49 PolarHBondContact O-N 3.06Å; K46-D50 IonicContact NZ-OD1 2.78Å; K46-D50 PolarHBondContact NZ-OD1 2.81Å; K46-D50 IonicContact NZ-OD2 3.54Å; K46-D50 PolarHBondContact NZ-OD2 3.5Å; K46-D50 VanDerWaalsContact O-CB 3.29Å; K46-D50 WeakPolarHBondContact O-CB 3.14Å; K46-D50 PolarHBondContact O-N 3.41Å
47	F	96.6	Very high	92.4	Very high	45 Å²	45	92.2 Å²	92.2	20%	0.197	45%	0.451	C	S	.	.	H	α-helix	trans	-59.2	-50.2	179.5	173.4	-98.1	0	0	0	111.4	Q41 E42 N44 P45 W51	Q41-F47 HydrophobicContact CB-CD2 4.08Å; Q41-F47 HydrophobicContact CB-CG 4.46Å; Q41-F47 VanDerWaalsContact CD-CE2 3.49Å; Q41-F47 HydrophobicContact CG-CD2 3.8Å; Q41-F47 HydrophobicContact CG-CE2 3.78Å; Q41-F47 HydrophobicContact CG-CG 4.29Å; Q41-F47 HydrophobicContact CG-CZ 4.25Å; Q41-F47 VanDerWaalsContact O-CB 3.3Å; Q41-F47 WeakPolarHBondContact O-CB 3.26Å; E42-F47 HydrophobicContact CG-CD1 4.06Å; E42-F47 HydrophobicContact CG-CE1 3.73Å; E42-F47 HydrophobicContact CG-CZ 4.39Å; N44-F47 WeakPolarHBondContact O-CB 3.34Å; N44-F47 PolarHBondContact O-N 2.72Å; P45-F47 VanDerWaalsContact C-N 3.3Å; P45-F47 PolarHBondContact O-N 3.25Å; F47-W51 AromaticContact CE1-CE3 3.78Å; F47-W51 HydrophobicContact CE1-CE3 3.78Å; F47-W51 AromaticContact CE1-CZ3 3.99Å; F47-W51 HydrophobicContact CE1-CZ3 3.99Å; F47-W51 AromaticContact CZ-CE3 3.67Å; F47-W51 HydrophobicContact CZ-CE3 3.67Å; F47-W51 AromaticContact CZ-CZ3 3.75Å; F47-W51 HydrophobicContact CZ-CZ3 3.75Å; F47-W51 WeakPolarHBondContact O-CB 3.41Å; F47-W51 PolarHBondContact O-N 3.19Å; F47-W51 VanDerWaalsContact O-N 3.1Å
48	W	97	Very high	93.9	Very high	116 Å²	116	87.7 Å²	87.7	44%	0.439	43%	0.432	S	S	.	.	H	α-helix	trans	-66.8	-39.9	178.4	-59.6	109.8	0	0	0	112.6	E42 P45 K46 A52	E42-W48 HydrophobicContact CB-CZ2 3.72Å; E42-W48 HydrophobicContact CG-CH2 4.09Å; E42-W48 HydrophobicContact CG-CZ2 3.58Å; E42-W48 PolarHBondContact O-NE1 2.98Å; P45-W48 PolarHBondContact O-N 3.22Å; K46-W48 PolarHBondContact O-N 3.05Å; W48-A52 VanDerWaalsContact O-CB 3.27Å; W48-A52 WeakPolarHBondContact O-CB 3.3Å; W48-A52 PolarHBondContact O-N 3.25Å
49	N	98.3	Very high	95.2	Very high	102 Å²	102	87.4 Å²	87.4	55%	0.545	44%	0.441	S	S	.	.	H	α-helix	trans	-65.9	-44.5	176.9	-71	-20.1	0	0	0	112.1	P45 K46 A52 Q53	P45-N49 WeakPolarHBondContact O-CB 3.38Å; P45-N49 VanDerWaalsContact O-CG 3.23Å; P45-N49 PolarHBondContact O-N 3.37Å; P45-N49 PolarHBondContact O-ND2 3.13Å; K46-N49 PolarHBondContact O-N 3.06Å; N49-A52 PolarHBondContact O-N 2.83Å; N49-Q53 WeakPolarHBondContact O-CB 3.23Å; N49-Q53 VanDerWaalsContact O-CG 3.28Å; N49-Q53 WeakPolarHBondContact O-CG 3.5Å; N49-Q53 PolarHBondContact O-N 2.97Å
50	D	98.2	Very high	95.9	Very high	83 Å²	83	91.9 Å²	91.9	44%	0.444	46%	0.462	S	S	.	.	H	α-helix	trans	-61.9	-46.3	178.4	-71.2	-11.4	0	0	0	110.9	K46 Q53 Q54	K46-D50 IonicContact NZ-OD1 2.78Å; K46-D50 PolarHBondContact NZ-OD1 2.81Å; K46-D50 IonicContact NZ-OD2 3.54Å; K46-D50 PolarHBondContact NZ-OD2 3.5Å; K46-D50 VanDerWaalsContact O-CB 3.29Å; K46-D50 WeakPolarHBondContact O-CB 3.14Å; K46-D50 PolarHBondContact O-N 3.41Å; D50-Q53 PolarHBondContact O-N 2.85Å; D50-Q54 PolarHBondContact O-N 2.94Å
51	W	96.4	Very high	96.2	Very high	105 Å²	105	91.6 Å²	91.6	40%	0.398	46%	0.46	S	S	.	.	H	α-helix	trans	-60.1	-51.9	175.7	-168.1	-23.1	0	0	0	110.6	F47 Q53 Q54 T55	F47-W51 AromaticContact CE1-CE3 3.78Å; F47-W51 HydrophobicContact CE1-CE3 3.78Å; F47-W51 AromaticContact CE1-CZ3 3.99Å; F47-W51 HydrophobicContact CE1-CZ3 3.99Å; F47-W51 AromaticContact CZ-CE3 3.67Å; F47-W51 HydrophobicContact CZ-CE3 3.67Å; F47-W51 AromaticContact CZ-CZ3 3.75Å; F47-W51 HydrophobicContact CZ-CZ3 3.75Å; F47-W51 WeakPolarHBondContact O-CB 3.41Å; F47-W51 PolarHBondContact O-N 3.19Å; F47-W51 VanDerWaalsContact O-N 3.1Å; W51-Q53 VanDerWaalsContact C-N 3.31Å; W51-Q53 PolarHBondContact O-N 2.87Å; W51-Q54 PolarHBondContact O-N 3.38Å; W51-Q54 VanDerWaalsContact O-N 3.11Å; W51-T55 PolarHBondContact O-N 3.3Å; W51-T55 PolarHBondContact O-OG1 2.74Å
52	A	98.3	Very high	96.3	Very high	55 Å²	55	89 Å²	89	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-60.7	-37.5	-179.2	0	0	0	0	0	113	W48 N49 L56	W48-A52 VanDerWaalsContact O-CB 3.27Å; W48-A52 WeakPolarHBondContact O-CB 3.3Å; W48-A52 PolarHBondContact O-N 3.25Å; N49-A52 PolarHBondContact O-N 2.83Å; A52-L56 VanDerWaalsContact O-CB 3.28Å; A52-L56 WeakPolarHBondContact O-CB 3.47Å; A52-L56 PolarHBondContact O-N 2.8Å
53	Q	98.5	Very high	96.1	Very high	125 Å²	125	92.6 Å²	92.6	58%	0.584	47%	0.468	S	S	*	.	H	α-helix	trans	-69.5	-37.4	174.7	-70.6	-60	-66.9	0	0	112.5	N49 D50 W51 K57	N49-Q53 WeakPolarHBondContact O-CB 3.23Å; N49-Q53 VanDerWaalsContact O-CG 3.28Å; N49-Q53 WeakPolarHBondContact O-CG 3.5Å; N49-Q53 PolarHBondContact O-N 2.97Å; D50-Q53 PolarHBondContact O-N 2.85Å; W51-Q53 VanDerWaalsContact C-N 3.31Å; W51-Q53 PolarHBondContact O-N 2.87Å; Q53-K57 WeakPolarHBondContact O-CB 3.45Å; Q53-K57 PolarHBondContact O-N 2.93Å
54	Q	97.4	Very high	96	Very high	93 Å²	93	92.8 Å²	92.8	44%	0.435	47%	0.469	S	S	.	.	H	α-helix	trans	-65.3	-48.3	173.8	-175.2	58.8	53.2	0	0	111.1	D50 W51 L56 K57 D58	D50-Q54 PolarHBondContact O-N 2.94Å; W51-Q54 PolarHBondContact O-N 3.38Å; W51-Q54 VanDerWaalsContact O-N 3.11Å; Q54-L56 VanDerWaalsContact C-N 3.31Å; Q54-L56 PolarHBondContact O-N 3.41Å; Q54-K57 CarbonylContact O-C 3.5Å; Q54-K57 WeakPolarHBondContact O-CA 3.34Å; Q54-K57 WeakPolarHBondContact O-CB 3.2Å; Q54-K57 PolarHBondContact O-N 2.7Å; Q54-D58 PolarHBondContact NE2-OD1 3.41Å; Q54-D58 PolarHBondContact O-N 3.04Å; Q54-D58 VanDerWaalsContact O-OD2 3.14Å
55	T	96.3	Very high	95.8	Very high	66 Å²	66	89.2 Å²	89.2	41%	0.405	45%	0.451	S	S	.	.	H	α-helix	trans	-63.9	-34.5	178	-59.6	0	0	0	0	112.8	W51 S59	W51-T55 PolarHBondContact O-N 3.3Å; W51-T55 PolarHBondContact O-OG1 2.74Å; T55-S59 WeakPolarHBondContact O-CB 3.15Å; T55-S59 PolarHBondContact O-N 2.84Å; T55-S59 PolarHBondContact O-OG 3.27Å
56	L	98.1	Very high	95.6	Very high	85 Å²	85	89.2 Å²	89.2	45%	0.445	45%	0.446	S	S	.	.	H	α-helix	trans	-62.9	-44	170.1	175.2	60.2	0	0	0	111.3	A52 Q54 S59 L60	A52-L56 VanDerWaalsContact O-CB 3.28Å; A52-L56 WeakPolarHBondContact O-CB 3.47Å; A52-L56 PolarHBondContact O-N 2.8Å; Q54-L56 VanDerWaalsContact C-N 3.31Å; Q54-L56 PolarHBondContact O-N 3.41Å; L56-S59 WeakPolarHBondContact O-CB 3.37Å; L56-S59 PolarHBondContact O-N 2.89Å; L56-L60 HydrophobicContact CD1-CD1 4.24Å; L56-L60 HydrophobicContact CD1-CG 4.41Å; L56-L60 HydrophobicContact CG-CD1 4.19Å; L56-L60 WeakPolarHBondContact O-CG 3.3Å; L56-L60 PolarHBondContact O-N 2.91Å; L56-L60 VanDerWaalsContact O-N 3.07Å
57	K	97.6	Very high	95.3	Very high	96 Å²	96	89.6 Å²	89.6	42%	0.417	45%	0.448	S	S	.	.	H	α-helix	trans	-61.3	-48.5	175.7	-175.2	-167.6	166.1	-164.5	0	111.3	Q53 Q54 S59 L60 E61	Q53-K57 WeakPolarHBondContact O-CB 3.45Å; Q53-K57 PolarHBondContact O-N 2.93Å; Q54-K57 CarbonylContact O-C 3.5Å; Q54-K57 WeakPolarHBondContact O-CA 3.34Å; Q54-K57 WeakPolarHBondContact O-CB 3.2Å; Q54-K57 PolarHBondContact O-N 2.7Å; K57-S59 PolarHBondContact O-N 3Å; K57-L60 PolarHBondContact O-N 2.71Å; K57-E61 WeakPolarHBondContact CE-OE1 3.3Å; K57-E61 VanDerWaalsContact CE-OE2 3.23Å; K57-E61 WeakPolarHBondContact CE-OE2 3.45Å; K57-E61 IonicContact NZ-OE1 2.68Å; K57-E61 IonicContact NZ-OE2 2.85Å; K57-E61 PolarHBondContact O-N 3.07Å
58	D	94.7	Very high	95.3	Very high	77 Å²	77	93.2 Å²	93.2	41%	0.412	46%	0.463	S	S	.	.	H	α-helix	trans	-57.4	-39.1	178.2	-58.1	-32.8	0	0	0	111.1	Q54 E61 Q62	Q54-D58 PolarHBondContact NE2-OD1 3.41Å; Q54-D58 PolarHBondContact O-N 3.04Å; Q54-D58 VanDerWaalsContact O-OD2 3.14Å; D58-E61 PolarHBondContact O-N 3.04Å; D58-Q62 PolarHBondContact O-N 3.18Å
59	S	95.4	Very high	95.4	Very high	78 Å²	78	87.7 Å²	87.7	55%	0.545	44%	0.442	S	S	.	.	H	α-helix	trans	-68	-31.3	176.4	-57	0	0	0	0	113.5	T55 L56 K57	T55-S59 WeakPolarHBondContact O-CB 3.15Å; T55-S59 PolarHBondContact O-N 2.84Å; T55-S59 PolarHBondContact O-OG 3.27Å; L56-S59 WeakPolarHBondContact O-CB 3.37Å; L56-S59 PolarHBondContact O-N 2.89Å; K57-S59 PolarHBondContact O-N 3Å
60	L	96.2	Very high	95.4	Very high	138 Å²	138	86.4 Å²	86.4	72%	0.723	43%	0.432	S	S	*	.	H	α-helix	trans	-79.9	-24.1	175.6	-69.2	167.6	0	0	0	112.7	L56 K57	L56-L60 HydrophobicContact CD1-CD1 4.24Å; L56-L60 HydrophobicContact CD1-CG 4.41Å; L56-L60 HydrophobicContact CG-CD1 4.19Å; L56-L60 WeakPolarHBondContact O-CG 3.3Å; L56-L60 PolarHBondContact O-N 2.91Å; L56-L60 VanDerWaalsContact O-N 3.07Å; K57-L60 PolarHBondContact O-N 2.71Å
61	E	94.6	Very high	95.4	Very high	130 Å²	130	82.8 Å²	82.8	61%	0.607	41%	0.412	S	S	*	.	S	Bend	trans	-93.3	2.3	177.5	-67.2	-177.6	169.8	0	0	113.2	K57 D58 D63	K57-E61 WeakPolarHBondContact CE-OE1 3.3Å; K57-E61 VanDerWaalsContact CE-OE2 3.23Å; K57-E61 WeakPolarHBondContact CE-OE2 3.45Å; K57-E61 IonicContact NZ-OE1 2.68Å; K57-E61 IonicContact NZ-OE2 2.85Å; K57-E61 PolarHBondContact O-N 3.07Å; D58-E61 PolarHBondContact O-N 3.04Å; E61-D63 PolarHBondContact O-N 3.39Å
62	Q	92.3	Very high	95.5	Very high	62 Å²	62	77.8 Å²	77.8	29%	0.29	39%	0.394	S	S	.	.			trans	-66.1	120.9	-176.8	178.8	53.2	60.3	0	0	113.4	D58 F64 P111 F112	D58-Q62 PolarHBondContact O-N 3.18Å; Q62-F64 HydrophobicContact CB-CE2 4.49Å; Q62-F64 HydrophobicContact CG-CE2 4.4Å; Q62-F64 WeakPolarHBondContact O-CD2 3.43Å; Q62-F64 VanDerWaalsContact O-CE2 3.31Å; Q62-F64 WeakPolarHBondContact O-CE2 3.15Å; Q62-P111 HydrophobicContact CG-CB 4.35Å; Q62-F112 HydrophobicContact CG-CE1 4.11Å; Q62-F112 HydrophobicContact CG-CZ 3.76Å
63	D	87.1	Confident	95.6	Very high	93 Å²	93	75.1 Å²	75.1	50%	0.497	37%	0.372	S	S	.	.			trans	-72	130.8	175.2	178.3	26.6	0	0	0	112.5	E61 S65	E61-D63 PolarHBondContact O-N 3.39Å; D63-S65 PolarHBondContact O-N 2.75Å; D63-S65 PolarHBondContact OD1-N 2.98Å
64	F	92.1	Very high	95.6	Very high	115 Å²	115	69.2 Å²	69.2	50%	0.504	34%	0.344	S	S	.	.			trans	-98.7	61.6	174	-70.6	-96.9	0	0	0	110.2	Q62 N66 F112 H486	Q62-F64 HydrophobicContact CB-CE2 4.49Å; Q62-F64 HydrophobicContact CG-CE2 4.4Å; Q62-F64 WeakPolarHBondContact O-CD2 3.43Å; Q62-F64 VanDerWaalsContact O-CE2 3.31Å; Q62-F64 WeakPolarHBondContact O-CE2 3.15Å; F64-N66 PolarHBondContact O-N 3.28Å; F64-N66 PolarHBondContact O-ND2 3.31Å; F64-F112 HydrophobicContact CD1-CE1 4.27Å; F64-F112 HydrophobicContact CD1-CZ 4.37Å; F64-F112 AromaticContact CE1-CE1 3.75Å; F64-F112 HydrophobicContact CE1-CE1 3.75Å; F64-F112 HydrophobicContact CE1-CZ 4.25Å; F64-F112 HydrophobicContact CZ-CE1 4.15Å; F64-H486 HydrophobicContact CD1-CB 3.53Å; F64-H486 AromaticContact CD1-CG 3.77Å; F64-H486 HydrophobicContact CE1-CB 3.93Å
65	S	91.7	Very high	95.7	Very high	10 Å²	10	64.8 Å²	64.8	7%	0.07	32%	0.324	C	S	.	.			trans	-54.8	106.6	-173.3	179.2	0	0	0	0	112.9	D63 K67 M484	D63-S65 PolarHBondContact O-N 2.75Å; D63-S65 PolarHBondContact OD1-N 2.98Å; S65-K67 VanDerWaalsContact C-N 3.25Å; S65-K67 PolarHBondContact O-N 3.21Å; S65-M484 PolarHBondContact O-N 3.36Å
66	N	92.3	Very high	95.8	Very high	87 Å²	87	61.7 Å²	61.7	47%	0.465	30%	0.304	S	S	.	.			trans	-91.9	28.7	177.9	-93.2	-94.3	0	0	0	112.9	F64 M484 H486 K517	F64-N66 PolarHBondContact O-N 3.28Å; F64-N66 PolarHBondContact O-ND2 3.31Å; N66-M484 HydrophobicContact CB-CE 4.5Å; N66-M484 WeakPolarHBondContact O-CE 3.47Å; N66-H486 PolarHBondContact ND2-CE1 3.42Å; N66-K517 PolarHBondContact O-NZ 2.93Å
67	K	93.4	Very high	95.8	Very high	121 Å²	121	57.6 Å²	57.6	53%	0.526	28%	0.283	S	S	.	.	S	Bend	trans	-88.8	164.6	-179.1	-64.2	175.7	-177	168.1	0	111.3	S65 P483	S65-K67 VanDerWaalsContact C-N 3.25Å; S65-K67 PolarHBondContact O-N 3.21Å; K67-P483 HydrophobicContact CB-CB 4.38Å; K67-P483 WeakPolarHBondContact O-CB 3.35Å
68	K	95.9	Very high	95.9	Very high	120 Å²	120	53 Å²	53	52%	0.522	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-74.7	132.2	171.1	175.5	172.7	-170.4	168.7	0	110.7	K70 A504 A505 C506	K68-K70 PolarHBondContact O-N 3.18Å; K68-A504 CarbonylContact C-O 3.56Å; K68-A504 WeakPolarHBondContact CA-O 3.29Å; K68-A505 VanDerWaalsContact CE-O 3.27Å; K68-A505 WeakPolarHBondContact CE-O 3.3Å; K68-C506 WeakPolarHBondContact CD-SG 3.37Å; K68-C506 WeakPolarHBondContact CE-SG 3.13Å; K68-C506 VanDerWaalsContact CG-SG 3.53Å
69	A	98.2	Very high	96.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-72.8	118.4	166	0	0	0	0	0	110.2	L72 D387 L389 P483 A504 A505	A69-L72 HydrophobicContact CB-CD2 4.04Å; A69-D387 CarbonylContact C-O 3.54Å; A69-L389 HydrophobicContact CB-CB 4Å; A69-P483 HydrophobicContact CB-CB 4.34Å; A69-P483 HydrophobicContact CB-CG 4.48Å; A69-A504 HydrophobicContact CB-CB 4.01Å; A69-A504 PolarHBondContact N-O 2.62Å; A69-A505 HydrophobicContact CB-CB 4.48Å; A69-A505 WeakPolarHBondContact O-CA 3.4Å
70	K	98.4	Very high	96.2	Very high	76 Å²	76	45.9 Å²	45.9	33%	0.33	22%	0.219	S	C	.	.	S	Bend	trans	-71.8	-45.8	165.6	179.3	179.9	158.2	178.1	0	109.8	K68 K177 P341 D387	K68-K70 PolarHBondContact O-N 3.18Å; K70-K177 PolarHBondContact O-NZ 2.92Å; K70-P341 WeakPolarHBondContact CE-O 3.12Å; K70-P341 PolarHBondContact NZ-O 2.95Å; K70-D387 WeakPolarHBondContact CA-O 3.43Å; K70-D387 HydrophobicContact CB-CB 4.02Å; K70-D387 WeakPolarHBondContact CD-OD2 3.29Å; K70-D387 PolarHBondContact N-O 3.29Å
71	N	98.9	Very high	96.4	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.032	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	149.3	-178.1	-39.4	-60.6	0	0	0	111.1	G343 F344 D387 T388 L389	N71-G343 WeakPolarHBondContact OD1-CA 3.28Å; N71-F344 CarbonylContact C-O 3.59Å; N71-F344 WeakPolarHBondContact CA-O 3.26Å; N71-F344 HydrophobicContact CB-CD1 3.89Å; N71-F344 HydrophobicContact CB-CE1 3.65Å; N71-F344 HydrophobicContact CB-CE2 4.39Å; N71-F344 HydrophobicContact CB-CG 4.34Å; N71-F344 HydrophobicContact CB-CZ 3.93Å; N71-F344 WeakPolarHBondContact OD1-CD1 3.45Å; N71-F344 PolarHBondContact OD1-N 3.36Å; N71-D387 PolarHBondContact N-O 2.95Å; N71-D387 VanDerWaalsContact ND2-CG 3.3Å; N71-D387 PolarHBondContact ND2-OD1 2.87Å; N71-D387 PolarHBondContact ND2-OD2 2.9Å; N71-T388 HydrophobicContact CB-CG2 3.97Å; N71-T388 PolarHBondContact ND2-OG1 2.99Å; N71-T388 WeakPolarHBondContact O-CA 3.49Å; N71-L389 PolarHBondContact O-N 3.2Å
72	L	98.9	Very high	96.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	132	175.8	-67.2	-178.9	0	0	0	108.9	A69 I168 F344 Y345 L346 L389 M501 A505 I507	A69-L72 HydrophobicContact CB-CD2 4.04Å; L72-I168 HydrophobicContact CD1-CD1 3.94Å; L72-I168 HydrophobicContact CD1-CG1 4.4Å; L72-F344 PolarHBondContact N-O 3.3Å; L72-Y345 HydrophobicContact CB-CD2 3.69Å; L72-Y345 HydrophobicContact CB-CE2 4.46Å; L72-Y345 HydrophobicContact CB-CG 4.48Å; L72-Y345 HydrophobicContact CD1-CD2 3.93Å; L72-Y345 HydrophobicContact CG-CD2 4.5Å; L72-Y345 CarbonylContact O-C 3.59Å; L72-Y345 WeakPolarHBondContact O-CA 3.47Å; L72-L346 PolarHBondContact O-N 3.38Å; L72-L389 WeakPolarHBondContact CA-O 3.34Å; L72-L389 HydrophobicContact CD2-CB 3.99Å; L72-L389 HydrophobicContact CD2-CD2 4.05Å; L72-L389 HydrophobicContact CD2-CG 4.33Å; L72-M501 HydrophobicContact CB-CE 4.02Å; L72-M501 HydrophobicContact CD1-CB 4.3Å; L72-M501 HydrophobicContact CD2-CB 4.19Å; L72-M501 HydrophobicContact CD2-CE 4.3Å; L72-A505 HydrophobicContact CD1-CB 3.71Å; L72-A505 HydrophobicContact CD2-CB 4.05Å; L72-A505 HydrophobicContact CG-CB 3.91Å; L72-I507 HydrophobicContact CD1-CD1 3.86Å
73	I	98.9	Very high	96.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	126	168.7	-46.5	-177.3	0	0	0	109	F75 I334 F344 L346 V348 A379 T383 T388 L389 S390 V391	I73-F75 HydrophobicContact CB-CE2 4.11Å; I73-F75 HydrophobicContact CG2-CD2 3.78Å; I73-F75 HydrophobicContact CG2-CE2 3.34Å; I73-F75 HydrophobicContact CG2-CZ 3.79Å; I73-I334 HydrophobicContact CD1-CD1 4.02Å; I73-F344 HydrophobicContact CD1-CE2 4.05Å; I73-F344 HydrophobicContact CD1-CZ 4.21Å; I73-F344 HydrophobicContact CG1-CE2 3.87Å; I73-F344 HydrophobicContact CG1-CZ 4.39Å; I73-L346 WeakPolarHBondContact CA-O 3.38Å; I73-L346 HydrophobicContact CG1-CB 4.41Å; I73-L346 HydrophobicContact CG2-CB 4.24Å; I73-L346 HydrophobicContact CG2-CD2 4.23Å; I73-L346 HydrophobicContact CG2-CG 4.25Å; I73-V348 HydrophobicContact CG2-CG2 4.13Å; I73-A379 HydrophobicContact CD1-CB 4.21Å; I73-T383 HydrophobicContact CD1-CG2 4.13Å; I73-T388 HydrophobicContact CD1-CG2 4.27Å; I73-T388 HydrophobicContact CG1-CG2 4.23Å; I73-L389 PolarHBondContact N-O 2.96Å; I73-S390 WeakPolarHBondContact O-CA 3.38Å; I73-V391 PolarHBondContact O-N 2.98Å
74	L	98.9	Very high	97.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.7	167.4	-178.6	60.2	0	0	0	108.6	Y135 L136 L346 L347 V348 V391 T393 I497 M501	L74-Y135 HydrophobicContact CD2-CD2 3.72Å; L74-Y135 HydrophobicContact CD2-CE2 4.27Å; L74-L136 HydrophobicContact CD2-CD2 3.84Å; L74-L346 PolarHBondContact N-O 3.15Å; L74-L347 HydrophobicContact CB-CD1 4.37Å; L74-L347 HydrophobicContact CD2-CD1 4.22Å; L74-L347 HydrophobicContact CG-CD1 4.29Å; L74-V348 PolarHBondContact O-N 3.03Å; L74-V391 HydrophobicContact CD1-CB 3.93Å; L74-V391 HydrophobicContact CD1-CG1 3.9Å; L74-T393 HydrophobicContact CD1-CG2 4.01Å; L74-I497 HydrophobicContact CD1-CG2 4.29Å; L74-M501 HydrophobicContact CB-CE 4.05Å; L74-M501 HydrophobicContact CB-SD 4.27Å; L74-M501 HydrophobicContact CD1-SD 4.29Å
75	F	99	Very high	97.8	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	123	167.4	-70.7	-88.2	0	0	0	108.7	I73 V348 M372 I376 A379 V391 V392 T393	I73-F75 HydrophobicContact CB-CE2 4.11Å; I73-F75 HydrophobicContact CG2-CD2 3.78Å; I73-F75 HydrophobicContact CG2-CE2 3.34Å; I73-F75 HydrophobicContact CG2-CZ 3.79Å; F75-V348 CarbonylContact C-O 3.55Å; F75-V348 WeakPolarHBondContact CA-O 3.47Å; F75-V348 HydrophobicContact CD1-CB 3.55Å; F75-V348 HydrophobicContact CD1-CG1 3.73Å; F75-V348 HydrophobicContact CD1-CG2 4.03Å; F75-V348 HydrophobicContact CE1-CB 3.72Å; F75-V348 HydrophobicContact CE1-CG1 3.75Å; F75-V348 HydrophobicContact CE1-CG2 3.72Å; F75-V348 HydrophobicContact CG-CB 4.31Å; F75-V348 HydrophobicContact CZ-CG2 4.18Å; F75-M372 HydrophobicContact CB-CE 3.75Å; F75-I376 HydrophobicContact CB-CD1 4.21Å; F75-I376 HydrophobicContact CB-CG1 4.08Å; F75-I376 HydrophobicContact CD1-CD1 4.26Å; F75-I376 HydrophobicContact CD1-CG1 3.39Å; F75-I376 HydrophobicContact CD2-CG1 3.89Å; F75-I376 HydrophobicContact CE1-CB 4.44Å; F75-I376 HydrophobicContact CE1-CG1 3.69Å; F75-I376 HydrophobicContact CE2-CG1 4.14Å; F75-I376 HydrophobicContact CG-CD1 4.2Å; F75-I376 HydrophobicContact CG-CG1 3.52Å; F75-I376 HydrophobicContact CZ-CG1 4.07Å; F75-A379 HydrophobicContact CE2-CB 4.14Å; F75-A379 HydrophobicContact CZ-CB 3.54Å; F75-V391 PolarHBondContact N-O 3.02Å; F75-V392 HydrophobicContact CB-CB 4.23Å; F75-V392 HydrophobicContact CB-CG1 4.05Å; F75-V392 HydrophobicContact CB-CG2 4.02Å; F75-V392 HydrophobicContact CD2-CG2 4.26Å; F75-V392 HydrophobicContact CG-CG2 4.42Å; F75-V392 CarbonylContact O-C 3.53Å; F75-V392 WeakPolarHBondContact O-CA 3.41Å; F75-T393 PolarHBondContact O-N 3.33Å
76	L	98.9	Very high	98.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	116.3	-179	-164.5	-64.8	0	0	0	108.7	D78 Y135 T191 L347 V348 E349 G350 T393 D395	L76-D78 HydrophobicContact CD1-CB 4.14Å; L76-Y135 HydrophobicContact CD2-CD1 4.2Å; L76-Y135 HydrophobicContact CD2-CD2 4.08Å; L76-Y135 HydrophobicContact CD2-CE1 3.81Å; L76-Y135 HydrophobicContact CD2-CE2 3.65Å; L76-Y135 HydrophobicContact CD2-CG 4.35Å; L76-Y135 HydrophobicContact CG-CE1 4.3Å; L76-Y135 HydrophobicContact CG-CE2 3.77Å; L76-T191 HydrophobicContact CD1-CG2 4.1Å; L76-T191 HydrophobicContact CG-CG2 4.07Å; L76-L347 HydrophobicContact CB-CD1 4.32Å; L76-V348 PolarHBondContact N-O 3.45Å; L76-E349 CarbonylContact O-C 3.15Å; L76-E349 VanDerWaalsContact O-CA 3.27Å; L76-E349 WeakPolarHBondContact O-CA 3.23Å; L76-G350 PolarHBondContact O-N 3.21Å; L76-T393 WeakPolarHBondContact CA-O 3.36Å; L76-T393 HydrophobicContact CD2-CG2 3.64Å; L76-D395 HydrophobicContact CD1-CB 4.06Å; L76-D395 HydrophobicContact CD2-CB 4.11Å
77	G	98.9	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	102.3	168.9	0	0	0	0	0	107.8	G79 M80 M372 T393 A394	G77-G79 PolarHBondContact O-N 3.28Å; G77-M80 WeakPolarHBondContact O-CB 3.43Å; G77-M80 PolarHBondContact O-N 2.76Å; G77-M372 WeakPolarHBondContact CA-SD 3.48Å; G77-M372 VanDerWaalsContact N-CE 3.26Å; G77-T393 PolarHBondContact N-O 3.28Å; G77-A394 VanDerWaalsContact O-CA 3.27Å; G77-A394 WeakPolarHBondContact O-CA 3.43Å; G77-A394 VanDerWaalsContact O-CB 3.24Å; G77-A394 WeakPolarHBondContact O-CB 3.4Å
78	D	98.9	Very high	98.7	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	120.9	-178	-145.4	-77.5	0	0	0	107.3	L76 M80 T191 I353 D354 D395	L76-D78 HydrophobicContact CD1-CB 4.14Å; D78-M80 VanDerWaalsContact C-N 3.28Å; D78-M80 PolarHBondContact O-N 3.39Å; D78-T191 WeakPolarHBondContact OD2-CB 3.42Å; D78-T191 PolarHBondContact OD2-OG1 3.31Å; D78-I353 WeakPolarHBondContact O-CB 3.48Å; D78-D354 HydrophobicContact CB-CB 4.02Å; D78-D354 WeakPolarHBondContact O-CB 3.35Å; D78-D354 PolarHBondContact O-N 2.84Å; D78-D395 WeakPolarHBondContact CA-OD1 3.36Å
79	G	98.8	Very high	98.8	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	3.4	-171.3	0	0	0	0	0	117.4	G77 G81 D395 H396 H398	G77-G79 PolarHBondContact O-N 3.28Å; G79-G81 PolarHBondContact O-N 2.98Å; G79-D395 PolarHBondContact N-OD1 3.01Å; G79-H396 CarbonylContact C-O 3.51Å; G79-H396 VanDerWaalsContact CA-O 3.22Å; G79-H396 WeakPolarHBondContact CA-O 3.41Å; G79-H398 WeakPolarHBondContact CA-NE2 3.17Å; G79-H398 PolarHBondContact O-CD2 2.83Å; G79-H398 VanDerWaalsContact O-CD2 3.3Å
80	M	98.9	Very high	98.9	Very high	5 Å²	5	13.9 Å²	13.9	3%	0.025	7%	0.073	C	C	.	.			trans	-77.9	57.4	-170.8	-164	-170.6	64	0	0	114.5	G77 D78 T84 V85 M107 I353 A369 M372 V392 A394 H396	G77-M80 WeakPolarHBondContact O-CB 3.43Å; G77-M80 PolarHBondContact O-N 2.76Å; D78-M80 VanDerWaalsContact C-N 3.28Å; D78-M80 PolarHBondContact O-N 3.39Å; M80-T84 HydrophobicContact CG-CG2 4.03Å; M80-V85 HydrophobicContact CE-CG2 4.12Å; M80-V85 HydrophobicContact CG-CG2 4.01Å; M80-V85 HydrophobicContact SD-CG2 4.38Å; M80-M107 HydrophobicContact CE-CE 3.92Å; M80-M107 HydrophobicContact CE-SD 3.89Å; M80-M107 HydrophobicContact SD-CE 4Å; M80-M107 HydrophobicContact SD-SD 4.5Å; M80-I353 HydrophobicContact CB-CD1 4.01Å; M80-I353 HydrophobicContact CB-CG2 4.11Å; M80-I353 HydrophobicContact CG-CD1 3.97Å; M80-I353 HydrophobicContact CG-CG2 4.4Å; M80-I353 HydrophobicContact SD-CD1 3.85Å; M80-A369 HydrophobicContact SD-CB 4.4Å; M80-M372 HydrophobicContact CE-CE 4.15Å; M80-M372 HydrophobicContact CE-SD 4.32Å; M80-M372 HydrophobicContact SD-SD 3.91Å; M80-V392 HydrophobicContact CE-CG1 4.2Å; M80-A394 VanDerWaalsContact C-CB 3.48Å; M80-A394 HydrophobicContact CB-CB 4.05Å; M80-A394 WeakPolarHBondContact O-CB 3.43Å; M80-H396 PolarHBondContact N-O 3.36Å
81	G	98.9	Very high	98.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.			trans	-65	174.3	178.4	0	0	0	0	0	115.2	G79 P83 T84 V85	G79-G81 PolarHBondContact O-N 2.98Å; G81-P83 VanDerWaalsContact C-CD 3.45Å; G81-T84 WeakPolarHBondContact O-CA 3.47Å; G81-T84 WeakPolarHBondContact O-CB 3.43Å; G81-T84 PolarHBondContact O-N 3.31Å; G81-V85 PolarHBondContact O-N 3.35Å
82	V	98.9	Very high	98.9	Very high	64 Å²	64	11.6 Å²	11.6	39%	0.388	6%	0.063	S	C	.	.	H	α-helix	trans	-55.2	-38.5	-174.2	-176.8	0	0	0	0	114.3	T86 A477	V82-T86 PolarHBondContact O-N 3.26Å; V82-T86 VanDerWaalsContact O-N 3.15Å; V82-T86 PolarHBondContact O-OG1 3.29Å; V82-T86 VanDerWaalsContact O-OG1 3.11Å; V82-A477 HydrophobicContact CG2-CB 4.37Å
83	P	98.9	Very high	98.8	Very high	33 Å²	33	11.6 Å²	11.6	21%	0.214	6%	0.063	C	C	.	.	H	α-helix	trans	-63.9	-43.2	173.4	-20.9	34.1	0	0	0	112.1	G81 T86 A87 F400	G81-P83 VanDerWaalsContact C-CD 3.45Å; P83-T86 PolarHBondContact O-N 3.03Å; P83-A87 WeakPolarHBondContact O-CB 3.45Å; P83-A87 PolarHBondContact O-N 3.49Å; P83-F400 HydrophobicContact CB-CD1 3.87Å; P83-F400 HydrophobicContact CB-CE1 4.19Å
84	T	98.9	Very high	98.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.7	-46.6	178.1	-56.9	0	0	0	0	111.8	M80 G81 T86 A87 A88 I353 H357 L366 F400	M80-T84 HydrophobicContact CG-CG2 4.03Å; G81-T84 WeakPolarHBondContact O-CA 3.47Å; G81-T84 WeakPolarHBondContact O-CB 3.43Å; G81-T84 PolarHBondContact O-N 3.31Å; T84-T86 VanDerWaalsContact C-N 3.28Å; T84-T86 PolarHBondContact O-N 3.12Å; T84-A87 PolarHBondContact O-N 2.91Å; T84-A88 VanDerWaalsContact O-CB 3.24Å; T84-A88 WeakPolarHBondContact O-CB 3.33Å; T84-A88 PolarHBondContact O-N 3.34Å; T84-I353 HydrophobicContact CG2-CG2 3.82Å; T84-H357 WeakPolarHBondContact CG2-NE2 3.45Å; T84-H357 PolarHBondContact OG1-CE1 3.35Å; T84-H357 PolarHBondContact OG1-NE2 3.28Å; T84-L366 HydrophobicContact CG2-CD2 3.93Å; T84-F400 WeakPolarHBondContact OG1-CD1 3.45Å
85	V	98.9	Very high	98.7	Very high	4 Å²	4	17.7 Å²	17.7	2%	0.024	9%	0.093	C	C	.	.	H	α-helix	trans	-55.4	-44.9	173.9	174.9	0	0	0	0	110.9	M80 G81 A88 R89 L105 M107 F479	M80-V85 HydrophobicContact CE-CG2 4.12Å; M80-V85 HydrophobicContact CG-CG2 4.01Å; M80-V85 HydrophobicContact SD-CG2 4.38Å; G81-V85 PolarHBondContact O-N 3.35Å; V85-A88 PolarHBondContact O-N 2.93Å; V85-R89 WeakPolarHBondContact O-CB 3.49Å; V85-R89 PolarHBondContact O-N 3.26Å; V85-L105 HydrophobicContact CG1-CD1 3.68Å; V85-M107 HydrophobicContact CG1-SD 4.01Å; V85-M107 HydrophobicContact CG2-SD 4.25Å; V85-F479 HydrophobicContact CG1-CZ 4.23Å
86	T	98.9	Very high	98.6	Very high	39 Å²	39	21.3 Å²	21.3	24%	0.239	12%	0.119	C	C	.	.	H	α-helix	trans	-72.8	-37.7	-177.3	-58.5	0	0	0	0	112.8	V82 P83 T84 R89 I90 F402	V82-T86 PolarHBondContact O-N 3.26Å; V82-T86 VanDerWaalsContact O-N 3.15Å; V82-T86 PolarHBondContact O-OG1 3.29Å; V82-T86 VanDerWaalsContact O-OG1 3.11Å; P83-T86 PolarHBondContact O-N 3.03Å; T84-T86 VanDerWaalsContact C-N 3.28Å; T84-T86 PolarHBondContact O-N 3.12Å; T86-R89 WeakPolarHBondContact O-CB 3.48Å; T86-R89 PolarHBondContact O-N 3.12Å; T86-R89 PolarHBondContact OG1-NH1 2.7Å; T86-R89 VanDerWaalsContact OG1-NH1 3.14Å; T86-I90 WeakPolarHBondContact O-CG1 3.4Å; T86-I90 PolarHBondContact O-N 3.41Å; T86-F402 HydrophobicContact CG2-CE1 4.06Å; T86-F402 HydrophobicContact CG2-CZ 3.57Å
87	A	98.8	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-68.9	-35	174	0	0	0	0	0	112.2	P83 T84 I90 L91 L366 F400 F402 I412	P83-A87 WeakPolarHBondContact O-CB 3.45Å; P83-A87 PolarHBondContact O-N 3.49Å; T84-A87 PolarHBondContact O-N 2.91Å; A87-I90 PolarHBondContact O-N 3.46Å; A87-L91 WeakPolarHBondContact O-CB 3.19Å; A87-L91 PolarHBondContact O-N 3.28Å; A87-L366 HydrophobicContact CB-CD1 3.6Å; A87-L366 HydrophobicContact CB-CD2 3.72Å; A87-L366 HydrophobicContact CB-CG 4.33Å; A87-F400 HydrophobicContact CB-CE1 3.87Å; A87-F400 HydrophobicContact CB-CZ 3.78Å; A87-F402 HydrophobicContact CB-CD1 4.16Å; A87-F402 HydrophobicContact CB-CE1 4.5Å; A87-I412 HydrophobicContact CB-CD1 4.06Å; A87-I412 HydrophobicContact CB-CG1 3.9Å
88	A	98.8	Very high	98.2	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	18%	0.178	C	C	.	.	H	α-helix	trans	-68	-35.9	173.6	0	0	0	0	0	112.6	T84 V85 L91 K92 L366 A369 V370	T84-A88 VanDerWaalsContact O-CB 3.24Å; T84-A88 WeakPolarHBondContact O-CB 3.33Å; T84-A88 PolarHBondContact O-N 3.34Å; V85-A88 PolarHBondContact O-N 2.93Å; A88-L91 PolarHBondContact O-N 2.7Å; A88-K92 WeakPolarHBondContact O-CB 3.45Å; A88-K92 PolarHBondContact O-N 3.4Å; A88-L366 HydrophobicContact CB-CD2 4.3Å; A88-A369 HydrophobicContact CB-CB 3.68Å; A88-V370 HydrophobicContact CB-CG2 4.45Å
89	R	98.8	Very high	97.9	Very high	48 Å²	48	31.9 Å²	31.9	18%	0.181	19%	0.19	C	C	.	.	H	α-helix	trans	-56.7	-51.6	171.4	-175.1	-173.8	-62.1	112.8	6.5	111.4	V85 T86 L91 K92 G93 T103 L105 D108	V85-R89 WeakPolarHBondContact O-CB 3.49Å; V85-R89 PolarHBondContact O-N 3.26Å; T86-R89 WeakPolarHBondContact O-CB 3.48Å; T86-R89 PolarHBondContact O-N 3.12Å; T86-R89 PolarHBondContact OG1-NH1 2.7Å; T86-R89 VanDerWaalsContact OG1-NH1 3.14Å; R89-L91 PolarHBondContact O-N 2.9Å; R89-K92 PolarHBondContact O-N 3.48Å; R89-G93 PolarHBondContact O-N 3.17Å; R89-T103 WeakPolarHBondContact CD-O 3.41Å; R89-T103 WeakPolarHBondContact CG-O 3.43Å; R89-L105 HydrophobicContact CB-CD1 4.12Å; R89-L105 HydrophobicContact CB-CD2 4.26Å; R89-L105 HydrophobicContact CB-CG 3.9Å; R89-L105 HydrophobicContact CG-CG 4.21Å; R89-D108 IonicContact CZ-OD1 2.81Å; R89-D108 IonicContact CZ-OD2 3.25Å; R89-D108 IonicContact NE-OD1 3.65Å; R89-D108 PolarHBondContact NE-OD1 3.45Å; R89-D108 IonicContact NE-OD2 2.8Å; R89-D108 PolarHBondContact NE-OD2 2.88Å; R89-D108 IonicContact NH2-OD1 2.71Å; R89-D108 PolarHBondContact NH2-OD1 3.34Å; R89-D108 IonicContact NH2-OD2 2.63Å
90	I	98.8	Very high	97.8	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.072	19%	0.19	C	C	.	.	H	α-helix	trans	-59.5	-47.7	177.9	-63.4	169.2	0	0	0	110.2	T86 A87 K92 G93 Q94 G100 E101 F402 I412	T86-I90 WeakPolarHBondContact O-CG1 3.4Å; T86-I90 PolarHBondContact O-N 3.41Å; A87-I90 PolarHBondContact O-N 3.46Å; I90-K92 PolarHBondContact O-N 3.28Å; I90-G93 PolarHBondContact O-N 2.81Å; I90-Q94 HydrophobicContact CG2-CG 4.43Å; I90-Q94 VanDerWaalsContact CG2-NE2 3.32Å; I90-Q94 WeakPolarHBondContact O-CG 3.41Å; I90-Q94 PolarHBondContact O-N 3.19Å; I90-G100 WeakPolarHBondContact O-CA 3.26Å; I90-E101 HydrophobicContact CD1-CG 4.23Å; I90-E101 HydrophobicContact CG1-CG 4.11Å; I90-F402 HydrophobicContact CD1-CE2 4.19Å; I90-I412 HydrophobicContact CB-CD1 4.38Å; I90-I412 HydrophobicContact CD1-CD1 3.96Å; I90-I412 HydrophobicContact CG2-CB 4.03Å; I90-I412 HydrophobicContact CG2-CD1 4.28Å; I90-I412 HydrophobicContact CG2-CG1 4.43Å
91	L	98.7	Very high	97.6	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.026	20%	0.202	C	C	.	.	H	α-helix	trans	-58.7	-44.3	177	-177.9	61.3	0	0	0	112.9	A87 A88 R89 G93 Q94 L95 L366 V370 I412 F413	A87-L91 WeakPolarHBondContact O-CB 3.19Å; A87-L91 PolarHBondContact O-N 3.28Å; A88-L91 PolarHBondContact O-N 2.7Å; R89-L91 PolarHBondContact O-N 2.9Å; L91-G93 VanDerWaalsContact C-N 3.31Å; L91-G93 PolarHBondContact O-N 2.86Å; L91-Q94 PolarHBondContact O-N 2.88Å; L91-L95 HydrophobicContact CD1-CD1 4.02Å; L91-L95 HydrophobicContact CD1-CD2 4.49Å; L91-L95 HydrophobicContact CD1-CG 3.96Å; L91-L95 HydrophobicContact CD2-CD1 4.39Å; L91-L95 HydrophobicContact CG-CD1 3.78Å; L91-L95 HydrophobicContact CG-CG 4.19Å; L91-L95 WeakPolarHBondContact O-CB 3.27Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.18Å; L91-L95 PolarHBondContact O-N 3.17Å; L91-L366 HydrophobicContact CD2-CB 3.55Å; L91-V370 HydrophobicContact CB-CG2 4.32Å; L91-V370 HydrophobicContact CD2-CG2 4.03Å; L91-V370 HydrophobicContact CG-CG2 4.17Å; L91-I412 HydrophobicContact CB-CG2 4.18Å; L91-I412 HydrophobicContact CD1-CG2 4.2Å; L91-F413 HydrophobicContact CD1-CE2 3.66Å; L91-F413 HydrophobicContact CD1-CZ 3.97Å; L91-F413 HydrophobicContact CD2-CZ 4.06Å
92	K	98.7	Very high	97.4	Very high	29 Å²	29	37 Å²	37	13%	0.126	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-42.4	-179.7	-175.1	-175.8	174.3	-172.8	0	111.7	A88 R89 I90 S96 T103 Q104 L105 E106 V370 D373	A88-K92 WeakPolarHBondContact O-CB 3.45Å; A88-K92 PolarHBondContact O-N 3.4Å; R89-K92 PolarHBondContact O-N 3.48Å; I90-K92 PolarHBondContact O-N 3.28Å; K92-S96 WeakPolarHBondContact O-CB 3.27Å; K92-S96 PolarHBondContact O-N 3.29Å; K92-S96 PolarHBondContact O-OG 2.77Å; K92-T103 HydrophobicContact CB-CG2 4.38Å; K92-T103 HydrophobicContact CD-CG2 4.26Å; K92-T103 HydrophobicContact CG-CG2 4.28Å; K92-Q104 PolarHBondContact NZ-O 3.21Å; K92-L105 HydrophobicContact CB-CD2 4.19Å; K92-L105 HydrophobicContact CD-CD2 3.7Å; K92-E106 IonicContact NZ-OE1 3.27Å; K92-E106 PolarHBondContact NZ-OE1 3.37Å; K92-V370 HydrophobicContact CB-CG2 4.14Å; K92-D373 WeakPolarHBondContact CD-OD2 3.41Å; K92-D373 WeakPolarHBondContact CE-OD2 3.22Å; K92-D373 IonicContact NZ-OD2 2.87Å; K92-D373 PolarHBondContact NZ-OD2 2.98Å
93	G	98.3	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.6	-41.7	176.6	0	0	0	0	0	112.7	R89 I90 L91 L95 S96 G97 Q98 T103	R89-G93 PolarHBondContact O-N 3.17Å; I90-G93 PolarHBondContact O-N 2.81Å; L91-G93 VanDerWaalsContact C-N 3.31Å; L91-G93 PolarHBondContact O-N 2.86Å; G93-L95 PolarHBondContact O-N 2.89Å; G93-S96 CarbonylContact O-C 3.3Å; G93-S96 VanDerWaalsContact O-C 3.3Å; G93-S96 VanDerWaalsContact O-CA 3.29Å; G93-S96 WeakPolarHBondContact O-CA 3.2Å; G93-S96 WeakPolarHBondContact O-CB 3.45Å; G93-S96 PolarHBondContact O-N 2.77Å; G93-G97 PolarHBondContact O-N 2.61Å; G93-G97 VanDerWaalsContact O-N 3.14Å; G93-Q98 PolarHBondContact O-N 3.5Å; G93-T103 WeakPolarHBondContact CA-OG1 3.28Å
94	Q	97.9	Very high	97.2	Very high	40 Å²	40	37.8 Å²	37.8	19%	0.187	21%	0.211	C	C	.	.	H	α-helix	trans	-63.4	-40.9	176.5	-70.6	175.3	-4.6	0	0	112.3	I90 L91 S96 G97 Q98 N99 N410 I412	I90-Q94 HydrophobicContact CG2-CG 4.43Å; I90-Q94 VanDerWaalsContact CG2-NE2 3.32Å; I90-Q94 WeakPolarHBondContact O-CG 3.41Å; I90-Q94 PolarHBondContact O-N 3.19Å; L91-Q94 PolarHBondContact O-N 2.88Å; Q94-S96 PolarHBondContact O-N 2.88Å; Q94-G97 PolarHBondContact O-N 3.16Å; Q94-G97 VanDerWaalsContact O-N 3.09Å; Q94-Q98 WeakPolarHBondContact CA-O 3.46Å; Q94-N99 WeakPolarHBondContact CG-O 3.36Å; Q94-N99 PolarHBondContact NE2-O 2.96Å; Q94-N410 PolarHBondContact NE2-O 2.76Å; Q94-I412 VanDerWaalsContact OE1-N 3.08Å
95	L	97.9	Very high	97.2	Very high	87 Å²	87	37.8 Å²	37.8	46%	0.455	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.9	170.5	-68.9	172.3	0	0	0	113.3	L91 G93 V370	L91-L95 HydrophobicContact CD1-CD1 4.02Å; L91-L95 HydrophobicContact CD1-CD2 4.49Å; L91-L95 HydrophobicContact CD1-CG 3.96Å; L91-L95 HydrophobicContact CD2-CD1 4.39Å; L91-L95 HydrophobicContact CG-CD1 3.78Å; L91-L95 HydrophobicContact CG-CG 4.19Å; L91-L95 WeakPolarHBondContact O-CB 3.27Å; L91-L95 VanDerWaalsContact O-CG 3.27Å; L91-L95 WeakPolarHBondContact O-CG 3.18Å; L91-L95 PolarHBondContact O-N 3.17Å; G93-L95 PolarHBondContact O-N 2.89Å; L95-V370 HydrophobicContact CD1-CG1 4.21Å
96	S	96.9	Very high	97.2	Very high	77 Å²	77	39.7 Å²	39.7	54%	0.538	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	7	175.4	-53.7	0	0	0	0	113.1	K92 G93 Q94	K92-S96 WeakPolarHBondContact O-CB 3.27Å; K92-S96 PolarHBondContact O-N 3.29Å; K92-S96 PolarHBondContact O-OG 2.77Å; G93-S96 CarbonylContact O-C 3.3Å; G93-S96 VanDerWaalsContact O-C 3.3Å; G93-S96 VanDerWaalsContact O-CA 3.29Å; G93-S96 WeakPolarHBondContact O-CA 3.2Å; G93-S96 WeakPolarHBondContact O-CB 3.45Å; G93-S96 PolarHBondContact O-N 2.77Å; Q94-S96 PolarHBondContact O-N 2.88Å
97	G	95.3	Very high	97.2	Very high	74 Å²	74	37.9 Å²	37.9	76%	0.763	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	17.6	-179.5	0	0	0	0	0	115.3	G93 Q94	G93-G97 PolarHBondContact O-N 2.61Å; G93-G97 VanDerWaalsContact O-N 3.14Å; Q94-G97 PolarHBondContact O-N 3.16Å; Q94-G97 VanDerWaalsContact O-N 3.09Å
98	Q	94	Very high	97.2	Very high	104 Å²	104	39.7 Å²	39.7	49%	0.486	22%	0.218	S	C	.	.	S	Bend	trans	-102.3	174.9	175.4	-53.6	-174.6	19.3	0	0	110.7	G93 Q94 E102 T103	G93-Q98 PolarHBondContact O-N 3.5Å; Q94-Q98 WeakPolarHBondContact CA-O 3.46Å; Q98-E102 WeakPolarHBondContact CB-OE1 3.27Å; Q98-T103 PolarHBondContact OE1-OG1 3.42Å; Q98-T103 VanDerWaalsContact OE1-OG1 3.14Å
99	N	92.4	Very high	97.1	Very high	45 Å²	45	44.2 Å²	44.2	24%	0.241	24%	0.238	C	C	.	.			trans	-70	-38.8	179	-74.7	-24	0	0	0	110.9	Q94 E101 E102	Q94-N99 WeakPolarHBondContact CG-O 3.36Å; Q94-N99 PolarHBondContact NE2-O 2.96Å; N99-E101 WeakPolarHBondContact CB-OE2 3.49Å; N99-E102 PolarHBondContact N-OE1 2.9Å
100	G	95.9	Very high	97.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	121.8	-40.5	166.4	0	0	0	0	0	114.1	I90 E102 T103	I90-G100 WeakPolarHBondContact O-CA 3.26Å; G100-E102 VanDerWaalsContact C-N 3.28Å; G100-E102 PolarHBondContact N-OE1 2.87Å; G100-E102 PolarHBondContact O-N 3.47Å; G100-T103 WeakPolarHBondContact O-CB 3.49Å; G100-T103 PolarHBondContact O-N 3.42Å; G100-T103 VanDerWaalsContact O-N 3.15Å
101	E	95.5	Very high	97	Very high	63 Å²	63	44.4 Å²	44.4	29%	0.294	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-29.1	-171.6	-51.2	84	164.5	0	0	112.4	I90 N99 R408 G409	I90-E101 HydrophobicContact CD1-CG 4.23Å; I90-E101 HydrophobicContact CG1-CG 4.11Å; N99-E101 WeakPolarHBondContact CB-OE2 3.49Å; E101-R408 WeakPolarHBondContact OE1-CA 3.46Å; E101-R408 WeakPolarHBondContact OE2-CD 3.41Å; E101-R408 IonicContact OE2-NE 3.68Å; E101-R408 PolarHBondContact OE2-NE 2.94Å; E101-G409 PolarHBondContact OE1-N 2.85Å
102	E	94.5	Very high	97	Very high	48 Å²	48	45.3 Å²	45.3	22%	0.224	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-12.7	175.5	68.7	-70.9	160.9	0	0	115	Q98 N99 G100 R408	Q98-E102 WeakPolarHBondContact CB-OE1 3.27Å; N99-E102 PolarHBondContact N-OE1 2.9Å; G100-E102 VanDerWaalsContact C-N 3.28Å; G100-E102 PolarHBondContact N-OE1 2.87Å; G100-E102 PolarHBondContact O-N 3.47Å; E102-R408 IonicContact OE2-CZ 2.68Å; E102-R408 IonicContact OE2-NE 3.16Å; E102-R408 PolarHBondContact OE2-NE 3.44Å; E102-R408 IonicContact OE2-NH2 3.58Å; E102-R408 PolarHBondContact OE2-NH2 2.75Å
103	T	96.4	Very high	97	Very high	16 Å²	16	47.8 Å²	47.8	10%	0.098	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-71.3	141.2	-178.6	-72.9	0	0	0	0	110.6	R89 K92 G93 Q98 G100	R89-T103 WeakPolarHBondContact CD-O 3.41Å; R89-T103 WeakPolarHBondContact CG-O 3.43Å; K92-T103 HydrophobicContact CB-CG2 4.38Å; K92-T103 HydrophobicContact CD-CG2 4.26Å; K92-T103 HydrophobicContact CG-CG2 4.28Å; G93-T103 WeakPolarHBondContact CA-OG1 3.28Å; Q98-T103 PolarHBondContact OE1-OG1 3.42Å; Q98-T103 VanDerWaalsContact OE1-OG1 3.14Å; G100-T103 WeakPolarHBondContact O-CB 3.49Å; G100-T103 PolarHBondContact O-N 3.42Å; G100-T103 VanDerWaalsContact O-N 3.15Å
104	Q	97.6	Very high	97	Very high	98 Å²	98	48 Å²	48	46%	0.458	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-94.6	130.1	169.6	-71.8	-178.7	-24.4	0	0	111.5	K92 D108 K109	K92-Q104 PolarHBondContact NZ-O 3.21Å; Q104-D108 HydrophobicContact CB-CB 4.22Å; Q104-D108 HydrophobicContact CG-CB 4.41Å; Q104-K109 HydrophobicContact CB-CG 4.4Å
105	L	98.8	Very high	97.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-60.5	160.8	157.9	-62.5	178.1	0	0	0	110	V85 R89 K92 M107 D108 K109 D373	V85-L105 HydrophobicContact CG1-CD1 3.68Å; R89-L105 HydrophobicContact CB-CD1 4.12Å; R89-L105 HydrophobicContact CB-CD2 4.26Å; R89-L105 HydrophobicContact CB-CG 3.9Å; R89-L105 HydrophobicContact CG-CG 4.21Å; K92-L105 HydrophobicContact CB-CD2 4.19Å; K92-L105 HydrophobicContact CD-CD2 3.7Å; L105-M107 VanDerWaalsContact C-N 3.26Å; L105-M107 HydrophobicContact CB-CG 3.78Å; L105-M107 HydrophobicContact CD1-CE 4.15Å; L105-M107 HydrophobicContact CD1-CG 3.84Å; L105-M107 HydrophobicContact CD1-SD 3.91Å; L105-M107 HydrophobicContact CG-CG 4.48Å; L105-D108 HydrophobicContact CB-CB 4.25Å; L105-D108 WeakPolarHBondContact CB-OD2 3.35Å; L105-D108 PolarHBondContact N-OD2 3.07Å; L105-D108 PolarHBondContact O-N 3.18Å; L105-K109 WeakPolarHBondContact O-CE 3.38Å; L105-D373 WeakPolarHBondContact CA-OD2 3.24Å; L105-D373 WeakPolarHBondContact CB-OD1 3.49Å; L105-D373 HydrophobicContact CD2-CB 4.29Å
106	E	98.8	Very high	97.1	Very high	43 Å²	43	45.1 Å²	45.1	20%	0.201	25%	0.254	C	S	.	.	S	Bend	trans	-69.4	-28.4	169.8	-53.8	-51.9	128	0	0	111.2	K92 K109 F110 D373 I376	K92-E106 IonicContact NZ-OE1 3.27Å; K92-E106 PolarHBondContact NZ-OE1 3.37Å; E106-K109 IonicContact OE1-NZ 3.83Å; E106-K109 PolarHBondContact OE1-NZ 3.31Å; E106-K109 IonicContact OE2-NZ 2.71Å; E106-K109 PolarHBondContact OE2-NZ 3.37Å; E106-F110 WeakPolarHBondContact O-CD1 2.97Å; E106-F110 WeakPolarHBondContact O-CE1 3.17Å; E106-D373 WeakPolarHBondContact CA-OD1 3.32Å; E106-D373 WeakPolarHBondContact CB-OD1 3.27Å; E106-D373 WeakPolarHBondContact CG-O 3.2Å; E106-D373 PolarHBondContact N-OD1 3Å; E106-D373 PolarHBondContact N-OD2 3.39Å; E106-I376 HydrophobicContact CB-CB 4.41Å; E106-I376 HydrophobicContact CB-CG2 3.96Å
107	M	98.5	Very high	97.2	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-69.7	-31.7	169.3	71.7	-172.2	76	0	0	114	M80 V85 L105 K109 F110 D373 I376 V392 F479	M80-M107 HydrophobicContact CE-CE 3.92Å; M80-M107 HydrophobicContact CE-SD 3.89Å; M80-M107 HydrophobicContact SD-CE 4Å; M80-M107 HydrophobicContact SD-SD 4.5Å; V85-M107 HydrophobicContact CG1-SD 4.01Å; V85-M107 HydrophobicContact CG2-SD 4.25Å; L105-M107 VanDerWaalsContact C-N 3.26Å; L105-M107 HydrophobicContact CB-CG 3.78Å; L105-M107 HydrophobicContact CD1-CE 4.15Å; L105-M107 HydrophobicContact CD1-CG 3.84Å; L105-M107 HydrophobicContact CD1-SD 3.91Å; L105-M107 HydrophobicContact CG-CG 4.48Å; M107-K109 PolarHBondContact O-N 3.25Å; M107-K109 VanDerWaalsContact O-N 3.12Å; M107-F110 WeakPolarHBondContact O-CB 3.05Å; M107-F110 WeakPolarHBondContact O-CD1 3.38Å; M107-F110 PolarHBondContact O-N 2.73Å; M107-D373 HydrophobicContact CE-CB 4.2Å; M107-D373 PolarHBondContact N-OD1 3.1Å; M107-I376 HydrophobicContact CB-CD1 4.42Å; M107-I376 HydrophobicContact CE-CD1 3.9Å; M107-V392 HydrophobicContact CB-CB 4.36Å; M107-V392 HydrophobicContact CB-CG1 4.2Å; M107-V392 HydrophobicContact CB-CG2 4.2Å; M107-V392 HydrophobicContact CE-CG1 4.35Å; M107-V392 HydrophobicContact SD-CG1 4.25Å; M107-F479 HydrophobicContact CB-CD2 4.36Å; M107-F479 HydrophobicContact CB-CG 4.34Å; M107-F479 HydrophobicContact CG-CE2 4.32Å; M107-F479 HydrophobicContact CG-CZ 4.36Å; M107-F479 WeakPolarHBondContact O-CD1 3.36Å; M107-F479 HydrophobicContact SD-CD2 4.43Å; M107-F479 HydrophobicContact SD-CE2 4Å; M107-F479 HydrophobicContact SD-CZ 4.39Å
108	D	98.6	Very high	97.4	Very high	38 Å²	38	41.1 Å²	41.1	20%	0.203	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-64	-18.5	177	-66.6	-30.1	0	0	0	113	R89 Q104 L105 F110	R89-D108 IonicContact CZ-OD1 2.81Å; R89-D108 IonicContact CZ-OD2 3.25Å; R89-D108 IonicContact NE-OD1 3.65Å; R89-D108 PolarHBondContact NE-OD1 3.45Å; R89-D108 IonicContact NE-OD2 2.8Å; R89-D108 PolarHBondContact NE-OD2 2.88Å; R89-D108 IonicContact NH2-OD1 2.71Å; R89-D108 PolarHBondContact NH2-OD1 3.34Å; R89-D108 IonicContact NH2-OD2 2.63Å; Q104-D108 HydrophobicContact CB-CB 4.22Å; Q104-D108 HydrophobicContact CG-CB 4.41Å; L105-D108 HydrophobicContact CB-CB 4.25Å; L105-D108 WeakPolarHBondContact CB-OD2 3.35Å; L105-D108 PolarHBondContact N-OD2 3.07Å; L105-D108 PolarHBondContact O-N 3.18Å; D108-F110 VanDerWaalsContact C-N 3.29Å
109	K	97.8	Very high	97.6	Very high	97 Å²	97	41 Å²	41	42%	0.422	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-89	9.1	-179.1	-56.7	169.1	-161.7	171.9	0	113	Q104 L105 E106 M107	Q104-K109 HydrophobicContact CB-CG 4.4Å; L105-K109 WeakPolarHBondContact O-CE 3.38Å; E106-K109 IonicContact OE1-NZ 3.83Å; E106-K109 PolarHBondContact OE1-NZ 3.31Å; E106-K109 IonicContact OE2-NZ 2.71Å; E106-K109 PolarHBondContact OE2-NZ 3.37Å; M107-K109 PolarHBondContact O-N 3.25Å; M107-K109 VanDerWaalsContact O-N 3.12Å
110	F	98.3	Very high	98	Very high	6 Å²	6	39 Å²	39	3%	0.026	19%	0.191	C	C	.	.			trans	-89.6	123.5	176.7	-75.7	53.3	0	0	0	108.3	E106 M107 D108 F112 I376 V392 F479 K481	E106-F110 WeakPolarHBondContact O-CD1 2.97Å; E106-F110 WeakPolarHBondContact O-CE1 3.17Å; M107-F110 WeakPolarHBondContact O-CB 3.05Å; M107-F110 WeakPolarHBondContact O-CD1 3.38Å; M107-F110 PolarHBondContact O-N 2.73Å; D108-F110 VanDerWaalsContact C-N 3.29Å; F110-F112 VanDerWaalsContact C-N 3.3Å; F110-F112 PolarHBondContact O-N 3.11Å; F110-I376 HydrophobicContact CE1-CG2 3.64Å; F110-I376 HydrophobicContact CZ-CG2 3.72Å; F110-V392 HydrophobicContact CD2-CG2 4.41Å; F110-V392 HydrophobicContact CE1-CG2 4.23Å; F110-V392 HydrophobicContact CE2-CG2 3.69Å; F110-V392 HydrophobicContact CZ-CG2 3.58Å; F110-F479 HydrophobicContact CB-CB 3.9Å; F110-F479 HydrophobicContact CD2-CB 4.16Å; F110-F479 HydrophobicContact CG-CB 4.13Å; F110-K481 HydrophobicContact CB-CB 4.41Å; F110-K481 HydrophobicContact CD1-CD 3.83Å; F110-K481 HydrophobicContact CD2-CB 3.81Å; F110-K481 HydrophobicContact CD2-CD 3.81Å; F110-K481 HydrophobicContact CD2-CG 3.65Å; F110-K481 HydrophobicContact CE1-CD 3.82Å; F110-K481 HydrophobicContact CE2-CB 4.33Å; F110-K481 HydrophobicContact CE2-CD 3.77Å; F110-K481 HydrophobicContact CE2-CG 3.66Å; F110-K481 HydrophobicContact CG-CB 4.12Å; F110-K481 HydrophobicContact CG-CD 3.84Å; F110-K481 HydrophobicContact CG-CG 4.13Å; F110-K481 HydrophobicContact CZ-CD 3.78Å; F110-K481 HydrophobicContact CZ-CG 4.18Å
111	P	97.3	Very high	98.1	Very high	59 Å²	59	42.2 Å²	42.2	38%	0.383	21%	0.211	S	C	.	.	S	Bend	trans	-77	-11	-166.8	29.7	-35.8	0	0	0	115	Q62	Q62-P111 HydrophobicContact CG-CB 4.35Å
112	F	98.4	Very high	98.2	Very high	24 Å²	24	43.6 Å²	43.6	11%	0.105	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.7	178.1	-54	-68.1	0	0	0	109.9	Q62 F64 F110 F479 A480 A485 H486	Q62-F112 HydrophobicContact CG-CE1 4.11Å; Q62-F112 HydrophobicContact CG-CZ 3.76Å; F64-F112 HydrophobicContact CD1-CE1 4.27Å; F64-F112 HydrophobicContact CD1-CZ 4.37Å; F64-F112 AromaticContact CE1-CE1 3.75Å; F64-F112 HydrophobicContact CE1-CE1 3.75Å; F64-F112 HydrophobicContact CE1-CZ 4.25Å; F64-F112 HydrophobicContact CZ-CE1 4.15Å; F110-F112 VanDerWaalsContact C-N 3.3Å; F110-F112 PolarHBondContact O-N 3.11Å; F112-F479 CarbonylContact O-C 3.43Å; F112-F479 WeakPolarHBondContact O-CA 3.41Å; F112-A480 HydrophobicContact CB-CB 4.32Å; F112-A480 PolarHBondContact N-O 3.13Å; F112-A480 PolarHBondContact O-N 3.41Å; F112-A485 HydrophobicContact CD2-CB 3.57Å; F112-A485 HydrophobicContact CE2-CB 4.07Å; F112-H486 HydrophobicContact CD1-CB 3.94Å; F112-H486 HydrophobicContact CD2-CB 4.36Å; F112-H486 HydrophobicContact CE1-CB 3.59Å; F112-H486 HydrophobicContact CE2-CB 4.04Å; F112-H486 HydrophobicContact CG-CB 4.31Å; F112-H486 HydrophobicContact CZ-CB 3.65Å
113	V	98.6	Very high	98.4	Very high	81 Å²	81	42.2 Å²	42.2	49%	0.491	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	136	179.2	-175.9	0	0	0	0	109.8	V478 F479	V113-V478 CarbonylContact C-O 3.56Å; V113-V478 VanDerWaalsContact CA-O 3.26Å; V113-V478 WeakPolarHBondContact CA-O 3.3Å; V113-F479 HydrophobicContact CG2-CD1 3.81Å; V113-F479 HydrophobicContact CG2-CE1 4.3Å
114	S	98.8	Very high	98.5	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.035	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	169.7	168.7	63.7	0	0	0	0	111.6	V478 H489 G490	S114-V478 PolarHBondContact N-O 2.86Å; S114-V478 PolarHBondContact O-N 3.21Å; S114-H489 VanDerWaalsContact CB-C 3.47Å; S114-G490 CarbonylContact C-O 3.42Å; S114-G490 VanDerWaalsContact CA-O 3.3Å; S114-G490 WeakPolarHBondContact CA-O 3.49Å; S114-G490 VanDerWaalsContact CB-O 3.24Å; S114-G490 WeakPolarHBondContact CB-O 3.29Å
115	L	98.9	Very high	98.6	Very high	65 Å²	65	48.4 Å²	48.4	34%	0.34	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	142.7	169.2	-71	178.1	0	0	0	110.3	D475 V476 G490 V491 Q492	L115-D475 HydrophobicContact CB-CB 4.07Å; L115-D475 HydrophobicContact CD1-CB 4.37Å; L115-D475 HydrophobicContact CD2-CB 4.29Å; L115-D475 HydrophobicContact CG-CB 4.48Å; L115-V476 CarbonylContact C-O 3.58Å; L115-V476 WeakPolarHBondContact CA-O 3.4Å; L115-G490 PolarHBondContact N-O 3.05Å; L115-V491 HydrophobicContact CB-CG1 4.22Å; L115-V491 HydrophobicContact CB-CG2 4.25Å; L115-V491 HydrophobicContact CD1-CG2 4.35Å; L115-Q492 PolarHBondContact O-N 3.04Å
116	A	98.9	Very high	98.6	Very high	1 Å²	1	48.5 Å²	48.5	1%	0.008	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	120.5	176.4	0	0	0	0	0	110.9	T118 D475 V476 V478 Q494 I497	A116-T118 WeakPolarHBondContact O-CG2 3.22Å; A116-T118 PolarHBondContact O-N 2.75Å; A116-D475 WeakPolarHBondContact O-CA 3.27Å; A116-V476 HydrophobicContact CB-CG2 4.13Å; A116-V476 PolarHBondContact N-O 3.11Å; A116-V476 PolarHBondContact O-N 3.41Å; A116-V476 VanDerWaalsContact O-N 3.13Å; A116-V478 HydrophobicContact CB-CG2 3.61Å; A116-Q494 HydrophobicContact CB-CB 4.2Å; A116-I497 HydrophobicContact CB-CD1 4.43Å
117	K	98.9	Very high	98.6	Very high	66 Å²	66	47 Å²	47	29%	0.287	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	116.4	173.5	-71.9	173.1	-75.5	164.8	0	110.5	Y119 K140 D475 V491 Q492 E493 Q494	K117-Y119 HydrophobicContact CB-CD1 4.12Å; K117-Y119 HydrophobicContact CB-CE1 4.14Å; K117-K140 WeakPolarHBondContact O-CE 3.39Å; K117-K140 PolarHBondContact O-NZ 3.22Å; K117-D475 WeakPolarHBondContact CA-OD1 3.15Å; K117-D475 VanDerWaalsContact CG-OD1 3.23Å; K117-D475 WeakPolarHBondContact CG-OD1 3.13Å; K117-V491 HydrophobicContact CD-CG1 4.34Å; K117-V491 HydrophobicContact CG-CG1 4.22Å; K117-Q492 VanDerWaalsContact CE-O 3.32Å; K117-Q492 WeakPolarHBondContact CE-O 3.26Å; K117-Q492 PolarHBondContact N-O 2.71Å; K117-E493 WeakPolarHBondContact CE-OE1 3.35Å; K117-E493 IonicContact NZ-OE1 3.85Å; K117-E493 PolarHBondContact NZ-OE1 3.1Å; K117-Q494 WeakPolarHBondContact O-CB 3.45Å; K117-Q494 PolarHBondContact O-N 2.93Å
118	T	98.9	Very high	98.6	Very high	1 Å²	1	47 Å²	47	1%	0.006	24%	0.244	C	C	.	.			trans	-88.7	-23.6	-164.8	56.6	0	0	0	0	114.8	A116 D395 E474 V476	A116-T118 WeakPolarHBondContact O-CG2 3.22Å; A116-T118 PolarHBondContact O-N 2.75Å; T118-D395 WeakPolarHBondContact CB-O 3.48Å; T118-D395 VanDerWaalsContact CG2-O 3.26Å; T118-D395 WeakPolarHBondContact CG2-O 3.4Å; T118-E474 PolarHBondContact OG1-O 2.86Å; T118-V476 HydrophobicContact CG2-CB 4.22Å; T118-V476 HydrophobicContact CG2-CG1 3.79Å; T118-V476 HydrophobicContact CG2-CG2 3.59Å
119	Y	98.9	Very high	98.6	Very high	101 Å²	101	45.1 Å²	45.1	40%	0.396	23%	0.234	S	C	.	.			trans	-43.3	136.9	-174.3	76.9	-89.6	0	0	0	115	K117 K140 E493	K117-Y119 HydrophobicContact CB-CD1 4.12Å; K117-Y119 HydrophobicContact CB-CE1 4.14Å; Y119-K140 HydrophobicContact CE2-CD 4.31Å; Y119-K140 WeakPolarHBondContact O-CD 3.17Å; Y119-K140 WeakPolarHBondContact O-CE 3.45Å; Y119-K140 PolarHBondContact O-NZ 2.89Å; Y119-E493 WeakPolarHBondContact CE1-OE2 3.06Å; Y119-E493 PolarHBondContact OH-OE1 3.04Å; Y119-E493 PolarHBondContact OH-OE2 2.95Å
120	N	98.9	Very high	98.6	Very high	3 Å²	3	40.5 Å²	40.5	2%	0.016	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-83.2	163.7	171.7	-64	159.9	0	0	0	110.6	N122 A123 P126 D127 G130 T131 A141	N120-N122 PolarHBondContact O-N 3.02Å; N120-A123 HydrophobicContact CB-CB 4.3Å; N120-A123 PolarHBondContact N-O 2.69Å; N120-A123 PolarHBondContact O-N 3.16Å; N120-A123 VanDerWaalsContact O-O 3.09Å; N120-P126 HydrophobicContact CB-CB 4.27Å; N120-P126 WeakPolarHBondContact ND2-CB 3.41Å; N120-P126 WeakPolarHBondContact OD1-CA 3.19Å; N120-P126 WeakPolarHBondContact OD1-CB 3.46Å; N120-D127 PolarHBondContact OD1-N 2.75Å; N120-D127 PolarHBondContact OD1-OD1 3.03Å; N120-G130 WeakPolarHBondContact ND2-CA 3.27Å; N120-T131 PolarHBondContact ND2-N 3.34Å; N120-A141 WeakPolarHBondContact CB-O 3.38Å
121	T	98.6	Very high	98.7	Very high	69 Å²	69	40.2 Å²	40.2	42%	0.423	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-17.9	-175.8	45.2	0	0	0	0	114.6	K140 A141 N142 A150	T121-K140 HydrophobicContact CG2-CB 3.89Å; T121-A141 PolarHBondContact N-O 3.14Å; T121-A141 PolarHBondContact OG1-O 3.03Å; T121-N142 PolarHBondContact OG1-N 3.07Å; T121-N142 PolarHBondContact OG1-OD1 3.07Å; T121-A150 HydrophobicContact CG2-CB 3.78Å; T121-A150 WeakPolarHBondContact OG1-CB 3.4Å
122	N	98.4	Very high	98.8	Very high	92 Å²	92	37.4 Å²	37.4	49%	0.492	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-4.4	177.5	66.1	-32.5	0	0	0	114.3	N120 N142 E143	N120-N122 PolarHBondContact O-N 3.02Å; N122-N142 VanDerWaalsContact OD1-CA 3.3Å; N122-N142 WeakPolarHBondContact OD1-CA 3.35Å; N122-E143 PolarHBondContact OD1-N 3.34Å
123	A	98.4	Very high	98.8	Very high	19 Å²	19	36.3 Å²	36.3	16%	0.157	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-143.9	130.8	-171.9	0	0	0	0	0	112.5	N120 V125 E143	N120-A123 HydrophobicContact CB-CB 4.3Å; N120-A123 PolarHBondContact N-O 2.69Å; N120-A123 PolarHBondContact O-N 3.16Å; N120-A123 VanDerWaalsContact O-O 3.09Å; A123-V125 WeakPolarHBondContact CB-O 3.18Å; A123-E143 HydrophobicContact CB-CB 4.3Å
124	Q	98.6	Very high	98.8	Very high	172 Å²	172	32.4 Å²	32.4	80%	0.804	17%	0.166	S	C	*	.	S	Bend	trans	-74.7	-51.3	-178	-65.1	178	35.2	0	0	111.5
125	V	98.8	Very high	98.8	Very high	71 Å²	71	32.2 Å²	32.2	43%	0.43	16%	0.164	S	C	.	.	S	Bend	trans	-79.7	119.9	158.8	-179.6	0	0	0	0	106.2	A123 H471	A123-V125 WeakPolarHBondContact CB-O 3.18Å; V125-H471 HydrophobicContact CG1-CB 3.83Å; V125-H471 VanDerWaalsContact CG1-O 3.26Å; V125-H471 WeakPolarHBondContact CG1-O 3.44Å
126	P	98.8	Very high	98.8	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.026	15%	0.148	C	C	.	.			trans	-90.3	179.9	-173.9	39	-39.8	0	0	0	112.5	N120 T131 H396 H471	N120-P126 HydrophobicContact CB-CB 4.27Å; N120-P126 WeakPolarHBondContact ND2-CB 3.41Å; N120-P126 WeakPolarHBondContact OD1-CA 3.19Å; N120-P126 WeakPolarHBondContact OD1-CB 3.46Å; P126-T131 HydrophobicContact CB-CG2 3.71Å; P126-T131 HydrophobicContact CG-CG2 3.78Å; P126-H396 HydrophobicContact CG-CB 3.82Å; P126-H471 PolarHBondContact O-ND1 2.89Å
127	D	98.8	Very high	98.8	Very high	11 Å²	11	29.3 Å²	29.3	6%	0.059	15%	0.149	C	C	.	.			trans	-116.4	161.4	161.6	93.8	-46.3	0	0	0	112.9	N120 A129 G130 T131 E143 G144 R202	N120-D127 PolarHBondContact OD1-N 2.75Å; N120-D127 PolarHBondContact OD1-OD1 3.03Å; D127-A129 PolarHBondContact O-N 3.27Å; D127-A129 PolarHBondContact OD1-N 3.02Å; D127-A129 VanDerWaalsContact OD2-CB 3.3Å; D127-A129 WeakPolarHBondContact OD2-CB 3.27Å; D127-A129 PolarHBondContact OD2-N 2.77Å; D127-G130 PolarHBondContact O-N 2.89Å; D127-G130 PolarHBondContact OD1-N 2.79Å; D127-T131 WeakPolarHBondContact O-CG2 3.28Å; D127-T131 PolarHBondContact O-N 3.35Å; D127-T131 VanDerWaalsContact O-N 3.14Å; D127-T131 PolarHBondContact O-OG1 3.36Å; D127-T131 VanDerWaalsContact O-OG1 3.1Å; D127-E143 HydrophobicContact CB-CG 3.73Å; D127-E143 VanDerWaalsContact OD1-CA 3.31Å; D127-E143 WeakPolarHBondContact OD1-CA 3.32Å; D127-G144 PolarHBondContact OD1-N 2.81Å; D127-G144 WeakPolarHBondContact OD2-CA 3.32Å; D127-G144 PolarHBondContact OD2-N 2.88Å; D127-R202 WeakPolarHBondContact OD2-CD 3.44Å; D127-R202 IonicContact OD2-CZ 2.76Å; D127-R202 IonicContact OD2-NE 2.73Å; D127-R202 IonicContact OD2-NH1 2.75Å; D127-R202 PolarHBondContact OD2-NH1 3.42Å
128	S	98.8	Very high	98.8	Very high	1 Å²	1	26.2 Å²	26.2	1%	0.007	14%	0.137	C	C	.	.	H	α-helix	trans	-56.8	-12.5	177.7	15	0	0	0	0	116	T131 A132 R202 D395 H396	S128-T131 VanDerWaalsContact CA-OG1 3.22Å; S128-T131 WeakPolarHBondContact CA-OG1 3.42Å; S128-T131 PolarHBondContact O-OG1 3.39Å; S128-A132 WeakPolarHBondContact O-CB 3.34Å; S128-A132 PolarHBondContact O-N 2.01Å; S128-R202 PolarHBondContact OG-NH1 2.81Å; S128-R202 PolarHBondContact OG-NH2 3.19Å; S128-D395 VanDerWaalsContact CA-OD2 3.23Å; S128-D395 WeakPolarHBondContact CA-OD2 3.4Å; S128-D395 VanDerWaalsContact CB-OD2 3.29Å; S128-D395 WeakPolarHBondContact CB-OD2 3.48Å; S128-H396 PolarHBondContact N-NE2 3.25Å
129	A	98.8	Very high	98.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-88.1	-48.6	176.2	0	0	0	0	0	112.5	D127 T131 A132 T133 T145 V146 A190 R202	D127-A129 PolarHBondContact O-N 3.27Å; D127-A129 PolarHBondContact OD1-N 3.02Å; D127-A129 VanDerWaalsContact OD2-CB 3.3Å; D127-A129 WeakPolarHBondContact OD2-CB 3.27Å; D127-A129 PolarHBondContact OD2-N 2.77Å; A129-T131 VanDerWaalsContact C-N 3.29Å; A129-T131 PolarHBondContact O-N 3.42Å; A129-A132 PolarHBondContact O-N 3.41Å; A129-T133 PolarHBondContact O-N 2.71Å; A129-T133 VanDerWaalsContact O-N 3.08Å; A129-T133 PolarHBondContact O-OG1 3.12Å; A129-T145 CarbonylContact C-O 3.52Å; A129-T145 WeakPolarHBondContact CB-O 3.28Å; A129-T145 VanDerWaalsContact O-O 3.1Å; A129-V146 HydrophobicContact CB-CG1 3.56Å; A129-A190 HydrophobicContact CB-CB 3.89Å; A129-R202 HydrophobicContact CB-CB 3.99Å
130	G	98.8	Very high	98.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.7	-35	176.2	0	0	0	0	0	112.3	N120 D127 A134	N120-G130 WeakPolarHBondContact ND2-CA 3.27Å; D127-G130 PolarHBondContact O-N 2.89Å; D127-G130 PolarHBondContact OD1-N 2.79Å; G130-A134 PolarHBondContact O-N 3.04Å
131	T	98.9	Very high	98.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-71.2	-45.4	174.2	57.7	0	0	0	0	111.8	N120 P126 D127 S128 A129 T133 A134 Y135 D395 Q494	N120-T131 PolarHBondContact ND2-N 3.34Å; P126-T131 HydrophobicContact CB-CG2 3.71Å; P126-T131 HydrophobicContact CG-CG2 3.78Å; D127-T131 WeakPolarHBondContact O-CG2 3.28Å; D127-T131 PolarHBondContact O-N 3.35Å; D127-T131 VanDerWaalsContact O-N 3.14Å; D127-T131 PolarHBondContact O-OG1 3.36Å; D127-T131 VanDerWaalsContact O-OG1 3.1Å; S128-T131 VanDerWaalsContact CA-OG1 3.22Å; S128-T131 WeakPolarHBondContact CA-OG1 3.42Å; S128-T131 PolarHBondContact O-OG1 3.39Å; A129-T131 VanDerWaalsContact C-N 3.29Å; A129-T131 PolarHBondContact O-N 3.42Å; T131-T133 VanDerWaalsContact C-N 3.26Å; T131-T133 PolarHBondContact O-N 3.29Å; T131-A134 CarbonylContact O-C 3.13Å; T131-A134 VanDerWaalsContact O-CA 3.28Å; T131-A134 WeakPolarHBondContact O-CA 3.35Å; T131-A134 WeakPolarHBondContact O-CB 3.33Å; T131-A134 PolarHBondContact O-N 3.08Å; T131-Y135 VanDerWaalsContact C-CD1 3.45Å; T131-Y135 VanDerWaalsContact C-CE1 3.41Å; T131-Y135 WeakPolarHBondContact O-CD1 3.44Å; T131-Y135 WeakPolarHBondContact O-CE1 3.33Å; T131-Y135 PolarHBondContact O-N 3.06Å; T131-D395 HydrophobicContact CG2-CB 4.4Å; T131-D395 WeakPolarHBondContact CG2-O 3.08Å; T131-D395 WeakPolarHBondContact OG1-CB 3.39Å; T131-D395 PolarHBondContact OG1-OD2 2.63Å; T131-Q494 VanDerWaalsContact CA-OE1 3.3Å; T131-Q494 VanDerWaalsContact CB-OE1 3.23Å
132	A	98.9	Very high	98.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-38	178.3	0	0	0	0	0	112.3	S128 A129 A134 Y135 L136 A194	S128-A132 WeakPolarHBondContact O-CB 3.34Å; S128-A132 PolarHBondContact O-N 2.01Å; A129-A132 PolarHBondContact O-N 3.41Å; A132-A134 VanDerWaalsContact C-N 3.28Å; A132-A134 PolarHBondContact O-N 3.17Å; A132-Y135 VanDerWaalsContact CA-CZ 3.44Å; A132-Y135 HydrophobicContact CB-CE1 4.07Å; A132-Y135 HydrophobicContact CB-CE2 4.46Å; A132-Y135 WeakPolarHBondContact CB-OH 3.23Å; A132-L136 HydrophobicContact CB-CD1 4.39Å; A132-L136 WeakPolarHBondContact O-CB 3.44Å; A132-L136 WeakPolarHBondContact O-CG 3.32Å; A132-L136 PolarHBondContact O-N 3.3Å; A132-A194 HydrophobicContact CB-CB 3.59Å
133	T	98.9	Very high	98.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.6	-36	171.8	-50.6	0	0	0	0	111.8	A129 T131 C137 G138 V139 A141 T145 G147 V165	A129-T133 PolarHBondContact O-N 2.71Å; A129-T133 VanDerWaalsContact O-N 3.08Å; A129-T133 PolarHBondContact O-OG1 3.12Å; T131-T133 VanDerWaalsContact C-N 3.26Å; T131-T133 PolarHBondContact O-N 3.29Å; T133-C137 HydrophobicContact CG2-CB 4.32Å; T133-C137 WeakPolarHBondContact O-CA 3.28Å; T133-C137 VanDerWaalsContact O-CB 3.26Å; T133-C137 WeakPolarHBondContact O-CB 3.4Å; T133-C137 PolarHBondContact O-N 3.45Å; T133-G138 PolarHBondContact O-N 3.49Å; T133-V139 CarbonylContact C-O 3.49Å; T133-V139 VanDerWaalsContact C-O 3.24Å; T133-V139 VanDerWaalsContact O-O 3.13Å; T133-A141 HydrophobicContact CG2-CB 3.73Å; T133-T145 PolarHBondContact OG1-O 2.83Å; T133-G147 PolarHBondContact OG1-N 2.87Å; T133-V165 HydrophobicContact CG2-CG2 3.49Å; T133-V165 VanDerWaalsContact CG2-CG2 3.49Å
134	A	98.9	Very high	98.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-64.7	-60.8	172.8	0	0	0	0	0	112.4	G130 T131 A132 L136 G138 V139 K140 Q494 N495 P498	G130-A134 PolarHBondContact O-N 3.04Å; T131-A134 CarbonylContact O-C 3.13Å; T131-A134 VanDerWaalsContact O-CA 3.28Å; T131-A134 WeakPolarHBondContact O-CA 3.35Å; T131-A134 WeakPolarHBondContact O-CB 3.33Å; T131-A134 PolarHBondContact O-N 3.08Å; A132-A134 VanDerWaalsContact C-N 3.28Å; A132-A134 PolarHBondContact O-N 3.17Å; A134-L136 PolarHBondContact O-N 2.92Å; A134-G138 VanDerWaalsContact O-CA 3.28Å; A134-G138 WeakPolarHBondContact O-CA 2.97Å; A134-G138 PolarHBondContact O-N 2.89Å; A134-V139 WeakPolarHBondContact CA-O 3.4Å; A134-V139 PolarHBondContact N-O 3.42Å; A134-K140 HydrophobicContact CB-CG 3.86Å; A134-Q494 HydrophobicContact CB-CG 4.28Å; A134-N495 HydrophobicContact CB-CB 3.94Å; A134-N495 WeakPolarHBondContact O-CA 3.44Å; A134-P498 WeakPolarHBondContact O-CG 3.49Å
135	Y	98.9	Very high	98.8	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-80.1	-9.3	-172.8	66.8	-103.1	0	0	0	115	L74 L76 T131 A132 T191 D395 Q494 P498	L74-Y135 HydrophobicContact CD2-CD2 3.72Å; L74-Y135 HydrophobicContact CD2-CE2 4.27Å; L76-Y135 HydrophobicContact CD2-CD1 4.2Å; L76-Y135 HydrophobicContact CD2-CD2 4.08Å; L76-Y135 HydrophobicContact CD2-CE1 3.81Å; L76-Y135 HydrophobicContact CD2-CE2 3.65Å; L76-Y135 HydrophobicContact CD2-CG 4.35Å; L76-Y135 HydrophobicContact CG-CE1 4.3Å; L76-Y135 HydrophobicContact CG-CE2 3.77Å; T131-Y135 VanDerWaalsContact C-CD1 3.45Å; T131-Y135 VanDerWaalsContact C-CE1 3.41Å; T131-Y135 WeakPolarHBondContact O-CD1 3.44Å; T131-Y135 WeakPolarHBondContact O-CE1 3.33Å; T131-Y135 PolarHBondContact O-N 3.06Å; A132-Y135 VanDerWaalsContact CA-CZ 3.44Å; A132-Y135 HydrophobicContact CB-CE1 4.07Å; A132-Y135 HydrophobicContact CB-CE2 4.46Å; A132-Y135 WeakPolarHBondContact CB-OH 3.23Å; Y135-T191 WeakPolarHBondContact OH-CB 3.44Å; Y135-T191 WeakPolarHBondContact OH-CG2 3.33Å; Y135-T191 PolarHBondContact OH-OG1 3.06Å; Y135-D395 HydrophobicContact CD1-CB 4.1Å; Y135-D395 HydrophobicContact CE1-CB 3.37Å; Y135-Q494 HydrophobicContact CD1-CG 4.32Å; Y135-P498 WeakPolarHBondContact O-CB 3.42Å; Y135-P498 VanDerWaalsContact O-CD 3.27Å; Y135-P498 WeakPolarHBondContact O-CD 3.29Å; Y135-P498 WeakPolarHBondContact O-CG 3.34Å
136	L	98.9	Very high	98.8	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-106.3	-37.1	172.7	-57.8	174.4	0	0	0	113.8	L74 A132 A134 S167 I168 T191 A194 A195 Y345 L347	L74-L136 HydrophobicContact CD2-CD2 3.84Å; A132-L136 HydrophobicContact CB-CD1 4.39Å; A132-L136 WeakPolarHBondContact O-CB 3.44Å; A132-L136 WeakPolarHBondContact O-CG 3.32Å; A132-L136 PolarHBondContact O-N 3.3Å; A134-L136 PolarHBondContact O-N 2.92Å; L136-S167 CarbonylContact O-C 3.54Å; L136-S167 WeakPolarHBondContact O-CA 3.14Å; L136-I168 WeakPolarHBondContact O-CG2 3.45Å; L136-I168 PolarHBondContact O-N 3.04Å; L136-T191 VanDerWaalsContact CD1-O 3.25Å; L136-T191 WeakPolarHBondContact CD1-O 3.47Å; L136-A194 HydrophobicContact CD1-CB 4.26Å; L136-A195 HydrophobicContact CD1-CB 3.97Å; L136-Y345 WeakPolarHBondContact CD2-OH 3.31Å; L136-L347 HydrophobicContact CD1-CD2 4.08Å; L136-L347 HydrophobicContact CD2-CD1 4.28Å; L136-L347 HydrophobicContact CD2-CD2 4.25Å
137	C	98.9	Very high	98.8	Very high	4 Å²	4	9.1 Å²	9.1	3%	0.027	5%	0.048	C	C	.	.	H	α-helix	trans	-104.9	-7.6	-177.6	-55.3	0	0	0	0	114.1	T133 V139 V165 S167	T133-C137 HydrophobicContact CG2-CB 4.32Å; T133-C137 WeakPolarHBondContact O-CA 3.28Å; T133-C137 VanDerWaalsContact O-CB 3.26Å; T133-C137 WeakPolarHBondContact O-CB 3.4Å; T133-C137 PolarHBondContact O-N 3.45Å; C137-V139 VanDerWaalsContact C-N 3.3Å; C137-V139 PolarHBondContact O-N 3.36Å; C137-V165 HydrophobicContact CB-CB 4.07Å; C137-V165 HydrophobicContact CB-CG2 3.64Å; C137-V165 PolarHBondContact SG-O 3.08Å; C137-V165 VanDerWaalsContact SG-O 3.35Å; C137-S167 VanDerWaalsContact SG-CA 3.55Å
138	G	98.8	Very high	98.8	Very high	2 Å²	2	8.6 Å²	8.6	2%	0.021	5%	0.045	C	C	.	.	S	Bend	trans	74.5	18.8	177.1	0	0	0	0	0	114.3	T133 A134 N495 P498 H499	T133-G138 PolarHBondContact O-N 3.49Å; A134-G138 VanDerWaalsContact O-CA 3.28Å; A134-G138 WeakPolarHBondContact O-CA 2.97Å; A134-G138 PolarHBondContact O-N 2.89Å; G138-N495 WeakPolarHBondContact CA-O 3.47Å; G138-N495 PolarHBondContact O-ND2 3.07Å; G138-P498 VanDerWaalsContact CA-CG 3.5Å; G138-H499 PolarHBondContact O-NE2 3.13Å
139	V	98.9	Very high	98.8	Very high	54 Å²	54	9.8 Å²	9.8	33%	0.327	5%	0.053	S	C	.	.	S	Bend	trans	-136.6	125.4	179.5	-179.4	0	0	0	0	108.8	T133 A134 C137 V165	T133-V139 CarbonylContact C-O 3.49Å; T133-V139 VanDerWaalsContact C-O 3.24Å; T133-V139 VanDerWaalsContact O-O 3.13Å; A134-V139 WeakPolarHBondContact CA-O 3.4Å; A134-V139 PolarHBondContact N-O 3.42Å; C137-V139 VanDerWaalsContact C-N 3.3Å; C137-V139 PolarHBondContact O-N 3.36Å; V139-V165 HydrophobicContact CB-CG1 4.2Å; V139-V165 HydrophobicContact CB-CG2 4.5Å; V139-V165 HydrophobicContact CG1-CG1 4.29Å; V139-V165 HydrophobicContact CG2-CB 4.44Å; V139-V165 HydrophobicContact CG2-CG1 4.06Å
140	K	98.9	Very high	98.8	Very high	21 Å²	21	11.7 Å²	11.7	9%	0.091	7%	0.07	C	C	.	.			trans	-69.3	139.9	172.9	-76.3	-169.1	159.1	-173.2	0	110.8	K117 Y119 T121 A134 E493 N495	K117-K140 WeakPolarHBondContact O-CE 3.39Å; K117-K140 PolarHBondContact O-NZ 3.22Å; Y119-K140 HydrophobicContact CE2-CD 4.31Å; Y119-K140 WeakPolarHBondContact O-CD 3.17Å; Y119-K140 WeakPolarHBondContact O-CE 3.45Å; Y119-K140 PolarHBondContact O-NZ 2.89Å; T121-K140 HydrophobicContact CG2-CB 3.89Å; A134-K140 HydrophobicContact CB-CG 3.86Å; K140-E493 VanDerWaalsContact CE-OE2 3.3Å; K140-E493 WeakPolarHBondContact CE-OE2 3.34Å; K140-E493 IonicContact NZ-OE2 3.5Å; K140-E493 PolarHBondContact NZ-OE2 3.07Å; K140-N495 HydrophobicContact CG-CB 4.21Å
141	A	98.8	Very high	98.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.096	C	C	.	.			trans	-125.1	178.9	-175.2	0	0	0	0	0	111.9	N120 T121 T133 V148	N120-A141 WeakPolarHBondContact CB-O 3.38Å; T121-A141 PolarHBondContact N-O 3.14Å; T121-A141 PolarHBondContact OG1-O 3.03Å; T133-A141 HydrophobicContact CG2-CB 3.73Å; A141-V148 WeakPolarHBondContact CB-O 3.24Å
142	N	98.9	Very high	98.8	Very high	26 Å²	26	14.9 Å²	14.9	14%	0.139	10%	0.096	C	C	.	.			trans	-80.9	148.3	174.7	-68	-36.3	0	0	0	111.1	T121 N122 G144 T145 A150 A152	T121-N142 PolarHBondContact OG1-N 3.07Å; T121-N142 PolarHBondContact OG1-OD1 3.07Å; N122-N142 VanDerWaalsContact OD1-CA 3.3Å; N122-N142 WeakPolarHBondContact OD1-CA 3.35Å; N142-G144 PolarHBondContact O-N 3.28Å; N142-T145 HydrophobicContact CB-CG2 4.2Å; N142-T145 PolarHBondContact O-N 3.45Å; N142-T145 VanDerWaalsContact O-N 3.17Å; N142-T145 PolarHBondContact O-OG1 2.97Å; N142-A150 PolarHBondContact ND2-O 3.08Å; N142-A152 PolarHBondContact ND2-O 3.25Å
143	E	98.4	Very high	98.7	Very high	72 Å²	72	18 Å²	18	34%	0.336	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	132.9	172.6	-169.8	-136.8	121.4	0	0	111.5	N122 A123 D127 T145 R154	N122-E143 PolarHBondContact OD1-N 3.34Å; A123-E143 HydrophobicContact CB-CB 4.3Å; D127-E143 HydrophobicContact CB-CG 3.73Å; D127-E143 VanDerWaalsContact OD1-CA 3.31Å; D127-E143 WeakPolarHBondContact OD1-CA 3.32Å; E143-T145 VanDerWaalsContact C-N 3.29Å; E143-T145 PolarHBondContact O-N 3.44Å; E143-R154 IonicContact OE1-NH1 2.76Å; E143-R154 PolarHBondContact OE1-NH1 2.86Å
144	G	98.6	Very high	98.7	Very high	0 Å²	0	22 Å²	22	0%	0	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	6.4	178.5	0	0	0	0	0	115.3	D127 N142 D201 R202	D127-G144 PolarHBondContact OD1-N 2.81Å; D127-G144 WeakPolarHBondContact OD2-CA 3.32Å; D127-G144 PolarHBondContact OD2-N 2.88Å; N142-G144 PolarHBondContact O-N 3.28Å; G144-D201 CarbonylContact O-C 3.24Å; G144-D201 WeakPolarHBondContact O-CA 3.16Å; G144-R202 PolarHBondContact O-N 2.97Å
145	T	98.9	Very high	98.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.149	C	C	.	.			trans	-112	135.7	178.7	72	0	0	0	0	111.6	A129 T133 N142 E143 R154	A129-T145 CarbonylContact C-O 3.52Å; A129-T145 WeakPolarHBondContact CB-O 3.28Å; A129-T145 VanDerWaalsContact O-O 3.1Å; T133-T145 PolarHBondContact OG1-O 2.83Å; N142-T145 HydrophobicContact CB-CG2 4.2Å; N142-T145 PolarHBondContact O-N 3.45Å; N142-T145 VanDerWaalsContact O-N 3.17Å; N142-T145 PolarHBondContact O-OG1 2.97Å; E143-T145 VanDerWaalsContact C-N 3.29Å; E143-T145 PolarHBondContact O-N 3.44Å; T145-R154 HydrophobicContact CG2-CB 4.21Å
146	V	98.3	Very high	98.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-116.4	128.5	-177.1	-66.8	0	0	0	0	111.9	A129 V148 A190 A194 H198 C199 R202	A129-V146 HydrophobicContact CB-CG1 3.56Å; V146-V148 PolarHBondContact O-N 3.3Å; V146-A190 HydrophobicContact CG1-CB 4.35Å; V146-A194 HydrophobicContact CB-CB 4.08Å; V146-A194 HydrophobicContact CG1-CB 4.36Å; V146-H198 WeakPolarHBondContact O-CA 3.28Å; V146-C199 HydrophobicContact CG2-CB 3.62Å; V146-C199 PolarHBondContact N-O 3.5Å; V146-C199 PolarHBondContact O-N 3.29Å; V146-R202 HydrophobicContact CG1-CB 4.39Å
147	G	98.7	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	64.5	20.1	174.2	0	0	0	0	0	114.8	T133 V165 H198	T133-G147 PolarHBondContact OG1-N 2.87Å; G147-V165 VanDerWaalsContact C-CG2 3.49Å; G147-V165 WeakPolarHBondContact O-CG2 3.46Å; G147-V165 PolarHBondContact O-N 3.28Å; G147-H198 PolarHBondContact O-ND1 2.88Å
148	V	98.9	Very high	98.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-128.1	152.3	177.7	-67.3	0	0	0	0	111.3	A141 V146 A152 T160 N163 H198	A141-V148 WeakPolarHBondContact CB-O 3.24Å; V146-V148 PolarHBondContact O-N 3.3Å; V148-A152 HydrophobicContact CB-CB 3.87Å; V148-A152 HydrophobicContact CG2-CB 3.72Å; V148-T160 HydrophobicContact CG1-CG2 4.03Å; V148-N163 CarbonylContact C-O 3.58Å; V148-N163 VanDerWaalsContact CA-O 3.3Å; V148-N163 WeakPolarHBondContact CA-O 3.4Å; V148-H198 HydrophobicContact CG1-CB 4.09Å
149	S	98.8	Very high	98.5	Very high	25 Å²	25	36.7 Å²	36.7	18%	0.175	21%	0.211	C	C	.	.			trans	-71.1	164.5	179.2	86.4	0	0	0	0	112.4	A151 A152 N163	S149-A151 PolarHBondContact O-N 2.87Å; S149-A151 PolarHBondContact OG-N 3.45Å; S149-A152 WeakPolarHBondContact O-CB 3.46Å; S149-A152 PolarHBondContact O-N 3.3Å; S149-N163 PolarHBondContact N-O 3.42Å; S149-N163 PolarHBondContact OG-OD1 3.28Å
150	A	98.7	Very high	98.5	Very high	41 Å²	41	34.8 Å²	34.8	34%	0.339	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-6	174.1	0	0	0	0	0	115.8	T121 N142 A152	T121-A150 HydrophobicContact CG2-CB 3.78Å; T121-A150 WeakPolarHBondContact OG1-CB 3.4Å; N142-A150 PolarHBondContact ND2-O 3.08Å; A150-A152 VanDerWaalsContact C-N 3.35Å
151	A	98.8	Very high	98.4	Very high	67 Å²	67	42.4 Å²	42.4	55%	0.554	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-7.8	171	0	0	0	0	0	113.2	S149 N163	S149-A151 PolarHBondContact O-N 2.87Å; S149-A151 PolarHBondContact OG-N 3.45Å; A151-N163 WeakPolarHBondContact CB-OD1 3.31Å; A151-N163 PolarHBondContact O-ND2 3.14Å
152	A	98.6	Very high	98.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	27%	0.266	C	S	.	.	S	Bend	trans	-85.7	142.1	169	0	0	0	0	0	110.8	N142 V148 S149 A150 N163 V200	N142-A152 PolarHBondContact ND2-O 3.25Å; V148-A152 HydrophobicContact CB-CB 3.87Å; V148-A152 HydrophobicContact CG2-CB 3.72Å; S149-A152 WeakPolarHBondContact O-CB 3.46Å; S149-A152 PolarHBondContact O-N 3.3Å; A150-A152 VanDerWaalsContact C-N 3.35Å; A152-N163 HydrophobicContact CB-CB 4.04Å; A152-V200 HydrophobicContact CB-CG1 4.03Å
153	V	98.3	Very high	98.4	Very high	64 Å²	64	46.1 Å²	46.1	39%	0.388	27%	0.268	S	S	.	.			trans	-109.7	131.8	-174.2	-177.5	0	0	0	0	109.7	S155 Q156 T159	V153-S155 PolarHBondContact O-N 2.79Å; V153-Q156 HydrophobicContact CB-CB 4.16Å; V153-Q156 HydrophobicContact CB-CG 4.22Å; V153-Q156 HydrophobicContact CG1-CB 4.47Å; V153-Q156 HydrophobicContact CG1-CG 3.98Å; V153-Q156 PolarHBondContact O-N 3.44Å; V153-T159 HydrophobicContact CB-CG2 4.18Å; V153-T159 HydrophobicContact CG2-CG2 4.18Å; V153-T159 PolarHBondContact N-OG1 2.8Å; V153-T159 PolarHBondContact O-OG1 3.18Å
154	R	98.3	Very high	98.4	Very high	86 Å²	86	46.7 Å²	46.7	33%	0.325	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	135.4	-174.4	-168	179.4	177.5	166.5	-0.8	111.6	E143 T145 Q156 V200 D201 D203	E143-R154 IonicContact OE1-NH1 2.76Å; E143-R154 PolarHBondContact OE1-NH1 2.86Å; T145-R154 HydrophobicContact CG2-CB 4.21Å; R154-Q156 PolarHBondContact O-N 2.99Å; R154-V200 CarbonylContact C-O 3.56Å; R154-V200 VanDerWaalsContact CA-O 3.23Å; R154-V200 WeakPolarHBondContact CA-O 3.18Å; R154-V200 WeakPolarHBondContact CG-O 3.43Å; R154-D201 IonicContact NE-OD1 3.48Å; R154-D203 IonicContact NH2-OD2 2.71Å; R154-D203 PolarHBondContact NH2-OD2 2.9Å
155	S	98.1	Very high	98.4	Very high	57 Å²	57	47.8 Å²	47.8	40%	0.399	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	-4.9	-176.5	-41.8	0	0	0	0	116.5	V153 C157 V200 D201 W204	V153-S155 PolarHBondContact O-N 2.79Å; S155-C157 PolarHBondContact O-N 3.32Å; S155-V200 PolarHBondContact N-O 2.86Å; S155-D201 WeakPolarHBondContact CB-OD2 3.3Å; S155-D201 PolarHBondContact OG-OD2 3.38Å; S155-W204 WeakPolarHBondContact O-CH2 3.22Å; S155-W204 WeakPolarHBondContact O-CZ2 3.44Å
156	Q	98.1	Very high	98.3	Very high	101 Å²	101	51 Å²	51	47%	0.472	30%	0.297	S	S	.	.			trans	-90.9	87.3	-179	-62.3	-169.9	14.8	0	0	111.6	V153 R154 N158 T159	V153-Q156 HydrophobicContact CB-CB 4.16Å; V153-Q156 HydrophobicContact CB-CG 4.22Å; V153-Q156 HydrophobicContact CG1-CB 4.47Å; V153-Q156 HydrophobicContact CG1-CG 3.98Å; V153-Q156 PolarHBondContact O-N 3.44Å; R154-Q156 PolarHBondContact O-N 2.99Å; Q156-N158 VanDerWaalsContact C-N 3.25Å; Q156-N158 PolarHBondContact O-N 3.07Å; Q156-N158 VanDerWaalsContact O-N 3.09Å; Q156-N158 PolarHBondContact O-OD1 2.98Å; Q156-T159 HydrophobicContact CB-CG2 3.96Å; Q156-T159 WeakPolarHBondContact O-CB 3.27Å; Q156-T159 PolarHBondContact O-N 3.06Å; Q156-T159 PolarHBondContact O-OG1 2.83Å
157	C	98	Very high	98.4	Very high	12 Å²	12	51.2 Å²	51.2	8%	0.081	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-49.6	-40.3	-172.6	172	0	0	0	0	114.6	S155 T159 T160 W204 A214 S217 C219	S155-C157 PolarHBondContact O-N 3.32Å; C157-T159 PolarHBondContact O-N 3.36Å; C157-T159 VanDerWaalsContact O-N 3.15Å; C157-T160 WeakPolarHBondContact O-CB 3.04Å; C157-T160 PolarHBondContact O-N 2.71Å; C157-T160 PolarHBondContact O-OG1 3.14Å; C157-W204 HydrophobicContact CB-CH2 4.09Å; C157-W204 HydrophobicContact CB-CZ3 4.32Å; C157-A214 HydrophobicContact CB-CB 3.8Å; C157-S217 WeakPolarHBondContact SG-CB 3.45Å; C157-C219 WeakPolarHBondContact CA-SG 3.23Å; C157-C219 HydrophobicContact CB-CB 4.05Å; C157-C219 WeakPolarHBondContact CB-SG 3.15Å; C157-C219 WeakPolarHBondContact SG-CB 3.14Å; C157-C219 PolarHBondContact SG-N 2.97Å; C157-C219 CovalentContact SG-SG 2.03Å; C157-C219 PolarHBondContact SG-SG 3Å
158	N	97.2	Very high	98.4	Very high	118 Å²	118	51.3 Å²	51.3	63%	0.631	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-60.6	-21.3	179.1	60.6	-12.2	0	0	0	113.9	Q156	Q156-N158 VanDerWaalsContact C-N 3.25Å; Q156-N158 PolarHBondContact O-N 3.07Å; Q156-N158 VanDerWaalsContact O-N 3.09Å; Q156-N158 PolarHBondContact O-OD1 2.98Å
159	T	98.4	Very high	98.4	Very high	27 Å²	27	51.3 Å²	51.3	17%	0.166	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-85.6	-4.7	176.8	71.7	0	0	0	0	114.3	V153 Q156 C157 N163	V153-T159 HydrophobicContact CB-CG2 4.18Å; V153-T159 HydrophobicContact CG2-CG2 4.18Å; V153-T159 PolarHBondContact N-OG1 2.8Å; V153-T159 PolarHBondContact O-OG1 3.18Å; Q156-T159 HydrophobicContact CB-CG2 3.96Å; Q156-T159 WeakPolarHBondContact O-CB 3.27Å; Q156-T159 PolarHBondContact O-N 3.06Å; Q156-T159 PolarHBondContact O-OG1 2.83Å; C157-T159 PolarHBondContact O-N 3.36Å; C157-T159 VanDerWaalsContact O-N 3.15Å; T159-N163 PolarHBondContact O-ND2 2.95Å
160	T	98.3	Very high	98.4	Very high	13 Å²	13	53 Å²	53	8%	0.08	30%	0.303	C	S	.	.	S	Bend	trans	-65.2	-43.1	178	-43.9	0	0	0	0	111.8	V148 C157 N163 V200	V148-T160 HydrophobicContact CG1-CG2 4.03Å; C157-T160 WeakPolarHBondContact O-CB 3.04Å; C157-T160 PolarHBondContact O-N 2.71Å; C157-T160 PolarHBondContact O-OG1 3.14Å; T160-N163 PolarHBondContact O-N 3.34Å; T160-V200 WeakPolarHBondContact OG1-CG1 3.46Å
161	K	97.9	Very high	98.3	Very high	182 Å²	182	52.1 Å²	52.1	79%	0.791	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	125.4	-165.9	-175.7	-175.6	176.5	-175.6	0	112.4	N163	K161-N163 VanDerWaalsContact C-N 3.31Å
162	G	98.2	Very high	98.3	Very high	68 Å²	68	49 Å²	49	70%	0.701	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.3	-4.6	-173.6	0	0	0	0	0	113.4	E164	G162-E164 WeakPolarHBondContact CA-OE2 3.37Å; G162-E164 PolarHBondContact N-OE2 2.97Å
163	N	98.8	Very high	98.3	Very high	36 Å²	36	51.2 Å²	51.2	19%	0.193	28%	0.275	C	S	.	.			trans	-110.5	-0.1	179	-74.1	-38.2	0	0	0	112.9	V148 S149 A151 A152 T159 T160 K161 V165	V148-N163 CarbonylContact C-O 3.58Å; V148-N163 VanDerWaalsContact CA-O 3.3Å; V148-N163 WeakPolarHBondContact CA-O 3.4Å; S149-N163 PolarHBondContact N-O 3.42Å; S149-N163 PolarHBondContact OG-OD1 3.28Å; A151-N163 WeakPolarHBondContact CB-OD1 3.31Å; A151-N163 PolarHBondContact O-ND2 3.14Å; A152-N163 HydrophobicContact CB-CB 4.04Å; T159-N163 PolarHBondContact O-ND2 2.95Å; T160-N163 PolarHBondContact O-N 3.34Å; K161-N163 VanDerWaalsContact C-N 3.31Å; N163-V165 PolarHBondContact O-N 2.99Å
164	E	98.8	Very high	98.3	Very high	84 Å²	84	51.8 Å²	51.8	39%	0.393	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-62.4	125.7	179.4	-55.9	94.5	149.1	0	0	112	G162 H198	G162-E164 WeakPolarHBondContact CA-OE2 3.37Å; G162-E164 PolarHBondContact N-OE2 2.97Å; E164-H198 HydrophobicContact CB-CB 4.15Å; E164-H198 HydrophobicContact CG-CB 3.68Å
165	V	98.7	Very high	98.2	Very high	22 Å²	22	49.3 Å²	49.3	13%	0.133	27%	0.273	C	S	.	.			trans	-111.1	128.8	175.8	-66.8	0	0	0	0	110.8	T133 C137 V139 G147 N163 H198	T133-V165 HydrophobicContact CG2-CG2 3.49Å; T133-V165 VanDerWaalsContact CG2-CG2 3.49Å; C137-V165 HydrophobicContact CB-CB 4.07Å; C137-V165 HydrophobicContact CB-CG2 3.64Å; C137-V165 PolarHBondContact SG-O 3.08Å; C137-V165 VanDerWaalsContact SG-O 3.35Å; V139-V165 HydrophobicContact CB-CG1 4.2Å; V139-V165 HydrophobicContact CB-CG2 4.5Å; V139-V165 HydrophobicContact CG1-CG1 4.29Å; V139-V165 HydrophobicContact CG2-CB 4.44Å; V139-V165 HydrophobicContact CG2-CG1 4.06Å; G147-V165 VanDerWaalsContact C-CG2 3.49Å; G147-V165 WeakPolarHBondContact O-CG2 3.46Å; G147-V165 PolarHBondContact O-N 3.28Å; N163-V165 PolarHBondContact O-N 2.99Å; V165-H198 PolarHBondContact O-CE1 3.07Å; V165-H198 VanDerWaalsContact O-CE1 3.26Å
166	T	97.4	Very high	98.2	Very high	69 Å²	69	53.7 Å²	53.7	42%	0.423	29%	0.285	S	S	.	.			trans	-83	139.3	-173	54	0	0	0	0	112.4	W171	T166-W171 WeakPolarHBondContact O-CZ2 3.4Å; T166-W171 PolarHBondContact O-NE1 3.25Å; T166-W171 PolarHBondContact OG1-NE1 2.92Å
167	S	98.8	Very high	98.2	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.028	27%	0.265	C	S	.	.			trans	-82.4	159.3	-176.8	69.7	0	0	0	0	113.8	L136 C137 L169 K170 W171 A195	L136-S167 CarbonylContact O-C 3.54Å; L136-S167 WeakPolarHBondContact O-CA 3.14Å; C137-S167 VanDerWaalsContact SG-CA 3.55Å; S167-L169 PolarHBondContact O-N 2.63Å; S167-L169 PolarHBondContact OG-N 3.3Å; S167-K170 WeakPolarHBondContact O-CA 3.17Å; S167-K170 WeakPolarHBondContact O-CB 3.27Å; S167-K170 PolarHBondContact O-N 3.35Å; S167-K170 PolarHBondContact OG-N 3Å; S167-W171 VanDerWaalsContact O-CG 3.23Å; S167-W171 PolarHBondContact O-N 2.83Å; S167-W171 PolarHBondContact O-NE1 2.94Å; S167-A195 WeakPolarHBondContact CB-O 3.34Å; S167-A195 PolarHBondContact OG-O 3.33Å
168	I	98.8	Very high	98.3	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-29.8	168.1	-170.5	167.5	0	0	0	112.7	L72 L136 W171 A172 Y345 P498 M501 A502 I507	L72-I168 HydrophobicContact CD1-CD1 3.94Å; L72-I168 HydrophobicContact CD1-CG1 4.4Å; L136-I168 WeakPolarHBondContact O-CG2 3.45Å; L136-I168 PolarHBondContact O-N 3.04Å; I168-W171 HydrophobicContact CB-CE3 3.87Å; I168-W171 HydrophobicContact CB-CZ3 4.13Å; I168-W171 HydrophobicContact CG1-CE3 4.01Å; I168-W171 HydrophobicContact CG1-CZ3 4.48Å; I168-W171 PolarHBondContact O-N 2.72Å; I168-A172 WeakPolarHBondContact O-CB 3.41Å; I168-A172 PolarHBondContact O-N 2.96Å; I168-Y345 HydrophobicContact CB-CE2 4.44Å; I168-Y345 HydrophobicContact CD1-CD2 4.33Å; I168-Y345 HydrophobicContact CD1-CE2 4.09Å; I168-Y345 HydrophobicContact CG1-CD2 4.15Å; I168-Y345 HydrophobicContact CG1-CE2 4.11Å; I168-Y345 HydrophobicContact CG2-CD2 4.26Å; I168-Y345 HydrophobicContact CG2-CE1 4.33Å; I168-Y345 HydrophobicContact CG2-CE2 3.53Å; I168-P498 HydrophobicContact CB-CB 4.23Å; I168-P498 HydrophobicContact CD1-CB 4.28Å; I168-P498 HydrophobicContact CG2-CB 4.38Å; I168-M501 HydrophobicContact CD1-CB 3.4Å; I168-A502 HydrophobicContact CD1-CB 4.35Å; I168-I507 HydrophobicContact CD1-CD1 4.49Å; I168-I507 HydrophobicContact CG1-CD1 3.9Å
169	L	98.8	Very high	98.4	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-64.1	-45.2	172.7	-169.4	151.5	0	0	0	110.7	S167 A172 K173 V179 I181 A195 I230 I233 Y345	S167-L169 PolarHBondContact O-N 2.63Å; S167-L169 PolarHBondContact OG-N 3.3Å; L169-A172 PolarHBondContact O-N 3.35Å; L169-K173 PolarHBondContact O-N 2.86Å; L169-V179 HydrophobicContact CD1-CB 4.47Å; L169-V179 HydrophobicContact CD2-CB 4.01Å; L169-V179 HydrophobicContact CD2-CG1 4.48Å; L169-V179 HydrophobicContact CD2-CG2 3.73Å; L169-V179 HydrophobicContact CG-CB 3.91Å; L169-V179 HydrophobicContact CG-CG1 4.34Å; L169-V179 HydrophobicContact CG-CG2 4.2Å; L169-I181 HydrophobicContact CD1-CD1 3.89Å; L169-I181 HydrophobicContact CD1-CG1 3.54Å; L169-A195 HydrophobicContact CB-CB 4.35Å; L169-A195 HydrophobicContact CD1-CB 4Å; L169-I230 HydrophobicContact CD2-CD1 3.66Å; L169-I230 HydrophobicContact CD2-CG2 4.13Å; L169-I233 HydrophobicContact CD2-CD1 4.46Å; L169-I233 HydrophobicContact CD2-CG1 4.22Å; L169-Y345 HydrophobicContact CB-CD1 4Å; L169-Y345 HydrophobicContact CB-CE1 4.03Å; L169-Y345 HydrophobicContact CD1-CD1 4.19Å; L169-Y345 HydrophobicContact CD1-CE1 4.21Å; L169-Y345 HydrophobicContact CG-CD1 4.07Å; L169-Y345 HydrophobicContact CG-CE1 4.37Å
170	K	98.6	Very high	98.4	Very high	61 Å²	61	42.5 Å²	42.5	27%	0.265	23%	0.227	S	C	.	.	H	α-helix	trans	-61.9	-45.1	172.1	-176.8	58.9	166.7	71.8	0	111.5	S167 A172 K173 D174 I230	S167-K170 WeakPolarHBondContact O-CA 3.17Å; S167-K170 WeakPolarHBondContact O-CB 3.27Å; S167-K170 PolarHBondContact O-N 3.35Å; S167-K170 PolarHBondContact OG-N 3Å; K170-A172 VanDerWaalsContact C-N 3.29Å; K170-A172 PolarHBondContact O-N 2.68Å; K170-K173 PolarHBondContact O-N 2.93Å; K170-D174 IonicContact NZ-OD1 2.7Å; K170-D174 PolarHBondContact NZ-OD1 2.71Å; K170-D174 IonicContact NZ-OD2 2.61Å; K170-D174 PolarHBondContact NZ-OD2 3.42Å; K170-D174 WeakPolarHBondContact O-CB 3.47Å; K170-D174 VanDerWaalsContact O-CG 3.3Å; K170-D174 PolarHBondContact O-N 3.48Å; K170-I230 HydrophobicContact CB-CD1 3.91Å; K170-I230 HydrophobicContact CD-CD1 4.16Å; K170-I230 HydrophobicContact CD-CG1 4.18Å
171	W	98.6	Very high	98.4	Very high	22 Å²	22	41.9 Å²	41.9	8%	0.083	22%	0.224	C	C	.	.	H	α-helix	trans	-60.2	-37	178.3	-57.2	-14.7	0	0	0	112.7	T166 S167 I168 A175 P498 A502 I507	T166-W171 WeakPolarHBondContact O-CZ2 3.4Å; T166-W171 PolarHBondContact O-NE1 3.25Å; T166-W171 PolarHBondContact OG1-NE1 2.92Å; S167-W171 VanDerWaalsContact O-CG 3.23Å; S167-W171 PolarHBondContact O-N 2.83Å; S167-W171 PolarHBondContact O-NE1 2.94Å; I168-W171 HydrophobicContact CB-CE3 3.87Å; I168-W171 HydrophobicContact CB-CZ3 4.13Å; I168-W171 HydrophobicContact CG1-CE3 4.01Å; I168-W171 HydrophobicContact CG1-CZ3 4.48Å; I168-W171 PolarHBondContact O-N 2.72Å; W171-A175 WeakPolarHBondContact O-CB 3.38Å; W171-A175 PolarHBondContact O-N 2.91Å; W171-A175 VanDerWaalsContact O-N 3.12Å; W171-P498 HydrophobicContact CZ3-CB 4.41Å; W171-A502 HydrophobicContact CE3-CB 3.61Å; W171-A502 HydrophobicContact CZ3-CB 3.69Å; W171-I507 HydrophobicContact CB-CB 4.41Å; W171-I507 HydrophobicContact CB-CD1 4.19Å; W171-I507 HydrophobicContact CB-CG1 4.29Å
172	A	98.6	Very high	98.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-69.9	-45.6	176.8	0	0	0	0	0	111.6	I168 L169 K170 D174 A175 K176 K177 V179 Y345 I507	I168-A172 WeakPolarHBondContact O-CB 3.41Å; I168-A172 PolarHBondContact O-N 2.96Å; L169-A172 PolarHBondContact O-N 3.35Å; K170-A172 VanDerWaalsContact C-N 3.29Å; K170-A172 PolarHBondContact O-N 2.68Å; A172-D174 VanDerWaalsContact C-N 3.34Å; A172-D174 PolarHBondContact O-N 3.42Å; A172-A175 CarbonylContact O-C 3.21Å; A172-A175 WeakPolarHBondContact O-CA 3.49Å; A172-A175 PolarHBondContact O-N 3.42Å; A172-A175 VanDerWaalsContact O-N 3.12Å; A172-K176 PolarHBondContact O-N 2.96Å; A172-K177 HydrophobicContact CB-CB 4.23Å; A172-K177 HydrophobicContact CB-CD 4.19Å; A172-K177 WeakPolarHBondContact O-CB 3.35Å; A172-K177 PolarHBondContact O-N 2.67Å; A172-V179 HydrophobicContact CB-CG1 3.88Å; A172-Y345 HydrophobicContact CB-CG 4.39Å; A172-I507 HydrophobicContact CB-CD1 3.98Å
173	K	98.3	Very high	98.5	Very high	47 Å²	47	30 Å²	30	20%	0.204	15%	0.153	C	C	.	.	H	α-helix	trans	-63.3	-39.2	176.5	-167.1	75.5	-166.6	-169.7	0	111.9	L169 K170 A175 K176 V179 Y232 N234	L169-K173 PolarHBondContact O-N 2.86Å; K170-K173 PolarHBondContact O-N 2.93Å; K173-A175 VanDerWaalsContact C-N 3.27Å; K173-A175 PolarHBondContact O-N 2.98Å; K173-K176 WeakPolarHBondContact O-CA 3.41Å; K173-K176 PolarHBondContact O-N 3.46Å; K173-V179 HydrophobicContact CB-CG1 3.96Å; K173-V179 HydrophobicContact CB-CG2 4.33Å; K173-V179 HydrophobicContact CD-CG1 4.33Å; K173-V179 HydrophobicContact CD-CG2 3.85Å; K173-Y232 WeakPolarHBondContact CE-O 3.32Å; K173-Y232 PolarHBondContact NZ-O 2.81Å; K173-N234 PolarHBondContact NZ-OD1 2.58Å
174	D	97.6	Very high	98.5	Very high	77 Å²	77	28.7 Å²	28.7	41%	0.412	15%	0.146	S	C	.	.	H	α-helix	trans	-64	-33.5	174.3	-71.3	-19.4	0	0	0	112	K170 A172 K176	K170-D174 IonicContact NZ-OD1 2.7Å; K170-D174 PolarHBondContact NZ-OD1 2.71Å; K170-D174 IonicContact NZ-OD2 2.61Å; K170-D174 PolarHBondContact NZ-OD2 3.42Å; K170-D174 WeakPolarHBondContact O-CB 3.47Å; K170-D174 VanDerWaalsContact O-CG 3.3Å; K170-D174 PolarHBondContact O-N 3.48Å; A172-D174 VanDerWaalsContact C-N 3.34Å; A172-D174 PolarHBondContact O-N 3.42Å; D174-K176 PolarHBondContact O-N 2.89Å
175	A	97.1	Very high	98.5	Very high	33 Å²	33	24.7 Å²	24.7	27%	0.273	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	17.7	170.6	0	0	0	0	0	114.1	W171 A172 K173 K177 I507	W171-A175 WeakPolarHBondContact O-CB 3.38Å; W171-A175 PolarHBondContact O-N 2.91Å; W171-A175 VanDerWaalsContact O-N 3.12Å; A172-A175 CarbonylContact O-C 3.21Å; A172-A175 WeakPolarHBondContact O-CA 3.49Å; A172-A175 PolarHBondContact O-N 3.42Å; A172-A175 VanDerWaalsContact O-N 3.12Å; K173-A175 VanDerWaalsContact C-N 3.27Å; K173-A175 PolarHBondContact O-N 2.98Å; A175-K177 PolarHBondContact O-N 3.03Å; A175-K177 VanDerWaalsContact O-N 3.14Å; A175-I507 HydrophobicContact CB-CB 4.15Å; A175-I507 HydrophobicContact CB-CG2 3.39Å
176	K	97.8	Very high	98.5	Very high	149 Å²	149	25.4 Å²	25.4	65%	0.648	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.7	18.3	176.1	-50.1	-57.6	-178.2	179	0	115.5	A172 K173 D174 N340 N342	A172-K176 PolarHBondContact O-N 2.96Å; K173-K176 WeakPolarHBondContact O-CA 3.41Å; K173-K176 PolarHBondContact O-N 3.46Å; D174-K176 PolarHBondContact O-N 2.89Å; K176-N340 PolarHBondContact O-ND2 3.4Å; K176-N342 PolarHBondContact O-ND2 3.08Å
177	K	98.6	Very high	98.6	Very high	10 Å²	10	22.1 Å²	22.1	4%	0.043	11%	0.108	C	C	.	.			trans	-74.7	154.3	167.5	-61.5	-175.7	178.8	-70.1	0	110.4	K70 A172 A175 N342 G343	K70-K177 PolarHBondContact O-NZ 2.92Å; A172-K177 HydrophobicContact CB-CB 4.23Å; A172-K177 HydrophobicContact CB-CD 4.19Å; A172-K177 WeakPolarHBondContact O-CB 3.35Å; A172-K177 PolarHBondContact O-N 2.67Å; A175-K177 PolarHBondContact O-N 3.03Å; A175-K177 VanDerWaalsContact O-N 3.14Å; K177-N342 PolarHBondContact NZ-O 3.24Å; K177-G343 VanDerWaalsContact CA-O 3.24Å; K177-G343 WeakPolarHBondContact CA-O 3.33Å; K177-G343 VanDerWaalsContact CB-O 3.28Å; K177-G343 WeakPolarHBondContact CB-O 3.27Å
178	S	98.9	Very high	98.6	Very high	13 Å²	13	22 Å²	22	9%	0.091	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	152.2	165.4	-69.7	0	0	0	0	109.4	N234 N340 G343 F344 Y345	S178-N234 WeakPolarHBondContact CA-OD1 3.48Å; S178-N340 PolarHBondContact N-ND2 2.91Å; S178-N340 WeakPolarHBondContact OG-CB 3.17Å; S178-N340 PolarHBondContact OG-ND2 2.75Å; S178-G343 PolarHBondContact N-O 3.04Å; S178-F344 CarbonylContact O-C 3.53Å; S178-F344 WeakPolarHBondContact O-CA 3.39Å; S178-F344 VanDerWaalsContact O-CB 3.31Å; S178-F344 WeakPolarHBondContact O-CB 3.42Å; S178-Y345 PolarHBondContact O-N 2.78Å
179	V	98.9	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	139.1	-175.2	-58.5	0	0	0	0	112.2	L169 A172 K173 I233 N234 V235 Y345	L169-V179 HydrophobicContact CD1-CB 4.47Å; L169-V179 HydrophobicContact CD2-CB 4.01Å; L169-V179 HydrophobicContact CD2-CG1 4.48Å; L169-V179 HydrophobicContact CD2-CG2 3.73Å; L169-V179 HydrophobicContact CG-CB 3.91Å; L169-V179 HydrophobicContact CG-CG1 4.34Å; L169-V179 HydrophobicContact CG-CG2 4.2Å; A172-V179 HydrophobicContact CB-CG1 3.88Å; K173-V179 HydrophobicContact CB-CG1 3.96Å; K173-V179 HydrophobicContact CB-CG2 4.33Å; K173-V179 HydrophobicContact CD-CG1 4.33Å; K173-V179 HydrophobicContact CD-CG2 3.85Å; V179-I233 HydrophobicContact CG2-CB 4.33Å; V179-I233 HydrophobicContact CG2-CG1 4.27Å; V179-I233 HydrophobicContact CG2-CG2 4.23Å; V179-N234 PolarHBondContact N-OD1 3.04Å; V179-N234 WeakPolarHBondContact O-CA 3.31Å; V179-N234 WeakPolarHBondContact O-CB 3.35Å; V179-N234 PolarHBondContact O-N 3.2Å; V179-V235 PolarHBondContact O-N 3.37Å; V179-Y345 CarbonylContact C-O 3.56Å; V179-Y345 VanDerWaalsContact CA-O 3.3Å; V179-Y345 WeakPolarHBondContact CA-O 3.41Å
180	G	98.9	Very high	98.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	155.2	179.8	0	0	0	0	0	114.9	V235 Y345 L347	G180-V235 CarbonylContact C-O 3.59Å; G180-V235 WeakPolarHBondContact CA-O 3.4Å; G180-Y345 PolarHBondContact N-O 3.37Å; G180-L347 PolarHBondContact O-N 3.1Å
181	I	98.9	Very high	98.5	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.8	173.3	-55.9	174.9	0	0	0	107.1	L169 P192 A195 Y196 I233 V235 I236 M237 L347	L169-I181 HydrophobicContact CD1-CD1 3.89Å; L169-I181 HydrophobicContact CD1-CG1 3.54Å; I181-P192 HydrophobicContact CG2-CB 3.77Å; I181-A195 HydrophobicContact CD1-CB 4.07Å; I181-Y196 HydrophobicContact CD1-CD1 3.62Å; I181-Y196 HydrophobicContact CD1-CE1 3.97Å; I181-I233 HydrophobicContact CD1-CD1 4.17Å; I181-V235 PolarHBondContact N-O 3.47Å; I181-I236 CarbonylContact O-C 3.5Å; I181-I236 WeakPolarHBondContact O-CA 3.5Å; I181-M237 PolarHBondContact O-N 2.83Å; I181-L347 HydrophobicContact CG2-CD2 4.49Å
182	V	99	Very high	98.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130.3	175.3	179	0	0	0	0	108.6	M237 L326 M329 V330 A333 L346 L347 V348 E349	V182-M237 CarbonylContact C-O 3.56Å; V182-M237 WeakPolarHBondContact CA-O 3.15Å; V182-M237 HydrophobicContact CG2-CB 4.33Å; V182-M237 HydrophobicContact CG2-CE 4.22Å; V182-L326 HydrophobicContact CG1-CD1 3.74Å; V182-M329 HydrophobicContact CG1-CB 3.53Å; V182-M329 HydrophobicContact CG1-CE 4.24Å; V182-M329 HydrophobicContact CG1-SD 4.36Å; V182-V330 HydrophobicContact CG1-CG2 4.14Å; V182-A333 HydrophobicContact CG2-CB 3.57Å; V182-L346 HydrophobicContact CG2-CD1 3.88Å; V182-L347 PolarHBondContact N-O 3.1Å; V182-V348 CarbonylContact O-C 3.52Å; V182-V348 VanDerWaalsContact O-CA 3.3Å; V182-V348 WeakPolarHBondContact O-CA 3.33Å; V182-E349 PolarHBondContact O-N 3.22Å
183	T	98.9	Very high	98.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	154.5	-177.2	179.4	0	0	0	0	113	T185 V187 P192 M237 G238 M329 E349	T183-T185 WeakPolarHBondContact CG2-O 3.46Å; T183-T185 PolarHBondContact OG1-N 3.04Å; T183-T185 PolarHBondContact OG1-OG1 3.06Å; T183-V187 HydrophobicContact CG2-CG1 4.1Å; T183-P192 HydrophobicContact CG2-CB 4.47Å; T183-P192 HydrophobicContact CG2-CG 4.43Å; T183-M237 PolarHBondContact N-O 3.38Å; T183-G238 WeakPolarHBondContact O-CA 3.34Å; T183-M329 WeakPolarHBondContact O-CE 3.21Å; T183-E349 WeakPolarHBondContact CA-O 3.21Å; T183-E349 WeakPolarHBondContact CB-OE2 3.46Å; T183-E349 PolarHBondContact OG1-OE1 3.02Å; T183-E349 PolarHBondContact OG1-OE2 3.34Å
184	T	98.9	Very high	98.5	Very high	8 Å²	8	16 Å²	16	5%	0.049	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	-5.9	165.1	57.9	0	0	0	0	113.6	M312 L326 M329 E349 G351 R352 E368	T184-M312 WeakPolarHBondContact O-CB 3.5Å; T184-M312 PolarHBondContact O-N 3.3Å; T184-L326 HydrophobicContact CG2-CB 4.01Å; T184-L326 HydrophobicContact CG2-CD1 4.3Å; T184-L326 HydrophobicContact CG2-CD2 4.38Å; T184-L326 HydrophobicContact CG2-CG 4.46Å; T184-M329 HydrophobicContact CG2-CE 4.35Å; T184-E349 PolarHBondContact N-O 3.07Å; T184-G351 PolarHBondContact OG1-N 3.11Å; T184-R352 PolarHBondContact OG1-N 2.98Å; T184-E368 PolarHBondContact OG1-OE2 3.2Å
185	T	98.9	Very high	98.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	179.3	170.5	63.9	0	0	0	0	111.5	T183 H189 G239 E349 G351 R352	T183-T185 WeakPolarHBondContact CG2-O 3.46Å; T183-T185 PolarHBondContact OG1-N 3.04Å; T183-T185 PolarHBondContact OG1-OG1 3.06Å; T185-H189 WeakPolarHBondContact OG1-CB 3.31Å; T185-G239 PolarHBondContact O-N 2.84Å; T185-E349 VanDerWaalsContact CG2-OE1 3.28Å; T185-E349 WeakPolarHBondContact CG2-OE1 3.19Å; T185-E349 PolarHBondContact OG1-OE1 2.99Å; T185-E349 PolarHBondContact OG1-OE2 3.38Å; T185-G351 WeakPolarHBondContact CG2-O 3.32Å; T185-R352 HydrophobicContact CG2-CG 4.41Å
186	R	98.7	Very high	98.7	Very high	37 Å²	37	10.9 Å²	10.9	14%	0.14	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	138	164.6	70.2	-164.7	77.2	154.1	6.9	109.1	N188 H189 Y205 G239 F243 D311	R186-N188 PolarHBondContact O-N 3.33Å; R186-H189 HydrophobicContact CG-CB 3.92Å; R186-H189 WeakPolarHBondContact O-CB 3.42Å; R186-H189 PolarHBondContact O-N 3.4Å; R186-Y205 VanDerWaalsContact NH1-CE2 3.32Å; R186-G239 WeakPolarHBondContact CA-O 3.43Å; R186-F243 HydrophobicContact CB-CE2 4.43Å; R186-D311 WeakPolarHBondContact CB-OD1 3.46Å; R186-D311 WeakPolarHBondContact CG-OD1 3.33Å; R186-D311 IonicContact CZ-OD1 3.41Å; R186-D311 IonicContact CZ-OD2 3.81Å; R186-D311 PolarHBondContact N-OD1 3.26Å; R186-D311 IonicContact NE-OD1 3.71Å; R186-D311 PolarHBondContact NE-OD1 2.93Å; R186-D311 IonicContact NE-OD2 3.35Å; R186-D311 PolarHBondContact NE-OD2 2.96Å; R186-D311 IonicContact NH2-OD1 3.79Å; R186-D311 IonicContact NH2-OD2 2.76Å; R186-D311 PolarHBondContact NH2-OD2 2.81Å
187	V	98.8	Very high	98.7	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.006	2%	0.018	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-3.3	179.8	-59	0	0	0	0	114.4	T183 Y196 L226 I236 G239 M244 L306	T183-V187 HydrophobicContact CG2-CG1 4.1Å; V187-Y196 PolarHBondContact O-OH 2.9Å; V187-L226 HydrophobicContact CG2-CD2 3.96Å; V187-I236 HydrophobicContact CB-CG2 4.04Å; V187-I236 HydrophobicContact CG1-CG2 3.85Å; V187-I236 HydrophobicContact CG2-CG2 4.15Å; V187-G239 PolarHBondContact N-O 3.17Å; V187-M244 HydrophobicContact CG2-CE 3.87Å; V187-L306 HydrophobicContact CB-CD2 4.49Å; V187-L306 HydrophobicContact CG1-CD2 4Å; V187-L306 HydrophobicContact CG2-CD2 3.65Å
188	N	98	Very high	98.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	9.7	175.2	-49.3	120.2	0	0	0	113.6	R186 Y196 Y205 I222 A223 M244	R186-N188 PolarHBondContact O-N 3.33Å; N188-Y196 WeakPolarHBondContact CA-OH 3.36Å; N188-Y196 PolarHBondContact ND2-OH 3.29Å; N188-Y205 HydrophobicContact CB-CD1 4.38Å; N188-Y205 WeakPolarHBondContact O-CD1 3.36Å; N188-I222 HydrophobicContact CB-CB 4.32Å; N188-I222 HydrophobicContact CB-CG2 3.71Å; N188-A223 WeakPolarHBondContact ND2-CA 3.27Å; N188-M244 VanDerWaalsContact OD1-CE 3.23Å; N188-M244 WeakPolarHBondContact OD1-CE 3.47Å
189	H	98.6	Very high	98.7	Very high	7 Å²	7	5 Å²	5	3%	0.032	2%	0.022	C	C	.	.	S	Bend	trans	-65.9	172.5	173.9	-162.9	-134.2	0	0	0	111.5	T185 R186 P192 S193 R202 E349	T185-H189 WeakPolarHBondContact OG1-CB 3.31Å; R186-H189 HydrophobicContact CG-CB 3.92Å; R186-H189 WeakPolarHBondContact O-CB 3.42Å; R186-H189 PolarHBondContact O-N 3.4Å; H189-P192 HydrophobicContact CB-CG 3.87Å; H189-P192 VanDerWaalsContact O-CD 3.22Å; H189-P192 WeakPolarHBondContact O-CD 3.23Å; H189-P192 WeakPolarHBondContact O-CG 3.32Å; H189-S193 WeakPolarHBondContact O-CB 3.43Å; H189-S193 PolarHBondContact O-N 3.03Å; H189-S193 PolarHBondContact O-OG 3.41Å; H189-R202 PolarHBondContact CE1-NH2 2.74Å; H189-R202 VanDerWaalsContact CE1-NH2 3.32Å; H189-R202 PolarHBondContact NE2-NH2 2.69Å; H189-E349 IonicContact ND1-OE1 3.83Å
190	A	98.1	Very high	98.7	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-58.7	-56	-176.8	0	0	0	0	0	113	A129 V146 S193 A194 R202	A129-A190 HydrophobicContact CB-CB 3.89Å; V146-A190 HydrophobicContact CG1-CB 4.35Å; A190-S193 PolarHBondContact O-N 2.79Å; A190-S193 PolarHBondContact O-OG 3.05Å; A190-S193 VanDerWaalsContact O-OG 3.07Å; A190-A194 PolarHBondContact O-N 3.2Å; A190-A194 VanDerWaalsContact O-N 3.08Å; A190-R202 HydrophobicContact CB-CB 4.31Å; A190-R202 VanDerWaalsContact CB-CZ 3.44Å
191	T	98.4	Very high	98.7	Very high	0 Å²	0	5.6 Å²	5.6	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-50.3	-55.7	176.4	-70.9	0	0	0	0	114.6	L76 D78 Y135 L136 E349	L76-T191 HydrophobicContact CD1-CG2 4.1Å; L76-T191 HydrophobicContact CG-CG2 4.07Å; D78-T191 WeakPolarHBondContact OD2-CB 3.42Å; D78-T191 PolarHBondContact OD2-OG1 3.31Å; Y135-T191 WeakPolarHBondContact OH-CB 3.44Å; Y135-T191 WeakPolarHBondContact OH-CG2 3.33Å; Y135-T191 PolarHBondContact OH-OG1 3.06Å; L136-T191 VanDerWaalsContact CD1-O 3.25Å; L136-T191 WeakPolarHBondContact CD1-O 3.47Å; T191-E349 HydrophobicContact CG2-CB 4.19Å; T191-E349 VanDerWaalsContact CG2-CD 3.43Å; T191-E349 HydrophobicContact CG2-CG 3.57Å
192	P	98.8	Very high	98.7	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-74.3	-29.5	-179.9	29.1	-32.5	0	0	0	112.1	I181 T183 H189 A195 Y196 E349	I181-P192 HydrophobicContact CG2-CB 3.77Å; T183-P192 HydrophobicContact CG2-CB 4.47Å; T183-P192 HydrophobicContact CG2-CG 4.43Å; H189-P192 HydrophobicContact CB-CG 3.87Å; H189-P192 VanDerWaalsContact O-CD 3.22Å; H189-P192 WeakPolarHBondContact O-CD 3.23Å; H189-P192 WeakPolarHBondContact O-CG 3.32Å; P192-A195 VanDerWaalsContact O-CB 3.23Å; P192-A195 WeakPolarHBondContact O-CB 3.46Å; P192-A195 PolarHBondContact O-N 2.84Å; P192-Y196 VanDerWaalsContact O-CD1 3.27Å; P192-Y196 WeakPolarHBondContact O-CD1 3.43Å; P192-Y196 WeakPolarHBondContact O-CE1 3.49Å; P192-E349 WeakPolarHBondContact CD-OE2 3.43Å
193	S	98.7	Very high	98.6	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-73.3	-36	-177	66.6	0	0	0	0	114.2	H189 A190 A195 Y196 A197	H189-S193 WeakPolarHBondContact O-CB 3.43Å; H189-S193 PolarHBondContact O-N 3.03Å; H189-S193 PolarHBondContact O-OG 3.41Å; A190-S193 PolarHBondContact O-N 2.79Å; A190-S193 PolarHBondContact O-OG 3.05Å; A190-S193 VanDerWaalsContact O-OG 3.07Å; S193-A195 PolarHBondContact O-N 2.88Å; S193-Y196 PolarHBondContact O-N 3.17Å; S193-A197 WeakPolarHBondContact O-CB 3.44Å; S193-A197 PolarHBondContact O-N 3.06Å
194	A	98.6	Very high	98.6	Very high	1 Å²	1	10.2 Å²	10.2	1%	0.008	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-10.7	175.5	0	0	0	0	0	113	A132 L136 V146 A190 Y196	A132-A194 HydrophobicContact CB-CB 3.59Å; L136-A194 HydrophobicContact CD1-CB 4.26Å; V146-A194 HydrophobicContact CB-CB 4.08Å; V146-A194 HydrophobicContact CG1-CB 4.36Å; A190-A194 PolarHBondContact O-N 3.2Å; A190-A194 VanDerWaalsContact O-N 3.08Å; A194-Y196 VanDerWaalsContact C-N 3.31Å
195	A	98.6	Very high	98.6	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-19.8	169.4	0	0	0	0	0	114	L136 S167 L169 I181 P192 S193 I230 L347	L136-A195 HydrophobicContact CD1-CB 3.97Å; S167-A195 WeakPolarHBondContact CB-O 3.34Å; S167-A195 PolarHBondContact OG-O 3.33Å; L169-A195 HydrophobicContact CB-CB 4.35Å; L169-A195 HydrophobicContact CD1-CB 4Å; I181-A195 HydrophobicContact CD1-CB 4.07Å; P192-A195 VanDerWaalsContact O-CB 3.23Å; P192-A195 WeakPolarHBondContact O-CB 3.46Å; P192-A195 PolarHBondContact O-N 2.84Å; S193-A195 PolarHBondContact O-N 2.88Å; A195-I230 WeakPolarHBondContact O-CD1 3.45Å; A195-L347 HydrophobicContact CB-CD2 4.31Å
196	Y	98.8	Very high	98.6	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.008	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.9	-23.9	-173.5	62.1	-100.6	0	0	0	116.2	I181 V187 N188 P192 S193 A194 I222 Q225 L226 N229	I181-Y196 HydrophobicContact CD1-CD1 3.62Å; I181-Y196 HydrophobicContact CD1-CE1 3.97Å; V187-Y196 PolarHBondContact O-OH 2.9Å; N188-Y196 WeakPolarHBondContact CA-OH 3.36Å; N188-Y196 PolarHBondContact ND2-OH 3.29Å; P192-Y196 VanDerWaalsContact O-CD1 3.27Å; P192-Y196 WeakPolarHBondContact O-CD1 3.43Å; P192-Y196 WeakPolarHBondContact O-CE1 3.49Å; S193-Y196 PolarHBondContact O-N 3.17Å; A194-Y196 VanDerWaalsContact C-N 3.31Å; Y196-I222 HydrophobicContact CE2-CG2 3.93Å; Y196-I222 WeakPolarHBondContact OH-CG2 3.22Å; Y196-Q225 HydrophobicContact CD2-CB 4.45Å; Y196-L226 HydrophobicContact CD1-CD1 3.83Å; Y196-L226 VanDerWaalsContact CD2-CA 3.41Å; Y196-L226 HydrophobicContact CD2-CB 4.1Å; Y196-L226 HydrophobicContact CD2-CD1 4.28Å; Y196-L226 HydrophobicContact CE1-CD1 3.51Å; Y196-L226 VanDerWaalsContact CE2-CA 3.42Å; Y196-L226 HydrophobicContact CE2-CB 3.59Å; Y196-L226 HydrophobicContact CE2-CD1 4.02Å; Y196-L226 HydrophobicContact CE2-CG 4.4Å; Y196-L226 HydrophobicContact CG-CD1 4.19Å; Y196-N229 WeakPolarHBondContact O-CB 3.4Å; Y196-N229 PolarHBondContact O-ND2 2.67Å
197	A	98.8	Very high	98.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.044	C	C	.	.			trans	-98.8	154.8	-175.7	0	0	0	0	0	111.9	S193 I222 Q225	S193-A197 WeakPolarHBondContact O-CB 3.44Å; S193-A197 PolarHBondContact O-N 3.06Å; A197-I222 HydrophobicContact CB-CG2 4.38Å; A197-Q225 HydrophobicContact CB-CB 3.95Å
198	H	98.8	Very high	98.5	Very high	46 Å²	46	11.5 Å²	11.5	21%	0.213	6%	0.056	C	C	.	.			trans	-124.5	106.8	168.1	-52.1	-62.7	0	0	0	106.5	V146 G147 V148 E164 V165 Q225	V146-H198 WeakPolarHBondContact O-CA 3.28Å; G147-H198 PolarHBondContact O-ND1 2.88Å; V148-H198 HydrophobicContact CG1-CB 4.09Å; E164-H198 HydrophobicContact CB-CB 4.15Å; E164-H198 HydrophobicContact CG-CB 3.68Å; V165-H198 PolarHBondContact O-CE1 3.07Å; V165-H198 VanDerWaalsContact O-CE1 3.26Å; H198-Q225 PolarHBondContact O-NE2 3.33Å; H198-Q225 PolarHBondContact O-OE1 3.06Å
199	C	98.5	Very high	98.5	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.007	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	-146.5	135.6	-175.8	-163.9	0	0	0	0	111.3	V146 D201 I222	V146-C199 HydrophobicContact CG2-CB 3.62Å; V146-C199 PolarHBondContact N-O 3.5Å; V146-C199 PolarHBondContact O-N 3.29Å; C199-D201 PolarHBondContact O-N 3.39Å; C199-D201 PolarHBondContact SG-O 3.18Å; C199-I222 HydrophobicContact CB-CG1 4.47Å
200	V	98.6	Very high	98.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-74.8	0.7	173.3	-71.3	0	0	0	0	113.5	A152 R154 S155 T160 W204	A152-V200 HydrophobicContact CB-CG1 4.03Å; R154-V200 CarbonylContact C-O 3.56Å; R154-V200 VanDerWaalsContact CA-O 3.23Å; R154-V200 WeakPolarHBondContact CA-O 3.18Å; R154-V200 WeakPolarHBondContact CG-O 3.43Å; S155-V200 PolarHBondContact N-O 2.86Å; T160-V200 WeakPolarHBondContact OG1-CG1 3.46Å; V200-W204 HydrophobicContact CG2-CH2 3.53Å; V200-W204 HydrophobicContact CG2-CZ2 4.41Å; V200-W204 HydrophobicContact CG2-CZ3 3.64Å
201	D	98.7	Very high	98.4	Very high	13 Å²	13	17.3 Å²	17.3	7%	0.07	9%	0.088	C	C	.	.			trans	-150.2	120.7	-180	-150.3	-28	0	0	0	110.6	G144 R154 S155 C199 D203 W204	G144-D201 CarbonylContact O-C 3.24Å; G144-D201 WeakPolarHBondContact O-CA 3.16Å; R154-D201 IonicContact NE-OD1 3.48Å; S155-D201 WeakPolarHBondContact CB-OD2 3.3Å; S155-D201 PolarHBondContact OG-OD2 3.38Å; C199-D201 PolarHBondContact O-N 3.39Å; C199-D201 PolarHBondContact SG-O 3.18Å; D201-D203 PolarHBondContact O-N 2.81Å; D201-D203 PolarHBondContact OD1-N 3.26Å; D201-W204 HydrophobicContact CB-CD2 3.67Å; D201-W204 VanDerWaalsContact CB-CE2 3.44Å; D201-W204 HydrophobicContact CB-CE3 4.32Å; D201-W204 HydrophobicContact CB-CG 3.83Å; D201-W204 HydrophobicContact CB-CZ2 3.92Å; D201-W204 PolarHBondContact O-N 3.43Å; D201-W204 PolarHBondContact OD2-NE1 3.27Å; D201-W204 VanDerWaalsContact OD2-NE1 3.16Å
202	R	98.6	Very high	98.4	Very high	27 Å²	27	22.6 Å²	22.6	10%	0.102	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-23.2	177.2	71.2	-177.5	-80	161	-3.5	112.6	D127 S128 A129 G144 V146 H189 A190 W204 Y205 I222	D127-R202 WeakPolarHBondContact OD2-CD 3.44Å; D127-R202 IonicContact OD2-CZ 2.76Å; D127-R202 IonicContact OD2-NE 2.73Å; D127-R202 IonicContact OD2-NH1 2.75Å; D127-R202 PolarHBondContact OD2-NH1 3.42Å; S128-R202 PolarHBondContact OG-NH1 2.81Å; S128-R202 PolarHBondContact OG-NH2 3.19Å; A129-R202 HydrophobicContact CB-CB 3.99Å; G144-R202 PolarHBondContact O-N 2.97Å; V146-R202 HydrophobicContact CG1-CB 4.39Å; H189-R202 PolarHBondContact CE1-NH2 2.74Å; H189-R202 VanDerWaalsContact CE1-NH2 3.32Å; H189-R202 PolarHBondContact NE2-NH2 2.69Å; A190-R202 HydrophobicContact CB-CB 4.31Å; A190-R202 VanDerWaalsContact CB-CZ 3.44Å; R202-W204 VanDerWaalsContact C-N 3.35Å; R202-Y205 VanDerWaalsContact O-CE1 3.27Å; R202-Y205 WeakPolarHBondContact O-CE1 3.26Å; R202-I222 WeakPolarHBondContact O-CD1 3.18Å
203	D	98.5	Very high	98.3	Very high	64 Å²	64	29 Å²	29	34%	0.342	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-2.1	-173.5	-65.4	-56.3	0	0	0	114.3	R154 D201 Y205 E209	R154-D203 IonicContact NH2-OD2 2.71Å; R154-D203 PolarHBondContact NH2-OD2 2.9Å; D201-D203 PolarHBondContact O-N 2.81Å; D201-D203 PolarHBondContact OD1-N 3.26Å; D203-Y205 HydrophobicContact CB-CE2 4.09Å; D203-Y205 WeakPolarHBondContact O-CD2 3.31Å; D203-Y205 WeakPolarHBondContact O-CE2 3.11Å; D203-Y205 PolarHBondContact O-N 2.81Å; D203-Y205 PolarHBondContact OD1-OH 2.81Å; D203-E209 WeakPolarHBondContact O-CB 3.38Å
204	W	98.6	Very high	98.2	Very high	8 Å²	8	29 Å²	29	3%	0.03	15%	0.147	C	C	.	.			trans	-81.2	53.2	176.3	-64.1	0.4	0	0	0	112.1	S155 C157 V200 D201 R202 S206 M210 P211 A214 C219 D221 I222	S155-W204 WeakPolarHBondContact O-CH2 3.22Å; S155-W204 WeakPolarHBondContact O-CZ2 3.44Å; C157-W204 HydrophobicContact CB-CH2 4.09Å; C157-W204 HydrophobicContact CB-CZ3 4.32Å; V200-W204 HydrophobicContact CG2-CH2 3.53Å; V200-W204 HydrophobicContact CG2-CZ2 4.41Å; V200-W204 HydrophobicContact CG2-CZ3 3.64Å; D201-W204 HydrophobicContact CB-CD2 3.67Å; D201-W204 VanDerWaalsContact CB-CE2 3.44Å; D201-W204 HydrophobicContact CB-CE3 4.32Å; D201-W204 HydrophobicContact CB-CG 3.83Å; D201-W204 HydrophobicContact CB-CZ2 3.92Å; D201-W204 PolarHBondContact O-N 3.43Å; D201-W204 PolarHBondContact OD2-NE1 3.27Å; D201-W204 VanDerWaalsContact OD2-NE1 3.16Å; R202-W204 VanDerWaalsContact C-N 3.35Å; W204-S206 PolarHBondContact O-N 2.73Å; W204-M210 HydrophobicContact CB-CG 3.71Å; W204-M210 HydrophobicContact CD2-CE 4.28Å; W204-M210 HydrophobicContact CD2-CG 3.93Å; W204-M210 HydrophobicContact CE3-CE 3.67Å; W204-M210 HydrophobicContact CE3-CG 4.25Å; W204-M210 HydrophobicContact CG-CG 3.68Å; W204-M210 HydrophobicContact CZ3-CE 4.08Å; W204-P211 HydrophobicContact CZ2-CG 4.04Å; W204-A214 HydrophobicContact CE3-CB 4.38Å; W204-A214 HydrophobicContact CH2-CB 3.39Å; W204-A214 HydrophobicContact CZ2-CB 3.89Å; W204-A214 HydrophobicContact CZ3-CB 3.67Å; W204-C219 HydrophobicContact CE3-CB 4.48Å; W204-C219 HydrophobicContact CZ3-CB 3.93Å; W204-D221 WeakPolarHBondContact O-CA 3.34Å; W204-I222 WeakPolarHBondContact O-CG1 3.49Å; W204-I222 PolarHBondContact O-N 3.36Å
205	Y	98.5	Very high	98.2	Very high	20 Å²	20	32 Å²	32	8%	0.078	16%	0.162	C	C	.	.	S	Bend	trans	-57.2	-48.6	-177.3	-54.4	-70.9	0	0	0	112.1	R186 N188 R202 D203 E209 A223 F243	R186-Y205 VanDerWaalsContact NH1-CE2 3.32Å; N188-Y205 HydrophobicContact CB-CD1 4.38Å; N188-Y205 WeakPolarHBondContact O-CD1 3.36Å; R202-Y205 VanDerWaalsContact O-CE1 3.27Å; R202-Y205 WeakPolarHBondContact O-CE1 3.26Å; D203-Y205 HydrophobicContact CB-CE2 4.09Å; D203-Y205 WeakPolarHBondContact O-CD2 3.31Å; D203-Y205 WeakPolarHBondContact O-CE2 3.11Å; D203-Y205 PolarHBondContact O-N 2.81Å; D203-Y205 PolarHBondContact OD1-OH 2.81Å; Y205-E209 HydrophobicContact CD2-CG 4.32Å; Y205-A223 VanDerWaalsContact O-CB 3.27Å; Y205-A223 WeakPolarHBondContact O-CB 3.47Å; Y205-A223 PolarHBondContact O-N 2.86Å; Y205-F243 VanDerWaalsContact CB-CD1 3.47Å; Y205-F243 VanDerWaalsContact CB-CE1 3.47Å; Y205-F243 HydrophobicContact CD2-CE1 4.28Å; Y205-F243 HydrophobicContact CD2-CZ 4.42Å; Y205-F243 HydrophobicContact CG-CE1 4.08Å; Y205-F243 HydrophobicContact CG-CZ 4.19Å
206	S	98.3	Very high	98.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-128.3	175.2	169.2	75.6	0	0	0	0	111.6	W204 N208 E209 T263	W204-S206 PolarHBondContact O-N 2.73Å; S206-N208 PolarHBondContact O-N 3.32Å; S206-N208 VanDerWaalsContact O-N 3.13Å; S206-N208 WeakPolarHBondContact OG-CB 3.25Å; S206-N208 PolarHBondContact OG-N 2.94Å; S206-N208 VanDerWaalsContact OG-N 3.14Å; S206-E209 WeakPolarHBondContact CA-OE2 3.4Å; S206-E209 WeakPolarHBondContact CB-OE2 3.44Å; S206-E209 PolarHBondContact N-OE2 3.06Å; S206-E209 PolarHBondContact O-N 3.42Å; S206-E209 VanDerWaalsContact O-N 3.11Å; S206-E209 PolarHBondContact OG-OE2 3Å; S206-T263 PolarHBondContact OG-OG1 3.39Å
207	D	98.3	Very high	97.9	Very high	6 Å²	6	44.6 Å²	44.6	3%	0.032	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-12.6	171.6	67.5	-61.4	0	0	0	113.1	L215 R264 K265 D266	D207-L215 HydrophobicContact CB-CD2 4.2Å; D207-R264 VanDerWaalsContact OD1-CA 3.27Å; D207-R264 WeakPolarHBondContact OD1-CA 3.14Å; D207-R264 VanDerWaalsContact OD1-CB 3.32Å; D207-R264 WeakPolarHBondContact OD1-CB 3.29Å; D207-R264 WeakPolarHBondContact OD1-CG 3.23Å; D207-R264 IonicContact OD1-CZ 2.75Å; D207-R264 VanDerWaalsContact OD1-CZ 3.3Å; D207-R264 IonicContact OD1-NE 2.77Å; D207-R264 PolarHBondContact OD1-NE 3.02Å; D207-R264 IonicContact OD1-NH1 2.98Å; D207-R264 IonicContact OD1-NH2 3.39Å; D207-R264 PolarHBondContact OD1-NH2 3.44Å; D207-K265 PolarHBondContact O-NZ 3.44Å; D207-K265 VanDerWaalsContact OD2-CA 3.28Å; D207-K265 WeakPolarHBondContact OD2-CA 3.08Å; D207-K265 VanDerWaalsContact OD2-CB 3.24Å; D207-K265 WeakPolarHBondContact OD2-CB 3.09Å; D207-K265 PolarHBondContact OD2-N 3.31Å; D207-D266 PolarHBondContact OD2-N 3.1Å
208	N	97.6	Very high	97.8	Very high	47 Å²	47	47.2 Å²	47.2	25%	0.251	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-33.9	172	-178.2	75	0	0	0	112.7	S206 K265	S206-N208 PolarHBondContact O-N 3.32Å; S206-N208 VanDerWaalsContact O-N 3.13Å; S206-N208 WeakPolarHBondContact OG-CB 3.25Å; S206-N208 PolarHBondContact OG-N 2.94Å; S206-N208 VanDerWaalsContact OG-N 3.14Å; N208-K265 VanDerWaalsContact C-NZ 3.35Å; N208-K265 HydrophobicContact CB-CG 4.34Å; N208-K265 WeakPolarHBondContact O-CE 3.36Å; N208-K265 PolarHBondContact O-NZ 2.94Å
209	E	97.8	Very high	97.7	Very high	64 Å²	64	45.9 Å²	45.9	30%	0.299	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-19.8	-178	-67.2	69.6	-125.7	0	0	113.1	D203 Y205 S206	D203-E209 WeakPolarHBondContact O-CB 3.38Å; Y205-E209 HydrophobicContact CD2-CG 4.32Å; S206-E209 WeakPolarHBondContact CA-OE2 3.4Å; S206-E209 WeakPolarHBondContact CB-OE2 3.44Å; S206-E209 PolarHBondContact N-OE2 3.06Å; S206-E209 PolarHBondContact O-N 3.42Å; S206-E209 VanDerWaalsContact O-N 3.11Å; S206-E209 PolarHBondContact OG-OE2 3Å
210	M	98.3	Very high	97.7	Very high	5 Å²	5	48.8 Å²	48.8	3%	0.025	26%	0.255	C	S	.	.	S	Bend	trans	-70.8	142.9	179.2	-66.8	-176.3	74.4	0	0	113.3	W204 A214 L215 C219 D221	W204-M210 HydrophobicContact CB-CG 3.71Å; W204-M210 HydrophobicContact CD2-CE 4.28Å; W204-M210 HydrophobicContact CD2-CG 3.93Å; W204-M210 HydrophobicContact CE3-CE 3.67Å; W204-M210 HydrophobicContact CE3-CG 4.25Å; W204-M210 HydrophobicContact CG-CG 3.68Å; W204-M210 HydrophobicContact CZ3-CE 4.08Å; M210-A214 HydrophobicContact CE-CB 3.86Å; M210-L215 HydrophobicContact CB-CD1 4.23Å; M210-L215 HydrophobicContact CB-CD2 3.95Å; M210-L215 HydrophobicContact CB-CG 3.84Å; M210-L215 HydrophobicContact CE-CD2 3.94Å; M210-L215 HydrophobicContact CE-CG 4.35Å; M210-L215 HydrophobicContact CG-CD2 4.37Å; M210-L215 HydrophobicContact SD-CD2 3.55Å; M210-L215 VanDerWaalsContact SD-CD2 3.55Å; M210-L215 HydrophobicContact SD-CG 4.35Å; M210-C219 HydrophobicContact CE-CB 3.64Å; M210-D221 HydrophobicContact CG-CB 4.49Å; M210-D221 HydrophobicContact SD-CB 3.78Å; M210-D221 PolarHBondContact SD-N 3Å; M210-D221 VanDerWaalsContact SD-N 3.39Å
211	P	97.8	Very high	97.7	Very high	60 Å²	60	49 Å²	49	39%	0.39	26%	0.256	S	S	.	.			trans	-75.4	148.9	169	31	-33.5	0	0	0	111.8	W204 E213 A214 L215	W204-P211 HydrophobicContact CZ2-CG 4.04Å; P211-E213 PolarHBondContact O-N 3.33Å; P211-A214 HydrophobicContact CG-CB 3.85Å; P211-A214 PolarHBondContact O-N 2.9Å; P211-L215 PolarHBondContact O-N 2.91Å
212	D	97	Very high	97.7	Very high	111 Å²	111	48.3 Å²	48.3	59%	0.594	25%	0.253	S	S	*	.	H	α-helix	trans	-58.3	-25	-178	-66.3	-19.9	0	0	0	113.8	R216	D212-R216 WeakPolarHBondContact O-CB 3.3Å; D212-R216 VanDerWaalsContact O-CG 3.26Å; D212-R216 WeakPolarHBondContact O-CG 3.16Å; D212-R216 PolarHBondContact O-N 3.23Å; D212-R216 VanDerWaalsContact O-N 3.13Å; D212-R216 PolarHBondContact O-NE 3.39Å
213	E	96.9	Very high	97.7	Very high	133 Å²	133	47 Å²	47	62%	0.621	25%	0.248	S	C	*	.	H	α-helix	trans	-67.3	-49.5	171.8	-172.8	172.7	166.5	0	0	111.9	P211 L215 R216 S217	P211-E213 PolarHBondContact O-N 3.33Å; E213-L215 VanDerWaalsContact C-N 3.32Å; E213-L215 PolarHBondContact O-N 2.95Å; E213-R216 PolarHBondContact O-N 3.36Å; E213-S217 WeakPolarHBondContact O-CB 3.5Å; E213-S217 PolarHBondContact O-N 2.59Å; E213-S217 PolarHBondContact O-OG 2.93Å; E213-S217 VanDerWaalsContact O-OG 3.05Å
214	A	97.8	Very high	97.7	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.017	25%	0.246	C	C	.	.	H	α-helix	trans	-62.8	-38.9	179.1	0	0	0	0	0	112.4	C157 W204 M210 P211 S217 G218 C219	C157-A214 HydrophobicContact CB-CB 3.8Å; W204-A214 HydrophobicContact CE3-CB 4.38Å; W204-A214 HydrophobicContact CH2-CB 3.39Å; W204-A214 HydrophobicContact CZ2-CB 3.89Å; W204-A214 HydrophobicContact CZ3-CB 3.67Å; M210-A214 HydrophobicContact CE-CB 3.86Å; P211-A214 HydrophobicContact CG-CB 3.85Å; P211-A214 PolarHBondContact O-N 2.9Å; A214-S217 PolarHBondContact O-N 2.91Å; A214-G218 PolarHBondContact O-N 2.99Å; A214-C219 HydrophobicContact CB-CB 4.39Å; A214-C219 PolarHBondContact O-N 3.37Å
215	L	96.8	Very high	97.7	Very high	63 Å²	63	47.8 Å²	47.8	33%	0.33	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-46.2	174	-69	170.9	0	0	0	111.6	D207 M210 P211 E213 G218	D207-L215 HydrophobicContact CB-CD2 4.2Å; M210-L215 HydrophobicContact CB-CD1 4.23Å; M210-L215 HydrophobicContact CB-CD2 3.95Å; M210-L215 HydrophobicContact CB-CG 3.84Å; M210-L215 HydrophobicContact CE-CD2 3.94Å; M210-L215 HydrophobicContact CE-CG 4.35Å; M210-L215 HydrophobicContact CG-CD2 4.37Å; M210-L215 HydrophobicContact SD-CD2 3.55Å; M210-L215 VanDerWaalsContact SD-CD2 3.55Å; M210-L215 HydrophobicContact SD-CG 4.35Å; P211-L215 PolarHBondContact O-N 2.91Å; E213-L215 VanDerWaalsContact C-N 3.32Å; E213-L215 PolarHBondContact O-N 2.95Å; L215-G218 PolarHBondContact O-N 3.25Å
216	R	96.5	Very high	97.7	Very high	198 Å²	198	47 Å²	47	75%	0.747	24%	0.243	S	C	*	.	H	α-helix	trans	-69.5	-31.3	176.8	-74.1	176.1	-66.1	163.1	4.1	113.2	D212 E213 G218	D212-R216 WeakPolarHBondContact O-CB 3.3Å; D212-R216 VanDerWaalsContact O-CG 3.26Å; D212-R216 WeakPolarHBondContact O-CG 3.16Å; D212-R216 PolarHBondContact O-N 3.23Å; D212-R216 VanDerWaalsContact O-N 3.13Å; D212-R216 PolarHBondContact O-NE 3.39Å; E213-R216 PolarHBondContact O-N 3.36Å; R216-G218 PolarHBondContact O-N 2.86Å
217	S	95.6	Very high	97.6	Very high	68 Å²	68	47.7 Å²	47.7	48%	0.476	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-3.8	174	-64.7	0	0	0	0	113.8	C157 E213 A214	C157-S217 WeakPolarHBondContact SG-CB 3.45Å; E213-S217 WeakPolarHBondContact O-CB 3.5Å; E213-S217 PolarHBondContact O-N 2.59Å; E213-S217 PolarHBondContact O-OG 2.93Å; E213-S217 VanDerWaalsContact O-OG 3.05Å; A214-S217 PolarHBondContact O-N 2.91Å
218	G	96.1	Very high	97.5	Very high	55 Å²	55	50.2 Å²	50.2	57%	0.567	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.4	11.6	172.9	0	0	0	0	0	115.4	A214 L215 R216	A214-G218 PolarHBondContact O-N 2.99Å; L215-G218 PolarHBondContact O-N 3.25Å; R216-G218 PolarHBondContact O-N 2.86Å
219	C	97.7	Very high	97.5	Very high	18 Å²	18	50 Å²	50	12%	0.122	26%	0.257	C	S	.	.			trans	-63.8	157.3	167	-74.6	0	0	0	0	110.8	C157 W204 M210 A214	C157-C219 WeakPolarHBondContact CA-SG 3.23Å; C157-C219 HydrophobicContact CB-CB 4.05Å; C157-C219 WeakPolarHBondContact CB-SG 3.15Å; C157-C219 WeakPolarHBondContact SG-CB 3.14Å; C157-C219 PolarHBondContact SG-N 2.97Å; C157-C219 CovalentContact SG-SG 2.03Å; C157-C219 PolarHBondContact SG-SG 3Å; W204-C219 HydrophobicContact CE3-CB 4.48Å; W204-C219 HydrophobicContact CZ3-CB 3.93Å; M210-C219 HydrophobicContact CE-CB 3.64Å; A214-C219 HydrophobicContact CB-CB 4.39Å; A214-C219 PolarHBondContact O-N 3.37Å
220	K	98.1	Very high	97.4	Very high	62 Å²	62	47.4 Å²	47.4	27%	0.27	25%	0.245	S	C	.	.			trans	-121.3	138.4	-178.6	-62.5	-177.6	-172.1	-176.8	0	109.7	R224 Q225 E228	K220-R224 HydrophobicContact CB-CG 4.5Å; K220-R224 HydrophobicContact CD-CG 4.47Å; K220-Q225 HydrophobicContact CB-CG 3.62Å; K220-Q225 HydrophobicContact CD-CG 4.3Å; K220-Q225 PolarHBondContact O-NE2 2.82Å; K220-E228 WeakPolarHBondContact CE-OE2 3.31Å; K220-E228 IonicContact NZ-OE2 3.54Å; K220-E228 PolarHBondContact NZ-OE2 3.03Å
221	D	98.6	Very high	97.1	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.021	26%	0.258	C	S	.	.			trans	-63.2	154.2	170.7	63	100	0	0	0	112.1	W204 M210 A223 R224 Q225 R264	W204-D221 WeakPolarHBondContact O-CA 3.34Å; M210-D221 HydrophobicContact CG-CB 4.49Å; M210-D221 HydrophobicContact SD-CB 3.78Å; M210-D221 PolarHBondContact SD-N 3Å; M210-D221 VanDerWaalsContact SD-N 3.39Å; D221-A223 PolarHBondContact O-N 3.01Å; D221-R224 VanDerWaalsContact CG-CB 3.44Å; D221-R224 WeakPolarHBondContact O-CB 3.41Å; D221-R224 PolarHBondContact O-N 3.45Å; D221-R224 VanDerWaalsContact OD1-CB 3.27Å; D221-R224 WeakPolarHBondContact OD1-CB 3.44Å; D221-R224 PolarHBondContact OD1-N 2.91Å; D221-R224 WeakPolarHBondContact OD2-CB 3.37Å; D221-Q225 WeakPolarHBondContact O-CG 3.21Å; D221-Q225 PolarHBondContact O-N 3.32Å; D221-R264 VanDerWaalsContact CG-NH2 3.31Å; D221-R264 IonicContact OD1-CZ 3.52Å; D221-R264 IonicContact OD1-NH1 3.74Å; D221-R264 PolarHBondContact OD1-NH1 3.15Å; D221-R264 IonicContact OD1-NH2 3.04Å; D221-R264 PolarHBondContact OD1-NH2 2.9Å; D221-R264 IonicContact OD2-CZ 2.64Å; D221-R264 IonicContact OD2-NH1 2.75Å; D221-R264 IonicContact OD2-NH2 3.07Å; D221-R264 PolarHBondContact OD2-NH2 3.46Å
222	I	98.8	Very high	97	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-63.8	-41.5	-173.1	-64.6	169.9	0	0	0	111.1	N188 Y196 A197 C199 R202 W204 R224 Q225 L226	N188-I222 HydrophobicContact CB-CB 4.32Å; N188-I222 HydrophobicContact CB-CG2 3.71Å; Y196-I222 HydrophobicContact CE2-CG2 3.93Å; Y196-I222 WeakPolarHBondContact OH-CG2 3.22Å; A197-I222 HydrophobicContact CB-CG2 4.38Å; C199-I222 HydrophobicContact CB-CG1 4.47Å; R202-I222 WeakPolarHBondContact O-CD1 3.18Å; W204-I222 WeakPolarHBondContact O-CG1 3.49Å; W204-I222 PolarHBondContact O-N 3.36Å; I222-R224 VanDerWaalsContact C-N 3.29Å; I222-R224 PolarHBondContact O-N 2.85Å; I222-Q225 PolarHBondContact O-N 3.34Å; I222-L226 PolarHBondContact O-N 2.95Å; I222-L226 VanDerWaalsContact O-N 3.1Å
223	A	98.6	Very high	97	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-58.8	-39	176.4	0	0	0	0	0	112.8	N188 Y205 D221 L226 F243 M244 L270	N188-A223 WeakPolarHBondContact ND2-CA 3.27Å; Y205-A223 VanDerWaalsContact O-CB 3.27Å; Y205-A223 WeakPolarHBondContact O-CB 3.47Å; Y205-A223 PolarHBondContact O-N 2.86Å; D221-A223 PolarHBondContact O-N 3.01Å; A223-L226 WeakPolarHBondContact O-CB 3.36Å; A223-F243 HydrophobicContact CB-CB 3.95Å; A223-M244 HydrophobicContact CB-CE 4.28Å; A223-M244 HydrophobicContact CB-SD 3.91Å; A223-L270 HydrophobicContact CB-CD1 3.93Å; A223-L270 WeakPolarHBondContact O-CD1 3.37Å
224	R	97.9	Very high	97.1	Very high	78 Å²	78	40 Å²	40	29%	0.294	20%	0.203	S	C	.	.	H	α-helix	trans	-66.9	-42.1	171.3	177.9	-176.9	-179.8	-178.6	-2.2	112.7	K220 D221 I222 L226 F227 E228 R268 L270	K220-R224 HydrophobicContact CB-CG 4.5Å; K220-R224 HydrophobicContact CD-CG 4.47Å; D221-R224 VanDerWaalsContact CG-CB 3.44Å; D221-R224 WeakPolarHBondContact O-CB 3.41Å; D221-R224 PolarHBondContact O-N 3.45Å; D221-R224 VanDerWaalsContact OD1-CB 3.27Å; D221-R224 WeakPolarHBondContact OD1-CB 3.44Å; D221-R224 PolarHBondContact OD1-N 2.91Å; D221-R224 WeakPolarHBondContact OD2-CB 3.37Å; I222-R224 VanDerWaalsContact C-N 3.29Å; I222-R224 PolarHBondContact O-N 2.85Å; R224-L226 VanDerWaalsContact C-N 3.28Å; R224-L226 PolarHBondContact O-N 2.91Å; R224-F227 PolarHBondContact O-N 2.88Å; R224-E228 HydrophobicContact CG-CG 4.38Å; R224-E228 WeakPolarHBondContact CG-OE1 3.49Å; R224-E228 IonicContact CZ-OE1 3.71Å; R224-E228 IonicContact CZ-OE2 2.73Å; R224-E228 IonicContact NE-OE1 3.65Å; R224-E228 PolarHBondContact NE-OE1 2.89Å; R224-E228 IonicContact NE-OE2 3.68Å; R224-E228 PolarHBondContact NE-OE2 2.86Å; R224-E228 IonicContact NH2-OE1 3.89Å; R224-E228 PolarHBondContact NH2-OE1 2.99Å; R224-E228 IonicContact NH2-OE2 3.66Å; R224-E228 PolarHBondContact NH2-OE2 2.76Å; R224-E228 PolarHBondContact O-N 2.84Å; R224-R268 VanDerWaalsContact NE-NH1 3.18Å; R224-L270 HydrophobicContact CB-CD1 4.5Å
225	Q	98.6	Very high	97.2	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-64	-31.7	-178.2	-69.6	-163.3	57.7	0	0	113	Y196 A197 H198 K220 D221 I222 F227 E228 N229	Y196-Q225 HydrophobicContact CD2-CB 4.45Å; A197-Q225 HydrophobicContact CB-CB 3.95Å; H198-Q225 PolarHBondContact O-NE2 3.33Å; H198-Q225 PolarHBondContact O-OE1 3.06Å; K220-Q225 HydrophobicContact CB-CG 3.62Å; K220-Q225 HydrophobicContact CD-CG 4.3Å; K220-Q225 PolarHBondContact O-NE2 2.82Å; D221-Q225 WeakPolarHBondContact O-CG 3.21Å; D221-Q225 PolarHBondContact O-N 3.32Å; I222-Q225 PolarHBondContact O-N 3.34Å; Q225-F227 PolarHBondContact O-N 2.86Å; Q225-E228 PolarHBondContact O-N 2.87Å; Q225-N229 WeakPolarHBondContact O-CB 3.23Å; Q225-N229 PolarHBondContact O-N 3.17Å; Q225-N229 PolarHBondContact OE1-ND2 2.93Å
226	L	98.5	Very high	97.3	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-50.1	-38.9	175.7	-179.9	62.3	0	0	0	113.5	V187 Y196 I222 A223 R224 I233 I236 M244	V187-L226 HydrophobicContact CG2-CD2 3.96Å; Y196-L226 HydrophobicContact CD1-CD1 3.83Å; Y196-L226 VanDerWaalsContact CD2-CA 3.41Å; Y196-L226 HydrophobicContact CD2-CB 4.1Å; Y196-L226 HydrophobicContact CD2-CD1 4.28Å; Y196-L226 HydrophobicContact CE1-CD1 3.51Å; Y196-L226 VanDerWaalsContact CE2-CA 3.42Å; Y196-L226 HydrophobicContact CE2-CB 3.59Å; Y196-L226 HydrophobicContact CE2-CD1 4.02Å; Y196-L226 HydrophobicContact CE2-CG 4.4Å; Y196-L226 HydrophobicContact CG-CD1 4.19Å; I222-L226 PolarHBondContact O-N 2.95Å; I222-L226 VanDerWaalsContact O-N 3.1Å; A223-L226 WeakPolarHBondContact O-CB 3.36Å; R224-L226 VanDerWaalsContact C-N 3.28Å; R224-L226 PolarHBondContact O-N 2.91Å; L226-I233 HydrophobicContact CD1-CD1 4.03Å; L226-I236 HydrophobicContact CD1-CD1 3.8Å; L226-I236 HydrophobicContact CD1-CG1 4.26Å; L226-I236 HydrophobicContact CD1-CG2 4.47Å; L226-I236 HydrophobicContact CD2-CD1 4.3Å; L226-I236 HydrophobicContact CD2-CG2 4.35Å; L226-I236 HydrophobicContact CG-CD1 4.05Å; L226-M244 HydrophobicContact CD2-CE 3.87Å
227	F	97.2	Very high	97.4	Very high	16 Å²	16	27.5 Å²	27.5	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-104.2	-12.6	-176.3	-51.7	-58.4	0	0	0	114.1	R224 Q225 I236 M244 L270 W274 K277 L304	R224-F227 PolarHBondContact O-N 2.88Å; Q225-F227 PolarHBondContact O-N 2.86Å; F227-I236 HydrophobicContact CE1-CD1 4.03Å; F227-M244 HydrophobicContact CE2-CE 4.49Å; F227-M244 HydrophobicContact CE2-SD 3.77Å; F227-M244 HydrophobicContact CZ-SD 4.21Å; F227-L270 HydrophobicContact CD2-CB 3.98Å; F227-L270 HydrophobicContact CD2-CD1 4.43Å; F227-L270 HydrophobicContact CE2-CB 3.76Å; F227-L270 HydrophobicContact CE2-CD1 4.44Å; F227-W274 HydrophobicContact CD1-CB 4.2Å; F227-W274 AromaticContact CD1-CD1 3.37Å; F227-W274 HydrophobicContact CD1-CG 4.04Å; F227-W274 HydrophobicContact CE1-CB 4.15Å; F227-W274 AromaticContact CE1-CD1 3.51Å; F227-W274 AromaticContact CE1-CG 3.91Å; F227-W274 HydrophobicContact CE1-CG 3.91Å; F227-W274 HydrophobicContact CZ-CB 4.47Å; F227-K277 PolarHBondContact O-NZ 3.31Å; F227-L304 HydrophobicContact CE1-CD1 4.28Å; F227-L304 HydrophobicContact CE1-CD2 4.01Å; F227-L304 HydrophobicContact CZ-CD1 4.27Å; F227-L304 HydrophobicContact CZ-CD2 3.84Å
228	E	96.1	Very high	97.6	Very high	59 Å²	59	24.3 Å²	24.3	28%	0.276	13%	0.129	S	C	.	.	H	α-helix	trans	-100.3	-39.5	-177.9	-71.7	-175.6	-155.8	0	0	113.3	K220 R224 Q225 R268	K220-E228 WeakPolarHBondContact CE-OE2 3.31Å; K220-E228 IonicContact NZ-OE2 3.54Å; K220-E228 PolarHBondContact NZ-OE2 3.03Å; R224-E228 HydrophobicContact CG-CG 4.38Å; R224-E228 WeakPolarHBondContact CG-OE1 3.49Å; R224-E228 IonicContact CZ-OE1 3.71Å; R224-E228 IonicContact CZ-OE2 2.73Å; R224-E228 IonicContact NE-OE1 3.65Å; R224-E228 PolarHBondContact NE-OE1 2.89Å; R224-E228 IonicContact NE-OE2 3.68Å; R224-E228 PolarHBondContact NE-OE2 2.86Å; R224-E228 IonicContact NH2-OE1 3.89Å; R224-E228 PolarHBondContact NH2-OE1 2.99Å; R224-E228 IonicContact NH2-OE2 3.66Å; R224-E228 PolarHBondContact NH2-OE2 2.76Å; R224-E228 PolarHBondContact O-N 2.84Å; Q225-E228 PolarHBondContact O-N 2.87Å; E228-R268 IonicContact OE1-CZ 2.78Å; E228-R268 IonicContact OE1-NH1 2.71Å; E228-R268 IonicContact OE1-NH2 3.37Å; E228-R268 PolarHBondContact OE1-NH2 3.21Å
229	N	97	Very high	97.7	Very high	42 Å²	42	21.7 Å²	21.7	23%	0.225	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-42.8	-174.3	-67.8	8.2	0	0	0	112.9	Y196 Q225 P231	Y196-N229 WeakPolarHBondContact O-CB 3.4Å; Y196-N229 PolarHBondContact O-ND2 2.67Å; Q225-N229 WeakPolarHBondContact O-CB 3.23Å; Q225-N229 PolarHBondContact O-N 3.17Å; Q225-N229 PolarHBondContact OE1-ND2 2.93Å; N229-P231 WeakPolarHBondContact O-CD 3.4Å
230	I	95.8	Very high	97.7	Very high	9 Å²	9	20.8 Å²	20.8	5%	0.046	10%	0.096	C	C	.	.	S	Bend	trans	-123.9	76.9	177.4	-49.6	-171.3	0	0	0	107.3	L169 K170 A195 Y232 I233	L169-I230 HydrophobicContact CD2-CD1 3.66Å; L169-I230 HydrophobicContact CD2-CG2 4.13Å; K170-I230 HydrophobicContact CB-CD1 3.91Å; K170-I230 HydrophobicContact CD-CD1 4.16Å; K170-I230 HydrophobicContact CD-CG1 4.18Å; A195-I230 WeakPolarHBondContact O-CD1 3.45Å; I230-Y232 PolarHBondContact O-N 3.13Å; I230-I233 HydrophobicContact CB-CD1 4.21Å; I230-I233 HydrophobicContact CB-CG1 4.03Å; I230-I233 HydrophobicContact CG2-CD1 4.42Å; I230-I233 HydrophobicContact CG2-CG1 3.74Å; I230-I233 PolarHBondContact O-N 2.85Å
231	P	90.8	Very high	97.8	Very high	47 Å²	47	17.9 Å²	17.9	31%	0.305	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-4.3	-161.6	24.9	-36.1	0	0	0	116.2	N229 M278	N229-P231 WeakPolarHBondContact O-CD 3.4Å; P231-M278 VanDerWaalsContact O-CE 3.27Å; P231-M278 WeakPolarHBondContact O-CE 3.46Å
232	Y	95.9	Very high	97.7	Very high	90 Å²	90	19.7 Å²	19.7	35%	0.353	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.2	50.9	-175.1	-65	-76.6	0	0	0	111.5	K173 I230 N234 M278 Y302	K173-Y232 WeakPolarHBondContact CE-O 3.32Å; K173-Y232 PolarHBondContact NZ-O 2.81Å; I230-Y232 PolarHBondContact O-N 3.13Å; Y232-N234 PolarHBondContact O-N 3.45Å; Y232-M278 HydrophobicContact CD1-CE 3.81Å; Y232-M278 HydrophobicContact CD1-SD 3.78Å; Y232-M278 HydrophobicContact CE1-CE 4.33Å; Y232-M278 HydrophobicContact CE1-SD 3.82Å; Y232-Y302 AromaticContact CD1-CE1 3.99Å; Y232-Y302 HydrophobicContact CD1-CE1 3.99Å; Y232-Y302 AromaticContact CD1-CZ 3.81Å; Y232-Y302 HydrophobicContact CG-CE1 4.43Å
233	I	98.6	Very high	97.7	Very high	4 Å²	4	20 Å²	20	2%	0.021	9%	0.092	C	C	.	.			trans	-67.3	126.8	164.4	-61.6	170	0	0	0	107.7	L169 V179 I181 L226 I230 V235 I236 Y302	L169-I233 HydrophobicContact CD2-CD1 4.46Å; L169-I233 HydrophobicContact CD2-CG1 4.22Å; V179-I233 HydrophobicContact CG2-CB 4.33Å; V179-I233 HydrophobicContact CG2-CG1 4.27Å; V179-I233 HydrophobicContact CG2-CG2 4.23Å; I181-I233 HydrophobicContact CD1-CD1 4.17Å; L226-I233 HydrophobicContact CD1-CD1 4.03Å; I230-I233 HydrophobicContact CB-CD1 4.21Å; I230-I233 HydrophobicContact CB-CG1 4.03Å; I230-I233 HydrophobicContact CG2-CD1 4.42Å; I230-I233 HydrophobicContact CG2-CG1 3.74Å; I230-I233 PolarHBondContact O-N 2.85Å; I233-V235 WeakPolarHBondContact CG2-O 3.16Å; I233-I236 HydrophobicContact CB-CD1 4.12Å; I233-I236 HydrophobicContact CB-CG1 4.03Å; I233-I236 HydrophobicContact CG2-CD1 4.24Å; I233-I236 HydrophobicContact CG2-CG1 3.58Å; I233-Y302 WeakPolarHBondContact O-CD1 3.4Å
234	N	98.8	Very high	97.7	Very high	12 Å²	12	20 Å²	20	6%	0.064	9%	0.092	C	C	.	.	S	Bend	trans	-77.7	-30.7	-172.6	-70.7	96.4	0	0	0	113	K173 S178 V179 Y232 D301 Y302 L303 L337	K173-N234 PolarHBondContact NZ-OD1 2.58Å; S178-N234 WeakPolarHBondContact CA-OD1 3.48Å; V179-N234 PolarHBondContact N-OD1 3.04Å; V179-N234 WeakPolarHBondContact O-CA 3.31Å; V179-N234 WeakPolarHBondContact O-CB 3.35Å; V179-N234 PolarHBondContact O-N 3.2Å; Y232-N234 PolarHBondContact O-N 3.45Å; N234-D301 PolarHBondContact ND2-O 3.35Å; N234-Y302 WeakPolarHBondContact ND2-CE1 3.44Å; N234-Y302 CarbonylContact O-C 3.6Å; N234-Y302 VanDerWaalsContact O-CA 3.31Å; N234-Y302 WeakPolarHBondContact O-CA 3.31Å; N234-L303 PolarHBondContact O-N 3.32Å; N234-L337 HydrophobicContact CB-CD2 3.84Å
235	V	98.9	Very high	97.8	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	124.5	176	-179.6	0	0	0	0	109.9	V179 G180 I181 I233 M237 L303 A333 I336 L337	V179-V235 PolarHBondContact O-N 3.37Å; G180-V235 CarbonylContact C-O 3.59Å; G180-V235 WeakPolarHBondContact CA-O 3.4Å; I181-V235 PolarHBondContact N-O 3.47Å; I233-V235 WeakPolarHBondContact CG2-O 3.16Å; V235-M237 HydrophobicContact CG1-CE 3.69Å; V235-M237 HydrophobicContact CG1-CG 4.21Å; V235-L303 WeakPolarHBondContact CA-O 3.26Å; V235-L303 HydrophobicContact CG1-CD2 4.5Å; V235-A333 HydrophobicContact CG1-CB 3.89Å; V235-I336 HydrophobicContact CG2-CB 3.96Å; V235-I336 HydrophobicContact CG2-CD1 4.25Å; V235-I336 HydrophobicContact CG2-CG2 3.69Å; V235-L337 HydrophobicContact CG2-CD2 4.05Å; V235-L337 HydrophobicContact CG2-CG 3.99Å
236	I	98.9	Very high	97.8	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.9	169.7	-60.9	160.8	0	0	0	106.2	I181 V187 L226 F227 I233 L303 L304 G305	I181-I236 CarbonylContact O-C 3.5Å; I181-I236 WeakPolarHBondContact O-CA 3.5Å; V187-I236 HydrophobicContact CB-CG2 4.04Å; V187-I236 HydrophobicContact CG1-CG2 3.85Å; V187-I236 HydrophobicContact CG2-CG2 4.15Å; L226-I236 HydrophobicContact CD1-CD1 3.8Å; L226-I236 HydrophobicContact CD1-CG1 4.26Å; L226-I236 HydrophobicContact CD1-CG2 4.47Å; L226-I236 HydrophobicContact CD2-CD1 4.3Å; L226-I236 HydrophobicContact CD2-CG2 4.35Å; L226-I236 HydrophobicContact CG-CD1 4.05Å; F227-I236 HydrophobicContact CE1-CD1 4.03Å; I233-I236 HydrophobicContact CB-CD1 4.12Å; I233-I236 HydrophobicContact CB-CG1 4.03Å; I233-I236 HydrophobicContact CG2-CD1 4.24Å; I233-I236 HydrophobicContact CG2-CG1 3.58Å; I236-L303 PolarHBondContact N-O 3.43Å; I236-L304 HydrophobicContact CB-CD1 3.75Å; I236-L304 HydrophobicContact CD1-CD1 4.11Å; I236-L304 HydrophobicContact CG2-CD1 3.63Å; I236-L304 CarbonylContact O-C 3.5Å; I236-L304 WeakPolarHBondContact O-CA 3.3Å; I236-G305 PolarHBondContact O-N 3.02Å
237	M	98.9	Very high	97.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.6	177.4	-78.9	-163.3	-74.7	0	0	112.9	I181 V182 T183 V235 L292 L303 G305 F307 M329 V332 A333	I181-M237 PolarHBondContact O-N 2.83Å; V182-M237 CarbonylContact C-O 3.56Å; V182-M237 WeakPolarHBondContact CA-O 3.15Å; V182-M237 HydrophobicContact CG2-CB 4.33Å; V182-M237 HydrophobicContact CG2-CE 4.22Å; T183-M237 PolarHBondContact N-O 3.38Å; V235-M237 HydrophobicContact CG1-CE 3.69Å; V235-M237 HydrophobicContact CG1-CG 4.21Å; M237-L292 HydrophobicContact SD-CD1 3.55Å; M237-L292 VanDerWaalsContact SD-CD1 3.55Å; M237-L292 HydrophobicContact SD-CD2 4.11Å; M237-L303 HydrophobicContact CE-CD2 4.08Å; M237-L303 HydrophobicContact CG-CD2 4.32Å; M237-L303 HydrophobicContact SD-CD2 3.82Å; M237-G305 VanDerWaalsContact CA-O 3.32Å; M237-G305 WeakPolarHBondContact CA-O 3.24Å; M237-F307 HydrophobicContact CB-CE2 4.02Å; M237-F307 HydrophobicContact CG-CE2 3.95Å; M237-F307 HydrophobicContact CG-CZ 4.28Å; M237-F307 HydrophobicContact SD-CE2 4Å; M237-F307 HydrophobicContact SD-CZ 3.97Å; M237-M329 HydrophobicContact CB-SD 4.01Å; M237-M329 HydrophobicContact CE-CB 4.04Å; M237-M329 WeakPolarHBondContact CE-O 3.45Å; M237-M329 HydrophobicContact SD-CB 4.19Å; M237-M329 HydrophobicContact SD-CG 4.19Å; M237-V332 HydrophobicContact CE-CB 4.33Å; M237-A333 HydrophobicContact CE-CB 3.85Å
238	G	98.9	Very high	97.7	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158	-152.1	175.8	0	0	0	0	0	111.1	T183 G305 L306 F307	T183-G238 WeakPolarHBondContact O-CA 3.34Å; G238-G305 PolarHBondContact N-O 2.87Å; G238-G305 VanDerWaalsContact N-O 3.09Å; G238-L306 CarbonylContact O-C 3.57Å; G238-L306 WeakPolarHBondContact O-CA 3.33Å; G238-F307 WeakPolarHBondContact O-CD2 3.34Å; G238-F307 PolarHBondContact O-N 2.97Å
239	G	98.8	Very high	97.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-170	172.8	0	0	0	0	0	114.1	T185 R186 V187 E308 L310	T185-G239 PolarHBondContact O-N 2.84Å; R186-G239 WeakPolarHBondContact CA-O 3.43Å; V187-G239 PolarHBondContact N-O 3.17Å; G239-E308 CarbonylContact C-O 3.59Å; G239-L310 CarbonylContact C-O 3.54Å; G239-L310 WeakPolarHBondContact CA-O 3.24Å
240	G	98.6	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.			trans	111.2	16.1	167.2	0	0	0	0	0	116.8	K242 F243 E308 P309 L310	G240-K242 PolarHBondContact O-N 3.33Å; G240-F243 PolarHBondContact O-N 3.42Å; G240-E308 PolarHBondContact N-O 2.91Å; G240-P309 CarbonylContact C-O 3.35Å; G240-P309 VanDerWaalsContact C-O 3.28Å; G240-P309 WeakPolarHBondContact CA-O 3.31Å; G240-L310 PolarHBondContact N-O 2.83Å
241	R	98.8	Very high	97.9	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-48.2	-38.1	-179.7	-68.1	-168.4	-67.8	-107.5	6.1	112.7	F243 M244 Y245 D251 E253 W287 L306 F307 E308 P309	R241-F243 VanDerWaalsContact C-N 3.26Å; R241-F243 PolarHBondContact O-N 3.04Å; R241-F243 VanDerWaalsContact O-N 3.17Å; R241-M244 WeakPolarHBondContact O-CB 3.11Å; R241-M244 PolarHBondContact O-N 3.1Å; R241-Y245 HydrophobicContact CB-CD2 4.33Å; R241-Y245 HydrophobicContact CB-CE2 4.06Å; R241-Y245 WeakPolarHBondContact O-CD2 3.16Å; R241-D251 IonicContact CZ-OD1 2.66Å; R241-D251 IonicContact CZ-OD2 3.69Å; R241-D251 IonicContact NE-OD1 2.63Å; R241-D251 PolarHBondContact NE-OD1 3.38Å; R241-D251 IonicContact NE-OD2 2.71Å; R241-D251 PolarHBondContact NE-OD2 2.82Å; R241-D251 IonicContact NH2-OD1 3.65Å; R241-D251 PolarHBondContact NH2-OD1 2.83Å; R241-D251 IonicContact NH2-OD2 2.93Å; R241-E253 IonicContact CZ-OE2 3.3Å; R241-E253 IonicContact NH1-OE2 3.95Å; R241-E253 PolarHBondContact NH1-OE2 2.91Å; R241-E253 VanDerWaalsContact NH2-CB 3.27Å; R241-E253 IonicContact NH2-OE2 2.67Å; R241-E253 PolarHBondContact NH2-OE2 2.96Å; R241-W287 PolarHBondContact NH1-O 2.68Å; R241-L306 VanDerWaalsContact CD-O 3.24Å; R241-L306 WeakPolarHBondContact CD-O 3.4Å; R241-L306 HydrophobicContact CG-CB 3.54Å; R241-L306 VanDerWaalsContact CG-O 3.29Å; R241-L306 WeakPolarHBondContact CG-O 3.29Å; R241-L306 PolarHBondContact NH1-O 3.05Å; R241-F307 PolarHBondContact NH1-O 2.58Å; R241-E308 PolarHBondContact N-O 3.34Å; R241-P309 PolarHBondContact N-O 2.87Å
242	K	98.3	Very high	98.3	Very high	42 Å²	42	32 Å²	32	18%	0.183	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-57.4	-31	-174.7	-177.8	163.7	174.9	-176.6	0	115	G240 M244 K259 S261 G262 T263 P309 L310	G240-K242 PolarHBondContact O-N 3.33Å; K242-M244 VanDerWaalsContact C-N 3.35Å; K242-K259 PolarHBondContact NZ-O 2.89Å; K242-S261 WeakPolarHBondContact CG-O 3.42Å; K242-G262 WeakPolarHBondContact O-CA 3.44Å; K242-T263 HydrophobicContact CD-CG2 4.09Å; K242-T263 HydrophobicContact CG-CG2 3.64Å; K242-T263 PolarHBondContact O-N 3.49Å; K242-T263 PolarHBondContact O-OG1 2.81Å; K242-P309 HydrophobicContact CB-CB 4.11Å; K242-P309 WeakPolarHBondContact CB-O 3.5Å; K242-P309 PolarHBondContact N-O 2.93Å; K242-L310 HydrophobicContact CD-CD2 4.01Å; K242-L310 HydrophobicContact CD-CG 4.44Å
243	F	98.6	Very high	98.4	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.035	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-85.4	-11	-177.5	-53.9	-72	0	0	0	113.1	R186 Y205 A223 G240 R241 R264 L310	R186-F243 HydrophobicContact CB-CE2 4.43Å; Y205-F243 VanDerWaalsContact CB-CD1 3.47Å; Y205-F243 VanDerWaalsContact CB-CE1 3.47Å; Y205-F243 HydrophobicContact CD2-CE1 4.28Å; Y205-F243 HydrophobicContact CD2-CZ 4.42Å; Y205-F243 HydrophobicContact CG-CE1 4.08Å; Y205-F243 HydrophobicContact CG-CZ 4.19Å; A223-F243 HydrophobicContact CB-CB 3.95Å; G240-F243 PolarHBondContact O-N 3.42Å; R241-F243 VanDerWaalsContact C-N 3.26Å; R241-F243 PolarHBondContact O-N 3.04Å; R241-F243 VanDerWaalsContact O-N 3.17Å; F243-R264 WeakPolarHBondContact O-CD 3.44Å; F243-R264 WeakPolarHBondContact O-CG 3.18Å; F243-R264 PolarHBondContact O-NH1 2.83Å; F243-R264 VanDerWaalsContact O-NH1 3.1Å; F243-L310 HydrophobicContact CE2-CD2 3.66Å; F243-L310 HydrophobicContact CZ-CD2 3.52Å
244	M	98.6	Very high	98.3	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-23.1	-178.4	-51.2	-59.3	173.7	0	0	113.5	V187 N188 A223 L226 F227 R241 K242 N269 L270 V271 L306	V187-M244 HydrophobicContact CG2-CE 3.87Å; N188-M244 VanDerWaalsContact OD1-CE 3.23Å; N188-M244 WeakPolarHBondContact OD1-CE 3.47Å; A223-M244 HydrophobicContact CB-CE 4.28Å; A223-M244 HydrophobicContact CB-SD 3.91Å; L226-M244 HydrophobicContact CD2-CE 3.87Å; F227-M244 HydrophobicContact CE2-CE 4.49Å; F227-M244 HydrophobicContact CE2-SD 3.77Å; F227-M244 HydrophobicContact CZ-SD 4.21Å; R241-M244 WeakPolarHBondContact O-CB 3.11Å; R241-M244 PolarHBondContact O-N 3.1Å; K242-M244 VanDerWaalsContact C-N 3.35Å; M244-N269 CarbonylContact O-C 3.51Å; M244-N269 WeakPolarHBondContact O-CA 3.26Å; M244-L270 HydrophobicContact CB-CB 4.29Å; M244-L270 PolarHBondContact O-N 3.07Å; M244-L270 HydrophobicContact SD-CB 4.25Å; M244-L270 HydrophobicContact SD-CD1 4.21Å; M244-V271 HydrophobicContact CB-CG2 3.97Å; M244-V271 HydrophobicContact CG-CG2 4.33Å; M244-L306 HydrophobicContact CE-CD1 4.13Å; M244-L306 HydrophobicContact CG-CD1 3.73Å
245	Y	98.7	Very high	98.2	Very high	26 Å²	26	34.6 Å²	34.6	10%	0.102	18%	0.181	C	C	.	.	S	Bend	trans	-107.5	150.6	-168.8	-68.4	-62.6	0	0	0	113.8	R241 M249 G262 T263 R264 N269 V271 Y285	R241-Y245 HydrophobicContact CB-CD2 4.33Å; R241-Y245 HydrophobicContact CB-CE2 4.06Å; R241-Y245 WeakPolarHBondContact O-CD2 3.16Å; Y245-M249 HydrophobicContact CD1-SD 3.73Å; Y245-M249 HydrophobicContact CE1-SD 4.48Å; Y245-M249 HydrophobicContact CG-SD 4.2Å; Y245-G262 CarbonylContact O-C 3.49Å; Y245-G262 WeakPolarHBondContact O-CA 3.42Å; Y245-T263 PolarHBondContact O-N 2.93Å; Y245-R264 WeakPolarHBondContact O-CG 3.4Å; Y245-R264 PolarHBondContact O-N 2.84Å; Y245-R264 VanDerWaalsContact O-N 3.1Å; Y245-N269 WeakPolarHBondContact CD1-OD1 3.22Å; Y245-N269 WeakPolarHBondContact CE1-OD1 3.43Å; Y245-V271 HydrophobicContact CE1-CB 4.06Å; Y245-V271 HydrophobicContact CE1-CG2 4.23Å; Y245-Y285 PolarHBondContact OH-OH 3.12Å; Y245-Y285 VanDerWaalsContact OH-OH 3.13Å
246	P	98.6	Very high	98.1	Very high	23 Å²	23	41.8 Å²	41.8	15%	0.149	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-54.3	149.9	176.8	-24.7	33.1	0	0	0	113.3	N248 M249 G262 R268 N269	P246-N248 PolarHBondContact O-N 3.45Å; P246-M249 HydrophobicContact CG-CE 4.19Å; P246-M249 VanDerWaalsContact O-CB 3.31Å; P246-M249 WeakPolarHBondContact O-CB 3.32Å; P246-M249 PolarHBondContact O-N 3.18Å; P246-G262 CarbonylContact O-C 3.34Å; P246-G262 WeakPolarHBondContact O-CA 3.24Å; P246-R268 WeakPolarHBondContact CD-O 3.5Å; P246-R268 WeakPolarHBondContact CG-O 3.5Å; P246-N269 HydrophobicContact CG-CB 4.31Å
247	K	97.8	Very high	98	Very high	118 Å²	118	45.1 Å²	45.1	51%	0.513	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	130.4	176.4	-169	161.6	-173.9	165.8	0	112.2	M249 G262 R264	K247-M249 VanDerWaalsContact C-N 3.28Å; K247-M249 PolarHBondContact O-N 3.13Å; K247-G262 VanDerWaalsContact CA-O 3.27Å; K247-G262 WeakPolarHBondContact CA-O 3.3Å; K247-R264 WeakPolarHBondContact CB-O 3.26Å; K247-R264 PolarHBondContact N-O 2.92Å
248	N	95.3	Very high	97.9	Very high	120 Å²	120	51.9 Å²	51.9	64%	0.642	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.4	7.2	-177.8	-49	-21.6	0	0	0	115.9	P246 S250 G262	P246-N248 PolarHBondContact O-N 3.45Å; N248-S250 PolarHBondContact O-N 3.38Å; N248-G262 PolarHBondContact N-O 2.89Å
249	M	97.8	Very high	97.7	Very high	83 Å²	83	58 Å²	58	41%	0.409	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-68.9	119.2	166.7	-179.3	166.2	-77.2	0	0	109	Y245 P246 K247 S261 G262	Y245-M249 HydrophobicContact CD1-SD 3.73Å; Y245-M249 HydrophobicContact CE1-SD 4.48Å; Y245-M249 HydrophobicContact CG-SD 4.2Å; P246-M249 HydrophobicContact CG-CE 4.19Å; P246-M249 VanDerWaalsContact O-CB 3.31Å; P246-M249 WeakPolarHBondContact O-CB 3.32Å; P246-M249 PolarHBondContact O-N 3.18Å; K247-M249 VanDerWaalsContact C-N 3.28Å; K247-M249 PolarHBondContact O-N 3.13Å; M249-S261 CarbonylContact O-C 3.59Å; M249-S261 WeakPolarHBondContact O-CA 3.39Å; M249-S261 VanDerWaalsContact O-CB 3.26Å; M249-S261 WeakPolarHBondContact O-CB 3.27Å; M249-G262 PolarHBondContact O-N 2.84Å
250	S	97.9	Very high	97.7	Very high	65 Å²	65	59.1 Å²	59.1	46%	0.455	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-57	144.6	177.7	-76.9	0	0	0	0	112.4	N248 P255	N248-S250 PolarHBondContact O-N 3.38Å; S250-P255 WeakPolarHBondContact CB-O 3.41Å; S250-P255 PolarHBondContact OG-O 3Å
251	D	98.6	Very high	97.7	Very high	6 Å²	6	59.5 Å²	59.5	3%	0.032	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-71.4	150.2	171.6	-173.1	-101.6	0	0	0	111	R241 E253 Y254 P255 H260 P309	R241-D251 IonicContact CZ-OD1 2.66Å; R241-D251 IonicContact CZ-OD2 3.69Å; R241-D251 IonicContact NE-OD1 2.63Å; R241-D251 PolarHBondContact NE-OD1 3.38Å; R241-D251 IonicContact NE-OD2 2.71Å; R241-D251 PolarHBondContact NE-OD2 2.82Å; R241-D251 IonicContact NH2-OD1 3.65Å; R241-D251 PolarHBondContact NH2-OD1 2.83Å; R241-D251 IonicContact NH2-OD2 2.93Å; D251-E253 VanDerWaalsContact C-N 3.33Å; D251-E253 PolarHBondContact O-N 3.13Å; D251-E253 WeakPolarHBondContact OD1-CB 3.44Å; D251-E253 PolarHBondContact OD1-N 2.81Å; D251-Y254 PolarHBondContact OD1-N 3.23Å; D251-P255 VanDerWaalsContact O-CA 3.28Å; D251-P255 WeakPolarHBondContact O-CA 3.2Å; D251-H260 HydrophobicContact CB-CB 4.19Å; D251-P309 HydrophobicContact CB-CG 4.33Å
252	V	98.1	Very high	97.6	Very high	72 Å²	72	59.8 Å²	59.8	44%	0.436	31%	0.308	S	S	.	.	S	Bend	trans	-70.9	-26.1	-175.5	65.3	0	0	0	0	113.7	W287	V252-W287 HydrophobicContact CB-CD2 4.44Å; V252-W287 HydrophobicContact CG1-CB 4.1Å; V252-W287 HydrophobicContact CG1-CD2 3.5Å; V252-W287 HydrophobicContact CG1-CE3 3.79Å; V252-W287 HydrophobicContact CG1-CG 3.65Å; V252-W287 HydrophobicContact CG1-CZ3 4.44Å; V252-W287 HydrophobicContact CG2-CD2 4.06Å; V252-W287 HydrophobicContact CG2-CG 4.43Å; V252-W287 HydrophobicContact CG2-CH2 4.46Å; V252-W287 HydrophobicContact CG2-CZ2 3.77Å
253	E	97.9	Very high	97.6	Very high	37 Å²	37	58.3 Å²	58.3	17%	0.173	30%	0.302	C	S	.	.	S	Bend	trans	-103.6	-27.8	-178.7	-170.5	162.4	-153.9	0	0	111.9	R241 D251 P255 W287 T322	R241-E253 IonicContact CZ-OE2 3.3Å; R241-E253 IonicContact NH1-OE2 3.95Å; R241-E253 PolarHBondContact NH1-OE2 2.91Å; R241-E253 VanDerWaalsContact NH2-CB 3.27Å; R241-E253 IonicContact NH2-OE2 2.67Å; R241-E253 PolarHBondContact NH2-OE2 2.96Å; D251-E253 VanDerWaalsContact C-N 3.33Å; D251-E253 PolarHBondContact O-N 3.13Å; D251-E253 WeakPolarHBondContact OD1-CB 3.44Å; D251-E253 PolarHBondContact OD1-N 2.81Å; E253-P255 VanDerWaalsContact O-CD 3.31Å; E253-P255 WeakPolarHBondContact O-CD 3.42Å; E253-W287 HydrophobicContact CB-CE3 4.32Å; E253-W287 HydrophobicContact CB-CZ3 3.95Å; E253-W287 HydrophobicContact CG-CZ3 4.11Å; E253-T322 VanDerWaalsContact OE1-CB 3.25Å; E253-T322 WeakPolarHBondContact OE1-CB 3.48Å; E253-T322 PolarHBondContact OE1-OG1 3.18Å
254	Y	97.8	Very high	97.6	Very high	59 Å²	59	57.9 Å²	57.9	23%	0.231	30%	0.3	C	S	.	.			trans	-120.9	56.3	-179.1	-56.2	-62.6	0	0	0	112.9	D251 D256 M257 H260 E308 P309	D251-Y254 PolarHBondContact OD1-N 3.23Å; Y254-D256 VanDerWaalsContact C-N 3.3Å; Y254-D256 PolarHBondContact O-N 2.98Å; Y254-M257 HydrophobicContact CD1-CE 3.32Å; Y254-M257 HydrophobicContact CE1-CE 4.01Å; Y254-M257 HydrophobicContact CG-CE 3.82Å; Y254-M257 PolarHBondContact O-N 2.84Å; Y254-M257 VanDerWaalsContact O-N 3.1Å; Y254-H260 AromaticContact CG-CD2 3.96Å; Y254-E308 PolarHBondContact OH-OE1 2.71Å; Y254-P309 HydrophobicContact CD2-CG 3.73Å; Y254-P309 HydrophobicContact CE2-CG 4.16Å
255	P	97.3	Very high	97.6	Very high	65 Å²	65	62.2 Å²	62.2	42%	0.422	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-34.4	-167.1	24.1	-35.2	0	0	0	114.2	S250 D251 E253	S250-P255 WeakPolarHBondContact CB-O 3.41Å; S250-P255 PolarHBondContact OG-O 3Å; D251-P255 VanDerWaalsContact O-CA 3.28Å; D251-P255 WeakPolarHBondContact O-CA 3.2Å; E253-P255 VanDerWaalsContact O-CD 3.31Å; E253-P255 WeakPolarHBondContact O-CD 3.42Å
256	D	96.8	Very high	97.5	Very high	152 Å²	152	63.9 Å²	63.9	81%	0.813	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-5.3	-178.4	-55.3	-63.1	0	0	0	113.8	Y254	Y254-D256 VanDerWaalsContact C-N 3.3Å; Y254-D256 PolarHBondContact O-N 2.98Å
257	M	96.9	Very high	97.5	Very high	71 Å²	71	71.1 Å²	71.1	35%	0.35	36%	0.359	S	S	.	.			trans	-104	91.4	-176.5	-72.6	-158.6	-81.3	0	0	112.2	Y254 K259 H260	Y254-M257 HydrophobicContact CD1-CE 3.32Å; Y254-M257 HydrophobicContact CE1-CE 4.01Å; Y254-M257 HydrophobicContact CG-CE 3.82Å; Y254-M257 PolarHBondContact O-N 2.84Å; Y254-M257 VanDerWaalsContact O-N 3.1Å; M257-K259 HydrophobicContact CB-CG 4.18Å; M257-K259 PolarHBondContact O-N 2.99Å; M257-K259 WeakPolarHBondContact SD-CE 3.49Å; M257-H260 WeakPolarHBondContact O-CB 3.41Å; M257-H260 PolarHBondContact O-N 3.18Å
258	I	95.1	Very high	97.5	Very high	142 Å²	142	67.9 Å²	67.9	73%	0.728	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.6	-31.1	179	-59.7	171.9	0	0	0	113.5	H260 S261	I258-H260 PolarHBondContact O-N 2.92Å; I258-S261 WeakPolarHBondContact O-CB 3.47Å; I258-S261 PolarHBondContact O-N 2.86Å; I258-S261 PolarHBondContact O-OG 3.18Å
259	K	96.4	Very high	97.7	Very high	130 Å²	130	63.9 Å²	63.9	57%	0.565	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-22.5	175	57.6	158.6	175.3	146.2	0	114.4	K242 M257	K242-K259 PolarHBondContact NZ-O 2.89Å; M257-K259 HydrophobicContact CB-CG 4.18Å; M257-K259 PolarHBondContact O-N 2.99Å; M257-K259 WeakPolarHBondContact SD-CE 3.49Å
260	H	97.8	Very high	97.7	Very high	22 Å²	22	60 Å²	60	10%	0.102	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-15	-179.2	-68.4	-61.3	0	0	0	113.2	D251 Y254 M257 I258 P309	D251-H260 HydrophobicContact CB-CB 4.19Å; Y254-H260 AromaticContact CG-CD2 3.96Å; M257-H260 WeakPolarHBondContact O-CB 3.41Å; M257-H260 PolarHBondContact O-N 3.18Å; I258-H260 PolarHBondContact O-N 2.92Å; H260-P309 HydrophobicContact CB-CB 4Å; H260-P309 HydrophobicContact CB-CG 3.78Å
261	S	98	Very high	97.7	Very high	8 Å²	8	56.9 Å²	56.9	6%	0.056	28%	0.281	C	S	.	.	S	Bend	trans	-52.9	151.5	173.6	-58.1	0	0	0	0	112.6	K242 M249 I258	K242-S261 WeakPolarHBondContact CG-O 3.42Å; M249-S261 CarbonylContact O-C 3.59Å; M249-S261 WeakPolarHBondContact O-CA 3.39Å; M249-S261 VanDerWaalsContact O-CB 3.26Å; M249-S261 WeakPolarHBondContact O-CB 3.27Å; I258-S261 WeakPolarHBondContact O-CB 3.47Å; I258-S261 PolarHBondContact O-N 2.86Å; I258-S261 PolarHBondContact O-OG 3.18Å
262	G	98.4	Very high	97.7	Very high	6 Å²	6	60.2 Å²	60.2	6%	0.062	30%	0.296	C	S	.	.			trans	-51	153.4	176.5	0	0	0	0	0	113.6	K242 Y245 P246 K247 N248 M249	K242-G262 WeakPolarHBondContact O-CA 3.44Å; Y245-G262 CarbonylContact O-C 3.49Å; Y245-G262 WeakPolarHBondContact O-CA 3.42Å; P246-G262 CarbonylContact O-C 3.34Å; P246-G262 WeakPolarHBondContact O-CA 3.24Å; K247-G262 VanDerWaalsContact CA-O 3.27Å; K247-G262 WeakPolarHBondContact CA-O 3.3Å; N248-G262 PolarHBondContact N-O 2.89Å; M249-G262 PolarHBondContact O-N 2.84Å
263	T	97.6	Very high	97.7	Very high	11 Å²	11	60.4 Å²	60.4	7%	0.067	29%	0.293	C	S	.	.			trans	-110.5	-25.9	-171.1	42.9	0	0	0	0	115.1	S206 K242 Y245 K265	S206-T263 PolarHBondContact OG-OG1 3.39Å; K242-T263 HydrophobicContact CD-CG2 4.09Å; K242-T263 HydrophobicContact CG-CG2 3.64Å; K242-T263 PolarHBondContact O-N 3.49Å; K242-T263 PolarHBondContact O-OG1 2.81Å; Y245-T263 PolarHBondContact O-N 2.93Å; T263-K265 PolarHBondContact O-N 3.43Å
264	R	98.4	Very high	97.8	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-60	122.1	-161.9	-60.9	-165.8	72.6	82.2	4	113.4	D207 D221 F243 Y245 K247 D266	D207-R264 VanDerWaalsContact OD1-CA 3.27Å; D207-R264 WeakPolarHBondContact OD1-CA 3.14Å; D207-R264 VanDerWaalsContact OD1-CB 3.32Å; D207-R264 WeakPolarHBondContact OD1-CB 3.29Å; D207-R264 WeakPolarHBondContact OD1-CG 3.23Å; D207-R264 IonicContact OD1-CZ 2.75Å; D207-R264 VanDerWaalsContact OD1-CZ 3.3Å; D207-R264 IonicContact OD1-NE 2.77Å; D207-R264 PolarHBondContact OD1-NE 3.02Å; D207-R264 IonicContact OD1-NH1 2.98Å; D207-R264 IonicContact OD1-NH2 3.39Å; D207-R264 PolarHBondContact OD1-NH2 3.44Å; D221-R264 VanDerWaalsContact CG-NH2 3.31Å; D221-R264 IonicContact OD1-CZ 3.52Å; D221-R264 IonicContact OD1-NH1 3.74Å; D221-R264 PolarHBondContact OD1-NH1 3.15Å; D221-R264 IonicContact OD1-NH2 3.04Å; D221-R264 PolarHBondContact OD1-NH2 2.9Å; D221-R264 IonicContact OD2-CZ 2.64Å; D221-R264 IonicContact OD2-NH1 2.75Å; D221-R264 IonicContact OD2-NH2 3.07Å; D221-R264 PolarHBondContact OD2-NH2 3.46Å; F243-R264 WeakPolarHBondContact O-CD 3.44Å; F243-R264 WeakPolarHBondContact O-CG 3.18Å; F243-R264 PolarHBondContact O-NH1 2.83Å; F243-R264 VanDerWaalsContact O-NH1 3.1Å; Y245-R264 WeakPolarHBondContact O-CG 3.4Å; Y245-R264 PolarHBondContact O-N 2.84Å; Y245-R264 VanDerWaalsContact O-N 3.1Å; K247-R264 WeakPolarHBondContact CB-O 3.26Å; K247-R264 PolarHBondContact N-O 2.92Å; R264-D266 WeakPolarHBondContact CB-OD1 3.37Å; R264-D266 IonicContact CZ-OD1 3.56Å; R264-D266 IonicContact CZ-OD2 3.6Å; R264-D266 IonicContact NE-OD1 2.72Å; R264-D266 PolarHBondContact NE-OD1 3.26Å; R264-D266 IonicContact NE-OD2 3.53Å; R264-D266 PolarHBondContact NE-OD2 2.85Å; R264-D266 IonicContact NH2-OD1 3.51Å; R264-D266 IonicContact NH2-OD2 3.54Å; R264-D266 PolarHBondContact NH2-OD2 3.2Å
265	K	98.3	Very high	97.8	Very high	91 Å²	91	59.5 Å²	59.5	40%	0.396	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-31.5	177.4	-55	168.4	-177.3	140.9	0	110.7	D207 N208 T263 K267	D207-K265 PolarHBondContact O-NZ 3.44Å; D207-K265 VanDerWaalsContact OD2-CA 3.28Å; D207-K265 WeakPolarHBondContact OD2-CA 3.08Å; D207-K265 VanDerWaalsContact OD2-CB 3.24Å; D207-K265 WeakPolarHBondContact OD2-CB 3.09Å; D207-K265 PolarHBondContact OD2-N 3.31Å; N208-K265 VanDerWaalsContact C-NZ 3.35Å; N208-K265 HydrophobicContact CB-CG 4.34Å; N208-K265 WeakPolarHBondContact O-CE 3.36Å; N208-K265 PolarHBondContact O-NZ 2.94Å; T263-K265 PolarHBondContact O-N 3.43Å; K265-K267 PolarHBondContact O-N 2.88Å
266	D	97.7	Very high	97.8	Very high	61 Å²	61	61.8 Å²	61.8	33%	0.326	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-6.7	178.3	73.4	10.1	0	0	0	114.7	D207 R264 R268	D207-D266 PolarHBondContact OD2-N 3.1Å; R264-D266 WeakPolarHBondContact CB-OD1 3.37Å; R264-D266 IonicContact CZ-OD1 3.56Å; R264-D266 IonicContact CZ-OD2 3.6Å; R264-D266 IonicContact NE-OD1 2.72Å; R264-D266 PolarHBondContact NE-OD1 3.26Å; R264-D266 IonicContact NE-OD2 3.53Å; R264-D266 PolarHBondContact NE-OD2 2.85Å; R264-D266 IonicContact NH2-OD1 3.51Å; R264-D266 IonicContact NH2-OD2 3.54Å; R264-D266 PolarHBondContact NH2-OD2 3.2Å; D266-R268 PolarHBondContact O-N 3.23Å; D266-R268 VanDerWaalsContact OD1-CB 3.27Å; D266-R268 WeakPolarHBondContact OD1-CB 3.47Å; D266-R268 WeakPolarHBondContact OD1-CG 3.43Å; D266-R268 PolarHBondContact OD1-N 3.13Å; D266-R268 VanDerWaalsContact OD2-CD 3.26Å; D266-R268 WeakPolarHBondContact OD2-CD 3.4Å
267	K	97.9	Very high	97.8	Very high	174 Å²	174	58.5 Å²	58.5	76%	0.757	28%	0.276	S	S	*	.			trans	64.5	13.5	179.5	-48.4	174.7	-175.9	173.4	0	114.8	K265	K265-K267 PolarHBondContact O-N 2.88Å
268	R	98.1	Very high	97.8	Very high	51 Å²	51	55.2 Å²	55.2	19%	0.192	26%	0.26	C	S	.	.			trans	-72.7	152.8	175.2	-68.9	172.5	73	-175.4	5.7	111.4	R224 E228 P246 D266 L270 E273	R224-R268 VanDerWaalsContact NE-NH1 3.18Å; E228-R268 IonicContact OE1-CZ 2.78Å; E228-R268 IonicContact OE1-NH1 2.71Å; E228-R268 IonicContact OE1-NH2 3.37Å; E228-R268 PolarHBondContact OE1-NH2 3.21Å; P246-R268 WeakPolarHBondContact CD-O 3.5Å; P246-R268 WeakPolarHBondContact CG-O 3.5Å; D266-R268 PolarHBondContact O-N 3.23Å; D266-R268 VanDerWaalsContact OD1-CB 3.27Å; D266-R268 WeakPolarHBondContact OD1-CB 3.47Å; D266-R268 WeakPolarHBondContact OD1-CG 3.43Å; D266-R268 PolarHBondContact OD1-N 3.13Å; D266-R268 VanDerWaalsContact OD2-CD 3.26Å; D266-R268 WeakPolarHBondContact OD2-CD 3.4Å; R268-L270 HydrophobicContact CB-CD2 4.05Å; R268-E273 WeakPolarHBondContact CB-OE1 3.41Å; R268-E273 WeakPolarHBondContact CG-OE1 3.3Å; R268-E273 IonicContact CZ-OE1 3.78Å; R268-E273 IonicContact CZ-OE2 2.7Å; R268-E273 IonicContact NE-OE1 3.41Å; R268-E273 PolarHBondContact NE-OE1 3.47Å; R268-E273 IonicContact NE-OE2 3.91Å; R268-E273 PolarHBondContact NE-OE2 3.37Å; R268-E273 IonicContact NH2-OE1 3.21Å; R268-E273 IonicContact NH2-OE2 2.86Å; R268-E273 PolarHBondContact NH2-OE2 2.96Å
269	N	98.6	Very high	97.8	Very high	35 Å²	35	55.5 Å²	55.5	19%	0.187	26%	0.256	C	S	.	.			trans	-120	97.2	168.2	-179	-23	0	0	0	107	M244 Y245 P246 V271 E272 E273	M244-N269 CarbonylContact O-C 3.51Å; M244-N269 WeakPolarHBondContact O-CA 3.26Å; Y245-N269 WeakPolarHBondContact CD1-OD1 3.22Å; Y245-N269 WeakPolarHBondContact CE1-OD1 3.43Å; P246-N269 HydrophobicContact CG-CB 4.31Å; N269-V271 VanDerWaalsContact C-N 3.3Å; N269-V271 PolarHBondContact O-N 3.27Å; N269-V271 PolarHBondContact OD1-N 2.93Å; N269-E272 CarbonylContact O-C 3.53Å; N269-E272 WeakPolarHBondContact O-CA 3.27Å; N269-E272 PolarHBondContact O-N 3.28Å; N269-E272 VanDerWaalsContact O-N 3.17Å; N269-E272 PolarHBondContact OD1-N 3.17Å; N269-E273 PolarHBondContact O-N 2.75Å
270	L	98.6	Very high	97.8	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-71	-25	-171.9	-58.9	-174.9	0	0	0	112.8	A223 R224 F227 M244 R268 E273 W274	A223-L270 HydrophobicContact CB-CD1 3.93Å; A223-L270 WeakPolarHBondContact O-CD1 3.37Å; R224-L270 HydrophobicContact CB-CD1 4.5Å; F227-L270 HydrophobicContact CD2-CB 3.98Å; F227-L270 HydrophobicContact CD2-CD1 4.43Å; F227-L270 HydrophobicContact CE2-CB 3.76Å; F227-L270 HydrophobicContact CE2-CD1 4.44Å; M244-L270 HydrophobicContact CB-CB 4.29Å; M244-L270 PolarHBondContact O-N 3.07Å; M244-L270 HydrophobicContact SD-CB 4.25Å; M244-L270 HydrophobicContact SD-CD1 4.21Å; R268-L270 HydrophobicContact CB-CD2 4.05Å; L270-E273 PolarHBondContact O-N 3.36Å; L270-W274 VanDerWaalsContact O-CB 3.31Å; L270-W274 WeakPolarHBondContact O-CB 3.35Å; L270-W274 PolarHBondContact O-N 3.18Å
271	V	98.5	Very high	97.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-68.6	-44.3	170.1	174.3	0	0	0	0	110.3	M244 Y245 N269 W274 K275 Y285 L304 L306	M244-V271 HydrophobicContact CB-CG2 3.97Å; M244-V271 HydrophobicContact CG-CG2 4.33Å; Y245-V271 HydrophobicContact CE1-CB 4.06Å; Y245-V271 HydrophobicContact CE1-CG2 4.23Å; N269-V271 VanDerWaalsContact C-N 3.3Å; N269-V271 PolarHBondContact O-N 3.27Å; N269-V271 PolarHBondContact OD1-N 2.93Å; V271-W274 PolarHBondContact O-N 3.16Å; V271-K275 HydrophobicContact CG1-CD 4.14Å; V271-K275 WeakPolarHBondContact O-CB 3.37Å; V271-K275 WeakPolarHBondContact O-CG 3.24Å; V271-K275 PolarHBondContact O-N 3.2Å; V271-Y285 HydrophobicContact CG1-CD1 3.81Å; V271-Y285 HydrophobicContact CG1-CD2 3.67Å; V271-Y285 HydrophobicContact CG1-CE1 3.94Å; V271-Y285 HydrophobicContact CG1-CE2 3.83Å; V271-Y285 HydrophobicContact CG1-CG 3.66Å; V271-Y285 HydrophobicContact CG2-CD2 4.35Å; V271-Y285 HydrophobicContact CG2-CE2 3.86Å; V271-L304 HydrophobicContact CG2-CD2 4.29Å; V271-L306 HydrophobicContact CG2-CD1 4.21Å
272	E	98.4	Very high	97.7	Very high	75 Å²	75	62.8 Å²	62.8	35%	0.35	29%	0.294	S	S	.	.	H	α-helix	trans	-35.3	-66.3	157.3	51.7	-115.7	117.3	0	0	114.2	N269 W274 K275 N276	N269-E272 CarbonylContact O-C 3.53Å; N269-E272 WeakPolarHBondContact O-CA 3.27Å; N269-E272 PolarHBondContact O-N 3.28Å; N269-E272 VanDerWaalsContact O-N 3.17Å; N269-E272 PolarHBondContact OD1-N 3.17Å; E272-W274 VanDerWaalsContact C-N 3.34Å; E272-W274 PolarHBondContact O-N 3.46Å; E272-K275 HydrophobicContact CB-CD 4.21Å; E272-K275 PolarHBondContact O-N 2.9Å; E272-K275 IonicContact OE1-NZ 3.69Å; E272-K275 PolarHBondContact OE1-NZ 3.37Å; E272-K275 WeakPolarHBondContact OE2-CD 3.32Å; E272-K275 IonicContact OE2-NZ 2.69Å; E272-K275 PolarHBondContact OE2-NZ 2.95Å; E272-N276 PolarHBondContact O-N 2.93Å; E272-N276 PolarHBondContact O-ND2 2.89Å
273	E	98.4	Very high	97.7	Very high	77 Å²	77	64 Å²	64	36%	0.36	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-38.3	-175.1	-68	176.7	-141.4	0	0	112	R268 N269 L270 K277	R268-E273 WeakPolarHBondContact CB-OE1 3.41Å; R268-E273 WeakPolarHBondContact CG-OE1 3.3Å; R268-E273 IonicContact CZ-OE1 3.78Å; R268-E273 IonicContact CZ-OE2 2.7Å; R268-E273 IonicContact NE-OE1 3.41Å; R268-E273 PolarHBondContact NE-OE1 3.47Å; R268-E273 IonicContact NE-OE2 3.91Å; R268-E273 PolarHBondContact NE-OE2 3.37Å; R268-E273 IonicContact NH2-OE1 3.21Å; R268-E273 IonicContact NH2-OE2 2.86Å; R268-E273 PolarHBondContact NH2-OE2 2.96Å; N269-E273 PolarHBondContact O-N 2.75Å; L270-E273 PolarHBondContact O-N 3.36Å; E273-K277 WeakPolarHBondContact O-CB 3.27Å; E273-K277 PolarHBondContact O-N 2.82Å
274	W	98.3	Very high	97.7	Very high	6 Å²	6	67 Å²	67	2%	0.023	32%	0.317	C	S	.	.	H	α-helix	trans	-64.1	-49.1	175.3	-179.2	84.5	0	0	0	112.2	F227 L270 V271 E272 N276 K277 M278 A283 H284 L304	F227-W274 HydrophobicContact CD1-CB 4.2Å; F227-W274 AromaticContact CD1-CD1 3.37Å; F227-W274 HydrophobicContact CD1-CG 4.04Å; F227-W274 HydrophobicContact CE1-CB 4.15Å; F227-W274 AromaticContact CE1-CD1 3.51Å; F227-W274 AromaticContact CE1-CG 3.91Å; F227-W274 HydrophobicContact CE1-CG 3.91Å; F227-W274 HydrophobicContact CZ-CB 4.47Å; L270-W274 VanDerWaalsContact O-CB 3.31Å; L270-W274 WeakPolarHBondContact O-CB 3.35Å; L270-W274 PolarHBondContact O-N 3.18Å; V271-W274 PolarHBondContact O-N 3.16Å; E272-W274 VanDerWaalsContact C-N 3.34Å; E272-W274 PolarHBondContact O-N 3.46Å; W274-N276 PolarHBondContact O-N 2.66Å; W274-K277 WeakPolarHBondContact O-CB 3.3Å; W274-K277 PolarHBondContact O-N 2.9Å; W274-K277 VanDerWaalsContact O-N 3.16Å; W274-M278 HydrophobicContact CD2-CG 4.19Å; W274-M278 HydrophobicContact CG-CG 4.47Å; W274-M278 HydrophobicContact CZ2-CG 4.18Å; W274-M278 WeakPolarHBondContact O-CG 3.14Å; W274-M278 PolarHBondContact O-N 2.74Å; W274-A283 HydrophobicContact CH2-CB 4.13Å; W274-H284 VanDerWaalsContact CH2-O 3.31Å; W274-H284 WeakPolarHBondContact CH2-O 3.39Å; W274-L304 HydrophobicContact CB-CD2 4.43Å; W274-L304 HydrophobicContact CD2-CB 4.13Å; W274-L304 HydrophobicContact CD2-CD2 3.81Å; W274-L304 HydrophobicContact CE3-CB 4.04Å; W274-L304 HydrophobicContact CE3-CD2 3.88Å; W274-L304 HydrophobicContact CG-CD2 4.07Å; W274-L304 HydrophobicContact CH2-CB 3.65Å; W274-L304 HydrophobicContact CZ2-CB 3.71Å; W274-L304 HydrophobicContact CZ3-CB 3.82Å; W274-L304 HydrophobicContact CZ3-CD2 4.47Å
275	K	98	Very high	97.8	Very high	71 Å²	71	69 Å²	69	31%	0.309	32%	0.324	S	S	.	.	H	α-helix	trans	-57.4	-47.8	176.4	-75.4	165.7	171.3	177.7	0	111.7	V271 E272 K277 M278 K279	V271-K275 HydrophobicContact CG1-CD 4.14Å; V271-K275 WeakPolarHBondContact O-CB 3.37Å; V271-K275 WeakPolarHBondContact O-CG 3.24Å; V271-K275 PolarHBondContact O-N 3.2Å; E272-K275 HydrophobicContact CB-CD 4.21Å; E272-K275 PolarHBondContact O-N 2.9Å; E272-K275 IonicContact OE1-NZ 3.69Å; E272-K275 PolarHBondContact OE1-NZ 3.37Å; E272-K275 WeakPolarHBondContact OE2-CD 3.32Å; E272-K275 IonicContact OE2-NZ 2.69Å; E272-K275 PolarHBondContact OE2-NZ 2.95Å; K275-K277 VanDerWaalsContact C-N 3.26Å; K275-K277 PolarHBondContact O-N 2.71Å; K275-M278 CarbonylContact O-C 3.5Å; K275-M278 PolarHBondContact O-N 2.8Å; K275-K279 PolarHBondContact O-N 3.09Å; K275-K279 VanDerWaalsContact O-N 3.08Å
276	N	97.5	Very high	97.8	Very high	113 Å²	113	64.9 Å²	64.9	60%	0.604	31%	0.307	S	S	*	.	H	α-helix	trans	-63.7	-31.7	179.2	-78.3	-71.3	0	0	0	112.8	E272 W274 K279	E272-N276 PolarHBondContact O-N 2.93Å; E272-N276 PolarHBondContact O-ND2 2.89Å; W274-N276 PolarHBondContact O-N 2.66Å; N276-K279 WeakPolarHBondContact O-CG 3.46Å
277	K	96.4	Very high	97.8	Very high	82 Å²	82	64.7 Å²	64.7	36%	0.357	30%	0.302	S	S	.	.	H	α-helix	trans	-74.8	-29.6	176.1	-178.4	175.9	-174.6	164.2	0	113.4	F227 E273 W274 K275	F227-K277 PolarHBondContact O-NZ 3.31Å; E273-K277 WeakPolarHBondContact O-CB 3.27Å; E273-K277 PolarHBondContact O-N 2.82Å; W274-K277 WeakPolarHBondContact O-CB 3.3Å; W274-K277 PolarHBondContact O-N 2.9Å; W274-K277 VanDerWaalsContact O-N 3.16Å; K275-K277 VanDerWaalsContact C-N 3.26Å; K275-K277 PolarHBondContact O-N 2.71Å
278	M	96.6	Very high	97.9	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	27%	0.27	C	S	.	.	S	Bend	trans	-101.1	9.9	-179.3	-57.1	-60.2	-166.9	0	0	113.9	P231 Y232 W274 K275 D280 E281 A283 Y302	P231-M278 VanDerWaalsContact O-CE 3.27Å; P231-M278 WeakPolarHBondContact O-CE 3.46Å; Y232-M278 HydrophobicContact CD1-CE 3.81Å; Y232-M278 HydrophobicContact CD1-SD 3.78Å; Y232-M278 HydrophobicContact CE1-CE 4.33Å; Y232-M278 HydrophobicContact CE1-SD 3.82Å; W274-M278 HydrophobicContact CD2-CG 4.19Å; W274-M278 HydrophobicContact CG-CG 4.47Å; W274-M278 HydrophobicContact CZ2-CG 4.18Å; W274-M278 WeakPolarHBondContact O-CG 3.14Å; W274-M278 PolarHBondContact O-N 2.74Å; K275-M278 CarbonylContact O-C 3.5Å; K275-M278 PolarHBondContact O-N 2.8Å; M278-D280 PolarHBondContact O-N 2.89Å; M278-E281 PolarHBondContact O-N 2.82Å; M278-A283 HydrophobicContact CB-CB 3.38Å; M278-A283 HydrophobicContact CG-CB 4.23Å; M278-Y302 HydrophobicContact CE-CD1 3.89Å; M278-Y302 HydrophobicContact CE-CE1 4.27Å; M278-Y302 HydrophobicContact CE-CG 4.24Å; M278-Y302 HydrophobicContact SD-CD1 4.32Å; M278-Y302 HydrophobicContact SD-CD2 4.27Å; M278-Y302 HydrophobicContact SD-CG 4.16Å
279	K	95.1	Very high	97.9	Very high	148 Å²	148	55.9 Å²	55.9	64%	0.643	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-23.7	-173.5	72.6	-179.9	-171.6	173.2	0	115.4	K275 N276	K275-K279 PolarHBondContact O-N 3.09Å; K275-K279 VanDerWaalsContact O-N 3.08Å; N276-K279 WeakPolarHBondContact O-CG 3.46Å
280	D	96.4	Very high	97.9	Very high	135 Å²	135	61.6 Å²	61.6	72%	0.722	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	2.7	-175.7	-55.3	-57.4	0	0	0	112	M278	M278-D280 PolarHBondContact O-N 2.89Å
281	E	96.9	Very high	97.9	Very high	84 Å²	84	64.2 Å²	64.2	39%	0.393	30%	0.303	S	S	.	.	S	Bend	trans	-116.3	163.6	-178.2	-50.6	-85.4	-177.4	0	0	109.7	M278 A283 Y302	M278-E281 PolarHBondContact O-N 2.82Å; E281-A283 PolarHBondContact O-N 2.8Å; E281-Y302 HydrophobicContact CB-CD2 3.71Å; E281-Y302 HydrophobicContact CB-CE2 3.9Å; E281-Y302 HydrophobicContact CG-CD2 4Å; E281-Y302 HydrophobicContact CG-CE2 3.76Å; E281-Y302 WeakPolarHBondContact OE2-CE2 3.34Å
282	K	97.8	Very high	97.9	Very high	95 Å²	95	64.3 Å²	64.3	41%	0.413	30%	0.304	S	S	.	.			trans	-77.3	75.6	170.9	-55.5	-179.8	-168	171.7	0	110.9	D299 D301 Y302	K282-D299 WeakPolarHBondContact CB-O 3.34Å; K282-D299 HydrophobicContact CD-CB 4.25Å; K282-D299 WeakPolarHBondContact CD-O 3.33Å; K282-D299 IonicContact NZ-OD1 2.66Å; K282-D299 PolarHBondContact NZ-OD1 2.93Å; K282-D301 HydrophobicContact CB-CB 4.35Å; K282-D301 WeakPolarHBondContact CB-OD2 3.37Å; K282-D301 VanDerWaalsContact CG-OD2 3.26Å; K282-D301 WeakPolarHBondContact CG-OD2 3.39Å; K282-D301 PolarHBondContact N-OD2 2.79Å; K282-D301 PolarHBondContact O-N 3.29Å; K282-Y302 PolarHBondContact O-N 2.98Å
283	A	98.2	Very high	97.8	Very high	30 Å²	30	66.8 Å²	66.8	25%	0.248	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	131.8	-171.6	0	0	0	0	0	113.6	W274 M278 E281 Y302	W274-A283 HydrophobicContact CH2-CB 4.13Å; M278-A283 HydrophobicContact CB-CB 3.38Å; M278-A283 HydrophobicContact CG-CB 4.23Å; E281-A283 PolarHBondContact O-N 2.8Å; A283-Y302 CarbonylContact C-O 3.56Å; A283-Y302 VanDerWaalsContact CA-O 3.31Å; A283-Y302 WeakPolarHBondContact CA-O 3.46Å
284	H	98.6	Very high	97.8	Very high	76 Å²	76	67.6 Å²	67.6	35%	0.352	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128	-176.4	-67.5	-98.5	0	0	0	112	W274 L295 Y302 L303 L304	W274-H284 VanDerWaalsContact CH2-O 3.31Å; W274-H284 WeakPolarHBondContact CH2-O 3.39Å; H284-L295 HydrophobicContact CB-CD2 3.94Å; H284-L295 WeakPolarHBondContact ND1-CD2 3.37Å; H284-Y302 PolarHBondContact N-O 2.83Å; H284-L303 HydrophobicContact CB-CD1 4.22Å; H284-L303 WeakPolarHBondContact O-CA 3.32Å; H284-L304 PolarHBondContact O-N 2.83Å
285	Y	98.7	Very high	97.8	Very high	40 Å²	40	68.5 Å²	68.5	16%	0.157	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	129.4	162	176.1	-110.1	0	0	0	109	Y245 V271 W287 L304 L306	Y245-Y285 PolarHBondContact OH-OH 3.12Å; Y245-Y285 VanDerWaalsContact OH-OH 3.13Å; V271-Y285 HydrophobicContact CG1-CD1 3.81Å; V271-Y285 HydrophobicContact CG1-CD2 3.67Å; V271-Y285 HydrophobicContact CG1-CE1 3.94Å; V271-Y285 HydrophobicContact CG1-CE2 3.83Å; V271-Y285 HydrophobicContact CG1-CG 3.66Å; V271-Y285 HydrophobicContact CG2-CD2 4.35Å; V271-Y285 HydrophobicContact CG2-CE2 3.86Å; Y285-W287 HydrophobicContact CE1-CB 4.4Å; Y285-L304 WeakPolarHBondContact CA-O 3.5Å; Y285-L304 HydrophobicContact CD2-CB 4.17Å; Y285-L304 HydrophobicContact CD2-CD2 3.91Å; Y285-L304 HydrophobicContact CD2-CG 3.85Å; Y285-L304 VanDerWaalsContact CD2-O 3.24Å; Y285-L304 WeakPolarHBondContact CD2-O 3.07Å; Y285-L304 HydrophobicContact CE2-CD2 4.32Å; Y285-L304 HydrophobicContact CE2-CG 4.22Å; Y285-L306 HydrophobicContact CE2-CB 4.09Å; Y285-L306 HydrophobicContact CE2-CD1 4.08Å; Y285-L306 HydrophobicContact CE2-CG 4.13Å
286	V	98.8	Very high	97.8	Very high	5 Å²	5	68.9 Å²	68.9	3%	0.03	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.5	174.3	-55.2	0	0	0	0	110	Q291 L292 L295 L303 L304 G305 L306 F307	V286-Q291 HydrophobicContact CB-CB 3.76Å; V286-Q291 HydrophobicContact CG1-CB 3.76Å; V286-L292 HydrophobicContact CG2-CB 4.38Å; V286-L292 HydrophobicContact CG2-CD1 4.31Å; V286-L295 HydrophobicContact CG1-CD1 4.34Å; V286-L303 HydrophobicContact CG1-CD1 4.2Å; V286-L303 HydrophobicContact CG2-CD1 3.89Å; V286-L304 PolarHBondContact N-O 2.93Å; V286-G305 CarbonylContact O-C 3.58Å; V286-G305 VanDerWaalsContact O-CA 3.3Å; V286-G305 WeakPolarHBondContact O-CA 3.04Å; V286-L306 PolarHBondContact O-N 3.34Å; V286-F307 HydrophobicContact CG2-CE1 3.95Å; V286-F307 HydrophobicContact CG2-CZ 4.02Å
287	W	98.6	Very high	97.8	Very high	58 Å²	58	64.6 Å²	64.6	22%	0.22	32%	0.316	C	S	.	.			trans	-125.5	-5.6	176.6	65.9	-98.4	0	0	0	113.6	R241 V252 E253 Y285 Q291 L306 F307	R241-W287 PolarHBondContact NH1-O 2.68Å; V252-W287 HydrophobicContact CB-CD2 4.44Å; V252-W287 HydrophobicContact CG1-CB 4.1Å; V252-W287 HydrophobicContact CG1-CD2 3.5Å; V252-W287 HydrophobicContact CG1-CE3 3.79Å; V252-W287 HydrophobicContact CG1-CG 3.65Å; V252-W287 HydrophobicContact CG1-CZ3 4.44Å; V252-W287 HydrophobicContact CG2-CD2 4.06Å; V252-W287 HydrophobicContact CG2-CG 4.43Å; V252-W287 HydrophobicContact CG2-CH2 4.46Å; V252-W287 HydrophobicContact CG2-CZ2 3.77Å; E253-W287 HydrophobicContact CB-CE3 4.32Å; E253-W287 HydrophobicContact CB-CZ3 3.95Å; E253-W287 HydrophobicContact CG-CZ3 4.11Å; Y285-W287 HydrophobicContact CE1-CB 4.4Å; W287-Q291 VanDerWaalsContact CD1-OE1 3.29Å; W287-L306 WeakPolarHBondContact CA-O 3.36Å; W287-F307 WeakPolarHBondContact O-CA 3.47Å
288	N	98.8	Very high	97.8	Very high	15 Å²	15	68.3 Å²	68.3	8%	0.08	33%	0.333	C	S	.	.	S	Bend	trans	-142.7	170.6	175.3	67.3	45.3	0	0	0	113	E290 Q291 L292 T322	N288-E290 PolarHBondContact OD1-N 2.9Å; N288-Q291 PolarHBondContact ND2-NE2 3.36Å; N288-Q291 PolarHBondContact O-N 2.84Å; N288-Q291 WeakPolarHBondContact OD1-CG 3.32Å; N288-Q291 PolarHBondContact OD1-N 2.93Å; N288-L292 PolarHBondContact O-N 3.07Å; N288-T322 CarbonylContact C-O 3.51Å; N288-T322 WeakPolarHBondContact CA-O 3.33Å
289	K	98.5	Very high	97.8	Very high	25 Å²	25	72.1 Å²	72.1	11%	0.109	35%	0.353	C	S	.	.	H	α-helix	trans	-63.3	-35.6	-178.8	178.2	173	179.6	154	0	114.6	L292 K293 S320 T322 D323 E328	K289-L292 PolarHBondContact O-N 2.98Å; K289-K293 HydrophobicContact CG-CD 4.28Å; K289-K293 WeakPolarHBondContact O-CB 3.48Å; K289-K293 WeakPolarHBondContact O-CG 3.49Å; K289-K293 PolarHBondContact O-N 3.29Å; K289-S320 VanDerWaalsContact CD-O 3.29Å; K289-S320 WeakPolarHBondContact CD-O 3.26Å; K289-S320 VanDerWaalsContact CE-O 3.24Å; K289-S320 WeakPolarHBondContact CE-O 3.28Å; K289-S320 PolarHBondContact NZ-O 2.84Å; K289-T322 WeakPolarHBondContact CB-O 3.48Å; K289-T322 PolarHBondContact N-O 2.94Å; K289-D323 WeakPolarHBondContact CD-O 3.49Å; K289-E328 WeakPolarHBondContact CE-OE1 3.21Å; K289-E328 WeakPolarHBondContact CE-OE2 3.32Å; K289-E328 IonicContact NZ-OE1 2.78Å; K289-E328 PolarHBondContact NZ-OE1 2.9Å; K289-E328 IonicContact NZ-OE2 3.71Å; K289-E328 PolarHBondContact NZ-OE2 3.04Å
290	E	98.3	Very high	97.9	Very high	155 Å²	155	65.2 Å²	65.2	72%	0.724	32%	0.323	S	S	*	.	H	α-helix	trans	-67.2	-44.4	178.2	-173.1	-177.3	178.8	0	0	110.6	N288 K293 S294	N288-E290 PolarHBondContact OD1-N 2.9Å; E290-K293 PolarHBondContact O-N 3.2Å; E290-S294 WeakPolarHBondContact O-CB 3.11Å; E290-S294 PolarHBondContact O-N 2.96Å; E290-S294 PolarHBondContact O-OG 2.96Å
291	Q	98.6	Very high	98	Very high	56 Å²	56	61.7 Å²	61.7	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-62.1	-45.5	172.6	-68.3	165.1	9.5	0	0	111.1	V286 W287 N288 K293 S294	V286-Q291 HydrophobicContact CB-CB 3.76Å; V286-Q291 HydrophobicContact CG1-CB 3.76Å; W287-Q291 VanDerWaalsContact CD1-OE1 3.29Å; N288-Q291 PolarHBondContact ND2-NE2 3.36Å; N288-Q291 PolarHBondContact O-N 2.84Å; N288-Q291 WeakPolarHBondContact OD1-CG 3.32Å; N288-Q291 PolarHBondContact OD1-N 2.93Å; Q291-K293 VanDerWaalsContact C-N 3.31Å; Q291-K293 PolarHBondContact O-N 2.76Å; Q291-S294 WeakPolarHBondContact CA-OG 3.46Å; Q291-S294 PolarHBondContact O-N 3.49Å; Q291-S294 PolarHBondContact O-OG 2.82Å; Q291-S294 VanDerWaalsContact O-OG 3.04Å
292	L	98.7	Very high	98.1	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-59.3	-40	176.9	-177.5	65.2	0	0	0	112.5	M237 V286 N288 K289 L295 L303 F307 P324 M329 V332	M237-L292 HydrophobicContact SD-CD1 3.55Å; M237-L292 VanDerWaalsContact SD-CD1 3.55Å; M237-L292 HydrophobicContact SD-CD2 4.11Å; V286-L292 HydrophobicContact CG2-CB 4.38Å; V286-L292 HydrophobicContact CG2-CD1 4.31Å; N288-L292 PolarHBondContact O-N 3.07Å; K289-L292 PolarHBondContact O-N 2.98Å; L292-L295 HydrophobicContact CD1-CD1 4.38Å; L292-L303 HydrophobicContact CD1-CD2 3.83Å; L292-F307 HydrophobicContact CB-CE1 4.32Å; L292-F307 HydrophobicContact CB-CZ 4.45Å; L292-F307 HydrophobicContact CD1-CZ 4.35Å; L292-F307 HydrophobicContact CD2-CE1 4.36Å; L292-F307 HydrophobicContact CD2-CZ 3.91Å; L292-F307 HydrophobicContact CG-CZ 4.46Å; L292-P324 HydrophobicContact CD2-CB 3.68Å; L292-P324 HydrophobicContact CD2-CG 3.92Å; L292-M329 HydrophobicContact CD2-CG 4.39Å; L292-V332 HydrophobicContact CD1-CB 4.11Å; L292-V332 HydrophobicContact CD1-CG1 3.82Å; L292-V332 HydrophobicContact CD1-CG2 4.16Å; L292-V332 HydrophobicContact CG-CG2 4.12Å
293	K	97.4	Very high	98.2	Very high	127 Å²	127	54.2 Å²	54.2	55%	0.552	27%	0.27	S	S	*	.	H	α-helix	trans	-82.4	-16.5	-178.3	-73.9	-168.8	176.1	-166	0	115.2	K289 E290 Q291 E328	K289-K293 HydrophobicContact CG-CD 4.28Å; K289-K293 WeakPolarHBondContact O-CB 3.48Å; K289-K293 WeakPolarHBondContact O-CG 3.49Å; K289-K293 PolarHBondContact O-N 3.29Å; E290-K293 PolarHBondContact O-N 3.2Å; Q291-K293 VanDerWaalsContact C-N 3.31Å; Q291-K293 PolarHBondContact O-N 2.76Å; K293-E328 WeakPolarHBondContact CE-OE1 3.49Å; K293-E328 IonicContact NZ-OE1 2.7Å; K293-E328 PolarHBondContact NZ-OE1 3.26Å
294	S	97.8	Very high	98.2	Very high	93 Å²	93	52.8 Å²	52.8	65%	0.65	26%	0.258	S	S	*	.	H	α-helix	trans	-85.7	-8	175.5	51.4	0	0	0	0	113.6	E290 Q291	E290-S294 WeakPolarHBondContact O-CB 3.11Å; E290-S294 PolarHBondContact O-N 2.96Å; E290-S294 PolarHBondContact O-OG 2.96Å; Q291-S294 WeakPolarHBondContact CA-OG 3.46Å; Q291-S294 PolarHBondContact O-N 3.49Å; Q291-S294 PolarHBondContact O-OG 2.82Å; Q291-S294 VanDerWaalsContact O-OG 3.04Å
295	L	98.1	Very high	98.2	Very high	26 Å²	26	49.2 Å²	49.2	14%	0.136	24%	0.242	C	C	.	.	S	Bend	trans	-66	144.4	170.1	-57.1	179.1	0	0	0	111.8	H284 V286 L292 P297 V300 L303	H284-L295 HydrophobicContact CB-CD2 3.94Å; H284-L295 WeakPolarHBondContact ND1-CD2 3.37Å; V286-L295 HydrophobicContact CG1-CD1 4.34Å; L292-L295 HydrophobicContact CD1-CD1 4.38Å; L295-P297 WeakPolarHBondContact O-CD 3.48Å; L295-V300 HydrophobicContact CB-CG2 4.31Å; L295-V300 HydrophobicContact CD1-CG2 4.48Å; L295-V300 HydrophobicContact CD2-CG2 4.46Å; L295-L303 HydrophobicContact CD1-CD1 3.66Å; L295-L303 HydrophobicContact CD1-CD2 4.12Å
296	N	97.9	Very high	98.2	Very high	79 Å²	79	47.3 Å²	47.3	42%	0.422	23%	0.234	S	C	.	.			trans	-92.7	107.8	158.3	176.2	19.1	0	0	0	109	K298 D299	N296-K298 PolarHBondContact O-N 3.28Å; N296-K298 PolarHBondContact OD1-N 3.46Å; N296-D299 HydrophobicContact CB-CB 4.41Å; N296-D299 PolarHBondContact ND2-OD2 2.82Å; N296-D299 PolarHBondContact O-N 2.83Å
297	P	97.6	Very high	98.2	Very high	23 Å²	23	47 Å²	47	15%	0.149	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-59.8	-16.7	-176.4	-28.7	38.5	0	0	0	115.7	L295 D299 K335 I336 N339	L295-P297 WeakPolarHBondContact O-CD 3.48Å; P297-D299 VanDerWaalsContact C-N 3.32Å; P297-K335 HydrophobicContact CB-CB 3.49Å; P297-K335 VanDerWaalsContact CB-CB 3.49Å; P297-K335 HydrophobicContact CB-CD 4.48Å; P297-K335 HydrophobicContact CG-CB 4.01Å; P297-K335 HydrophobicContact CG-CD 4.13Å; P297-I336 HydrophobicContact CB-CG1 3.96Å; P297-N339 PolarHBondContact O-ND2 2.95Å
298	K	96.1	Very high	98.2	Very high	160 Å²	160	45 Å²	45	70%	0.696	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-78.9	-15.3	174.8	-62.9	-177	178.5	-178.8	0	113.8	N296	N296-K298 PolarHBondContact O-N 3.28Å; N296-K298 PolarHBondContact OD1-N 3.46Å
299	D	96.6	Very high	98.2	Very high	81 Å²	81	44.2 Å²	44.2	43%	0.433	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-117.1	26.9	-179.3	-77.2	-62.1	0	0	0	111.8	K282 N296 P297	K282-D299 WeakPolarHBondContact CB-O 3.34Å; K282-D299 HydrophobicContact CD-CB 4.25Å; K282-D299 WeakPolarHBondContact CD-O 3.33Å; K282-D299 IonicContact NZ-OD1 2.66Å; K282-D299 PolarHBondContact NZ-OD1 2.93Å; N296-D299 HydrophobicContact CB-CB 4.41Å; N296-D299 PolarHBondContact ND2-OD2 2.82Å; N296-D299 PolarHBondContact O-N 2.83Å; P297-D299 VanDerWaalsContact C-N 3.32Å
300	V	98.4	Very high	98.2	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.018	23%	0.23	C	C	.	.			trans	-124	123	173.9	179.4	0	0	0	0	108.9	L295 Y302 L303 I336	L295-V300 HydrophobicContact CB-CG2 4.31Å; L295-V300 HydrophobicContact CD1-CG2 4.48Å; L295-V300 HydrophobicContact CD2-CG2 4.46Å; V300-Y302 WeakPolarHBondContact CG1-O 3.17Å; V300-L303 HydrophobicContact CG1-CB 4.2Å; V300-I336 HydrophobicContact CB-CD1 4.04Å; V300-I336 HydrophobicContact CB-CG1 4.17Å; V300-I336 HydrophobicContact CG1-CD1 3.76Å; V300-I336 HydrophobicContact CG1-CG1 4.35Å
301	D	98	Very high	98.2	Very high	62 Å²	62	39.3 Å²	39.3	33%	0.332	20%	0.201	S	C	.	.	S	Bend	trans	-93	-34.5	174.7	-60.7	-50.3	0	0	0	110.9	N234 K282	N234-D301 PolarHBondContact ND2-O 3.35Å; K282-D301 HydrophobicContact CB-CB 4.35Å; K282-D301 WeakPolarHBondContact CB-OD2 3.37Å; K282-D301 VanDerWaalsContact CG-OD2 3.26Å; K282-D301 WeakPolarHBondContact CG-OD2 3.39Å; K282-D301 PolarHBondContact N-OD2 2.79Å; K282-D301 PolarHBondContact O-N 3.29Å
302	Y	98.8	Very high	98.2	Very high	22 Å²	22	36.8 Å²	36.8	9%	0.086	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	131.8	-177.4	-62.2	-83.6	0	0	0	112.3	Y232 I233 N234 M278 E281 K282 A283 H284 V300	Y232-Y302 AromaticContact CD1-CE1 3.99Å; Y232-Y302 HydrophobicContact CD1-CE1 3.99Å; Y232-Y302 AromaticContact CD1-CZ 3.81Å; Y232-Y302 HydrophobicContact CG-CE1 4.43Å; I233-Y302 WeakPolarHBondContact O-CD1 3.4Å; N234-Y302 WeakPolarHBondContact ND2-CE1 3.44Å; N234-Y302 CarbonylContact O-C 3.6Å; N234-Y302 VanDerWaalsContact O-CA 3.31Å; N234-Y302 WeakPolarHBondContact O-CA 3.31Å; M278-Y302 HydrophobicContact CE-CD1 3.89Å; M278-Y302 HydrophobicContact CE-CE1 4.27Å; M278-Y302 HydrophobicContact CE-CG 4.24Å; M278-Y302 HydrophobicContact SD-CD1 4.32Å; M278-Y302 HydrophobicContact SD-CD2 4.27Å; M278-Y302 HydrophobicContact SD-CG 4.16Å; E281-Y302 HydrophobicContact CB-CD2 3.71Å; E281-Y302 HydrophobicContact CB-CE2 3.9Å; E281-Y302 HydrophobicContact CG-CD2 4Å; E281-Y302 HydrophobicContact CG-CE2 3.76Å; E281-Y302 WeakPolarHBondContact OE2-CE2 3.34Å; K282-Y302 PolarHBondContact O-N 2.98Å; A283-Y302 CarbonylContact C-O 3.56Å; A283-Y302 VanDerWaalsContact CA-O 3.31Å; A283-Y302 WeakPolarHBondContact CA-O 3.46Å; H284-Y302 PolarHBondContact N-O 2.83Å; V300-Y302 WeakPolarHBondContact CG1-O 3.17Å
303	L	98.9	Very high	98.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	129	177.6	178.5	59.6	0	0	0	111.3	N234 V235 I236 M237 H284 V286 L292 L295 V300 V332 I336	N234-L303 PolarHBondContact O-N 3.32Å; V235-L303 WeakPolarHBondContact CA-O 3.26Å; V235-L303 HydrophobicContact CG1-CD2 4.5Å; I236-L303 PolarHBondContact N-O 3.43Å; M237-L303 HydrophobicContact CE-CD2 4.08Å; M237-L303 HydrophobicContact CG-CD2 4.32Å; M237-L303 HydrophobicContact SD-CD2 3.82Å; H284-L303 HydrophobicContact CB-CD1 4.22Å; H284-L303 WeakPolarHBondContact O-CA 3.32Å; V286-L303 HydrophobicContact CG1-CD1 4.2Å; V286-L303 HydrophobicContact CG2-CD1 3.89Å; L292-L303 HydrophobicContact CD1-CD2 3.83Å; L295-L303 HydrophobicContact CD1-CD1 3.66Å; L295-L303 HydrophobicContact CD1-CD2 4.12Å; V300-L303 HydrophobicContact CG1-CB 4.2Å; L303-V332 HydrophobicContact CD2-CG1 3.89Å; L303-I336 HydrophobicContact CB-CD1 3.91Å; L303-I336 HydrophobicContact CD2-CD1 3.6Å; L303-I336 HydrophobicContact CG-CD1 4.39Å
304	L	98.9	Very high	98.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	100.8	167.3	178.4	61.9	0	0	0	108.7	F227 I236 V271 W274 H284 Y285 V286 L306	F227-L304 HydrophobicContact CE1-CD1 4.28Å; F227-L304 HydrophobicContact CE1-CD2 4.01Å; F227-L304 HydrophobicContact CZ-CD1 4.27Å; F227-L304 HydrophobicContact CZ-CD2 3.84Å; I236-L304 HydrophobicContact CB-CD1 3.75Å; I236-L304 HydrophobicContact CD1-CD1 4.11Å; I236-L304 HydrophobicContact CG2-CD1 3.63Å; I236-L304 CarbonylContact O-C 3.5Å; I236-L304 WeakPolarHBondContact O-CA 3.3Å; V271-L304 HydrophobicContact CG2-CD2 4.29Å; W274-L304 HydrophobicContact CB-CD2 4.43Å; W274-L304 HydrophobicContact CD2-CB 4.13Å; W274-L304 HydrophobicContact CD2-CD2 3.81Å; W274-L304 HydrophobicContact CE3-CB 4.04Å; W274-L304 HydrophobicContact CE3-CD2 3.88Å; W274-L304 HydrophobicContact CG-CD2 4.07Å; W274-L304 HydrophobicContact CH2-CB 3.65Å; W274-L304 HydrophobicContact CZ2-CB 3.71Å; W274-L304 HydrophobicContact CZ3-CB 3.82Å; W274-L304 HydrophobicContact CZ3-CD2 4.47Å; H284-L304 PolarHBondContact O-N 2.83Å; Y285-L304 WeakPolarHBondContact CA-O 3.5Å; Y285-L304 HydrophobicContact CD2-CB 4.17Å; Y285-L304 HydrophobicContact CD2-CD2 3.91Å; Y285-L304 HydrophobicContact CD2-CG 3.85Å; Y285-L304 VanDerWaalsContact CD2-O 3.24Å; Y285-L304 WeakPolarHBondContact CD2-O 3.07Å; Y285-L304 HydrophobicContact CE2-CD2 4.32Å; Y285-L304 HydrophobicContact CE2-CG 4.22Å; V286-L304 PolarHBondContact N-O 2.93Å; L304-L306 HydrophobicContact CD1-CD1 4.15Å; L304-L306 HydrophobicContact CD1-CD2 4.02Å; L304-L306 HydrophobicContact CD1-CG 3.91Å; L304-L306 HydrophobicContact CD2-CD1 4.44Å; L304-L306 HydrophobicContact CG-CD1 4.29Å; L304-L306 HydrophobicContact CG-CG 4.15Å
305	G	98.9	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	109.3	175.5	0	0	0	0	0	111.5	I236 M237 G238 V286	I236-G305 PolarHBondContact O-N 3.02Å; M237-G305 VanDerWaalsContact CA-O 3.32Å; M237-G305 WeakPolarHBondContact CA-O 3.24Å; G238-G305 PolarHBondContact N-O 2.87Å; G238-G305 VanDerWaalsContact N-O 3.09Å; V286-G305 CarbonylContact O-C 3.58Å; V286-G305 VanDerWaalsContact O-CA 3.3Å; V286-G305 WeakPolarHBondContact O-CA 3.04Å
306	L	98.9	Very high	98.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	93.6	178.7	-61.7	-179.5	0	0	0	110	V187 G238 R241 M244 V271 Y285 V286 W287 L304	V187-L306 HydrophobicContact CB-CD2 4.49Å; V187-L306 HydrophobicContact CG1-CD2 4Å; V187-L306 HydrophobicContact CG2-CD2 3.65Å; G238-L306 CarbonylContact O-C 3.57Å; G238-L306 WeakPolarHBondContact O-CA 3.33Å; R241-L306 VanDerWaalsContact CD-O 3.24Å; R241-L306 WeakPolarHBondContact CD-O 3.4Å; R241-L306 HydrophobicContact CG-CB 3.54Å; R241-L306 VanDerWaalsContact CG-O 3.29Å; R241-L306 WeakPolarHBondContact CG-O 3.29Å; R241-L306 PolarHBondContact NH1-O 3.05Å; M244-L306 HydrophobicContact CE-CD1 4.13Å; M244-L306 HydrophobicContact CG-CD1 3.73Å; V271-L306 HydrophobicContact CG2-CD1 4.21Å; Y285-L306 HydrophobicContact CE2-CB 4.09Å; Y285-L306 HydrophobicContact CE2-CD1 4.08Å; Y285-L306 HydrophobicContact CE2-CG 4.13Å; V286-L306 PolarHBondContact O-N 3.34Å; W287-L306 WeakPolarHBondContact CA-O 3.36Å; L304-L306 HydrophobicContact CD1-CD1 4.15Å; L304-L306 HydrophobicContact CD1-CD2 4.02Å; L304-L306 HydrophobicContact CD1-CG 3.91Å; L304-L306 HydrophobicContact CD2-CD1 4.44Å; L304-L306 HydrophobicContact CG-CD1 4.29Å; L304-L306 HydrophobicContact CG-CG 4.15Å
307	F	98.8	Very high	98.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.			trans	-82.9	-18.5	-165.1	-57.9	-65.7	0	0	0	114.6	M237 G238 R241 V286 W287 L292 M312 P324 M329	M237-F307 HydrophobicContact CB-CE2 4.02Å; M237-F307 HydrophobicContact CG-CE2 3.95Å; M237-F307 HydrophobicContact CG-CZ 4.28Å; M237-F307 HydrophobicContact SD-CE2 4Å; M237-F307 HydrophobicContact SD-CZ 3.97Å; G238-F307 WeakPolarHBondContact O-CD2 3.34Å; G238-F307 PolarHBondContact O-N 2.97Å; R241-F307 PolarHBondContact NH1-O 2.58Å; V286-F307 HydrophobicContact CG2-CE1 3.95Å; V286-F307 HydrophobicContact CG2-CZ 4.02Å; W287-F307 WeakPolarHBondContact O-CA 3.47Å; L292-F307 HydrophobicContact CB-CE1 4.32Å; L292-F307 HydrophobicContact CB-CZ 4.45Å; L292-F307 HydrophobicContact CD1-CZ 4.35Å; L292-F307 HydrophobicContact CD2-CE1 4.36Å; L292-F307 HydrophobicContact CD2-CZ 3.91Å; L292-F307 HydrophobicContact CG-CZ 4.46Å; F307-M312 HydrophobicContact CB-CE 3.89Å; F307-M312 HydrophobicContact CB-CG 4.49Å; F307-M312 HydrophobicContact CB-SD 4.21Å; F307-M312 HydrophobicContact CD2-CE 4.18Å; F307-M312 HydrophobicContact CD2-SD 4.18Å; F307-M312 HydrophobicContact CG-CE 4.27Å; F307-P324 HydrophobicContact CD1-CG 3.75Å; F307-P324 HydrophobicContact CD2-CG 3.81Å; F307-P324 HydrophobicContact CE1-CG 3.78Å; F307-P324 HydrophobicContact CE2-CG 3.83Å; F307-P324 HydrophobicContact CG-CG 3.78Å; F307-P324 HydrophobicContact CZ-CG 3.82Å; F307-M329 HydrophobicContact CD2-SD 3.68Å; F307-M329 HydrophobicContact CE2-CG 4.1Å; F307-M329 HydrophobicContact CE2-SD 3.52Å; F307-M329 VanDerWaalsContact CE2-SD 3.52Å
308	E	98.8	Very high	98.3	Very high	14 Å²	14	31.2 Å²	31.2	7%	0.065	15%	0.154	C	C	.	.	S	Bend	trans	-145.9	161.3	-179.4	-92.9	-95.8	176.6	0	0	112.3	G239 G240 R241 Y254 M312	G239-E308 CarbonylContact C-O 3.59Å; G240-E308 PolarHBondContact N-O 2.91Å; R241-E308 PolarHBondContact N-O 3.34Å; Y254-E308 PolarHBondContact OH-OE1 2.71Å; E308-M312 HydrophobicContact CB-CG 4.42Å
309	P	98.6	Very high	98.3	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.139	C	C	.	.	S	Bend	trans	-67.4	-37.8	176.7	-18.5	34.4	0	0	0	113	G240 R241 K242 D251 Y254 H260	G240-P309 CarbonylContact C-O 3.35Å; G240-P309 VanDerWaalsContact C-O 3.28Å; G240-P309 WeakPolarHBondContact CA-O 3.31Å; R241-P309 PolarHBondContact N-O 2.87Å; K242-P309 HydrophobicContact CB-CB 4.11Å; K242-P309 WeakPolarHBondContact CB-O 3.5Å; K242-P309 PolarHBondContact N-O 2.93Å; D251-P309 HydrophobicContact CB-CG 4.33Å; Y254-P309 HydrophobicContact CD2-CG 3.73Å; Y254-P309 HydrophobicContact CE2-CG 4.16Å; H260-P309 HydrophobicContact CB-CB 4Å; H260-P309 HydrophobicContact CB-CG 3.78Å
310	L	98.3	Very high	98.2	Very high	55 Å²	55	26.4 Å²	26.4	29%	0.288	14%	0.141	S	C	.	.	S	Bend	trans	-116.2	-134.8	175.6	-65.6	176.1	0	0	0	108.5	G239 G240 K242 F243	G239-L310 CarbonylContact C-O 3.54Å; G239-L310 WeakPolarHBondContact CA-O 3.24Å; G240-L310 PolarHBondContact N-O 2.83Å; K242-L310 HydrophobicContact CD-CD2 4.01Å; K242-L310 HydrophobicContact CD-CG 4.44Å; F243-L310 HydrophobicContact CE2-CD2 3.66Å; F243-L310 HydrophobicContact CZ-CD2 3.52Å
311	D	98.7	Very high	98	Very high	21 Å²	21	32.2 Å²	32.2	11%	0.112	17%	0.172	C	C	.	.	S	Bend	trans	-77.2	148.2	174.9	-42.9	-70.1	0	0	0	110.1	R186	R186-D311 WeakPolarHBondContact CB-OD1 3.46Å; R186-D311 WeakPolarHBondContact CG-OD1 3.33Å; R186-D311 IonicContact CZ-OD1 3.41Å; R186-D311 IonicContact CZ-OD2 3.81Å; R186-D311 PolarHBondContact N-OD1 3.26Å; R186-D311 IonicContact NE-OD1 3.71Å; R186-D311 PolarHBondContact NE-OD1 2.93Å; R186-D311 IonicContact NE-OD2 3.35Å; R186-D311 PolarHBondContact NE-OD2 2.96Å; R186-D311 IonicContact NH2-OD1 3.79Å; R186-D311 IonicContact NH2-OD2 2.76Å; R186-D311 PolarHBondContact NH2-OD2 2.81Å
312	M	98.8	Very high	97.9	Very high	3 Å²	3	31 Å²	31	2%	0.015	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-67.7	156.9	-176.3	-61.4	176.6	63.6	0	0	111.6	T184 F307 E308 P324 M329 R352	T184-M312 WeakPolarHBondContact O-CB 3.5Å; T184-M312 PolarHBondContact O-N 3.3Å; F307-M312 HydrophobicContact CB-CE 3.89Å; F307-M312 HydrophobicContact CB-CG 4.49Å; F307-M312 HydrophobicContact CB-SD 4.21Å; F307-M312 HydrophobicContact CD2-CE 4.18Å; F307-M312 HydrophobicContact CD2-SD 4.18Å; F307-M312 HydrophobicContact CG-CE 4.27Å; E308-M312 HydrophobicContact CB-CG 4.42Å; M312-P324 HydrophobicContact CE-CG 4.28Å; M312-P324 WeakPolarHBondContact CE-O 3.28Å; M312-M329 HydrophobicContact CE-CE 4.02Å; M312-M329 HydrophobicContact CE-SD 4.26Å; M312-M329 HydrophobicContact SD-CE 3.73Å; M312-M329 HydrophobicContact SD-SD 4.06Å; M312-R352 WeakPolarHBondContact O-CD 3.34Å; M312-R352 PolarHBondContact O-NH1 2.94Å
313	P	98.5	Very high	97.9	Very high	26 Å²	26	30.1 Å²	30.1	17%	0.169	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-51.8	147.8	167.8	-29.2	33.4	0	0	0	113.1	D317 R318	P313-D317 HydrophobicContact CB-CB 4.46Å; P313-R318 HydrophobicContact CB-CB 4.16Å
314	Y	98.8	Very high	97.9	Very high	10 Å²	10	30.1 Å²	30.1	4%	0.039	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-57.2	147.5	162.9	-62.8	-68.9	0	0	0	110.2	L316 D317 R318 R352 H355 G356 E359 Q364 E368	Y314-L316 PolarHBondContact O-N 2.9Å; Y314-D317 CarbonylContact O-C 3.58Å; Y314-D317 WeakPolarHBondContact O-CA 3.41Å; Y314-D317 PolarHBondContact O-N 3.27Å; Y314-R318 WeakPolarHBondContact O-CB 3.31Å; Y314-R318 PolarHBondContact O-N 3.21Å; Y314-R352 HydrophobicContact CD1-CB 3.93Å; Y314-R352 HydrophobicContact CE1-CB 3.85Å; Y314-R352 WeakPolarHBondContact CE1-O 3.25Å; Y314-R352 VanDerWaalsContact CE2-NH2 3.33Å; Y314-R352 PolarHBondContact OH-NH2 2.9Å; Y314-H355 HydrophobicContact CE1-CB 4.24Å; Y314-H355 VanDerWaalsContact OH-CB 3.32Å; Y314-H355 WeakPolarHBondContact OH-CB 3.32Å; Y314-H355 PolarHBondContact OH-O 3.33Å; Y314-G356 PolarHBondContact OH-N 2.86Å; Y314-E359 PolarHBondContact OH-OE1 3.47Å; Y314-Q364 HydrophobicContact CD1-CB 3.82Å; Y314-Q364 HydrophobicContact CD1-CG 4.48Å; Y314-Q364 HydrophobicContact CD2-CB 4.21Å; Y314-Q364 HydrophobicContact CD2-CG 3.98Å; Y314-Q364 HydrophobicContact CE1-CB 3.89Å; Y314-Q364 HydrophobicContact CE2-CB 4.3Å; Y314-Q364 HydrophobicContact CE2-CG 4.12Å; Y314-Q364 HydrophobicContact CG-CB 3.99Å; Y314-Q364 HydrophobicContact CG-CG 4.18Å; Y314-E368 WeakPolarHBondContact CA-OE1 3.4Å; Y314-E368 HydrophobicContact CD1-CG 3.95Å
315	D	98.3	Very high	97.9	Very high	30 Å²	30	30.5 Å²	30.5	16%	0.16	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-27.7	-178.7	-166.5	56.5	0	0	0	113.6	R318 E368 E371 R374	D315-R318 IonicContact OD1-CZ 3.64Å; D315-R318 IonicContact OD1-NE 3.45Å; D315-R318 PolarHBondContact OD1-NE 2.75Å; D315-R318 IonicContact OD1-NH2 3.49Å; D315-R318 PolarHBondContact OD1-NH2 3.25Å; D315-E368 PolarHBondContact N-OE1 3.15Å; D315-E371 HydrophobicContact CB-CB 4.47Å; D315-R374 IonicContact OD2-NH1 3.42Å
316	L	97.6	Very high	97.9	Very high	51 Å²	51	30.7 Å²	30.7	27%	0.267	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-13.6	173.5	-74.9	-179.3	0	0	0	115.4	Y314 K363 H367 K456	Y314-L316 PolarHBondContact O-N 2.9Å; L316-K363 HydrophobicContact CD1-CG 3.99Å; L316-K363 WeakPolarHBondContact CD1-O 3.47Å; L316-H367 HydrophobicContact CD1-CB 3.99Å; L316-H367 HydrophobicContact CG-CB 3.88Å; L316-K456 HydrophobicContact CB-CD 4.2Å; L316-K456 HydrophobicContact CD1-CB 3.97Å; L316-K456 PolarHBondContact O-NZ 3.31Å
317	D	98	Very high	97.9	Very high	70 Å²	70	31.8 Å²	31.8	37%	0.374	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-14.8	178.9	-72.7	-54.9	0	0	0	112.7	P313 Y314 Q364 K456	P313-D317 HydrophobicContact CB-CB 4.46Å; Y314-D317 CarbonylContact O-C 3.58Å; Y314-D317 WeakPolarHBondContact O-CA 3.41Å; Y314-D317 PolarHBondContact O-N 3.27Å; D317-Q364 PolarHBondContact OD2-NE2 3.08Å; D317-K456 VanDerWaalsContact OD1-CE 3.22Å; D317-K456 WeakPolarHBondContact OD1-CE 3.09Å; D317-K456 IonicContact OD1-NZ 2.67Å; D317-K456 PolarHBondContact OD1-NZ 3.04Å
318	R	96.9	Very high	97.9	Very high	47 Å²	47	33.3 Å²	33.3	18%	0.177	18%	0.182	C	C	.	.			trans	-61.2	132.1	-173.1	-173.2	172.3	60.6	85.7	2.8	114	P313 Y314 D315 S320 D323 S325 E328	P313-R318 HydrophobicContact CB-CB 4.16Å; Y314-R318 WeakPolarHBondContact O-CB 3.31Å; Y314-R318 PolarHBondContact O-N 3.21Å; D315-R318 IonicContact OD1-CZ 3.64Å; D315-R318 IonicContact OD1-NE 3.45Å; D315-R318 PolarHBondContact OD1-NE 2.75Å; D315-R318 IonicContact OD1-NH2 3.49Å; D315-R318 PolarHBondContact OD1-NH2 3.25Å; R318-S320 PolarHBondContact O-N 2.73Å; R318-S320 VanDerWaalsContact O-N 3.08Å; R318-D323 HydrophobicContact CG-CB 3.25Å; R318-D323 PolarHBondContact NH1-O 3.01Å; R318-S325 VanDerWaalsContact CZ-CB 3.44Å; R318-S325 VanDerWaalsContact NH2-CB 3.34Å; R318-E328 IonicContact NH1-OE2 2.86Å
319	N	96.9	Very high	97.9	Very high	72 Å²	72	32.6 Å²	32.6	39%	0.385	18%	0.178	S	C	.	.			trans	-78.6	95.5	173	177.7	9.3	0	0	0	109.1	N321 T322 D323	N319-N321 PolarHBondContact O-N 3.34Å; N319-N321 PolarHBondContact OD1-N 3.32Å; N319-N321 PolarHBondContact OD1-ND2 3.14Å; N319-N321 VanDerWaalsContact OD1-ND2 3.08Å; N319-T322 WeakPolarHBondContact CB-OG1 3.18Å; N319-T322 PolarHBondContact ND2-OG1 3.09Å; N319-T322 PolarHBondContact O-N 3.19Å; N319-D323 WeakPolarHBondContact CB-OD2 3.33Å; N319-D323 PolarHBondContact N-OD2 3.47Å; N319-D323 WeakPolarHBondContact O-CB 3.31Å; N319-D323 PolarHBondContact O-N 2.85Å
320	S	94.7	Very high	97.9	Very high	69 Å²	69	32.6 Å²	32.6	48%	0.483	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-5.6	-174.9	63.8	0	0	0	0	115.8	K289 R318	K289-S320 VanDerWaalsContact CD-O 3.29Å; K289-S320 WeakPolarHBondContact CD-O 3.26Å; K289-S320 VanDerWaalsContact CE-O 3.24Å; K289-S320 WeakPolarHBondContact CE-O 3.28Å; K289-S320 PolarHBondContact NZ-O 2.84Å; R318-S320 PolarHBondContact O-N 2.73Å; R318-S320 VanDerWaalsContact O-N 3.08Å
321	N	94.5	Very high	97.9	Very high	125 Å²	125	33.1 Å²	33.1	67%	0.668	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-44.9	170.9	-52.7	-73.6	0	0	0	113.4	N319	N319-N321 PolarHBondContact O-N 3.34Å; N319-N321 PolarHBondContact OD1-N 3.32Å; N319-N321 PolarHBondContact OD1-ND2 3.14Å; N319-N321 VanDerWaalsContact OD1-ND2 3.08Å
322	T	95.9	Very high	98	Very high	37 Å²	37	32.8 Å²	32.8	23%	0.227	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-33.7	-179.2	56	0	0	0	0	112.7	E253 N288 K289 N319	E253-T322 VanDerWaalsContact OE1-CB 3.25Å; E253-T322 WeakPolarHBondContact OE1-CB 3.48Å; E253-T322 PolarHBondContact OE1-OG1 3.18Å; N288-T322 CarbonylContact C-O 3.51Å; N288-T322 WeakPolarHBondContact CA-O 3.33Å; K289-T322 WeakPolarHBondContact CB-O 3.48Å; K289-T322 PolarHBondContact N-O 2.94Å; N319-T322 WeakPolarHBondContact CB-OG1 3.18Å; N319-T322 PolarHBondContact ND2-OG1 3.09Å; N319-T322 PolarHBondContact O-N 3.19Å
323	D	98.2	Very high	98	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.011	18%	0.177	C	C	.	.	S	Bend	trans	-99.4	121.7	-173.1	-62.4	-54.2	0	0	0	112.9	K289 R318 N319	K289-D323 WeakPolarHBondContact CD-O 3.49Å; R318-D323 HydrophobicContact CG-CB 3.25Å; R318-D323 PolarHBondContact NH1-O 3.01Å; N319-D323 WeakPolarHBondContact CB-OD2 3.33Å; N319-D323 PolarHBondContact N-OD2 3.47Å; N319-D323 WeakPolarHBondContact O-CB 3.31Å; N319-D323 PolarHBondContact O-N 2.85Å
324	P	98.7	Very high	98	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.006	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-69.2	144.8	167.4	32.2	-34	0	0	0	110.5	L292 F307 M312 E328 M329	L292-P324 HydrophobicContact CD2-CB 3.68Å; L292-P324 HydrophobicContact CD2-CG 3.92Å; F307-P324 HydrophobicContact CD1-CG 3.75Å; F307-P324 HydrophobicContact CD2-CG 3.81Å; F307-P324 HydrophobicContact CE1-CG 3.78Å; F307-P324 HydrophobicContact CE2-CG 3.83Å; F307-P324 HydrophobicContact CG-CG 3.78Å; F307-P324 HydrophobicContact CZ-CG 3.82Å; M312-P324 HydrophobicContact CE-CG 4.28Å; M312-P324 WeakPolarHBondContact CE-O 3.28Å; P324-E328 WeakPolarHBondContact CA-OE2 3.49Å; P324-E328 HydrophobicContact CB-CB 4.09Å; P324-M329 HydrophobicContact CB-CG 3.88Å; P324-M329 HydrophobicContact CG-CG 3.73Å; P324-M329 HydrophobicContact CG-SD 4.13Å
325	S	98.9	Very high	98	Very high	8 Å²	8	34.4 Å²	34.4	6%	0.056	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-73.8	165.4	167.9	92.3	0	0	0	0	111	R318 T327 E328 M329 E371	R318-S325 VanDerWaalsContact CZ-CB 3.44Å; R318-S325 VanDerWaalsContact NH2-CB 3.34Å; S325-T327 PolarHBondContact O-N 3.47Å; S325-T327 WeakPolarHBondContact OG-CB 3.08Å; S325-T327 PolarHBondContact OG-N 3.28Å; S325-E328 PolarHBondContact N-OE2 3.49Å; S325-E328 PolarHBondContact O-N 3.33Å; S325-E328 PolarHBondContact OG-N 3.38Å; S325-M329 PolarHBondContact O-N 3.24Å; S325-E371 WeakPolarHBondContact CB-OE1 3.34Å; S325-E371 PolarHBondContact OG-OE1 3.41Å
326	L	98.9	Very high	98	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	18%	0.176	C	C	.	.	H	α-helix	trans	-57.1	-40.1	173.5	-174.7	56	0	0	0	111.5	V182 T184 E328 M329 V330 V348 E371 M372 A375	V182-L326 HydrophobicContact CG1-CD1 3.74Å; T184-L326 HydrophobicContact CG2-CB 4.01Å; T184-L326 HydrophobicContact CG2-CD1 4.3Å; T184-L326 HydrophobicContact CG2-CD2 4.38Å; T184-L326 HydrophobicContact CG2-CG 4.46Å; L326-E328 PolarHBondContact O-N 3.3Å; L326-M329 HydrophobicContact CD1-CE 4.05Å; L326-M329 PolarHBondContact O-N 3.25Å; L326-V330 HydrophobicContact CD1-CG2 4.36Å; L326-V330 WeakPolarHBondContact O-CB 3.49Å; L326-V330 VanDerWaalsContact O-CG2 3.3Å; L326-V330 WeakPolarHBondContact O-CG2 3.35Å; L326-V330 PolarHBondContact O-N 3.06Å; L326-V348 HydrophobicContact CD1-CG1 3.84Å; L326-V348 HydrophobicContact CD2-CG1 4.37Å; L326-V348 HydrophobicContact CG-CG1 4.23Å; L326-E371 HydrophobicContact CB-CG 4.18Å; L326-M372 HydrophobicContact CD2-CB 4.11Å; L326-M372 HydrophobicContact CD2-CG 4.31Å; L326-A375 HydrophobicContact CG-CB 4.21Å
327	T	98.9	Very high	98.1	Very high	24 Å²	24	30.8 Å²	30.8	15%	0.147	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-44.3	172.2	-57.7	0	0	0	0	112.4	S325 V330 E331 E371 R374 A375 L378	S325-T327 PolarHBondContact O-N 3.47Å; S325-T327 WeakPolarHBondContact OG-CB 3.08Å; S325-T327 PolarHBondContact OG-N 3.28Å; T327-V330 PolarHBondContact O-N 3.31Å; T327-E331 PolarHBondContact O-N 2.93Å; T327-E371 WeakPolarHBondContact CB-OE1 3.36Å; T327-E371 PolarHBondContact N-OE1 3.4Å; T327-E371 PolarHBondContact OG1-O 2.64Å; T327-E371 PolarHBondContact OG1-OE1 3.45Å; T327-R374 WeakPolarHBondContact OG1-CB 3.36Å; T327-A375 PolarHBondContact OG1-N 2.78Å; T327-L378 HydrophobicContact CG2-CB 4Å; T327-L378 HydrophobicContact CG2-CD2 3.43Å; T327-L378 VanDerWaalsContact CG2-CD2 3.43Å; T327-L378 HydrophobicContact CG2-CG 4.36Å
328	E	98.9	Very high	98.1	Very high	31 Å²	31	31 Å²	31	15%	0.145	16%	0.162	C	C	.	.	H	α-helix	trans	-67.2	-37	179.3	-64.4	179	118.3	0	0	112.2	K289 K293 R318 P324 S325 L326 V332	K289-E328 WeakPolarHBondContact CE-OE1 3.21Å; K289-E328 WeakPolarHBondContact CE-OE2 3.32Å; K289-E328 IonicContact NZ-OE1 2.78Å; K289-E328 PolarHBondContact NZ-OE1 2.9Å; K289-E328 IonicContact NZ-OE2 3.71Å; K289-E328 PolarHBondContact NZ-OE2 3.04Å; K293-E328 WeakPolarHBondContact CE-OE1 3.49Å; K293-E328 IonicContact NZ-OE1 2.7Å; K293-E328 PolarHBondContact NZ-OE1 3.26Å; R318-E328 IonicContact NH1-OE2 2.86Å; P324-E328 WeakPolarHBondContact CA-OE2 3.49Å; P324-E328 HydrophobicContact CB-CB 4.09Å; S325-E328 PolarHBondContact N-OE2 3.49Å; S325-E328 PolarHBondContact O-N 3.33Å; S325-E328 PolarHBondContact OG-N 3.38Å; L326-E328 PolarHBondContact O-N 3.3Å; E328-V332 PolarHBondContact O-N 3.43Å
329	M	98.9	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-67.8	-45.2	173.6	-65.9	-170.3	-73	0	0	111.9	V182 T183 T184 M237 L292 F307 M312 P324 S325 L326 E331 V332 A333	V182-M329 HydrophobicContact CG1-CB 3.53Å; V182-M329 HydrophobicContact CG1-CE 4.24Å; V182-M329 HydrophobicContact CG1-SD 4.36Å; T183-M329 WeakPolarHBondContact O-CE 3.21Å; T184-M329 HydrophobicContact CG2-CE 4.35Å; M237-M329 HydrophobicContact CB-SD 4.01Å; M237-M329 HydrophobicContact CE-CB 4.04Å; M237-M329 WeakPolarHBondContact CE-O 3.45Å; M237-M329 HydrophobicContact SD-CB 4.19Å; M237-M329 HydrophobicContact SD-CG 4.19Å; L292-M329 HydrophobicContact CD2-CG 4.39Å; F307-M329 HydrophobicContact CD2-SD 3.68Å; F307-M329 HydrophobicContact CE2-CG 4.1Å; F307-M329 HydrophobicContact CE2-SD 3.52Å; F307-M329 VanDerWaalsContact CE2-SD 3.52Å; M312-M329 HydrophobicContact CE-CE 4.02Å; M312-M329 HydrophobicContact CE-SD 4.26Å; M312-M329 HydrophobicContact SD-CE 3.73Å; M312-M329 HydrophobicContact SD-SD 4.06Å; P324-M329 HydrophobicContact CB-CG 3.88Å; P324-M329 HydrophobicContact CG-CG 3.73Å; P324-M329 HydrophobicContact CG-SD 4.13Å; S325-M329 PolarHBondContact O-N 3.24Å; L326-M329 HydrophobicContact CD1-CE 4.05Å; L326-M329 PolarHBondContact O-N 3.25Å; M329-E331 VanDerWaalsContact C-N 3.27Å; M329-E331 PolarHBondContact O-N 2.84Å; M329-V332 PolarHBondContact O-N 2.8Å; M329-A333 WeakPolarHBondContact O-CB 3.49Å; M329-A333 PolarHBondContact O-N 2.85Å
330	V	98.9	Very high	98.2	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-61.6	-35.7	177.6	169.1	0	0	0	0	111.8	V182 L326 T327 A333 I334 V348 A375 A379	V182-V330 HydrophobicContact CG1-CG2 4.14Å; L326-V330 HydrophobicContact CD1-CG2 4.36Å; L326-V330 WeakPolarHBondContact O-CB 3.49Å; L326-V330 VanDerWaalsContact O-CG2 3.3Å; L326-V330 WeakPolarHBondContact O-CG2 3.35Å; L326-V330 PolarHBondContact O-N 3.06Å; T327-V330 PolarHBondContact O-N 3.31Å; V330-A333 PolarHBondContact O-N 3.06Å; V330-I334 HydrophobicContact CG1-CD1 3.67Å; V330-I334 HydrophobicContact CG1-CG1 4.32Å; V330-I334 WeakPolarHBondContact O-CG1 3.21Å; V330-I334 PolarHBondContact O-N 3.43Å; V330-V348 HydrophobicContact CG2-CB 4.28Å; V330-V348 HydrophobicContact CG2-CG1 3.44Å; V330-V348 VanDerWaalsContact CG2-CG1 3.44Å; V330-V348 HydrophobicContact CG2-CG2 3.79Å; V330-A375 HydrophobicContact CB-CB 4.39Å; V330-A375 HydrophobicContact CG2-CB 4.14Å; V330-A379 HydrophobicContact CG1-CB 4.16Å
331	E	98.9	Very high	98.3	Very high	65 Å²	65	31.8 Å²	31.8	30%	0.304	17%	0.17	S	C	.	.	H	α-helix	trans	-58.6	-50.4	175.5	-167.2	179.1	-177.1	0	0	112.2	T327 M329 K335 L378 L382	T327-E331 PolarHBondContact O-N 2.93Å; M329-E331 VanDerWaalsContact C-N 3.27Å; M329-E331 PolarHBondContact O-N 2.84Å; E331-K335 VanDerWaalsContact CD-NZ 3.32Å; E331-K335 HydrophobicContact CG-CD 4.27Å; E331-K335 VanDerWaalsContact O-CG 3.25Å; E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-K335 PolarHBondContact O-N 2.93Å; E331-K335 WeakPolarHBondContact OE1-CE 3.4Å; E331-K335 IonicContact OE1-NZ 2.68Å; E331-K335 PolarHBondContact OE1-NZ 3.2Å; E331-L378 HydrophobicContact CB-CD2 3.73Å; E331-L378 HydrophobicContact CG-CD2 4.03Å; E331-L382 HydrophobicContact CG-CD1 4.19Å
332	V	98.9	Very high	98.5	Very high	15 Å²	15	29.8 Å²	29.8	9%	0.091	16%	0.159	C	C	.	.	H	α-helix	trans	-70.5	-40.8	-179.5	177.3	0	0	0	0	110.9	M237 L292 L303 E328 M329 I334 K335 I336	M237-V332 HydrophobicContact CE-CB 4.33Å; L292-V332 HydrophobicContact CD1-CB 4.11Å; L292-V332 HydrophobicContact CD1-CG1 3.82Å; L292-V332 HydrophobicContact CD1-CG2 4.16Å; L292-V332 HydrophobicContact CG-CG2 4.12Å; L303-V332 HydrophobicContact CD2-CG1 3.89Å; E328-V332 PolarHBondContact O-N 3.43Å; M329-V332 PolarHBondContact O-N 2.8Å; V332-I334 PolarHBondContact O-N 2.93Å; V332-K335 PolarHBondContact O-N 3.29Å; V332-I336 HydrophobicContact CG1-CD1 3.77Å; V332-I336 HydrophobicContact CG1-CG1 4.34Å; V332-I336 WeakPolarHBondContact O-CG1 3.39Å; V332-I336 PolarHBondContact O-N 3.14Å
333	A	98.9	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-57.2	-50.9	177.9	0	0	0	0	0	112.1	V182 V235 M237 M329 V330 K335 I336 L337 L346	V182-A333 HydrophobicContact CG2-CB 3.57Å; V235-A333 HydrophobicContact CG1-CB 3.89Å; M237-A333 HydrophobicContact CE-CB 3.85Å; M329-A333 WeakPolarHBondContact O-CB 3.49Å; M329-A333 PolarHBondContact O-N 2.85Å; V330-A333 PolarHBondContact O-N 3.06Å; A333-K335 PolarHBondContact O-N 3.29Å; A333-I336 PolarHBondContact O-N 3.33Å; A333-L337 WeakPolarHBondContact O-CB 3.21Å; A333-L337 WeakPolarHBondContact O-CG 3.36Å; A333-L337 PolarHBondContact O-N 3.21Å; A333-L346 HydrophobicContact CB-CD1 4.2Å; A333-L346 HydrophobicContact CB-CD2 4.43Å
334	I	98.9	Very high	98.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.6	-43.6	-179.8	-68.9	173.5	0	0	0	110.8	I73 V330 V332 I336 L337 Q338 F344 L346 A379 L382 T383	I73-I334 HydrophobicContact CD1-CD1 4.02Å; V330-I334 HydrophobicContact CG1-CD1 3.67Å; V330-I334 HydrophobicContact CG1-CG1 4.32Å; V330-I334 WeakPolarHBondContact O-CG1 3.21Å; V330-I334 PolarHBondContact O-N 3.43Å; V332-I334 PolarHBondContact O-N 2.93Å; I334-I336 VanDerWaalsContact C-N 3.33Å; I334-I336 PolarHBondContact O-N 3.35Å; I334-L337 PolarHBondContact O-N 3.44Å; I334-Q338 HydrophobicContact CG2-CG 4.05Å; I334-Q338 WeakPolarHBondContact O-CB 3.35Å; I334-Q338 WeakPolarHBondContact O-CG 3.39Å; I334-Q338 PolarHBondContact O-N 3.34Å; I334-F344 HydrophobicContact CG1-CZ 4.46Å; I334-F344 HydrophobicContact CG2-CZ 4.24Å; I334-L346 HydrophobicContact CD1-CD2 4.21Å; I334-L346 HydrophobicContact CG1-CD2 3.61Å; I334-A379 HydrophobicContact CD1-CB 3.42Å; I334-A379 VanDerWaalsContact CD1-CB 3.42Å; I334-L382 HydrophobicContact CB-CD1 4.21Å; I334-L382 HydrophobicContact CD1-CD1 4.32Å; I334-L382 HydrophobicContact CG2-CB 3.85Å; I334-L382 HydrophobicContact CG2-CD1 4.25Å; I334-T383 HydrophobicContact CG2-CG2 4.02Å
335	K	98.8	Very high	98.7	Very high	72 Å²	72	27.9 Å²	27.9	31%	0.313	15%	0.148	S	C	.	.	H	α-helix	trans	-62.6	-35.8	179.8	-70.8	173	-175.8	175.1	0	113.3	P297 E331 V332 A333	P297-K335 HydrophobicContact CB-CB 3.49Å; P297-K335 VanDerWaalsContact CB-CB 3.49Å; P297-K335 HydrophobicContact CB-CD 4.48Å; P297-K335 HydrophobicContact CG-CB 4.01Å; P297-K335 HydrophobicContact CG-CD 4.13Å; E331-K335 VanDerWaalsContact CD-NZ 3.32Å; E331-K335 HydrophobicContact CG-CD 4.27Å; E331-K335 VanDerWaalsContact O-CG 3.25Å; E331-K335 WeakPolarHBondContact O-CG 3.47Å; E331-K335 PolarHBondContact O-N 2.93Å; E331-K335 WeakPolarHBondContact OE1-CE 3.4Å; E331-K335 IonicContact OE1-NZ 2.68Å; E331-K335 PolarHBondContact OE1-NZ 3.2Å; V332-K335 PolarHBondContact O-N 3.29Å; A333-K335 PolarHBondContact O-N 3.29Å
336	I	98.8	Very high	98.7	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-70.2	-50.5	173.3	-68.5	173.5	0	0	0	110.4	V235 P297 V300 L303 V332 A333 I334 Q338 N339	V235-I336 HydrophobicContact CG2-CB 3.96Å; V235-I336 HydrophobicContact CG2-CD1 4.25Å; V235-I336 HydrophobicContact CG2-CG2 3.69Å; P297-I336 HydrophobicContact CB-CG1 3.96Å; V300-I336 HydrophobicContact CB-CD1 4.04Å; V300-I336 HydrophobicContact CB-CG1 4.17Å; V300-I336 HydrophobicContact CG1-CD1 3.76Å; V300-I336 HydrophobicContact CG1-CG1 4.35Å; L303-I336 HydrophobicContact CB-CD1 3.91Å; L303-I336 HydrophobicContact CD2-CD1 3.6Å; L303-I336 HydrophobicContact CG-CD1 4.39Å; V332-I336 HydrophobicContact CG1-CD1 3.77Å; V332-I336 HydrophobicContact CG1-CG1 4.34Å; V332-I336 WeakPolarHBondContact O-CG1 3.39Å; V332-I336 PolarHBondContact O-N 3.14Å; A333-I336 PolarHBondContact O-N 3.33Å; I334-I336 VanDerWaalsContact C-N 3.33Å; I334-I336 PolarHBondContact O-N 3.35Å; I336-Q338 VanDerWaalsContact C-N 3.26Å; I336-Q338 PolarHBondContact O-N 2.97Å; I336-N339 WeakPolarHBondContact O-CB 3.4Å; I336-N339 PolarHBondContact O-N 2.99Å; I336-N339 PolarHBondContact O-ND2 3.02Å
337	L	98.8	Very high	98.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-27.5	-173.9	-68.4	173	0	0	0	113.2	N234 V235 A333 I334 N339 N340 F344 L346	N234-L337 HydrophobicContact CB-CD2 3.84Å; V235-L337 HydrophobicContact CG2-CD2 4.05Å; V235-L337 HydrophobicContact CG2-CG 3.99Å; A333-L337 WeakPolarHBondContact O-CB 3.21Å; A333-L337 WeakPolarHBondContact O-CG 3.36Å; A333-L337 PolarHBondContact O-N 3.21Å; I334-L337 PolarHBondContact O-N 3.44Å; L337-N339 VanDerWaalsContact C-N 3.26Å; L337-N339 PolarHBondContact O-N 3.35Å; L337-N340 PolarHBondContact O-N 2.77Å; L337-F344 HydrophobicContact CB-CB 3.71Å; L337-F344 HydrophobicContact CB-CD1 4.02Å; L337-F344 HydrophobicContact CB-CD2 3.96Å; L337-F344 HydrophobicContact CB-CG 3.65Å; L337-F344 HydrophobicContact CD1-CB 4.44Å; L337-F344 HydrophobicContact CD1-CD2 3.88Å; L337-F344 HydrophobicContact CD1-CE2 4.45Å; L337-F344 HydrophobicContact CD1-CG 4.35Å; L337-F344 HydrophobicContact CD2-CB 4.42Å; L337-F344 HydrophobicContact CG-CB 4.41Å; L337-L346 HydrophobicContact CD1-CB 4Å; L337-L346 HydrophobicContact CD1-CD1 3.94Å; L337-L346 HydrophobicContact CD1-CD2 4.44Å; L337-L346 HydrophobicContact CD1-CG 4.34Å
338	Q	98.2	Very high	98.7	Very high	74 Å²	74	26.2 Å²	26.2	35%	0.346	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.8	176.1	-81.3	178.5	-21.8	0	0	115	I334 I336 N340 F344 L382	I334-Q338 HydrophobicContact CG2-CG 4.05Å; I334-Q338 WeakPolarHBondContact O-CB 3.35Å; I334-Q338 WeakPolarHBondContact O-CG 3.39Å; I334-Q338 PolarHBondContact O-N 3.34Å; I336-Q338 VanDerWaalsContact C-N 3.26Å; I336-Q338 PolarHBondContact O-N 2.97Å; Q338-N340 PolarHBondContact O-N 2.55Å; Q338-N340 VanDerWaalsContact O-N 3.15Å; Q338-F344 HydrophobicContact CG-CD1 4.39Å; Q338-F344 HydrophobicContact CG-CE1 3.76Å; Q338-L382 PolarHBondContact NE2-O 2.85Å
339	N	97.7	Very high	98.7	Very high	74 Å²	74	24.7 Å²	24.7	40%	0.396	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.7	176.5	-64.1	-30.3	0	0	0	112.5	P297 I336 L337	P297-N339 PolarHBondContact O-ND2 2.95Å; I336-N339 WeakPolarHBondContact O-CB 3.4Å; I336-N339 PolarHBondContact O-N 2.99Å; I336-N339 PolarHBondContact O-ND2 3.02Å; L337-N339 VanDerWaalsContact C-N 3.26Å; L337-N339 PolarHBondContact O-N 3.35Å
340	N	98.4	Very high	98.7	Very high	27 Å²	27	24.7 Å²	24.7	14%	0.144	13%	0.13	C	C	.	.			trans	-86	120.1	-179.9	-173.6	-23.2	0	0	0	112.3	K176 S178 L337 Q338 N342 G343	K176-N340 PolarHBondContact O-ND2 3.4Å; S178-N340 PolarHBondContact N-ND2 2.91Å; S178-N340 WeakPolarHBondContact OG-CB 3.17Å; S178-N340 PolarHBondContact OG-ND2 2.75Å; L337-N340 PolarHBondContact O-N 2.77Å; Q338-N340 PolarHBondContact O-N 2.55Å; Q338-N340 VanDerWaalsContact O-N 3.15Å; N340-N342 PolarHBondContact O-N 3.45Å; N340-N342 VanDerWaalsContact OD1-CB 3.28Å; N340-N342 WeakPolarHBondContact OD1-CB 3.33Å; N340-N342 PolarHBondContact OD1-N 2.99Å; N340-N342 PolarHBondContact OD1-ND2 3.41Å; N340-G343 PolarHBondContact O-N 3.36Å
341	P	97.9	Very high	98.7	Very high	104 Å²	104	24.7 Å²	24.7	68%	0.675	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-25.6	-179.6	26.2	-34.7	0	0	0	113.7	K70 G343	K70-P341 WeakPolarHBondContact CE-O 3.12Å; K70-P341 PolarHBondContact NZ-O 2.95Å; P341-G343 PolarHBondContact O-N 2.75Å
342	N	98.1	Very high	98.7	Very high	83 Å²	83	23.1 Å²	23.1	44%	0.444	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-9.7	175.1	-58	-44.8	0	0	0	113.2	K176 K177 N340	K176-N342 PolarHBondContact O-ND2 3.08Å; K177-N342 PolarHBondContact NZ-O 3.24Å; N340-N342 PolarHBondContact O-N 3.45Å; N340-N342 VanDerWaalsContact OD1-CB 3.28Å; N340-N342 WeakPolarHBondContact OD1-CB 3.33Å; N340-N342 PolarHBondContact OD1-N 2.99Å; N340-N342 PolarHBondContact OD1-ND2 3.41Å
343	G	98.7	Very high	98.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.117	C	C	.	.			trans	82.5	-168	-173.4	0	0	0	0	0	113.3	N71 K177 S178 N340 P341	N71-G343 WeakPolarHBondContact OD1-CA 3.28Å; K177-G343 VanDerWaalsContact CA-O 3.24Å; K177-G343 WeakPolarHBondContact CA-O 3.33Å; K177-G343 VanDerWaalsContact CB-O 3.28Å; K177-G343 WeakPolarHBondContact CB-O 3.27Å; S178-G343 PolarHBondContact N-O 3.04Å; N340-G343 PolarHBondContact O-N 3.36Å; P341-G343 PolarHBondContact O-N 2.75Å
344	F	98.9	Very high	98.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	165.5	-172	64.3	-88.8	0	0	0	114.9	N71 L72 I73 S178 I334 L337 Q338 L346 T383	N71-F344 CarbonylContact C-O 3.59Å; N71-F344 WeakPolarHBondContact CA-O 3.26Å; N71-F344 HydrophobicContact CB-CD1 3.89Å; N71-F344 HydrophobicContact CB-CE1 3.65Å; N71-F344 HydrophobicContact CB-CE2 4.39Å; N71-F344 HydrophobicContact CB-CG 4.34Å; N71-F344 HydrophobicContact CB-CZ 3.93Å; N71-F344 WeakPolarHBondContact OD1-CD1 3.45Å; N71-F344 PolarHBondContact OD1-N 3.36Å; L72-F344 PolarHBondContact N-O 3.3Å; I73-F344 HydrophobicContact CD1-CE2 4.05Å; I73-F344 HydrophobicContact CD1-CZ 4.21Å; I73-F344 HydrophobicContact CG1-CE2 3.87Å; I73-F344 HydrophobicContact CG1-CZ 4.39Å; S178-F344 CarbonylContact O-C 3.53Å; S178-F344 WeakPolarHBondContact O-CA 3.39Å; S178-F344 VanDerWaalsContact O-CB 3.31Å; S178-F344 WeakPolarHBondContact O-CB 3.42Å; I334-F344 HydrophobicContact CG1-CZ 4.46Å; I334-F344 HydrophobicContact CG2-CZ 4.24Å; L337-F344 HydrophobicContact CB-CB 3.71Å; L337-F344 HydrophobicContact CB-CD1 4.02Å; L337-F344 HydrophobicContact CB-CD2 3.96Å; L337-F344 HydrophobicContact CB-CG 3.65Å; L337-F344 HydrophobicContact CD1-CB 4.44Å; L337-F344 HydrophobicContact CD1-CD2 3.88Å; L337-F344 HydrophobicContact CD1-CE2 4.45Å; L337-F344 HydrophobicContact CD1-CG 4.35Å; L337-F344 HydrophobicContact CD2-CB 4.42Å; L337-F344 HydrophobicContact CG-CB 4.41Å; Q338-F344 HydrophobicContact CG-CD1 4.39Å; Q338-F344 HydrophobicContact CG-CE1 3.76Å; F344-L346 HydrophobicContact CD2-CB 3.92Å; F344-L346 HydrophobicContact CE2-CB 3.92Å; F344-L346 HydrophobicContact CE2-CD2 4.46Å; F344-T383 HydrophobicContact CZ-CG2 4.11Å
345	Y	98.9	Very high	98.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	135.2	157.8	174.2	-87.4	0	0	0	109	L72 L136 I168 L169 A172 S178 V179 G180 L347 M501	L72-Y345 HydrophobicContact CB-CD2 3.69Å; L72-Y345 HydrophobicContact CB-CE2 4.46Å; L72-Y345 HydrophobicContact CB-CG 4.48Å; L72-Y345 HydrophobicContact CD1-CD2 3.93Å; L72-Y345 HydrophobicContact CG-CD2 4.5Å; L72-Y345 CarbonylContact O-C 3.59Å; L72-Y345 WeakPolarHBondContact O-CA 3.47Å; L136-Y345 WeakPolarHBondContact CD2-OH 3.31Å; I168-Y345 HydrophobicContact CB-CE2 4.44Å; I168-Y345 HydrophobicContact CD1-CD2 4.33Å; I168-Y345 HydrophobicContact CD1-CE2 4.09Å; I168-Y345 HydrophobicContact CG1-CD2 4.15Å; I168-Y345 HydrophobicContact CG1-CE2 4.11Å; I168-Y345 HydrophobicContact CG2-CD2 4.26Å; I168-Y345 HydrophobicContact CG2-CE1 4.33Å; I168-Y345 HydrophobicContact CG2-CE2 3.53Å; L169-Y345 HydrophobicContact CB-CD1 4Å; L169-Y345 HydrophobicContact CB-CE1 4.03Å; L169-Y345 HydrophobicContact CD1-CD1 4.19Å; L169-Y345 HydrophobicContact CD1-CE1 4.21Å; L169-Y345 HydrophobicContact CG-CD1 4.07Å; L169-Y345 HydrophobicContact CG-CE1 4.37Å; A172-Y345 HydrophobicContact CB-CG 4.39Å; S178-Y345 PolarHBondContact O-N 2.78Å; V179-Y345 CarbonylContact C-O 3.56Å; V179-Y345 VanDerWaalsContact CA-O 3.3Å; V179-Y345 WeakPolarHBondContact CA-O 3.41Å; G180-Y345 PolarHBondContact N-O 3.37Å; Y345-L347 HydrophobicContact CE1-CB 4.01Å; Y345-M501 HydrophobicContact CE2-CE 4.16Å
346	L	98.9	Very high	98.7	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	124	175.6	174.8	61.4	0	0	0	110	L72 I73 L74 V182 A333 I334 L337 F344 V348	L72-L346 PolarHBondContact O-N 3.38Å; I73-L346 WeakPolarHBondContact CA-O 3.38Å; I73-L346 HydrophobicContact CG1-CB 4.41Å; I73-L346 HydrophobicContact CG2-CB 4.24Å; I73-L346 HydrophobicContact CG2-CD2 4.23Å; I73-L346 HydrophobicContact CG2-CG 4.25Å; L74-L346 PolarHBondContact N-O 3.15Å; V182-L346 HydrophobicContact CG2-CD1 3.88Å; A333-L346 HydrophobicContact CB-CD1 4.2Å; A333-L346 HydrophobicContact CB-CD2 4.43Å; I334-L346 HydrophobicContact CD1-CD2 4.21Å; I334-L346 HydrophobicContact CG1-CD2 3.61Å; L337-L346 HydrophobicContact CD1-CB 4Å; L337-L346 HydrophobicContact CD1-CD1 3.94Å; L337-L346 HydrophobicContact CD1-CD2 4.44Å; L337-L346 HydrophobicContact CD1-CG 4.34Å; F344-L346 HydrophobicContact CD2-CB 3.92Å; F344-L346 HydrophobicContact CE2-CB 3.92Å; F344-L346 HydrophobicContact CE2-CD2 4.46Å; L346-V348 HydrophobicContact CD1-CG2 4.29Å; L346-V348 HydrophobicContact CD2-CG2 3.8Å; L346-V348 HydrophobicContact CG-CG2 3.71Å
347	L	98.9	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129.2	161.9	176.2	59.5	0	0	0	108.7	L74 L76 L136 G180 I181 V182 A195 Y345	L74-L347 HydrophobicContact CB-CD1 4.37Å; L74-L347 HydrophobicContact CD2-CD1 4.22Å; L74-L347 HydrophobicContact CG-CD1 4.29Å; L76-L347 HydrophobicContact CB-CD1 4.32Å; L136-L347 HydrophobicContact CD1-CD2 4.08Å; L136-L347 HydrophobicContact CD2-CD1 4.28Å; L136-L347 HydrophobicContact CD2-CD2 4.25Å; G180-L347 PolarHBondContact O-N 3.1Å; I181-L347 HydrophobicContact CG2-CD2 4.49Å; V182-L347 PolarHBondContact N-O 3.1Å; A195-L347 HydrophobicContact CB-CD2 4.31Å; Y345-L347 HydrophobicContact CE1-CB 4.01Å
348	V	99	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.2	171	-173.5	0	0	0	0	108.6	I73 L74 F75 L76 V182 L326 V330 L346	I73-V348 HydrophobicContact CG2-CG2 4.13Å; L74-V348 PolarHBondContact O-N 3.03Å; F75-V348 CarbonylContact C-O 3.55Å; F75-V348 WeakPolarHBondContact CA-O 3.47Å; F75-V348 HydrophobicContact CD1-CB 3.55Å; F75-V348 HydrophobicContact CD1-CG1 3.73Å; F75-V348 HydrophobicContact CD1-CG2 4.03Å; F75-V348 HydrophobicContact CE1-CB 3.72Å; F75-V348 HydrophobicContact CE1-CG1 3.75Å; F75-V348 HydrophobicContact CE1-CG2 3.72Å; F75-V348 HydrophobicContact CG-CB 4.31Å; F75-V348 HydrophobicContact CZ-CG2 4.18Å; L76-V348 PolarHBondContact N-O 3.45Å; V182-V348 CarbonylContact O-C 3.52Å; V182-V348 VanDerWaalsContact O-CA 3.3Å; V182-V348 WeakPolarHBondContact O-CA 3.33Å; L326-V348 HydrophobicContact CD1-CG1 3.84Å; L326-V348 HydrophobicContact CD2-CG1 4.37Å; L326-V348 HydrophobicContact CG-CG1 4.23Å; V330-V348 HydrophobicContact CG2-CB 4.28Å; V330-V348 HydrophobicContact CG2-CG1 3.44Å; V330-V348 VanDerWaalsContact CG2-CG1 3.44Å; V330-V348 HydrophobicContact CG2-CG2 3.79Å; L346-V348 HydrophobicContact CD1-CG2 4.29Å; L346-V348 HydrophobicContact CD2-CG2 3.8Å; L346-V348 HydrophobicContact CG-CG2 3.71Å
349	E	98.9	Very high	98.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	119.6	-175.6	-178.9	-160.8	152.9	0	0	111.2	L76 V182 T183 T184 T185 H189 T191 P192 G351	L76-E349 CarbonylContact O-C 3.15Å; L76-E349 VanDerWaalsContact O-CA 3.27Å; L76-E349 WeakPolarHBondContact O-CA 3.23Å; V182-E349 PolarHBondContact O-N 3.22Å; T183-E349 WeakPolarHBondContact CA-O 3.21Å; T183-E349 WeakPolarHBondContact CB-OE2 3.46Å; T183-E349 PolarHBondContact OG1-OE1 3.02Å; T183-E349 PolarHBondContact OG1-OE2 3.34Å; T184-E349 PolarHBondContact N-O 3.07Å; T185-E349 VanDerWaalsContact CG2-OE1 3.28Å; T185-E349 WeakPolarHBondContact CG2-OE1 3.19Å; T185-E349 PolarHBondContact OG1-OE1 2.99Å; T185-E349 PolarHBondContact OG1-OE2 3.38Å; H189-E349 IonicContact ND1-OE1 3.83Å; T191-E349 HydrophobicContact CG2-CB 4.19Å; T191-E349 VanDerWaalsContact CG2-CD 3.43Å; T191-E349 HydrophobicContact CG2-CG 3.57Å; P192-E349 WeakPolarHBondContact CD-OE2 3.43Å; E349-G351 PolarHBondContact O-N 3.15Å; E349-G351 VanDerWaalsContact O-N 3.14Å; E349-G351 WeakPolarHBondContact OE1-CA 3.3Å
350	G	98.9	Very high	98.8	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.			trans	-82.6	54.8	166.2	0	0	0	0	0	110.8	L76 R352 I353	L76-G350 PolarHBondContact O-N 3.21Å; G350-R352 PolarHBondContact O-N 3.18Å; G350-R352 VanDerWaalsContact O-N 3.09Å; G350-I353 WeakPolarHBondContact O-CD1 3.44Å; G350-I353 VanDerWaalsContact O-CG1 3.23Å; G350-I353 WeakPolarHBondContact O-CG1 3.41Å; G350-I353 PolarHBondContact O-N 3.12Å
351	G	98.7	Very high	98.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-2.6	-157.5	0	0	0	0	0	116.2	T184 T185 E349	T184-G351 PolarHBondContact OG1-N 3.11Å; T185-G351 WeakPolarHBondContact CG2-O 3.32Å; E349-G351 PolarHBondContact O-N 3.15Å; E349-G351 VanDerWaalsContact O-N 3.14Å; E349-G351 WeakPolarHBondContact OE1-CA 3.3Å
352	R	98.8	Very high	98.8	Very high	32 Å²	32	13.8 Å²	13.8	12%	0.121	7%	0.067	C	C	.	.	H	α-helix	trans	-98.3	3.8	173.6	-63.7	-147.7	64.1	155.7	5.1	114.1	T184 T185 M312 Y314 G350 H355 G356 E359 E368	T184-R352 PolarHBondContact OG1-N 2.98Å; T185-R352 HydrophobicContact CG2-CG 4.41Å; M312-R352 WeakPolarHBondContact O-CD 3.34Å; M312-R352 PolarHBondContact O-NH1 2.94Å; Y314-R352 HydrophobicContact CD1-CB 3.93Å; Y314-R352 HydrophobicContact CE1-CB 3.85Å; Y314-R352 WeakPolarHBondContact CE1-O 3.25Å; Y314-R352 VanDerWaalsContact CE2-NH2 3.33Å; Y314-R352 PolarHBondContact OH-NH2 2.9Å; G350-R352 PolarHBondContact O-N 3.18Å; G350-R352 VanDerWaalsContact O-N 3.09Å; R352-H355 HydrophobicContact CB-CB 4.44Å; R352-H355 PolarHBondContact NE-ND1 2.91Å; R352-G356 PolarHBondContact O-N 3.34Å; R352-E359 IonicContact NH2-OE1 3.89Å; R352-E368 HydrophobicContact CB-CG 3.82Å
353	I	98.9	Very high	98.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.4	-54.1	166.1	-64.1	166.5	0	0	0	108.7	D78 M80 T84 G350 G356 H357 A365 E368 A369 M372	D78-I353 WeakPolarHBondContact O-CB 3.48Å; M80-I353 HydrophobicContact CB-CD1 4.01Å; M80-I353 HydrophobicContact CB-CG2 4.11Å; M80-I353 HydrophobicContact CG-CD1 3.97Å; M80-I353 HydrophobicContact CG-CG2 4.4Å; M80-I353 HydrophobicContact SD-CD1 3.85Å; T84-I353 HydrophobicContact CG2-CG2 3.82Å; G350-I353 WeakPolarHBondContact O-CD1 3.44Å; G350-I353 VanDerWaalsContact O-CG1 3.23Å; G350-I353 WeakPolarHBondContact O-CG1 3.41Å; G350-I353 PolarHBondContact O-N 3.12Å; I353-G356 PolarHBondContact O-N 3.35Å; I353-H357 PolarHBondContact O-CD2 2.94Å; I353-H357 VanDerWaalsContact O-CD2 3.32Å; I353-H357 PolarHBondContact O-N 3.07Å; I353-H357 VanDerWaalsContact O-N 3.14Å; I353-A365 VanDerWaalsContact O-CB 3.31Å; I353-A365 WeakPolarHBondContact O-CB 3.36Å; I353-E368 HydrophobicContact CG1-CB 3.6Å; I353-A369 HydrophobicContact CD1-CB 3.86Å; I353-A369 HydrophobicContact CG1-CB 4.08Å; I353-M372 HydrophobicContact CD1-SD 3.85Å
354	D	98.9	Very high	98.9	Very high	3 Å²	3	12.2 Å²	12.2	2%	0.016	6%	0.056	C	C	.	.	H	α-helix	trans	-49.9	-58.8	171.6	166.4	82.4	0	0	0	112.8	D78 G356 H357 H358 H396 H398 H471	D78-D354 HydrophobicContact CB-CB 4.02Å; D78-D354 WeakPolarHBondContact O-CB 3.35Å; D78-D354 PolarHBondContact O-N 2.84Å; D354-G356 PolarHBondContact O-N 3.41Å; D354-H357 CarbonylContact O-C 3.24Å; D354-H357 WeakPolarHBondContact O-CA 3.12Å; D354-H357 WeakPolarHBondContact O-CB 3.05Å; D354-H357 PolarHBondContact O-N 3Å; D354-H358 PolarHBondContact O-N 2.95Å; D354-H358 IonicContact OD1-CD2 2.67Å; D354-H358 IonicContact OD1-CE1 2.82Å; D354-H358 IonicContact OD1-NE2 3.17Å; D354-H358 IonicContact OD2-CD2 3.02Å; D354-H358 PolarHBondContact OD2-CD2 3.32Å; D354-H358 IonicContact OD2-NE2 3.9Å; D354-H396 IonicContact OD1-CE1 3.34Å; D354-H398 WeakPolarHBondContact CA-NE2 3.38Å; D354-H398 IonicContact OD1-CE1 3.74Å; D354-H398 PolarHBondContact OD1-CE1 2.91Å; D354-H398 IonicContact OD1-NE2 3.85Å; D354-H398 PolarHBondContact OD1-NE2 2.93Å; D354-H471 IonicContact OD1-CD2 3.81Å; D354-H471 IonicContact OD1-NE2 3.47Å
355	H	98.9	Very high	98.9	Very high	27 Å²	27	12.2 Å²	12.2	13%	0.125	6%	0.056	C	C	.	.	H	α-helix	trans	-53.5	-37.1	-179.2	-65.9	170.1	0	0	0	112.2	Y314 R352 E359	Y314-H355 HydrophobicContact CE1-CB 4.24Å; Y314-H355 VanDerWaalsContact OH-CB 3.32Å; Y314-H355 WeakPolarHBondContact OH-CB 3.32Å; Y314-H355 PolarHBondContact OH-O 3.33Å; R352-H355 HydrophobicContact CB-CB 4.44Å; R352-H355 PolarHBondContact NE-ND1 2.91Å; H355-E359 WeakPolarHBondContact O-CB 3.42Å; H355-E359 WeakPolarHBondContact O-CG 3.46Å; H355-E359 PolarHBondContact O-N 3.49Å
356	G	98.9	Very high	98.9	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-67.5	-36	176.1	0	0	0	0	0	113.5	Y314 R352 I353 D354 K361	Y314-G356 PolarHBondContact OH-N 2.86Å; R352-G356 PolarHBondContact O-N 3.34Å; I353-G356 PolarHBondContact O-N 3.35Å; D354-G356 PolarHBondContact O-N 3.41Å; G356-K361 CarbonylContact O-C 3.58Å; G356-K361 VanDerWaalsContact O-C 3.24Å; G356-K361 WeakPolarHBondContact O-CA 3.41Å; G356-K361 PolarHBondContact O-N 3.5Å
357	H	98.9	Very high	98.9	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-73.1	-47.6	174	-72.4	-60.9	0	0	0	112	T84 I353 D354 E359 G360 H398 F400 Y432 E469	T84-H357 WeakPolarHBondContact CG2-NE2 3.45Å; T84-H357 PolarHBondContact OG1-CE1 3.35Å; T84-H357 PolarHBondContact OG1-NE2 3.28Å; I353-H357 PolarHBondContact O-CD2 2.94Å; I353-H357 VanDerWaalsContact O-CD2 3.32Å; I353-H357 PolarHBondContact O-N 3.07Å; I353-H357 VanDerWaalsContact O-N 3.14Å; D354-H357 CarbonylContact O-C 3.24Å; D354-H357 WeakPolarHBondContact O-CA 3.12Å; D354-H357 WeakPolarHBondContact O-CB 3.05Å; D354-H357 PolarHBondContact O-N 3Å; H357-E359 VanDerWaalsContact C-N 3.26Å; H357-E359 PolarHBondContact O-N 2.93Å; H357-G360 WeakPolarHBondContact O-CA 3.37Å; H357-G360 PolarHBondContact O-N 3.4Å; H357-H398 HydrophobicContact CB-CB 4.05Å; H357-H398 WeakPolarHBondContact CB-ND1 3.29Å; H357-H398 AromaticContact CD2-CD2 3.34Å; H357-H398 PolarHBondContact CD2-CD2 2.96Å; H357-H398 AromaticContact CD2-CG 3.87Å; H357-H398 AromaticContact CD2-NE2 3.9Å; H357-H398 AromaticContact CG-CD2 3.62Å; H357-H398 AromaticContact CG-CG 3.69Å; H357-F400 AromaticContact CE1-CD1 3.73Å; H357-F400 AromaticContact CE1-CD2 3.82Å; H357-F400 AromaticContact CE1-CG 3.53Å; H357-F400 AromaticContact ND1-CD2 3.91Å; H357-F400 AromaticContact ND1-CG 3.82Å; H357-Y432 HydrophobicContact CB-CE1 4.16Å; H357-Y432 AromaticContact ND1-CE1 3.64Å; H357-Y432 AromaticContact ND1-CZ 3.72Å; H357-Y432 PolarHBondContact ND1-OH 3.17Å; H357-E469 WeakPolarHBondContact O-CB 3.49Å
358	H	98.9	Very high	98.9	Very high	49 Å²	49	13.5 Å²	13.5	23%	0.227	6%	0.061	C	C	.	.	H	α-helix	trans	-49.9	-43.9	171.9	-88.2	-25.4	0	0	0	112.6	D354 G360 A468 E469 H471	D354-H358 PolarHBondContact O-N 2.95Å; D354-H358 IonicContact OD1-CD2 2.67Å; D354-H358 IonicContact OD1-CE1 2.82Å; D354-H358 IonicContact OD1-NE2 3.17Å; D354-H358 IonicContact OD2-CD2 3.02Å; D354-H358 PolarHBondContact OD2-CD2 3.32Å; D354-H358 IonicContact OD2-NE2 3.9Å; H358-G360 PolarHBondContact O-N 3.02Å; H358-A468 HydrophobicContact CB-CB 4.37Å; H358-A468 CarbonylContact O-C 3.57Å; H358-A468 WeakPolarHBondContact O-CA 3.33Å; H358-E469 PolarHBondContact CE1-O 3.11Å; H358-E469 PolarHBondContact ND1-O 3.08Å; H358-E469 PolarHBondContact O-N 3.24Å; H358-H471 AromaticContact CE1-CD2 3.46Å; H358-H471 PolarHBondContact CE1-CD2 2.98Å; H358-H471 VanDerWaalsContact CE1-CD2 3.46Å; H358-H471 AromaticContact CE1-NE2 3.23Å; H358-H471 PolarHBondContact CE1-NE2 2.85Å; H358-H471 AromaticContact NE2-NE2 3.44Å; H358-H471 PolarHBondContact NE2-NE2 3.44Å
359	E	98.9	Very high	98.9	Very high	60 Å²	60	13.5 Å²	13.5	28%	0.28	6%	0.062	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-3.7	176.5	-72.8	-174.6	-127.4	0	0	113.9	Y314 R352 H355 H357 K361 P436 Q459	Y314-E359 PolarHBondContact OH-OE1 3.47Å; R352-E359 IonicContact NH2-OE1 3.89Å; H355-E359 WeakPolarHBondContact O-CB 3.42Å; H355-E359 WeakPolarHBondContact O-CG 3.46Å; H355-E359 PolarHBondContact O-N 3.49Å; H357-E359 VanDerWaalsContact C-N 3.26Å; H357-E359 PolarHBondContact O-N 2.93Å; E359-K361 HydrophobicContact CB-CB 4.35Å; E359-K361 HydrophobicContact CB-CD 3.86Å; E359-K361 HydrophobicContact CB-CG 3.99Å; E359-K361 PolarHBondContact O-N 3.25Å; E359-K361 WeakPolarHBondContact OE2-CD 2.96Å; E359-K361 WeakPolarHBondContact OE2-CE 3.38Å; E359-K361 IonicContact OE2-NZ 3.42Å; E359-K361 PolarHBondContact OE2-NZ 2.99Å; E359-P436 WeakPolarHBondContact O-CG 3.35Å; E359-Q459 PolarHBondContact O-NE2 3.27Å
360	G	98.7	Very high	98.9	Very high	2 Å²	2	13.7 Å²	13.7	2%	0.021	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.4	6.7	-172.8	0	0	0	0	0	114.1	H357 H358 A362 Y432 Q459 A460	H357-G360 WeakPolarHBondContact O-CA 3.37Å; H357-G360 PolarHBondContact O-N 3.4Å; H358-G360 PolarHBondContact O-N 3.02Å; G360-A362 PolarHBondContact O-N 3.25Å; G360-Y432 WeakPolarHBondContact O-CE2 3.37Å; G360-Q459 WeakPolarHBondContact O-CA 3.18Å; G360-A460 PolarHBondContact O-N 2.9Å
361	K	98.8	Very high	98.9	Very high	30 Å²	30	14 Å²	14	13%	0.13	7%	0.065	C	C	.	.			trans	-98.9	72.3	-169.7	-64.7	174.6	-177.4	177.3	0	111	G356 E359 K363 Q364 A365 N457 Q459	G356-K361 CarbonylContact O-C 3.58Å; G356-K361 VanDerWaalsContact O-C 3.24Å; G356-K361 WeakPolarHBondContact O-CA 3.41Å; G356-K361 PolarHBondContact O-N 3.5Å; E359-K361 HydrophobicContact CB-CB 4.35Å; E359-K361 HydrophobicContact CB-CD 3.86Å; E359-K361 HydrophobicContact CB-CG 3.99Å; E359-K361 PolarHBondContact O-N 3.25Å; E359-K361 WeakPolarHBondContact OE2-CD 2.96Å; E359-K361 WeakPolarHBondContact OE2-CE 3.38Å; E359-K361 IonicContact OE2-NZ 3.42Å; E359-K361 PolarHBondContact OE2-NZ 2.99Å; K361-K363 PolarHBondContact O-N 3.02Å; K361-Q364 HydrophobicContact CB-CB 4.25Å; K361-Q364 HydrophobicContact CB-CG 3.86Å; K361-Q364 HydrophobicContact CD-CG 4.1Å; K361-Q364 WeakPolarHBondContact O-CB 3.34Å; K361-Q364 PolarHBondContact O-N 3.14Å; K361-A365 PolarHBondContact O-N 3.45Å; K361-N457 HydrophobicContact CD-CB 4.38Å; K361-N457 WeakPolarHBondContact CD-OD1 3.36Å; K361-N457 VanDerWaalsContact CE-OD1 3.29Å; K361-N457 WeakPolarHBondContact CE-OD1 3.44Å; K361-N457 PolarHBondContact NZ-OD1 3.29Å; K361-Q459 HydrophobicContact CG-CG 4.14Å
362	A	98.6	Very high	98.9	Very high	4 Å²	4	14 Å²	14	3%	0.033	7%	0.065	C	C	.	.	H	α-helix	trans	-53.5	-28.1	179.9	0	0	0	0	0	113.6	G360 Q364 A365 L366 F400 I430 Y432	G360-A362 PolarHBondContact O-N 3.25Å; A362-Q364 VanDerWaalsContact C-N 3.34Å; A362-Q364 PolarHBondContact O-N 2.93Å; A362-A365 PolarHBondContact O-N 3.29Å; A362-L366 WeakPolarHBondContact O-CB 3.43Å; A362-L366 VanDerWaalsContact O-CG 3.28Å; A362-L366 WeakPolarHBondContact O-CG 3.31Å; A362-L366 PolarHBondContact O-N 3.39Å; A362-F400 HydrophobicContact CB-CD2 4.46Å; A362-F400 HydrophobicContact CB-CE2 3.85Å; A362-I430 HydrophobicContact CB-CD1 3.89Å; A362-I430 HydrophobicContact CB-CG2 3.83Å; A362-Y432 WeakPolarHBondContact CA-OH 3.3Å; A362-Y432 HydrophobicContact CB-CE2 4.37Å; A362-Y432 PolarHBondContact N-OH 2.66Å
363	K	98.8	Very high	98.9	Very high	50 Å²	50	12.5 Å²	12.5	22%	0.217	6%	0.059	C	C	.	.	H	α-helix	trans	-68.1	-27.5	175.6	-171.5	154.5	179.6	172.8	0	114.3	L316 K361 H367 F413 E454	L316-K363 HydrophobicContact CD1-CG 3.99Å; L316-K363 WeakPolarHBondContact CD1-O 3.47Å; K361-K363 PolarHBondContact O-N 3.02Å; K363-H367 PolarHBondContact O-CD2 3.45Å; K363-F413 HydrophobicContact CB-CD1 4.02Å; K363-F413 HydrophobicContact CB-CE1 3.62Å; K363-F413 HydrophobicContact CB-CE2 4.49Å; K363-F413 HydrophobicContact CB-CZ 3.88Å; K363-F413 HydrophobicContact CD-CD1 4.47Å; K363-F413 HydrophobicContact CD-CD2 3.99Å; K363-F413 HydrophobicContact CD-CE1 4.41Å; K363-F413 HydrophobicContact CD-CE2 3.87Å; K363-F413 HydrophobicContact CD-CG 4.28Å; K363-F413 HydrophobicContact CD-CZ 4.1Å; K363-F413 HydrophobicContact CG-CD1 4.46Å; K363-F413 HydrophobicContact CG-CD2 4.48Å; K363-F413 HydrophobicContact CG-CE1 3.98Å; K363-F413 HydrophobicContact CG-CE2 3.95Å; K363-F413 HydrophobicContact CG-CZ 3.69Å; K363-E454 PolarHBondContact NZ-O 2.98Å
364	Q	98.8	Very high	98.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-74.7	-52.7	168.5	-58.2	-70.8	21.8	0	0	110	Y314 D317 K361 A362 L366 H367 E368 N457	Y314-Q364 HydrophobicContact CD1-CB 3.82Å; Y314-Q364 HydrophobicContact CD1-CG 4.48Å; Y314-Q364 HydrophobicContact CD2-CB 4.21Å; Y314-Q364 HydrophobicContact CD2-CG 3.98Å; Y314-Q364 HydrophobicContact CE1-CB 3.89Å; Y314-Q364 HydrophobicContact CE2-CB 4.3Å; Y314-Q364 HydrophobicContact CE2-CG 4.12Å; Y314-Q364 HydrophobicContact CG-CB 3.99Å; Y314-Q364 HydrophobicContact CG-CG 4.18Å; D317-Q364 PolarHBondContact OD2-NE2 3.08Å; K361-Q364 HydrophobicContact CB-CB 4.25Å; K361-Q364 HydrophobicContact CB-CG 3.86Å; K361-Q364 HydrophobicContact CD-CG 4.1Å; K361-Q364 WeakPolarHBondContact O-CB 3.34Å; K361-Q364 PolarHBondContact O-N 3.14Å; A362-Q364 VanDerWaalsContact C-N 3.34Å; A362-Q364 PolarHBondContact O-N 2.93Å; Q364-L366 PolarHBondContact O-N 3.49Å; Q364-H367 PolarHBondContact O-N 3.4Å; Q364-H367 VanDerWaalsContact O-N 3.09Å; Q364-E368 PolarHBondContact O-N 2.85Å; Q364-N457 PolarHBondContact NE2-OD1 2.81Å
365	A	98.9	Very high	98.9	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-55.5	-47.4	-176.3	0	0	0	0	0	113.6	I353 K361 A362 H367 E368 A369	I353-A365 VanDerWaalsContact O-CB 3.31Å; I353-A365 WeakPolarHBondContact O-CB 3.36Å; K361-A365 PolarHBondContact O-N 3.45Å; A362-A365 PolarHBondContact O-N 3.29Å; A365-H367 VanDerWaalsContact C-N 3.34Å; A365-H367 PolarHBondContact O-N 2.94Å; A365-E368 PolarHBondContact O-N 3.05Å; A365-A369 PolarHBondContact O-N 3.09Å
366	L	98.9	Very high	98.9	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-71.7	-27.1	-179.6	-59.7	-177	0	0	0	112.7	T84 A87 A88 L91 A362 Q364 V370 F400 I412 F413 I430	T84-L366 HydrophobicContact CG2-CD2 3.93Å; A87-L366 HydrophobicContact CB-CD1 3.6Å; A87-L366 HydrophobicContact CB-CD2 3.72Å; A87-L366 HydrophobicContact CB-CG 4.33Å; A88-L366 HydrophobicContact CB-CD2 4.3Å; L91-L366 HydrophobicContact CD2-CB 3.55Å; A362-L366 WeakPolarHBondContact O-CB 3.43Å; A362-L366 VanDerWaalsContact O-CG 3.28Å; A362-L366 WeakPolarHBondContact O-CG 3.31Å; A362-L366 PolarHBondContact O-N 3.39Å; Q364-L366 PolarHBondContact O-N 3.49Å; L366-V370 WeakPolarHBondContact O-CG2 3.29Å; L366-V370 PolarHBondContact O-N 3.46Å; L366-F400 HydrophobicContact CD1-CZ 4.43Å; L366-F400 HydrophobicContact CD2-CE1 4.46Å; L366-F400 HydrophobicContact CD2-CZ 4.31Å; L366-I412 HydrophobicContact CD1-CG1 4.18Å; L366-I412 HydrophobicContact CD1-CG2 4.27Å; L366-F413 HydrophobicContact CD1-CE1 3.92Å; L366-F413 HydrophobicContact CD1-CZ 4.35Å; L366-I430 HydrophobicContact CD1-CD1 4.27Å
367	H	98.9	Very high	98.9	Very high	21 Å²	21	16.5 Å²	16.5	10%	0.097	7%	0.074	C	C	.	.	H	α-helix	trans	-73	-38.9	173.6	-92.2	-96.1	0	0	0	112.1	L316 K363 Q364 A365 A369 V370 E371	L316-H367 HydrophobicContact CD1-CB 3.99Å; L316-H367 HydrophobicContact CG-CB 3.88Å; K363-H367 PolarHBondContact O-CD2 3.45Å; Q364-H367 PolarHBondContact O-N 3.4Å; Q364-H367 VanDerWaalsContact O-N 3.09Å; A365-H367 VanDerWaalsContact C-N 3.34Å; A365-H367 PolarHBondContact O-N 2.94Å; H367-A369 VanDerWaalsContact C-N 3.33Å; H367-A369 PolarHBondContact O-N 3.25Å; H367-V370 PolarHBondContact O-N 3.47Å; H367-E371 PolarHBondContact O-N 3.37Å
368	E	98.9	Very high	98.9	Very high	5 Å²	5	17.6 Å²	17.6	2%	0.023	8%	0.08	C	C	.	.	H	α-helix	trans	-59.4	-43.2	169.5	-72.1	-66	117.5	0	0	111.4	T184 Y314 D315 R352 I353 Q364 A365 V370 E371 M372	T184-E368 PolarHBondContact OG1-OE2 3.2Å; Y314-E368 WeakPolarHBondContact CA-OE1 3.4Å; Y314-E368 HydrophobicContact CD1-CG 3.95Å; D315-E368 PolarHBondContact N-OE1 3.15Å; R352-E368 HydrophobicContact CB-CG 3.82Å; I353-E368 HydrophobicContact CG1-CB 3.6Å; Q364-E368 PolarHBondContact O-N 2.85Å; A365-E368 PolarHBondContact O-N 3.05Å; E368-V370 VanDerWaalsContact C-N 3.33Å; E368-V370 PolarHBondContact O-N 3.19Å; E368-E371 PolarHBondContact O-N 3.4Å; E368-M372 WeakPolarHBondContact O-CB 3.46Å; E368-M372 PolarHBondContact O-N 2.83Å
369	A	98.9	Very high	98.9	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.008	7%	0.069	C	C	.	.	H	α-helix	trans	-62.5	-37.6	177.2	0	0	0	0	0	112.7	M80 A88 I353 A365 H367 D373	M80-A369 HydrophobicContact SD-CB 4.4Å; A88-A369 HydrophobicContact CB-CB 3.68Å; I353-A369 HydrophobicContact CD1-CB 3.86Å; I353-A369 HydrophobicContact CG1-CB 4.08Å; A365-A369 PolarHBondContact O-N 3.09Å; H367-A369 VanDerWaalsContact C-N 3.33Å; H367-A369 PolarHBondContact O-N 3.25Å; A369-D373 WeakPolarHBondContact O-CB 3.19Å; A369-D373 PolarHBondContact O-N 3.04Å
370	V	98.9	Very high	98.8	Very high	3 Å²	3	13.9 Å²	13.9	2%	0.018	7%	0.071	C	C	.	.	H	α-helix	trans	-69.4	-36.6	174.1	169.6	0	0	0	0	112.1	A88 L91 K92 L95 L366 H367 E368 D373 R374	A88-V370 HydrophobicContact CB-CG2 4.45Å; L91-V370 HydrophobicContact CB-CG2 4.32Å; L91-V370 HydrophobicContact CD2-CG2 4.03Å; L91-V370 HydrophobicContact CG-CG2 4.17Å; K92-V370 HydrophobicContact CB-CG2 4.14Å; L95-V370 HydrophobicContact CD1-CG1 4.21Å; L366-V370 WeakPolarHBondContact O-CG2 3.29Å; L366-V370 PolarHBondContact O-N 3.46Å; H367-V370 PolarHBondContact O-N 3.47Å; E368-V370 VanDerWaalsContact C-N 3.33Å; E368-V370 PolarHBondContact O-N 3.19Å; V370-D373 PolarHBondContact O-N 3.26Å; V370-R374 WeakPolarHBondContact O-CG 3.41Å; V370-R374 PolarHBondContact O-N 3.49Å; V370-R374 VanDerWaalsContact O-N 3.07Å
371	E	98.9	Very high	98.8	Very high	8 Å²	8	21.9 Å²	21.9	4%	0.037	10%	0.101	C	C	.	.	H	α-helix	trans	-71.7	-35.2	175.5	179.6	54	-153.4	0	0	112.3	D315 S325 L326 T327 H367 E368 R374 A375	D315-E371 HydrophobicContact CB-CB 4.47Å; S325-E371 WeakPolarHBondContact CB-OE1 3.34Å; S325-E371 PolarHBondContact OG-OE1 3.41Å; L326-E371 HydrophobicContact CB-CG 4.18Å; T327-E371 WeakPolarHBondContact CB-OE1 3.36Å; T327-E371 PolarHBondContact N-OE1 3.4Å; T327-E371 PolarHBondContact OG1-O 2.64Å; T327-E371 PolarHBondContact OG1-OE1 3.45Å; H367-E371 PolarHBondContact O-N 3.37Å; E368-E371 PolarHBondContact O-N 3.4Å; E371-R374 WeakPolarHBondContact O-CB 3.4Å; E371-R374 PolarHBondContact O-N 3.37Å; E371-R374 WeakPolarHBondContact OE2-CD 3.47Å; E371-R374 IonicContact OE2-CZ 3.3Å; E371-R374 IonicContact OE2-NE 4Å; E371-R374 IonicContact OE2-NH1 3.44Å; E371-R374 PolarHBondContact OE2-NH1 3.04Å; E371-A375 PolarHBondContact O-N 2.95Å; E371-A375 VanDerWaalsContact O-N 3.09Å
372	M	98.9	Very high	98.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.3	-41.9	169.1	-175.4	-172	165.6	0	0	111.9	F75 G77 M80 L326 I353 E368 R374 A375 I376 V392	F75-M372 HydrophobicContact CB-CE 3.75Å; G77-M372 WeakPolarHBondContact CA-SD 3.48Å; G77-M372 VanDerWaalsContact N-CE 3.26Å; M80-M372 HydrophobicContact CE-CE 4.15Å; M80-M372 HydrophobicContact CE-SD 4.32Å; M80-M372 HydrophobicContact SD-SD 3.91Å; L326-M372 HydrophobicContact CD2-CB 4.11Å; L326-M372 HydrophobicContact CD2-CG 4.31Å; I353-M372 HydrophobicContact CD1-SD 3.85Å; E368-M372 WeakPolarHBondContact O-CB 3.46Å; E368-M372 PolarHBondContact O-N 2.83Å; M372-R374 PolarHBondContact O-N 3.37Å; M372-A375 WeakPolarHBondContact O-CB 3.24Å; M372-A375 PolarHBondContact O-N 2.59Å; M372-A375 VanDerWaalsContact O-N 3.15Å; M372-I376 HydrophobicContact CE-CD1 4.21Å; M372-I376 HydrophobicContact CG-CD1 4.34Å; M372-I376 WeakPolarHBondContact O-CG1 3.42Å; M372-I376 PolarHBondContact O-N 3.21Å; M372-V392 HydrophobicContact CE-CG1 4.07Å
373	D	98.9	Very high	98.8	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-65.8	-35	176.6	-169.4	61	0	0	0	112.9	K92 L105 E106 M107 A369 V370 A375 I376 G377	K92-D373 WeakPolarHBondContact CD-OD2 3.41Å; K92-D373 WeakPolarHBondContact CE-OD2 3.22Å; K92-D373 IonicContact NZ-OD2 2.87Å; K92-D373 PolarHBondContact NZ-OD2 2.98Å; L105-D373 WeakPolarHBondContact CA-OD2 3.24Å; L105-D373 WeakPolarHBondContact CB-OD1 3.49Å; L105-D373 HydrophobicContact CD2-CB 4.29Å; E106-D373 WeakPolarHBondContact CA-OD1 3.32Å; E106-D373 WeakPolarHBondContact CB-OD1 3.27Å; E106-D373 WeakPolarHBondContact CG-O 3.2Å; E106-D373 PolarHBondContact N-OD1 3Å; E106-D373 PolarHBondContact N-OD2 3.39Å; M107-D373 HydrophobicContact CE-CB 4.2Å; M107-D373 PolarHBondContact N-OD1 3.1Å; A369-D373 WeakPolarHBondContact O-CB 3.19Å; A369-D373 PolarHBondContact O-N 3.04Å; V370-D373 PolarHBondContact O-N 3.26Å; D373-A375 VanDerWaalsContact C-N 3.34Å; D373-I376 PolarHBondContact O-N 3.32Å; D373-G377 PolarHBondContact O-N 2.87Å
374	R	98.9	Very high	98.8	Very high	107 Å²	107	23.6 Å²	23.6	40%	0.404	12%	0.118	S	C	.	.	H	α-helix	trans	-62.4	-40.6	169.8	-69.9	166.7	-176.4	161.8	1.4	111.9	D315 T327 V370 E371 M372 G377 L378	D315-R374 IonicContact OD2-NH1 3.42Å; T327-R374 WeakPolarHBondContact OG1-CB 3.36Å; V370-R374 WeakPolarHBondContact O-CG 3.41Å; V370-R374 PolarHBondContact O-N 3.49Å; V370-R374 VanDerWaalsContact O-N 3.07Å; E371-R374 WeakPolarHBondContact O-CB 3.4Å; E371-R374 PolarHBondContact O-N 3.37Å; E371-R374 WeakPolarHBondContact OE2-CD 3.47Å; E371-R374 IonicContact OE2-CZ 3.3Å; E371-R374 IonicContact OE2-NE 4Å; E371-R374 IonicContact OE2-NH1 3.44Å; E371-R374 PolarHBondContact OE2-NH1 3.04Å; M372-R374 PolarHBondContact O-N 3.37Å; R374-G377 PolarHBondContact O-N 3.23Å; R374-L378 PolarHBondContact O-N 3.04Å
375	A	98.9	Very high	98.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-66	-40	177.1	0	0	0	0	0	112	L326 T327 V330 E371 M372 D373 G377 L378 A379	L326-A375 HydrophobicContact CG-CB 4.21Å; T327-A375 PolarHBondContact OG1-N 2.78Å; V330-A375 HydrophobicContact CB-CB 4.39Å; V330-A375 HydrophobicContact CG2-CB 4.14Å; E371-A375 PolarHBondContact O-N 2.95Å; E371-A375 VanDerWaalsContact O-N 3.09Å; M372-A375 WeakPolarHBondContact O-CB 3.24Å; M372-A375 PolarHBondContact O-N 2.59Å; M372-A375 VanDerWaalsContact O-N 3.15Å; D373-A375 VanDerWaalsContact C-N 3.34Å; A375-G377 VanDerWaalsContact C-N 3.34Å; A375-G377 PolarHBondContact O-N 2.95Å; A375-L378 PolarHBondContact O-N 3.37Å; A375-A379 PolarHBondContact O-N 3.01Å
376	I	98.9	Very high	98.6	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-58.1	-46.4	170.4	-70.4	161.6	0	0	0	110.7	F75 E106 M107 F110 M372 D373 L378 A379 G380 V392	F75-I376 HydrophobicContact CB-CD1 4.21Å; F75-I376 HydrophobicContact CB-CG1 4.08Å; F75-I376 HydrophobicContact CD1-CD1 4.26Å; F75-I376 HydrophobicContact CD1-CG1 3.39Å; F75-I376 HydrophobicContact CD2-CG1 3.89Å; F75-I376 HydrophobicContact CE1-CB 4.44Å; F75-I376 HydrophobicContact CE1-CG1 3.69Å; F75-I376 HydrophobicContact CE2-CG1 4.14Å; F75-I376 HydrophobicContact CG-CD1 4.2Å; F75-I376 HydrophobicContact CG-CG1 3.52Å; F75-I376 HydrophobicContact CZ-CG1 4.07Å; E106-I376 HydrophobicContact CB-CB 4.41Å; E106-I376 HydrophobicContact CB-CG2 3.96Å; M107-I376 HydrophobicContact CB-CD1 4.42Å; M107-I376 HydrophobicContact CE-CD1 3.9Å; F110-I376 HydrophobicContact CE1-CG2 3.64Å; F110-I376 HydrophobicContact CZ-CG2 3.72Å; M372-I376 HydrophobicContact CE-CD1 4.21Å; M372-I376 HydrophobicContact CG-CD1 4.34Å; M372-I376 WeakPolarHBondContact O-CG1 3.42Å; M372-I376 PolarHBondContact O-N 3.21Å; D373-I376 PolarHBondContact O-N 3.32Å; I376-L378 PolarHBondContact O-N 3.48Å; I376-A379 PolarHBondContact O-N 2.61Å; I376-G380 PolarHBondContact O-N 2.83Å; I376-V392 HydrophobicContact CD1-CB 4.35Å; I376-V392 HydrophobicContact CD1-CG1 3.64Å; I376-V392 HydrophobicContact CD1-CG2 3.71Å; I376-V392 HydrophobicContact CG1-CG2 4.1Å; I376-V392 HydrophobicContact CG2-CG2 4.24Å
377	G	98.8	Very high	98.5	Very high	5 Å²	5	35.8 Å²	35.8	5%	0.052	18%	0.178	C	C	.	.	H	α-helix	trans	-60	-41.5	175.2	0	0	0	0	0	113.5	D373 R374 A375 R381	D373-G377 PolarHBondContact O-N 2.87Å; R374-G377 PolarHBondContact O-N 3.23Å; A375-G377 VanDerWaalsContact C-N 3.34Å; A375-G377 PolarHBondContact O-N 2.95Å; G377-R381 PolarHBondContact O-N 2.83Å; G377-R381 PolarHBondContact O-NH1 2.8Å; G377-R381 VanDerWaalsContact O-NH1 3.14Å
378	L	98.9	Very high	98.5	Very high	22 Å²	22	34.9 Å²	34.9	12%	0.115	17%	0.174	C	C	.	.	H	α-helix	trans	-69.9	-45.1	178.8	-177.2	56.5	0	0	0	112.1	T327 E331 R374 A375 I376 G380 R381 L382	T327-L378 HydrophobicContact CG2-CB 4Å; T327-L378 HydrophobicContact CG2-CD2 3.43Å; T327-L378 VanDerWaalsContact CG2-CD2 3.43Å; T327-L378 HydrophobicContact CG2-CG 4.36Å; E331-L378 HydrophobicContact CB-CD2 3.73Å; E331-L378 HydrophobicContact CG-CD2 4.03Å; R374-L378 PolarHBondContact O-N 3.04Å; A375-L378 PolarHBondContact O-N 3.37Å; I376-L378 PolarHBondContact O-N 3.48Å; L378-G380 PolarHBondContact O-N 2.64Å; L378-R381 WeakPolarHBondContact O-CA 3.48Å; L378-R381 WeakPolarHBondContact O-CB 3.37Å; L378-R381 PolarHBondContact O-N 3.04Å; L378-L382 HydrophobicContact CD1-CD1 4.21Å; L378-L382 HydrophobicContact CD1-CG 4.16Å; L378-L382 HydrophobicContact CG-CD1 3.91Å; L378-L382 HydrophobicContact CG-CG 4.32Å; L378-L382 WeakPolarHBondContact O-CG 3.46Å; L378-L382 PolarHBondContact O-N 2.87Å
379	A	98.8	Very high	98.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.4	-39	174.8	0	0	0	0	0	112.2	I73 F75 V330 I334 A375 I376 R381 L382 T383	I73-A379 HydrophobicContact CD1-CB 4.21Å; F75-A379 HydrophobicContact CE2-CB 4.14Å; F75-A379 HydrophobicContact CZ-CB 3.54Å; V330-A379 HydrophobicContact CG1-CB 4.16Å; I334-A379 HydrophobicContact CD1-CB 3.42Å; I334-A379 VanDerWaalsContact CD1-CB 3.42Å; A375-A379 PolarHBondContact O-N 3.01Å; I376-A379 PolarHBondContact O-N 2.61Å; A379-R381 PolarHBondContact O-N 2.86Å; A379-L382 PolarHBondContact O-N 2.85Å; A379-L382 VanDerWaalsContact O-N 3.14Å; A379-T383 WeakPolarHBondContact O-CB 3.42Å; A379-T383 PolarHBondContact O-N 2.85Å; A379-T383 PolarHBondContact O-OG1 3.01Å
380	G	98.5	Very high	98.5	Very high	32 Å²	32	34.8 Å²	34.8	33%	0.33	17%	0.174	S	C	.	.	H	α-helix	trans	-64.5	-18.7	172.9	0	0	0	0	0	115.1	I376 L378	I376-G380 PolarHBondContact O-N 2.83Å; L378-G380 PolarHBondContact O-N 2.64Å
381	R	98.6	Very high	98.5	Very high	170 Å²	170	34.7 Å²	34.7	64%	0.642	17%	0.173	S	C	*	.	H	α-helix	trans	-92.1	-24.3	171	-68.4	-177.7	-66.3	-90.3	5.1	113.2	G377 L378 A379	G377-R381 PolarHBondContact O-N 2.83Å; G377-R381 PolarHBondContact O-NH1 2.8Å; G377-R381 VanDerWaalsContact O-NH1 3.14Å; L378-R381 WeakPolarHBondContact O-CA 3.48Å; L378-R381 WeakPolarHBondContact O-CB 3.37Å; L378-R381 PolarHBondContact O-N 3.04Å; A379-R381 PolarHBondContact O-N 2.86Å
382	L	98.7	Very high	98.5	Very high	45 Å²	45	34.3 Å²	34.3	24%	0.236	17%	0.171	C	C	.	.	H	α-helix	trans	-88.6	-14.4	179.5	-66	173.6	0	0	0	113.4	E331 I334 Q338 L378 A379	E331-L382 HydrophobicContact CG-CD1 4.19Å; I334-L382 HydrophobicContact CB-CD1 4.21Å; I334-L382 HydrophobicContact CD1-CD1 4.32Å; I334-L382 HydrophobicContact CG2-CB 3.85Å; I334-L382 HydrophobicContact CG2-CD1 4.25Å; Q338-L382 PolarHBondContact NE2-O 2.85Å; L378-L382 HydrophobicContact CD1-CD1 4.21Å; L378-L382 HydrophobicContact CD1-CG 4.16Å; L378-L382 HydrophobicContact CG-CD1 3.91Å; L378-L382 HydrophobicContact CG-CG 4.32Å; L378-L382 WeakPolarHBondContact O-CG 3.46Å; L378-L382 PolarHBondContact O-N 2.87Å; A379-L382 PolarHBondContact O-N 2.85Å; A379-L382 VanDerWaalsContact O-N 3.14Å
383	T	98.6	Very high	98.5	Very high	23 Å²	23	34.3 Å²	34.3	14%	0.141	17%	0.171	C	C	.	.	S	Bend	trans	-128	163.1	-173.8	60.8	0	0	0	0	112.7	I73 I334 F344 A379 T388	I73-T383 HydrophobicContact CD1-CG2 4.13Å; I334-T383 HydrophobicContact CG2-CG2 4.02Å; F344-T383 HydrophobicContact CZ-CG2 4.11Å; A379-T383 WeakPolarHBondContact O-CB 3.42Å; A379-T383 PolarHBondContact O-N 2.85Å; A379-T383 PolarHBondContact O-OG1 3.01Å; T383-T388 HydrophobicContact CG2-CG2 4.29Å
384	S	98.1	Very high	98.5	Very high	51 Å²	51	34.3 Å²	34.3	36%	0.357	17%	0.172	S	C	.	.			trans	-103	126.2	-178.2	-179.1	0	0	0	0	111.7	H386 D387 T388	S384-H386 PolarHBondContact O-N 2.78Å; S384-H386 PolarHBondContact OG-N 3.33Å; S384-D387 WeakPolarHBondContact CB-OD1 3.33Å; S384-D387 PolarHBondContact O-N 2.9Å; S384-D387 VanDerWaalsContact O-OD1 3.06Å; S384-T388 WeakPolarHBondContact O-CB 3.49Å; S384-T388 PolarHBondContact O-N 2.99Å; S384-T388 PolarHBondContact O-OG1 3.19Å
385	I	96.6	Very high	98.5	Very high	93 Å²	93	29.2 Å²	29.2	48%	0.477	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.6	174.3	-160.8	172.6	0	0	0	113	K481 G482	I385-K481 HydrophobicContact CD1-CB 4.3Å; I385-K481 HydrophobicContact CD1-CD 4.47Å; I385-K481 HydrophobicContact CD1-CG 4.48Å; I385-G482 WeakPolarHBondContact O-CA 3.4Å
386	H	96.9	Very high	98.5	Very high	120 Å²	120	29.2 Å²	29.2	56%	0.556	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-17.7	177.1	-55.3	-48.9	0	0	0	114.2	S384	S384-H386 PolarHBondContact O-N 2.78Å; S384-H386 PolarHBondContact OG-N 3.33Å
387	D	97.8	Very high	98.5	Very high	44 Å²	44	29.1 Å²	29.1	24%	0.235	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.4	-11.9	-178.9	90.5	-29.1	0	0	0	114.1	A69 K70 N71 S384	A69-D387 CarbonylContact C-O 3.54Å; K70-D387 WeakPolarHBondContact CA-O 3.43Å; K70-D387 HydrophobicContact CB-CB 4.02Å; K70-D387 WeakPolarHBondContact CD-OD2 3.29Å; K70-D387 PolarHBondContact N-O 3.29Å; N71-D387 PolarHBondContact N-O 2.95Å; N71-D387 VanDerWaalsContact ND2-CG 3.3Å; N71-D387 PolarHBondContact ND2-OD1 2.87Å; N71-D387 PolarHBondContact ND2-OD2 2.9Å; S384-D387 WeakPolarHBondContact CB-OD1 3.33Å; S384-D387 PolarHBondContact O-N 2.9Å; S384-D387 VanDerWaalsContact O-OD1 3.06Å
388	T	98.8	Very high	98.6	Very high	2 Å²	2	29 Å²	29	1%	0.012	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.2	-173.3	-57.9	0	0	0	0	110.1	N71 I73 T383 S384 G482 P483	N71-T388 HydrophobicContact CB-CG2 3.97Å; N71-T388 PolarHBondContact ND2-OG1 2.99Å; N71-T388 WeakPolarHBondContact O-CA 3.49Å; I73-T388 HydrophobicContact CD1-CG2 4.27Å; I73-T388 HydrophobicContact CG1-CG2 4.23Å; T383-T388 HydrophobicContact CG2-CG2 4.29Å; S384-T388 WeakPolarHBondContact O-CB 3.49Å; S384-T388 PolarHBondContact O-N 2.99Å; S384-T388 PolarHBondContact O-OG1 3.19Å; T388-G482 WeakPolarHBondContact O-CA 3.31Å; T388-P483 WeakPolarHBondContact O-CD 3.46Å
389	L	98.9	Very high	98.6	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.8	166.6	168.5	61.1	0	0	0	108.1	A69 N71 L72 I73 V391 K481 A485 M501 A504	A69-L389 HydrophobicContact CB-CB 4Å; N71-L389 PolarHBondContact O-N 3.2Å; L72-L389 WeakPolarHBondContact CA-O 3.34Å; L72-L389 HydrophobicContact CD2-CB 3.99Å; L72-L389 HydrophobicContact CD2-CD2 4.05Å; L72-L389 HydrophobicContact CD2-CG 4.33Å; I73-L389 PolarHBondContact N-O 2.96Å; L389-V391 HydrophobicContact CD1-CG2 4.11Å; L389-V391 HydrophobicContact CG-CG2 4.25Å; L389-K481 WeakPolarHBondContact CA-O 3.36Å; L389-K481 WeakPolarHBondContact CD1-O 3.45Å; L389-A485 HydrophobicContact CD1-CB 3.79Å; L389-M501 HydrophobicContact CD2-CB 4.41Å; L389-M501 HydrophobicContact CD2-CG 4.03Å; L389-A504 HydrophobicContact CD2-CB 3.53Å
390	S	98.9	Very high	98.6	Very high	4 Å²	4	30.4 Å²	30.4	3%	0.028	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.8	170	-61.2	0	0	0	0	109.7	I73 A480 K481	I73-S390 WeakPolarHBondContact O-CA 3.38Å; S390-A480 WeakPolarHBondContact O-CA 3.29Å; S390-K481 PolarHBondContact N-O 2.82Å; S390-K481 PolarHBondContact O-N 3.1Å
391	V	98.9	Very high	98.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	137.4	171	-178.2	0	0	0	0	108.3	I73 L74 F75 L389 V478 F479 A480 L488 I497 M501	I73-V391 PolarHBondContact O-N 2.98Å; L74-V391 HydrophobicContact CD1-CB 3.93Å; L74-V391 HydrophobicContact CD1-CG1 3.9Å; F75-V391 PolarHBondContact N-O 3.02Å; L389-V391 HydrophobicContact CD1-CG2 4.11Å; L389-V391 HydrophobicContact CG-CG2 4.25Å; V391-V478 HydrophobicContact CG1-CG1 3.57Å; V391-F479 CarbonylContact C-O 3.28Å; V391-F479 VanDerWaalsContact CA-O 3.31Å; V391-F479 WeakPolarHBondContact CA-O 3.44Å; V391-A480 HydrophobicContact CG2-CB 4.46Å; V391-L488 HydrophobicContact CG1-CD1 4.16Å; V391-L488 HydrophobicContact CG2-CD1 3.69Å; V391-I497 HydrophobicContact CG1-CG2 4.17Å; V391-M501 HydrophobicContact CB-SD 4.12Å; V391-M501 HydrophobicContact CG2-CE 4.28Å; V391-M501 HydrophobicContact CG2-CG 3.92Å; V391-M501 HydrophobicContact CG2-SD 3.82Å
392	V	99	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	133.5	168.8	-171.7	0	0	0	0	107.6	F75 M80 M107 F110 M372 I376 V478 F479	F75-V392 HydrophobicContact CB-CB 4.23Å; F75-V392 HydrophobicContact CB-CG1 4.05Å; F75-V392 HydrophobicContact CB-CG2 4.02Å; F75-V392 HydrophobicContact CD2-CG2 4.26Å; F75-V392 HydrophobicContact CG-CG2 4.42Å; F75-V392 CarbonylContact O-C 3.53Å; F75-V392 WeakPolarHBondContact O-CA 3.41Å; M80-V392 HydrophobicContact CE-CG1 4.2Å; M107-V392 HydrophobicContact CB-CB 4.36Å; M107-V392 HydrophobicContact CB-CG1 4.2Å; M107-V392 HydrophobicContact CB-CG2 4.2Å; M107-V392 HydrophobicContact CE-CG1 4.35Å; M107-V392 HydrophobicContact SD-CG1 4.25Å; F110-V392 HydrophobicContact CD2-CG2 4.41Å; F110-V392 HydrophobicContact CE1-CG2 4.23Å; F110-V392 HydrophobicContact CE2-CG2 3.69Å; F110-V392 HydrophobicContact CZ-CG2 3.58Å; M372-V392 HydrophobicContact CE-CG1 4.07Å; I376-V392 HydrophobicContact CD1-CB 4.35Å; I376-V392 HydrophobicContact CD1-CG1 3.64Å; I376-V392 HydrophobicContact CD1-CG2 3.71Å; I376-V392 HydrophobicContact CG1-CG2 4.1Å; I376-V392 HydrophobicContact CG2-CG2 4.24Å; V392-V478 CarbonylContact O-C 3.52Å; V392-V478 WeakPolarHBondContact O-CA 3.47Å; V392-F479 HydrophobicContact CB-CB 4.18Å; V392-F479 HydrophobicContact CB-CD2 4.24Å; V392-F479 HydrophobicContact CG1-CD2 4.49Å; V392-F479 PolarHBondContact N-O 3.31Å; V392-F479 PolarHBondContact O-N 2.68Å
393	T	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	171	175.6	-170.2	0	0	0	0	110.3	L74 F75 L76 G77 A477 I497	L74-T393 HydrophobicContact CD1-CG2 4.01Å; F75-T393 PolarHBondContact O-N 3.33Å; L76-T393 WeakPolarHBondContact CA-O 3.36Å; L76-T393 HydrophobicContact CD2-CG2 3.64Å; G77-T393 PolarHBondContact N-O 3.28Å; T393-A477 WeakPolarHBondContact CA-O 3.5Å; T393-A477 PolarHBondContact OG1-O 2.73Å; T393-I497 HydrophobicContact CG2-CD1 4.14Å
394	A	98.9	Very high	98.3	Very high	1 Å²	1	26 Å²	26	1%	0.008	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	171.7	155.8	0	0	0	0	0	110.7	G77 M80 H396 V476	G77-A394 VanDerWaalsContact O-CA 3.27Å; G77-A394 WeakPolarHBondContact O-CA 3.43Å; G77-A394 VanDerWaalsContact O-CB 3.24Å; G77-A394 WeakPolarHBondContact O-CB 3.4Å; M80-A394 VanDerWaalsContact C-CB 3.48Å; M80-A394 HydrophobicContact CB-CB 4.05Å; M80-A394 WeakPolarHBondContact O-CB 3.43Å; A394-H396 WeakPolarHBondContact CB-O 3.17Å; A394-V476 HydrophobicContact CB-CB 3.99Å; A394-V476 HydrophobicContact CB-CG1 4.02Å; A394-V476 HydrophobicContact CB-CG2 4.27Å; A394-V476 WeakPolarHBondContact O-CG2 3.33Å
395	D	98.9	Very high	98.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.177	C	C	.	.	S	Bend	trans	-98.3	-39.3	171.9	75.1	-46.2	0	0	0	112.4	L76 D78 G79 T118 S128 T131 Y135 Q494	L76-D395 HydrophobicContact CD1-CB 4.06Å; L76-D395 HydrophobicContact CD2-CB 4.11Å; D78-D395 WeakPolarHBondContact CA-OD1 3.36Å; G79-D395 PolarHBondContact N-OD1 3.01Å; T118-D395 WeakPolarHBondContact CB-O 3.48Å; T118-D395 VanDerWaalsContact CG2-O 3.26Å; T118-D395 WeakPolarHBondContact CG2-O 3.4Å; S128-D395 VanDerWaalsContact CA-OD2 3.23Å; S128-D395 WeakPolarHBondContact CA-OD2 3.4Å; S128-D395 VanDerWaalsContact CB-OD2 3.29Å; S128-D395 WeakPolarHBondContact CB-OD2 3.48Å; T131-D395 HydrophobicContact CG2-CB 4.4Å; T131-D395 WeakPolarHBondContact CG2-O 3.08Å; T131-D395 WeakPolarHBondContact OG1-CB 3.39Å; T131-D395 PolarHBondContact OG1-OD2 2.63Å; Y135-D395 HydrophobicContact CD1-CB 4.1Å; Y135-D395 HydrophobicContact CE1-CB 3.37Å; D395-Q494 PolarHBondContact O-NE2 2.82Å
396	H	98.9	Very high	98.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.			trans	-144.7	-176.3	166.5	48.9	69.7	0	0	0	111	G79 M80 P126 S128 D354 A394 H471	G79-H396 CarbonylContact C-O 3.51Å; G79-H396 VanDerWaalsContact CA-O 3.22Å; G79-H396 WeakPolarHBondContact CA-O 3.41Å; M80-H396 PolarHBondContact N-O 3.36Å; P126-H396 HydrophobicContact CG-CB 3.82Å; S128-H396 PolarHBondContact N-NE2 3.25Å; D354-H396 IonicContact OD1-CE1 3.34Å; A394-H396 WeakPolarHBondContact CB-O 3.17Å; H396-H471 HydrophobicContact CB-CB 4.43Å; H396-H471 AromaticContact CD2-ND1 3.76Å; H396-H471 AromaticContact CE1-CD2 3.2Å; H396-H471 PolarHBondContact CE1-CD2 2.89Å; H396-H471 AromaticContact CE1-CE1 3.59Å; H396-H471 AromaticContact CE1-CG 3.35Å; H396-H471 AromaticContact CE1-ND1 3.58Å; H396-H471 AromaticContact CE1-NE2 3.43Å; H396-H471 PolarHBondContact CE1-NE2 2.9Å; H396-H471 AromaticContact CG-CG 3.95Å; H396-H471 AromaticContact ND1-CD2 3.68Å; H396-H471 AromaticContact ND1-CG 3.49Å; H396-H471 AromaticContact ND1-ND1 3.96Å; H396-H471 AromaticContact NE2-CD2 3.78Å; H396-H471 AromaticContact NE2-CE1 3.33Å; H396-H471 PolarHBondContact NE2-CE1 2.67Å; H396-H471 VanDerWaalsContact NE2-CE1 3.33Å; H396-H471 AromaticContact NE2-CG 3.68Å; H396-H471 AromaticContact NE2-ND1 3.39Å; H396-H471 PolarHBondContact NE2-ND1 3.25Å; H396-H471 AromaticContact NE2-NE2 3.62Å
397	S	98.9	Very high	98.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	-161.5	173.3	-168.4	0	0	0	0	109.6	H471 G472 E474	S397-H471 CarbonylContact O-C 3.58Å; S397-H471 VanDerWaalsContact O-CA 3.3Å; S397-H471 WeakPolarHBondContact O-CA 3.1Å; S397-H471 WeakPolarHBondContact O-CB 3.47Å; S397-G472 PolarHBondContact N-O 2.76Å; S397-G472 PolarHBondContact O-N 2.99Å; S397-E474 WeakPolarHBondContact CB-OE1 3.28Å; S397-E474 WeakPolarHBondContact CB-OE2 3.28Å; S397-E474 PolarHBondContact OG-OE1 2.67Å
398	H	98.9	Very high	97.9	Very high	2 Å²	2	32 Å²	32	1%	0.009	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	166.4	171.2	-81.3	-80.9	0	0	0	110.1	G79 D354 H357 F400 E469 H471	G79-H398 WeakPolarHBondContact CA-NE2 3.17Å; G79-H398 PolarHBondContact O-CD2 2.83Å; G79-H398 VanDerWaalsContact O-CD2 3.3Å; D354-H398 WeakPolarHBondContact CA-NE2 3.38Å; D354-H398 IonicContact OD1-CE1 3.74Å; D354-H398 PolarHBondContact OD1-CE1 2.91Å; D354-H398 IonicContact OD1-NE2 3.85Å; D354-H398 PolarHBondContact OD1-NE2 2.93Å; H357-H398 HydrophobicContact CB-CB 4.05Å; H357-H398 WeakPolarHBondContact CB-ND1 3.29Å; H357-H398 AromaticContact CD2-CD2 3.34Å; H357-H398 PolarHBondContact CD2-CD2 2.96Å; H357-H398 AromaticContact CD2-CG 3.87Å; H357-H398 AromaticContact CD2-NE2 3.9Å; H357-H398 AromaticContact CG-CD2 3.62Å; H357-H398 AromaticContact CG-CG 3.69Å; H398-F400 HydrophobicContact CB-CB 3.89Å; H398-F400 PolarHBondContact O-N 3.24Å; H398-E469 WeakPolarHBondContact CB-OE1 3.43Å; H398-E469 IonicContact CE1-OE2 3.11Å; H398-E469 IonicContact CG-OE1 2.74Å; H398-E469 IonicContact CG-OE2 3.75Å; H398-E469 IonicContact ND1-OE1 2.77Å; H398-E469 IonicContact ND1-OE2 3.32Å; H398-E469 PolarHBondContact ND1-OE2 2.77Å; H398-H471 AromaticContact CE1-CD2 3.89Å
399	V	98.9	Very high	97.7	Very high	45 Å²	45	33.4 Å²	33.4	27%	0.273	18%	0.18	S	C	.	.	S	Bend	trans	-76.7	32.4	166.2	-61	0	0	0	0	111.8	Y432 G433 E469 T470	V399-Y432 CarbonylContact O-C 3.47Å; V399-Y432 VanDerWaalsContact O-CA 3.32Å; V399-Y432 WeakPolarHBondContact O-CA 3.43Å; V399-G433 PolarHBondContact O-N 2.87Å; V399-E469 WeakPolarHBondContact CA-OE1 3.4Å; V399-E469 HydrophobicContact CG2-CG 3.71Å; V399-E469 WeakPolarHBondContact CG2-OE1 3.43Å; V399-E469 PolarHBondContact N-OE1 2.73Å; V399-T470 PolarHBondContact N-O 2.83Å
400	F	98.9	Very high	97.5	Very high	7 Å²	7	35.8 Å²	35.8	3%	0.031	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	134.3	177	170.9	-111.1	0	0	0	111.2	P83 T84 A87 H357 A362 L366 H398 I430 Y432	P83-F400 HydrophobicContact CB-CD1 3.87Å; P83-F400 HydrophobicContact CB-CE1 4.19Å; T84-F400 WeakPolarHBondContact OG1-CD1 3.45Å; A87-F400 HydrophobicContact CB-CE1 3.87Å; A87-F400 HydrophobicContact CB-CZ 3.78Å; H357-F400 AromaticContact CE1-CD1 3.73Å; H357-F400 AromaticContact CE1-CD2 3.82Å; H357-F400 AromaticContact CE1-CG 3.53Å; H357-F400 AromaticContact ND1-CD2 3.91Å; H357-F400 AromaticContact ND1-CG 3.82Å; A362-F400 HydrophobicContact CB-CD2 4.46Å; A362-F400 HydrophobicContact CB-CE2 3.85Å; L366-F400 HydrophobicContact CD1-CZ 4.43Å; L366-F400 HydrophobicContact CD2-CE1 4.46Å; L366-F400 HydrophobicContact CD2-CZ 4.31Å; H398-F400 HydrophobicContact CB-CB 3.89Å; H398-F400 PolarHBondContact O-N 3.24Å; F400-I430 HydrophobicContact CD2-CG2 4.11Å; F400-I430 HydrophobicContact CE2-CB 4.34Å; F400-I430 HydrophobicContact CE2-CD1 4.09Å; F400-I430 HydrophobicContact CE2-CG1 3.93Å; F400-I430 HydrophobicContact CE2-CG2 3.56Å; F400-I430 HydrophobicContact CZ-CD1 4.28Å; F400-I430 HydrophobicContact CZ-CG1 4.19Å; F400-Y432 HydrophobicContact CB-CD1 3.99Å; F400-Y432 HydrophobicContact CB-CE1 3.64Å; F400-Y432 HydrophobicContact CD2-CD1 4.42Å; F400-Y432 AromaticContact CD2-CE1 3.79Å; F400-Y432 HydrophobicContact CD2-CE1 3.79Å; F400-Y432 HydrophobicContact CD2-CE2 4.39Å; F400-Y432 AromaticContact CD2-CZ 3.76Å; F400-Y432 HydrophobicContact CG-CE1 4.17Å
401	S	98.8	Very high	97.3	Very high	56 Å²	56	38.4 Å²	38.4	39%	0.392	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	153.9	176.3	67.6	0	0	0	0	111.2	I430 L431	S401-I430 VanDerWaalsContact O-CA 3.29Å; S401-I430 WeakPolarHBondContact O-CA 3.37Å; S401-L431 PolarHBondContact N-O 2.82Å; S401-L431 PolarHBondContact O-N 2.67Å; S401-L431 VanDerWaalsContact O-O 3.14Å; S401-L431 PolarHBondContact OG-O 2.76Å
402	F	97.4	Very high	97.3	Very high	67 Å²	67	38.7 Å²	38.7	29%	0.294	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	141.4	165	72.9	-82.6	0	0	0	109.6	T86 A87 I90 I412 S429 I430	T86-F402 HydrophobicContact CG2-CE1 4.06Å; T86-F402 HydrophobicContact CG2-CZ 3.57Å; A87-F402 HydrophobicContact CB-CD1 4.16Å; A87-F402 HydrophobicContact CB-CE1 4.5Å; I90-F402 HydrophobicContact CD1-CE2 4.19Å; F402-I412 HydrophobicContact CB-CD1 4.38Å; F402-I412 HydrophobicContact CD2-CD1 4.06Å; F402-I412 HydrophobicContact CG-CD1 4.23Å; F402-S429 CarbonylContact C-O 3.5Å; F402-S429 VanDerWaalsContact CA-O 3.3Å; F402-S429 WeakPolarHBondContact CA-O 3.35Å; F402-I430 HydrophobicContact CB-CG1 4.04Å
403	G	97.3	Very high	97.2	Very high	31 Å²	31	39.5 Å²	39.5	32%	0.32	21%	0.214	S	C	.	.			trans	-172.6	-142.9	-171.4	0	0	0	0	0	114.4	Y405 S429	G403-Y405 PolarHBondContact O-N 3.23Å; G403-S429 PolarHBondContact N-O 3.14Å; G403-S429 PolarHBondContact N-OG 2.72Å; G403-S429 WeakPolarHBondContact O-CB 3.45Å; G403-S429 PolarHBondContact O-OG 2.77Å
404	G	96.3	Very high	97.1	Very high	22 Å²	22	39.6 Å²	39.6	23%	0.227	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	12.3	177.7	0	0	0	0	0	116.1	T406 P417	G404-T406 PolarHBondContact O-N 3.5Å; G404-P417 WeakPolarHBondContact O-CD 3.35Å
405	Y	96.8	Very high	97.1	Very high	218 Å²	218	41.2 Å²	41.2	86%	0.855	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	41.6	-179.9	-52.2	-82.4	0	0	0	114.4	G403 P417	G403-Y405 PolarHBondContact O-N 3.23Å; Y405-P417 WeakPolarHBondContact O-CG 3.49Å
406	T	96.2	Very high	97	Very high	50 Å²	50	41.6 Å²	41.6	31%	0.307	23%	0.226	S	C	.	.	P	Polyproline II helix	trans	-57	146.7	173.9	44.9	0	0	0	0	113	G404 N410	G404-T406 PolarHBondContact O-N 3.5Å; T406-N410 WeakPolarHBondContact CG2-ND2 3.21Å
407	H	94.7	Very high	96.9	Very high	101 Å²	101	44.8 Å²	44.8	47%	0.468	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-71.5	153.4	175.2	-60.1	-41.5	0	0	0	111.8	P36 G409 N410	P36-H407 HydrophobicContact CB-CB 4.47Å; H407-G409 PolarHBondContact O-N 3.4Å; H407-N410 WeakPolarHBondContact O-CB 3.34Å; H407-N410 PolarHBondContact O-N 3.34Å
408	R	93.4	Very high	96.7	Very high	66 Å²	66	52.6 Å²	52.6	25%	0.249	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	132.9	172.4	-171.7	78.2	-178.4	-79.1	-14.1	110.4	E42 E101 E102 N410	E42-R408 IonicContact OE1-CZ 3.57Å; E42-R408 IonicContact OE1-NH1 3.85Å; E42-R408 PolarHBondContact OE1-NH1 2.8Å; E42-R408 IonicContact OE1-NH2 2.76Å; E42-R408 PolarHBondContact OE1-NH2 2.76Å; E42-R408 IonicContact OE2-CZ 2.71Å; E42-R408 IonicContact OE2-NH1 3.58Å; E42-R408 PolarHBondContact OE2-NH1 2.76Å; E42-R408 IonicContact OE2-NH2 3.6Å; E101-R408 WeakPolarHBondContact OE1-CA 3.46Å; E101-R408 WeakPolarHBondContact OE2-CD 3.41Å; E101-R408 IonicContact OE2-NE 3.68Å; E101-R408 PolarHBondContact OE2-NE 2.94Å; E102-R408 IonicContact OE2-CZ 2.68Å; E102-R408 IonicContact OE2-NE 3.16Å; E102-R408 PolarHBondContact OE2-NE 3.44Å; E102-R408 IonicContact OE2-NH2 3.58Å; E102-R408 PolarHBondContact OE2-NH2 2.75Å; R408-N410 VanDerWaalsContact C-N 3.26Å; R408-N410 PolarHBondContact O-N 3.25Å
409	G	93.7	Very high	96.7	Very high	31 Å²	31	55.9 Å²	55.9	32%	0.32	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	3.9	-177.1	0	0	0	0	0	115	E101 H407	E101-G409 PolarHBondContact OE1-N 2.85Å; H407-G409 PolarHBondContact O-N 3.4Å
410	N	94.4	Very high	96.6	Very high	51 Å²	51	55 Å²	55	27%	0.273	30%	0.296	S	S	.	.			trans	-68.5	134	170.6	-177.5	76.8	0	0	0	110	Q94 T406 H407 R408 I412	Q94-N410 PolarHBondContact NE2-O 2.76Å; T406-N410 WeakPolarHBondContact CG2-ND2 3.21Å; H407-N410 WeakPolarHBondContact O-CB 3.34Å; H407-N410 PolarHBondContact O-N 3.34Å; R408-N410 VanDerWaalsContact C-N 3.26Å; R408-N410 PolarHBondContact O-N 3.25Å; N410-I412 PolarHBondContact O-N 2.87Å
411	T	95.8	Very high	96.5	Very high	58 Å²	58	61.5 Å²	61.5	36%	0.356	33%	0.332	S	S	.	.			trans	-50.9	131.8	176.3	175.1	0	0	0	0	111.1	F413 G414	T411-F413 PolarHBondContact O-N 3Å; T411-F413 VanDerWaalsContact O-N 3.07Å; T411-G414 WeakPolarHBondContact O-CA 3.44Å; T411-G414 PolarHBondContact O-N 3.47Å
412	I	98	Very high	96.5	Very high	7 Å²	7	64.8 Å²	64.8	4%	0.036	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.5	-174.8	-168.9	55.4	0	0	0	113.2	A87 I90 L91 Q94 L366 F402 N410 G414 I430	A87-I412 HydrophobicContact CB-CD1 4.06Å; A87-I412 HydrophobicContact CB-CG1 3.9Å; I90-I412 HydrophobicContact CB-CD1 4.38Å; I90-I412 HydrophobicContact CD1-CD1 3.96Å; I90-I412 HydrophobicContact CG2-CB 4.03Å; I90-I412 HydrophobicContact CG2-CD1 4.28Å; I90-I412 HydrophobicContact CG2-CG1 4.43Å; L91-I412 HydrophobicContact CB-CG2 4.18Å; L91-I412 HydrophobicContact CD1-CG2 4.2Å; Q94-I412 VanDerWaalsContact OE1-N 3.08Å; L366-I412 HydrophobicContact CD1-CG1 4.18Å; L366-I412 HydrophobicContact CD1-CG2 4.27Å; F402-I412 HydrophobicContact CB-CD1 4.38Å; F402-I412 HydrophobicContact CD2-CD1 4.06Å; F402-I412 HydrophobicContact CG-CD1 4.23Å; N410-I412 PolarHBondContact O-N 2.87Å; I412-G414 VanDerWaalsContact C-N 3.34Å; I412-I430 HydrophobicContact CG1-CD1 4.37Å; I412-I430 VanDerWaalsContact O-CD1 3.28Å; I412-I430 WeakPolarHBondContact O-CD1 3.33Å; I412-I430 WeakPolarHBondContact O-CG1 3.25Å
413	F	97.9	Very high	96.5	Very high	17 Å²	17	64 Å²	64	8%	0.075	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.1	174.9	-51.1	-62.6	0	0	0	113.9	L91 K363 L366 T411 I430 Y453	L91-F413 HydrophobicContact CD1-CE2 3.66Å; L91-F413 HydrophobicContact CD1-CZ 3.97Å; L91-F413 HydrophobicContact CD2-CZ 4.06Å; K363-F413 HydrophobicContact CB-CD1 4.02Å; K363-F413 HydrophobicContact CB-CE1 3.62Å; K363-F413 HydrophobicContact CB-CE2 4.49Å; K363-F413 HydrophobicContact CB-CZ 3.88Å; K363-F413 HydrophobicContact CD-CD1 4.47Å; K363-F413 HydrophobicContact CD-CD2 3.99Å; K363-F413 HydrophobicContact CD-CE1 4.41Å; K363-F413 HydrophobicContact CD-CE2 3.87Å; K363-F413 HydrophobicContact CD-CG 4.28Å; K363-F413 HydrophobicContact CD-CZ 4.1Å; K363-F413 HydrophobicContact CG-CD1 4.46Å; K363-F413 HydrophobicContact CG-CD2 4.48Å; K363-F413 HydrophobicContact CG-CE1 3.98Å; K363-F413 HydrophobicContact CG-CE2 3.95Å; K363-F413 HydrophobicContact CG-CZ 3.69Å; L366-F413 HydrophobicContact CD1-CE1 3.92Å; L366-F413 HydrophobicContact CD1-CZ 4.35Å; T411-F413 PolarHBondContact O-N 3Å; T411-F413 VanDerWaalsContact O-N 3.07Å; F413-I430 HydrophobicContact CD1-CD1 3.89Å; F413-I430 HydrophobicContact CE1-CD1 4.32Å; F413-Y453 VanDerWaalsContact O-CD2 3.29Å; F413-Y453 WeakPolarHBondContact O-CD2 3.44Å
414	G	96.9	Very high	96.5	Very high	1 Å²	1	69 Å²	69	1%	0.01	36%	0.362	C	S	.	.	S	Bend	trans	-74.5	175.1	-167.4	0	0	0	0	0	114.9	T411 I412 T428 S429	T411-G414 WeakPolarHBondContact O-CA 3.44Å; T411-G414 PolarHBondContact O-N 3.47Å; I412-G414 VanDerWaalsContact C-N 3.34Å; G414-T428 CarbonylContact O-C 3.58Å; G414-T428 WeakPolarHBondContact O-CA 3.47Å; G414-S429 PolarHBondContact O-N 2.79Å
415	L	97.6	Very high	96.6	Very high	36 Å²	36	69.6 Å²	69.6	19%	0.188	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-75.6	152.6	174.7	-58.3	176.6	0	0	0	111.7	Y427 T428 A448 Y453	L415-Y427 WeakPolarHBondContact CA-O 3.38Å; L415-T428 HydrophobicContact CD2-CG2 4.14Å; L415-A448 HydrophobicContact CD2-CB 3.61Å; L415-Y453 HydrophobicContact CD1-CE1 3.97Å; L415-Y453 HydrophobicContact CD2-CD1 3.96Å; L415-Y453 HydrophobicContact CD2-CE1 4.08Å; L415-Y453 HydrophobicContact CD2-CG 4.37Å; L415-Y453 HydrophobicContact CG-CD1 4.27Å; L415-Y453 HydrophobicContact CG-CE1 3.87Å; L415-Y453 HydrophobicContact CG-CE2 4.49Å
416	A	97.2	Very high	96.6	Very high	8 Å²	8	60 Å²	60	7%	0.066	32%	0.324	C	S	.	.			trans	-65.1	144.1	161.9	0	0	0	0	0	110.2	K418 Y427	A416-K418 PolarHBondContact O-N 3Å; A416-Y427 HydrophobicContact CB-CD1 4.26Å; A416-Y427 HydrophobicContact CB-CD2 3.99Å; A416-Y427 HydrophobicContact CB-CE1 3.76Å; A416-Y427 HydrophobicContact CB-CE2 3.46Å; A416-Y427 VanDerWaalsContact CB-CE2 3.46Å; A416-Y427 HydrophobicContact CB-CG 4.35Å; A416-Y427 PolarHBondContact N-O 3.37Å
417	P	96.2	Very high	96.7	Very high	66 Å²	66	60.1 Å²	60.1	43%	0.429	32%	0.319	S	S	.	.	S	Bend	trans	-71.1	-2.3	-175.7	28.6	-36	0	0	0	114.3	G404 Y405	G404-P417 WeakPolarHBondContact O-CD 3.35Å; Y405-P417 WeakPolarHBondContact O-CG 3.49Å
418	K	96.3	Very high	96.9	Very high	165 Å²	165	55.4 Å²	55.4	72%	0.717	30%	0.297	S	S	*	.	S	Bend	trans	-129	145	172.2	-66	-177.4	179.9	179.3	0	109.6	A416 Y427	A416-K418 PolarHBondContact O-N 3Å; K418-Y427 VanDerWaalsContact O-CE1 3.28Å; K418-Y427 WeakPolarHBondContact O-CE1 3.33Å
419	T	97.4	Very high	97.1	Very high	71 Å²	71	52.4 Å²	52.4	44%	0.436	29%	0.286	S	S	.	.			trans	-67	168	164.1	50.6	0	0	0	0	110.7	K425	T419-K425 WeakPolarHBondContact CA-O 3.28Å
420	S	97.4	Very high	97.3	Very high	25 Å²	25	51.1 Å²	51.1	18%	0.175	27%	0.272	C	S	.	.			trans	-61.1	137.6	168	178.8	0	0	0	0	110.8	V422 D423 H424 K425	S420-V422 PolarHBondContact O-N 2.69Å; S420-V422 PolarHBondContact OG-N 3.46Å; S420-D423 WeakPolarHBondContact CB-OD1 2.82Å; S420-D423 PolarHBondContact OG-N 3.39Å; S420-H424 WeakPolarHBondContact O-CA 3.2Å; S420-H424 PolarHBondContact O-N 2.73Å; S420-H424 PolarHBondContact O-ND1 3.06Å; S420-K425 PolarHBondContact N-O 3.45Å
421	D	97.1	Very high	97.5	Very high	145 Å²	145	51.2 Å²	51.2	78%	0.775	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.7	168.2	54.5	-16.3	0	0	0	113.3	H424	D421-H424 PolarHBondContact O-CE1 3.14Å; D421-H424 VanDerWaalsContact O-CE1 3.23Å
422	V	97.8	Very high	97.7	Very high	124 Å²	124	48.9 Å²	48.9	75%	0.752	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	-49.7	180	-177.7	0	0	0	0	112.9	S420	S420-V422 PolarHBondContact O-N 2.69Å; S420-V422 PolarHBondContact OG-N 3.46Å
423	D	97.4	Very high	97.7	Very high	50 Å²	50	50.2 Å²	50.2	27%	0.267	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-0.1	-176.1	81.3	2.3	0	0	0	114.9	S420 K425 R445	S420-D423 WeakPolarHBondContact CB-OD1 2.82Å; S420-D423 PolarHBondContact OG-N 3.39Å; D423-K425 PolarHBondContact O-N 2.93Å; D423-K425 VanDerWaalsContact O-N 3.08Å; D423-K425 WeakPolarHBondContact OD1-CB 2.93Å; D423-K425 PolarHBondContact OD1-N 3.09Å; D423-R445 VanDerWaalsContact CG-NH2 3.35Å; D423-R445 IonicContact OD1-CZ 3.62Å; D423-R445 IonicContact OD1-NE 3.56Å; D423-R445 IonicContact OD1-NH2 3.26Å; D423-R445 PolarHBondContact OD1-NH2 2.81Å; D423-R445 IonicContact OD2-CZ 3.61Å; D423-R445 IonicContact OD2-NE 3.13Å; D423-R445 PolarHBondContact OD2-NE 2.63Å; D423-R445 IonicContact OD2-NH2 3.65Å; D423-R445 PolarHBondContact OD2-NH2 3.32Å; D423-R445 VanDerWaalsContact OD2-NH2 3.11Å
424	H	97.6	Very high	97.7	Very high	136 Å²	136	50.5 Å²	50.5	63%	0.63	28%	0.275	S	S	*	.			trans	59	15.3	177.4	-53.9	-26.6	0	0	0	115.8	S420 D421	S420-H424 WeakPolarHBondContact O-CA 3.2Å; S420-H424 PolarHBondContact O-N 2.73Å; S420-H424 PolarHBondContact O-ND1 3.06Å; D421-H424 PolarHBondContact O-CE1 3.14Å; D421-H424 VanDerWaalsContact O-CE1 3.23Å
425	K	97.9	Very high	97.8	Very high	35 Å²	35	50.5 Å²	50.5	15%	0.152	28%	0.275	C	S	.	.			trans	-103.1	153.5	177.7	-64	162.6	-175.2	170.8	0	112.1	T419 S420 D423 E444 R445 N447	T419-K425 WeakPolarHBondContact CA-O 3.28Å; S420-K425 PolarHBondContact N-O 3.45Å; D423-K425 PolarHBondContact O-N 2.93Å; D423-K425 VanDerWaalsContact O-N 3.08Å; D423-K425 WeakPolarHBondContact OD1-CB 2.93Å; D423-K425 PolarHBondContact OD1-N 3.09Å; K425-E444 VanDerWaalsContact NZ-CB 3.27Å; K425-E444 IonicContact NZ-OE2 2.67Å; K425-E444 PolarHBondContact NZ-OE2 2.79Å; K425-R445 WeakPolarHBondContact CD-O 3.11Å; K425-R445 PolarHBondContact NZ-O 3.34Å; K425-R445 PolarHBondContact O-NH2 3.08Å; K425-N447 HydrophobicContact CB-CB 3.87Å; K425-N447 HydrophobicContact CD-CB 4.14Å; K425-N447 HydrophobicContact CG-CB 3.84Å
426	S	97.9	Very high	97.9	Very high	17 Å²	17	50.4 Å²	50.4	12%	0.119	28%	0.276	C	S	.	.			trans	-67.2	155	174.5	-47.9	0	0	0	0	111.4	R445 N447 A448 S449	S426-R445 PolarHBondContact O-NH1 3.08Å; S426-R445 PolarHBondContact O-NH2 2.92Å; S426-N447 VanDerWaalsContact CB-OD1 3.27Å; S426-N447 WeakPolarHBondContact CB-OD1 3.41Å; S426-N447 PolarHBondContact N-OD1 2.98Å; S426-N447 PolarHBondContact OG-OD1 3.28Å; S426-A448 PolarHBondContact O-N 3.07Å; S426-S449 VanDerWaalsContact OG-CB 3.28Å; S426-S449 WeakPolarHBondContact OG-CB 3.48Å; S426-S449 PolarHBondContact OG-OG 3.09Å
427	Y	98.1	Very high	97.9	Very high	53 Å²	53	50.4 Å²	50.4	21%	0.208	28%	0.277	C	S	.	.			trans	-140.4	153.3	172.3	62.4	-78.9	0	0	0	109.1	L415 A416 K418 L431	L415-Y427 WeakPolarHBondContact CA-O 3.38Å; A416-Y427 HydrophobicContact CB-CD1 4.26Å; A416-Y427 HydrophobicContact CB-CD2 3.99Å; A416-Y427 HydrophobicContact CB-CE1 3.76Å; A416-Y427 HydrophobicContact CB-CE2 3.46Å; A416-Y427 VanDerWaalsContact CB-CE2 3.46Å; A416-Y427 HydrophobicContact CB-CG 4.35Å; A416-Y427 PolarHBondContact N-O 3.37Å; K418-Y427 VanDerWaalsContact O-CE1 3.28Å; K418-Y427 WeakPolarHBondContact O-CE1 3.33Å; Y427-L431 HydrophobicContact CD2-CD1 4.37Å
428	T	98.2	Very high	98	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.012	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-72.8	151.6	173.1	39.2	0	0	0	0	110.9	G414 L415 I430 Y453 Y458	G414-T428 CarbonylContact O-C 3.58Å; G414-T428 WeakPolarHBondContact O-CA 3.47Å; L415-T428 HydrophobicContact CD2-CG2 4.14Å; T428-I430 VanDerWaalsContact C-N 3.25Å; T428-I430 WeakPolarHBondContact CB-O 3.39Å; T428-I430 PolarHBondContact O-N 2.82Å; T428-I430 PolarHBondContact OG1-O 3.2Å; T428-Y453 HydrophobicContact CG2-CG 4.27Å; T428-Y458 HydrophobicContact CG2-CE1 3.97Å
429	S	97.8	Very high	98	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.021	26%	0.264	C	S	.	.	S	Bend	trans	-58.2	-43.3	169.6	-177.9	0	0	0	0	110.6	F402 G403 G414	F402-S429 CarbonylContact C-O 3.5Å; F402-S429 VanDerWaalsContact CA-O 3.3Å; F402-S429 WeakPolarHBondContact CA-O 3.35Å; G403-S429 PolarHBondContact N-O 3.14Å; G403-S429 PolarHBondContact N-OG 2.72Å; G403-S429 WeakPolarHBondContact O-CB 3.45Å; G403-S429 PolarHBondContact O-OG 2.77Å; G414-S429 PolarHBondContact O-N 2.79Å
430	I	98.6	Very high	97.9	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	132.5	172.9	-70.3	169.7	0	0	0	111.1	A362 L366 F400 S401 F402 I412 F413 T428 Y432 A460	A362-I430 HydrophobicContact CB-CD1 3.89Å; A362-I430 HydrophobicContact CB-CG2 3.83Å; L366-I430 HydrophobicContact CD1-CD1 4.27Å; F400-I430 HydrophobicContact CD2-CG2 4.11Å; F400-I430 HydrophobicContact CE2-CB 4.34Å; F400-I430 HydrophobicContact CE2-CD1 4.09Å; F400-I430 HydrophobicContact CE2-CG1 3.93Å; F400-I430 HydrophobicContact CE2-CG2 3.56Å; F400-I430 HydrophobicContact CZ-CD1 4.28Å; F400-I430 HydrophobicContact CZ-CG1 4.19Å; S401-I430 VanDerWaalsContact O-CA 3.29Å; S401-I430 WeakPolarHBondContact O-CA 3.37Å; F402-I430 HydrophobicContact CB-CG1 4.04Å; I412-I430 HydrophobicContact CG1-CD1 4.37Å; I412-I430 VanDerWaalsContact O-CD1 3.28Å; I412-I430 WeakPolarHBondContact O-CD1 3.33Å; I412-I430 WeakPolarHBondContact O-CG1 3.25Å; F413-I430 HydrophobicContact CD1-CD1 3.89Å; F413-I430 HydrophobicContact CE1-CD1 4.32Å; T428-I430 VanDerWaalsContact C-N 3.25Å; T428-I430 WeakPolarHBondContact CB-O 3.39Å; T428-I430 PolarHBondContact O-N 2.82Å; T428-I430 PolarHBondContact OG1-O 3.2Å; I430-Y432 HydrophobicContact CG2-CE2 4.44Å; I430-A460 HydrophobicContact CG2-CB 3.72Å
431	L	98.8	Very high	97.7	Very high	53 Å²	53	52 Å²	52	28%	0.277	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	156.4	172.4	-65.7	174.8	0	0	0	110.4	S401 Y427 Q461	S401-L431 PolarHBondContact N-O 2.82Å; S401-L431 PolarHBondContact O-N 2.67Å; S401-L431 VanDerWaalsContact O-O 3.14Å; S401-L431 PolarHBondContact OG-O 2.76Å; Y427-L431 HydrophobicContact CD2-CD1 4.37Å; L431-Q461 HydrophobicContact CD2-CB 3.79Å; L431-Q461 WeakPolarHBondContact CD2-O 3.49Å
432	Y	98.9	Very high	97.6	Very high	8 Å²	8	54.9 Å²	54.9	3%	0.031	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	152	173.3	-70.3	-87.8	0	0	0	112.2	H357 G360 A362 V399 F400 I430 N434 A460 Q461 A462 A463 E469	H357-Y432 HydrophobicContact CB-CE1 4.16Å; H357-Y432 AromaticContact ND1-CE1 3.64Å; H357-Y432 AromaticContact ND1-CZ 3.72Å; H357-Y432 PolarHBondContact ND1-OH 3.17Å; G360-Y432 WeakPolarHBondContact O-CE2 3.37Å; A362-Y432 WeakPolarHBondContact CA-OH 3.3Å; A362-Y432 HydrophobicContact CB-CE2 4.37Å; A362-Y432 PolarHBondContact N-OH 2.66Å; V399-Y432 CarbonylContact O-C 3.47Å; V399-Y432 VanDerWaalsContact O-CA 3.32Å; V399-Y432 WeakPolarHBondContact O-CA 3.43Å; F400-Y432 HydrophobicContact CB-CD1 3.99Å; F400-Y432 HydrophobicContact CB-CE1 3.64Å; F400-Y432 HydrophobicContact CD2-CD1 4.42Å; F400-Y432 AromaticContact CD2-CE1 3.79Å; F400-Y432 HydrophobicContact CD2-CE1 3.79Å; F400-Y432 HydrophobicContact CD2-CE2 4.39Å; F400-Y432 AromaticContact CD2-CZ 3.76Å; F400-Y432 HydrophobicContact CG-CE1 4.17Å; I430-Y432 HydrophobicContact CG2-CE2 4.44Å; Y432-N434 WeakPolarHBondContact CB-O 3.5Å; Y432-A460 HydrophobicContact CD2-CB 4.02Å; Y432-A460 HydrophobicContact CE2-CB 4.03Å; Y432-Q461 PolarHBondContact N-O 3.24Å; Y432-Q461 VanDerWaalsContact N-O 3.08Å; Y432-A462 VanDerWaalsContact O-CA 3.29Å; Y432-A462 WeakPolarHBondContact O-CA 3.29Å; Y432-A463 PolarHBondContact O-N 3.47Å; Y432-E469 HydrophobicContact CD1-CG 3.64Å; Y432-E469 VanDerWaalsContact CD1-OE1 3.28Å; Y432-E469 WeakPolarHBondContact CD1-OE1 3.21Å; Y432-E469 HydrophobicContact CE1-CG 4.23Å; Y432-E469 HydrophobicContact CG-CG 4.21Å
433	G	98.9	Very high	97.5	Very high	35 Å²	35	51.9 Å²	51.9	36%	0.361	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-39.4	172.1	0	0	0	0	0	112.9	V399 A463 V464	V399-G433 PolarHBondContact O-N 2.87Å; G433-A463 WeakPolarHBondContact O-CB 3.29Å; G433-A463 PolarHBondContact O-N 3.42Å; G433-V464 PolarHBondContact O-N 3.02Å
434	N	98.9	Very high	97.5	Very high	24 Å²	24	55.1 Å²	55.1	13%	0.128	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	-179.4	178.4	63.2	51.5	0	0	0	110.9	Y432 A462 V464 L466 E469 T470	Y432-N434 WeakPolarHBondContact CB-O 3.5Å; N434-A462 VanDerWaalsContact C-CB 3.48Å; N434-A462 WeakPolarHBondContact O-CB 3.36Å; N434-V464 CarbonylContact C-O 3.59Å; N434-V464 WeakPolarHBondContact CA-O 3.44Å; N434-V464 HydrophobicContact CB-CB 3.83Å; N434-V464 WeakPolarHBondContact CB-O 3.47Å; N434-L466 HydrophobicContact CB-CD1 3.93Å; N434-L466 HydrophobicContact CB-CG 4.43Å; N434-E469 WeakPolarHBondContact O-CG 3.44Å; N434-E469 WeakPolarHBondContact OD1-CA 3.41Å; N434-T470 PolarHBondContact ND2-OG1 3.47Å; N434-T470 PolarHBondContact OD1-N 3.05Å; N434-T470 PolarHBondContact OD1-OG1 2.74Å
435	G	98.7	Very high	97.4	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	119.7	-171.1	174.4	0	0	0	0	0	115.4	G437 Y438 V464 L466	G435-G437 VanDerWaalsContact C-N 3.27Å; G435-G437 PolarHBondContact O-N 2.93Å; G435-Y438 PolarHBondContact O-N 3.27Å; G435-V464 PolarHBondContact N-O 3.33Å; G435-L466 CarbonylContact C-O 3.57Å; G435-L466 PolarHBondContact O-N 3.26Å
436	P	98.6	Very high	97.3	Very high	34 Å²	34	51.1 Å²	51.1	22%	0.221	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.6	-169.4	30	-37.1	0	0	0	114.3	E359 Y438 L466	E359-P436 WeakPolarHBondContact O-CG 3.35Å; P436-Y438 VanDerWaalsContact C-N 3.26Å; P436-Y438 PolarHBondContact O-N 3.03Å; P436-L466 WeakPolarHBondContact CA-O 3.23Å; P436-L466 VanDerWaalsContact N-O 3.08Å
437	G	98.1	Very high	97.2	Very high	8 Å²	8	52.4 Å²	52.4	8%	0.082	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-2.5	174.7	0	0	0	0	0	115.1	G435 K439 A460	G435-G437 VanDerWaalsContact C-N 3.27Å; G435-G437 PolarHBondContact O-N 2.93Å; G437-K439 PolarHBondContact O-N 2.75Å; G437-A460 WeakPolarHBondContact CA-O 3.22Å
438	Y	98.3	Very high	97.1	Very high	90 Å²	90	49.9 Å²	49.9	35%	0.353	26%	0.263	S	S	.	.			trans	-66	124.1	169.7	179	-82.2	0	0	0	110.1	G435 P436 L440 A462 A463 P465	G435-Y438 PolarHBondContact O-N 3.27Å; P436-Y438 VanDerWaalsContact C-N 3.26Å; P436-Y438 PolarHBondContact O-N 3.03Å; Y438-L440 HydrophobicContact CE1-CD1 4.48Å; Y438-L440 HydrophobicContact CE1-CG 4.07Å; Y438-A462 WeakPolarHBondContact CD2-O 3.28Å; Y438-A463 WeakPolarHBondContact CD2-O 3.44Å; Y438-A463 WeakPolarHBondContact CE2-O 3.42Å; Y438-P465 HydrophobicContact CD1-CB 3.63Å; Y438-P465 HydrophobicContact CD1-CG 3.9Å; Y438-P465 HydrophobicContact CE1-CB 4.39Å; Y438-P465 HydrophobicContact CE1-CG 4.19Å; Y438-P465 HydrophobicContact CG-CB 3.76Å; Y438-P465 HydrophobicContact CG-CG 4.08Å
439	K	95.3	Very high	96.8	Very high	118 Å²	118	52.4 Å²	52.4	51%	0.513	28%	0.281	S	S	.	.			trans	-151.5	130.9	-177.2	-170.2	-178.8	-179.7	-167.9	0	112.4	G437 E446	G437-K439 PolarHBondContact O-N 2.75Å; K439-E446 WeakPolarHBondContact CD-OE1 3.28Å; K439-E446 WeakPolarHBondContact CE-OE1 3.44Å; K439-E446 IonicContact NZ-OE1 3.34Å; K439-E446 PolarHBondContact NZ-OE1 2.84Å; K439-E446 IonicContact NZ-OE2 3.64Å
440	L	96.3	Very high	96.5	Very high	90 Å²	90	58 Å²	58	47%	0.471	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	133.6	167.8	-61.7	179.4	0	0	0	110.4	Y438 E444	Y438-L440 HydrophobicContact CE1-CD1 4.48Å; Y438-L440 HydrophobicContact CE1-CG 4.07Å; L440-E444 CarbonylContact C-O 3.57Å; L440-E444 VanDerWaalsContact CA-O 3.28Å; L440-E444 WeakPolarHBondContact CA-O 3.39Å
441	V	93.6	Very high	96.1	Very high	62 Å²	62	59.4 Å²	59.4	38%	0.376	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.6	172.7	177.3	0	0	0	0	107.3	G443 E444 E446	V441-G443 PolarHBondContact O-N 2.71Å; V441-G443 VanDerWaalsContact O-N 3.17Å; V441-E444 PolarHBondContact N-O 2.66Å; V441-E444 PolarHBondContact O-N 2.93Å; V441-E444 VanDerWaalsContact O-N 3.09Å; V441-E446 HydrophobicContact CG2-CB 3.94Å; V441-E446 HydrophobicContact CG2-CG 4.06Å; V441-E446 WeakPolarHBondContact CG2-OE1 3.33Å
442	K	94.1	Very high	95.9	Very high	207 Å²	207	63.3 Å²	63.3	90%	0.9	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	27.1	-174.2	-58.1	-179.9	178.4	178.5	0	114.5
443	G	95.9	Very high	95.6	Very high	61 Å²	61	65.3 Å²	65.3	63%	0.629	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	-4	-179.2	0	0	0	0	0	115.1	V441	V441-G443 PolarHBondContact O-N 2.71Å; V441-G443 VanDerWaalsContact O-N 3.17Å
444	E	96.6	Very high	95.2	Very high	118 Å²	118	69.1 Å²	69.1	55%	0.551	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	162.6	-179	-51.7	176.3	177.7	0	0	111.8	K425 L440 V441	K425-E444 VanDerWaalsContact NZ-CB 3.27Å; K425-E444 IonicContact NZ-OE2 2.67Å; K425-E444 PolarHBondContact NZ-OE2 2.79Å; L440-E444 CarbonylContact C-O 3.57Å; L440-E444 VanDerWaalsContact CA-O 3.28Å; L440-E444 WeakPolarHBondContact CA-O 3.39Å; V441-E444 PolarHBondContact N-O 2.66Å; V441-E444 PolarHBondContact O-N 2.93Å; V441-E444 VanDerWaalsContact O-N 3.09Å
445	R	97.1	Very high	95.1	Very high	63 Å²	63	72.9 Å²	72.9	24%	0.238	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	140.7	170.3	-169.3	179.1	66.3	92.7	-4.6	111.1	D423 K425 S426	D423-R445 VanDerWaalsContact CG-NH2 3.35Å; D423-R445 IonicContact OD1-CZ 3.62Å; D423-R445 IonicContact OD1-NE 3.56Å; D423-R445 IonicContact OD1-NH2 3.26Å; D423-R445 PolarHBondContact OD1-NH2 2.81Å; D423-R445 IonicContact OD2-CZ 3.61Å; D423-R445 IonicContact OD2-NE 3.13Å; D423-R445 PolarHBondContact OD2-NE 2.63Å; D423-R445 IonicContact OD2-NH2 3.65Å; D423-R445 PolarHBondContact OD2-NH2 3.32Å; D423-R445 VanDerWaalsContact OD2-NH2 3.11Å; K425-R445 WeakPolarHBondContact CD-O 3.11Å; K425-R445 PolarHBondContact NZ-O 3.34Å; K425-R445 PolarHBondContact O-NH2 3.08Å; S426-R445 PolarHBondContact O-NH1 3.08Å; S426-R445 PolarHBondContact O-NH2 2.92Å
446	E	95.4	Very high	94.9	Very high	24 Å²	24	76.5 Å²	76.5	11%	0.112	39%	0.387	C	S	.	.			trans	-67.7	140.1	173.8	-173.9	170.4	-89.4	0	0	111.6	K439 V441 A448 T451 Q461	K439-E446 WeakPolarHBondContact CD-OE1 3.28Å; K439-E446 WeakPolarHBondContact CE-OE1 3.44Å; K439-E446 IonicContact NZ-OE1 3.34Å; K439-E446 PolarHBondContact NZ-OE1 2.84Å; K439-E446 IonicContact NZ-OE2 3.64Å; V441-E446 HydrophobicContact CG2-CB 3.94Å; V441-E446 HydrophobicContact CG2-CG 4.06Å; V441-E446 WeakPolarHBondContact CG2-OE1 3.33Å; E446-A448 PolarHBondContact O-N 3.44Å; E446-T451 WeakPolarHBondContact OE2-CG2 3.28Å; E446-T451 PolarHBondContact OE2-OG1 3.46Å; E446-Q461 PolarHBondContact O-NE2 2.85Å
447	N	96.2	Very high	94.9	Very high	44 Å²	44	78.4 Å²	78.4	24%	0.235	40%	0.395	C	S	.	.			trans	-83.2	110.9	174.5	-178.3	11.5	0	0	0	110.4	K425 S426 S449 V450	K425-N447 HydrophobicContact CB-CB 3.87Å; K425-N447 HydrophobicContact CD-CB 4.14Å; K425-N447 HydrophobicContact CG-CB 3.84Å; S426-N447 VanDerWaalsContact CB-OD1 3.27Å; S426-N447 WeakPolarHBondContact CB-OD1 3.41Å; S426-N447 PolarHBondContact N-OD1 2.98Å; S426-N447 PolarHBondContact OG-OD1 3.28Å; N447-S449 PolarHBondContact ND2-OG 3.31Å; N447-S449 PolarHBondContact O-N 3.33Å; N447-S449 VanDerWaalsContact O-N 3.08Å; N447-S449 PolarHBondContact OD1-N 2.9Å; N447-S449 PolarHBondContact OD1-OG 3.11Å; N447-V450 HydrophobicContact CB-CG2 4.25Å; N447-V450 VanDerWaalsContact O-CG2 3.3Å; N447-V450 WeakPolarHBondContact O-CG2 3.37Å; N447-V450 PolarHBondContact O-N 2.98Å; N447-V450 VanDerWaalsContact O-N 3.13Å
448	A	94.6	Very high	94.9	Very high	0 Å²	0	79.6 Å²	79.6	0%	0	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-59.6	-26	-173	0	0	0	0	0	114.1	L415 S426 E446 V450 T451	L415-A448 HydrophobicContact CD2-CB 3.61Å; S426-A448 PolarHBondContact O-N 3.07Å; E446-A448 PolarHBondContact O-N 3.44Å; A448-V450 VanDerWaalsContact C-N 3.29Å; A448-V450 PolarHBondContact O-N 3.48Å; A448-T451 PolarHBondContact O-N 2.95Å; A448-T451 VanDerWaalsContact O-O 3.1Å
449	S	92.7	Very high	94.9	Very high	55 Å²	55	79 Å²	79	39%	0.385	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-75.6	-8	180	51.9	0	0	0	0	115.4	S426 N447	S426-S449 VanDerWaalsContact OG-CB 3.28Å; S426-S449 WeakPolarHBondContact OG-CB 3.48Å; S426-S449 PolarHBondContact OG-OG 3.09Å; N447-S449 PolarHBondContact ND2-OG 3.31Å; N447-S449 PolarHBondContact O-N 3.33Å; N447-S449 VanDerWaalsContact O-N 3.08Å; N447-S449 PolarHBondContact OD1-N 2.9Å; N447-S449 PolarHBondContact OD1-OG 3.11Å
450	V	91.8	Very high	95	Very high	120 Å²	120	73.5 Å²	73.5	73%	0.727	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-105.7	-0.5	167.9	-58.4	0	0	0	0	112.8	N447 A448	N447-V450 HydrophobicContact CB-CG2 4.25Å; N447-V450 VanDerWaalsContact O-CG2 3.3Å; N447-V450 WeakPolarHBondContact O-CG2 3.37Å; N447-V450 PolarHBondContact O-N 2.98Å; N447-V450 VanDerWaalsContact O-N 3.13Å; A448-V450 VanDerWaalsContact C-N 3.29Å; A448-V450 PolarHBondContact O-N 3.48Å
451	T	90.3	Very high	95.1	Very high	33 Å²	33	70.2 Å²	70.2	20%	0.202	36%	0.357	C	S	.	.	S	Bend	trans	-99.5	147.9	174	-57.1	0	0	0	0	109.5	E446 A448 Y453 Y458	E446-T451 WeakPolarHBondContact OE2-CG2 3.28Å; E446-T451 PolarHBondContact OE2-OG1 3.46Å; A448-T451 PolarHBondContact O-N 2.95Å; A448-T451 VanDerWaalsContact O-O 3.1Å; T451-Y453 WeakPolarHBondContact O-CD1 3.44Å; T451-Y453 PolarHBondContact O-N 2.7Å; T451-Y458 HydrophobicContact CG2-CD2 3.95Å; T451-Y458 HydrophobicContact CG2-CE2 3.61Å
452	K	93	Very high	95.4	Very high	135 Å²	135	68 Å²	68	59%	0.587	35%	0.345	S	S	*	.			trans	-78.8	66.8	178.4	-58.7	-178.6	179.1	176.4	0	111.8	E454 E455	K452-E454 PolarHBondContact O-N 3.15Å; K452-E455 HydrophobicContact CB-CG 3.98Å; K452-E455 HydrophobicContact CD-CG 4.03Å; K452-E455 WeakPolarHBondContact CD-OE1 3.2Å; K452-E455 WeakPolarHBondContact CD-OE2 3.34Å; K452-E455 WeakPolarHBondContact CE-OE1 3.47Å; K452-E455 IonicContact NZ-OE1 2.69Å; K452-E455 PolarHBondContact NZ-OE1 3.48Å; K452-E455 IonicContact NZ-OE2 2.62Å; K452-E455 PolarHBondContact O-N 3.33Å; K452-E455 VanDerWaalsContact O-N 3.11Å
453	Y	92.8	Very high	95.6	Very high	50 Å²	50	61.6 Å²	61.6	20%	0.196	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-15.8	-176.6	61	-92.4	0	0	0	114.2	F413 L415 T428 T451 Y458	F413-Y453 VanDerWaalsContact O-CD2 3.29Å; F413-Y453 WeakPolarHBondContact O-CD2 3.44Å; L415-Y453 HydrophobicContact CD1-CE1 3.97Å; L415-Y453 HydrophobicContact CD2-CD1 3.96Å; L415-Y453 HydrophobicContact CD2-CE1 4.08Å; L415-Y453 HydrophobicContact CD2-CG 4.37Å; L415-Y453 HydrophobicContact CG-CD1 4.27Å; L415-Y453 HydrophobicContact CG-CE1 3.87Å; L415-Y453 HydrophobicContact CG-CE2 4.49Å; T428-Y453 HydrophobicContact CG2-CG 4.27Å; T451-Y453 WeakPolarHBondContact O-CD1 3.44Å; T451-Y453 PolarHBondContact O-N 2.7Å; Y453-Y458 WeakPolarHBondContact O-CD1 3.24Å
454	E	90.6	Very high	95.7	Very high	116 Å²	116	62.5 Å²	62.5	54%	0.542	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-12.6	179.6	-54.2	-176.5	166.3	0	0	114.5	K363 K452	K363-E454 PolarHBondContact NZ-O 2.98Å; K452-E454 PolarHBondContact O-N 3.15Å
455	E	96.4	Very high	95.8	Very high	102 Å²	102	60.5 Å²	60.5	48%	0.477	32%	0.321	S	S	.	.	S	Bend	trans	-68.7	141.1	178.3	-77.5	-175.1	161.8	0	0	111.4	K452 N457 Y458	K452-E455 HydrophobicContact CB-CG 3.98Å; K452-E455 HydrophobicContact CD-CG 4.03Å; K452-E455 WeakPolarHBondContact CD-OE1 3.2Å; K452-E455 WeakPolarHBondContact CD-OE2 3.34Å; K452-E455 WeakPolarHBondContact CE-OE1 3.47Å; K452-E455 IonicContact NZ-OE1 2.69Å; K452-E455 PolarHBondContact NZ-OE1 3.48Å; K452-E455 IonicContact NZ-OE2 2.62Å; K452-E455 PolarHBondContact O-N 3.33Å; K452-E455 VanDerWaalsContact O-N 3.11Å; E455-N457 PolarHBondContact O-N 3.23Å; E455-Y458 VanDerWaalsContact O-CB 3.31Å; E455-Y458 WeakPolarHBondContact O-CB 3.12Å; E455-Y458 PolarHBondContact O-N 3.32Å
456	K	96.1	Very high	95.9	Very high	77 Å²	77	61.3 Å²	61.3	34%	0.335	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.4	-175.3	59	172.9	165.2	178.7	0	115.2	L316 D317	L316-K456 HydrophobicContact CB-CD 4.2Å; L316-K456 HydrophobicContact CD1-CB 3.97Å; L316-K456 PolarHBondContact O-NZ 3.31Å; D317-K456 VanDerWaalsContact OD1-CE 3.22Å; D317-K456 WeakPolarHBondContact OD1-CE 3.09Å; D317-K456 IonicContact OD1-NZ 2.67Å; D317-K456 PolarHBondContact OD1-NZ 3.04Å
457	N	97.3	Very high	96	Very high	73 Å²	73	66 Å²	66	39%	0.39	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	13.9	178.4	-73.5	-54	0	0	0	113.3	K361 Q364 E455 Q459	K361-N457 HydrophobicContact CD-CB 4.38Å; K361-N457 WeakPolarHBondContact CD-OD1 3.36Å; K361-N457 VanDerWaalsContact CE-OD1 3.29Å; K361-N457 WeakPolarHBondContact CE-OD1 3.44Å; K361-N457 PolarHBondContact NZ-OD1 3.29Å; Q364-N457 PolarHBondContact NE2-OD1 2.81Å; E455-N457 PolarHBondContact O-N 3.23Å; N457-Q459 PolarHBondContact O-N 3.42Å
458	Y	98	Very high	96.1	Very high	33 Å²	33	65.9 Å²	65.9	13%	0.129	37%	0.37	C	S	.	.			trans	-61.9	130.8	170.7	175	-113.9	0	0	0	110.5	T428 T451 Y453 E455 A460	T428-Y458 HydrophobicContact CG2-CE1 3.97Å; T451-Y458 HydrophobicContact CG2-CD2 3.95Å; T451-Y458 HydrophobicContact CG2-CE2 3.61Å; Y453-Y458 WeakPolarHBondContact O-CD1 3.24Å; E455-Y458 VanDerWaalsContact O-CB 3.31Å; E455-Y458 WeakPolarHBondContact O-CB 3.12Å; E455-Y458 PolarHBondContact O-N 3.32Å; Y458-A460 HydrophobicContact CE1-CB 4.18Å
459	Q	98.3	Very high	96.3	Very high	77 Å²	77	66 Å²	66	36%	0.36	37%	0.371	S	S	.	.			trans	-97.8	114.2	175.6	-59.5	-179.2	-70.3	0	0	108.1	E359 G360 K361 N457	E359-Q459 PolarHBondContact O-NE2 3.27Å; G360-Q459 WeakPolarHBondContact O-CA 3.18Å; K361-Q459 HydrophobicContact CG-CG 4.14Å; N457-Q459 PolarHBondContact O-N 3.42Å
460	A	98.3	Very high	96.6	Very high	4 Å²	4	65.9 Å²	65.9	3%	0.033	37%	0.368	C	S	.	.			trans	-68.8	148.3	-178	0	0	0	0	0	111.1	G360 I430 Y432 G437 Y458 A462	G360-A460 PolarHBondContact O-N 2.9Å; I430-A460 HydrophobicContact CG2-CB 3.72Å; Y432-A460 HydrophobicContact CD2-CB 4.02Å; Y432-A460 HydrophobicContact CE2-CB 4.03Å; G437-A460 WeakPolarHBondContact CA-O 3.22Å; Y458-A460 HydrophobicContact CE1-CB 4.18Å; A460-A462 PolarHBondContact O-N 3.38Å
461	Q	98.4	Very high	96.9	Very high	21 Å²	21	61.4 Å²	61.4	10%	0.098	34%	0.339	C	S	.	.			trans	-61.5	136.7	-172.1	-64.5	-174.1	-13.8	0	0	111.7	L431 Y432 E446	L431-Q461 HydrophobicContact CD2-CB 3.79Å; L431-Q461 WeakPolarHBondContact CD2-O 3.49Å; Y432-Q461 PolarHBondContact N-O 3.24Å; Y432-Q461 VanDerWaalsContact N-O 3.08Å; E446-Q461 PolarHBondContact O-NE2 2.85Å
462	A	98.7	Very high	97.3	Very high	14 Å²	14	60 Å²	60	12%	0.116	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	154.2	179.6	0	0	0	0	0	111.8	Y432 N434 Y438 A460	Y432-A462 VanDerWaalsContact O-CA 3.29Å; Y432-A462 WeakPolarHBondContact O-CA 3.29Å; N434-A462 VanDerWaalsContact C-CB 3.48Å; N434-A462 WeakPolarHBondContact O-CB 3.36Å; Y438-A462 WeakPolarHBondContact CD2-O 3.28Å; A460-A462 PolarHBondContact O-N 3.38Å
463	A	98.6	Very high	97.6	Very high	73 Å²	73	55.1 Å²	55.1	60%	0.603	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	-31.4	-178.4	0	0	0	0	0	114.2	Y432 G433 Y438	Y432-A463 PolarHBondContact O-N 3.47Å; G433-A463 WeakPolarHBondContact O-CB 3.29Å; G433-A463 PolarHBondContact O-N 3.42Å; Y438-A463 WeakPolarHBondContact CD2-O 3.44Å; Y438-A463 WeakPolarHBondContact CE2-O 3.42Å
464	V	98.7	Very high	97.9	Very high	81 Å²	81	56.5 Å²	56.5	49%	0.491	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	127.4	177	-178.4	0	0	0	0	110.9	G433 N434 G435 L466	G433-V464 PolarHBondContact O-N 3.02Å; N434-V464 CarbonylContact C-O 3.59Å; N434-V464 WeakPolarHBondContact CA-O 3.44Å; N434-V464 HydrophobicContact CB-CB 3.83Å; N434-V464 WeakPolarHBondContact CB-O 3.47Å; G435-V464 PolarHBondContact N-O 3.33Å; V464-L466 PolarHBondContact O-N 2.76Å
465	P	98.4	Very high	98.3	Very high	76 Å²	76	53.4 Å²	53.4	49%	0.494	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	126.8	178.8	26.5	-31.6	0	0	0	112.3	Y438	Y438-P465 HydrophobicContact CD1-CB 3.63Å; Y438-P465 HydrophobicContact CD1-CG 3.9Å; Y438-P465 HydrophobicContact CE1-CB 4.39Å; Y438-P465 HydrophobicContact CE1-CG 4.19Å; Y438-P465 HydrophobicContact CG-CB 3.76Å; Y438-P465 HydrophobicContact CG-CG 4.08Å
466	L	98.6	Very high	98.4	Very high	79 Å²	79	48.5 Å²	48.5	41%	0.414	29%	0.292	S	S	.	.			trans	-141.1	161.2	168.5	-65.1	175.6	0	0	0	109.6	N434 G435 P436 V464 A468 T470	N434-L466 HydrophobicContact CB-CD1 3.93Å; N434-L466 HydrophobicContact CB-CG 4.43Å; G435-L466 CarbonylContact C-O 3.57Å; G435-L466 PolarHBondContact O-N 3.26Å; P436-L466 WeakPolarHBondContact CA-O 3.23Å; P436-L466 VanDerWaalsContact N-O 3.08Å; V464-L466 PolarHBondContact O-N 2.76Å; L466-A468 VanDerWaalsContact C-N 3.31Å; L466-A468 WeakPolarHBondContact CB-O 3.27Å; L466-T470 HydrophobicContact CD1-CG2 3.76Å
467	S	98.1	Very high	98.5	Very high	124 Å²	124	45.5 Å²	45.5	87%	0.867	28%	0.281	S	S	*	.	S	Bend	trans	-72.1	-26.2	176	51	0	0	0	0	113.5
468	A	98.6	Very high	98.6	Very high	40 Å²	40	42 Å²	42	33%	0.331	26%	0.263	S	S	.	.	S	Bend	trans	-136.6	148.4	167.9	0	0	0	0	0	107.9	H358 L466	H358-A468 HydrophobicContact CB-CB 4.37Å; H358-A468 CarbonylContact O-C 3.57Å; H358-A468 WeakPolarHBondContact O-CA 3.33Å; L466-A468 VanDerWaalsContact C-N 3.31Å; L466-A468 WeakPolarHBondContact CB-O 3.27Å
469	E	98.8	Very high	98.7	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.009	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-69.4	158.4	170.2	-177.8	-92.5	-166.6	0	0	111.1	H357 H358 H398 V399 Y432 N434	H357-E469 WeakPolarHBondContact O-CB 3.49Å; H358-E469 PolarHBondContact CE1-O 3.11Å; H358-E469 PolarHBondContact ND1-O 3.08Å; H358-E469 PolarHBondContact O-N 3.24Å; H398-E469 WeakPolarHBondContact CB-OE1 3.43Å; H398-E469 IonicContact CE1-OE2 3.11Å; H398-E469 IonicContact CG-OE1 2.74Å; H398-E469 IonicContact CG-OE2 3.75Å; H398-E469 IonicContact ND1-OE1 2.77Å; H398-E469 IonicContact ND1-OE2 3.32Å; H398-E469 PolarHBondContact ND1-OE2 2.77Å; V399-E469 WeakPolarHBondContact CA-OE1 3.4Å; V399-E469 HydrophobicContact CG2-CG 3.71Å; V399-E469 WeakPolarHBondContact CG2-OE1 3.43Å; V399-E469 PolarHBondContact N-OE1 2.73Å; Y432-E469 HydrophobicContact CD1-CG 3.64Å; Y432-E469 VanDerWaalsContact CD1-OE1 3.28Å; Y432-E469 WeakPolarHBondContact CD1-OE1 3.21Å; Y432-E469 HydrophobicContact CE1-CG 4.23Å; Y432-E469 HydrophobicContact CG-CG 4.21Å; N434-E469 WeakPolarHBondContact O-CG 3.44Å; N434-E469 WeakPolarHBondContact OD1-CA 3.41Å
470	T	98.8	Very high	98.7	Very high	54 Å²	54	37.6 Å²	37.6	33%	0.331	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-102.4	147.3	-178.7	65.7	0	0	0	0	113.6	V399 N434 L466	V399-T470 PolarHBondContact N-O 2.83Å; N434-T470 PolarHBondContact ND2-OG1 3.47Å; N434-T470 PolarHBondContact OD1-N 3.05Å; N434-T470 PolarHBondContact OD1-OG1 2.74Å; L466-T470 HydrophobicContact CD1-CG2 3.76Å
471	H	98.9	Very high	98.7	Very high	25 Å²	25	39.1 Å²	39.1	12%	0.116	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.8	155.6	169.5	-41.1	149	0	0	0	113.2	V125 P126 D354 H358 H396 S397 H398	V125-H471 HydrophobicContact CG1-CB 3.83Å; V125-H471 VanDerWaalsContact CG1-O 3.26Å; V125-H471 WeakPolarHBondContact CG1-O 3.44Å; P126-H471 PolarHBondContact O-ND1 2.89Å; D354-H471 IonicContact OD1-CD2 3.81Å; D354-H471 IonicContact OD1-NE2 3.47Å; H358-H471 AromaticContact CE1-CD2 3.46Å; H358-H471 PolarHBondContact CE1-CD2 2.98Å; H358-H471 VanDerWaalsContact CE1-CD2 3.46Å; H358-H471 AromaticContact CE1-NE2 3.23Å; H358-H471 PolarHBondContact CE1-NE2 2.85Å; H358-H471 AromaticContact NE2-NE2 3.44Å; H358-H471 PolarHBondContact NE2-NE2 3.44Å; H396-H471 HydrophobicContact CB-CB 4.43Å; H396-H471 AromaticContact CD2-ND1 3.76Å; H396-H471 AromaticContact CE1-CD2 3.2Å; H396-H471 PolarHBondContact CE1-CD2 2.89Å; H396-H471 AromaticContact CE1-CE1 3.59Å; H396-H471 AromaticContact CE1-CG 3.35Å; H396-H471 AromaticContact CE1-ND1 3.58Å; H396-H471 AromaticContact CE1-NE2 3.43Å; H396-H471 PolarHBondContact CE1-NE2 2.9Å; H396-H471 AromaticContact CG-CG 3.95Å; H396-H471 AromaticContact ND1-CD2 3.68Å; H396-H471 AromaticContact ND1-CG 3.49Å; H396-H471 AromaticContact ND1-ND1 3.96Å; H396-H471 AromaticContact NE2-CD2 3.78Å; H396-H471 AromaticContact NE2-CE1 3.33Å; H396-H471 PolarHBondContact NE2-CE1 2.67Å; H396-H471 VanDerWaalsContact NE2-CE1 3.33Å; H396-H471 AromaticContact NE2-CG 3.68Å; H396-H471 AromaticContact NE2-ND1 3.39Å; H396-H471 PolarHBondContact NE2-ND1 3.25Å; H396-H471 AromaticContact NE2-NE2 3.62Å; S397-H471 CarbonylContact O-C 3.58Å; S397-H471 VanDerWaalsContact O-CA 3.3Å; S397-H471 WeakPolarHBondContact O-CA 3.1Å; S397-H471 WeakPolarHBondContact O-CB 3.47Å; H398-H471 AromaticContact CE1-CD2 3.89Å
472	G	98.8	Very high	98.7	Very high	3 Å²	3	38.6 Å²	38.6	3%	0.031	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	134.1	169.3	0	0	0	0	0	110.5	S397 E474	S397-G472 PolarHBondContact N-O 2.76Å; S397-G472 PolarHBondContact O-N 2.99Å; G472-E474 VanDerWaalsContact CA-OE2 3.27Å; G472-E474 WeakPolarHBondContact CA-OE2 3.49Å
473	G	98.7	Very high	98.6	Very high	33 Å²	33	38 Å²	38	34%	0.34	24%	0.244	S	C	.	.			trans	-95.5	12.1	-178.1	0	0	0	0	0	114.6
474	E	98.9	Very high	98.6	Very high	80 Å²	80	34.7 Å²	34.7	37%	0.374	22%	0.216	S	C	.	.	S	Bend	trans	-76.4	169.8	174.2	76.3	-84.1	-158.6	0	0	113	T118 S397 G472	T118-E474 PolarHBondContact OG1-O 2.86Å; S397-E474 WeakPolarHBondContact CB-OE1 3.28Å; S397-E474 WeakPolarHBondContact CB-OE2 3.28Å; S397-E474 PolarHBondContact OG-OE1 2.67Å; G472-E474 VanDerWaalsContact CA-OE2 3.27Å; G472-E474 WeakPolarHBondContact CA-OE2 3.49Å
475	D	98.9	Very high	98.6	Very high	50 Å²	50	30.8 Å²	30.8	27%	0.267	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-68.2	135	176.6	-74.3	9.8	0	0	0	111.6	L115 A116 K117 V491	L115-D475 HydrophobicContact CB-CB 4.07Å; L115-D475 HydrophobicContact CD1-CB 4.37Å; L115-D475 HydrophobicContact CD2-CB 4.29Å; L115-D475 HydrophobicContact CG-CB 4.48Å; A116-D475 WeakPolarHBondContact O-CA 3.27Å; K117-D475 WeakPolarHBondContact CA-OD1 3.15Å; K117-D475 VanDerWaalsContact CG-OD1 3.23Å; K117-D475 WeakPolarHBondContact CG-OD1 3.13Å; D475-V491 VanDerWaalsContact OD2-CG1 3.32Å; D475-V491 WeakPolarHBondContact OD2-CG1 3.14Å
476	V	98.9	Very high	98.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	154	177.7	-62.1	0	0	0	0	111.6	L115 A116 T118 A394	L115-V476 CarbonylContact C-O 3.58Å; L115-V476 WeakPolarHBondContact CA-O 3.4Å; A116-V476 HydrophobicContact CB-CG2 4.13Å; A116-V476 PolarHBondContact N-O 3.11Å; A116-V476 PolarHBondContact O-N 3.41Å; A116-V476 VanDerWaalsContact O-N 3.13Å; T118-V476 HydrophobicContact CG2-CB 4.22Å; T118-V476 HydrophobicContact CG2-CG1 3.79Å; T118-V476 HydrophobicContact CG2-CG2 3.59Å; A394-V476 HydrophobicContact CB-CB 3.99Å; A394-V476 HydrophobicContact CB-CG1 4.02Å; A394-V476 HydrophobicContact CB-CG2 4.27Å; A394-V476 WeakPolarHBondContact O-CG2 3.33Å
477	A	98.9	Very high	98.6	Very high	13 Å²	13	26.9 Å²	26.9	11%	0.107	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	141.5	178.9	0	0	0	0	0	112.1	V82 T393 F479	V82-A477 HydrophobicContact CG2-CB 4.37Å; T393-A477 WeakPolarHBondContact CA-O 3.5Å; T393-A477 PolarHBondContact OG1-O 2.73Å; A477-F479 HydrophobicContact CB-CD2 4.29Å; A477-F479 HydrophobicContact CB-CE2 3.56Å; A477-F479 HydrophobicContact CB-CZ 3.79Å
478	V	98.9	Very high	98.6	Very high	1 Å²	1	21 Å²	21	1%	0.006	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.8	167.8	-171.3	0	0	0	0	107.7	V113 S114 A116 V391 V392 L488 I497	V113-V478 CarbonylContact C-O 3.56Å; V113-V478 VanDerWaalsContact CA-O 3.26Å; V113-V478 WeakPolarHBondContact CA-O 3.3Å; S114-V478 PolarHBondContact N-O 2.86Å; S114-V478 PolarHBondContact O-N 3.21Å; A116-V478 HydrophobicContact CB-CG2 3.61Å; V391-V478 HydrophobicContact CG1-CG1 3.57Å; V392-V478 CarbonylContact O-C 3.52Å; V392-V478 WeakPolarHBondContact O-CA 3.47Å; V478-L488 HydrophobicContact CG1-CD1 4.12Å; V478-L488 HydrophobicContact CG1-CD2 4.3Å; V478-I497 HydrophobicContact CG1-CD1 4.28Å; V478-I497 HydrophobicContact CG1-CG1 4.36Å; V478-I497 HydrophobicContact CG2-CD1 3.75Å; V478-I497 HydrophobicContact CG2-CG1 4.29Å
479	F	98.9	Very high	98.5	Very high	17 Å²	17	24.4 Å²	24.4	8%	0.075	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.6	176.5	-53	-98.3	0	0	0	109.4	V85 M107 F110 F112 V113 V391 V392 A477	V85-F479 HydrophobicContact CG1-CZ 4.23Å; M107-F479 HydrophobicContact CB-CD2 4.36Å; M107-F479 HydrophobicContact CB-CG 4.34Å; M107-F479 HydrophobicContact CG-CE2 4.32Å; M107-F479 HydrophobicContact CG-CZ 4.36Å; M107-F479 WeakPolarHBondContact O-CD1 3.36Å; M107-F479 HydrophobicContact SD-CD2 4.43Å; M107-F479 HydrophobicContact SD-CE2 4Å; M107-F479 HydrophobicContact SD-CZ 4.39Å; F110-F479 HydrophobicContact CB-CB 3.9Å; F110-F479 HydrophobicContact CD2-CB 4.16Å; F110-F479 HydrophobicContact CG-CB 4.13Å; F112-F479 CarbonylContact O-C 3.43Å; F112-F479 WeakPolarHBondContact O-CA 3.41Å; V113-F479 HydrophobicContact CG2-CD1 3.81Å; V113-F479 HydrophobicContact CG2-CE1 4.3Å; V391-F479 CarbonylContact C-O 3.28Å; V391-F479 VanDerWaalsContact CA-O 3.31Å; V391-F479 WeakPolarHBondContact CA-O 3.44Å; V392-F479 HydrophobicContact CB-CB 4.18Å; V392-F479 HydrophobicContact CB-CD2 4.24Å; V392-F479 HydrophobicContact CG1-CD2 4.49Å; V392-F479 PolarHBondContact N-O 3.31Å; V392-F479 PolarHBondContact O-N 2.68Å; A477-F479 HydrophobicContact CB-CD2 4.29Å; A477-F479 HydrophobicContact CB-CE2 3.56Å; A477-F479 HydrophobicContact CB-CZ 3.79Å
480	A	98.8	Very high	98.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140	-175.7	0	0	0	0	0	113.6	F112 S390 V391 A485 L488	F112-A480 HydrophobicContact CB-CB 4.32Å; F112-A480 PolarHBondContact N-O 3.13Å; F112-A480 PolarHBondContact O-N 3.41Å; S390-A480 WeakPolarHBondContact O-CA 3.29Å; V391-A480 HydrophobicContact CG2-CB 4.46Å; A480-A485 HydrophobicContact CB-CB 3.84Å; A480-L488 HydrophobicContact CB-CB 4Å; A480-L488 HydrophobicContact CB-CD1 3.62Å; A480-L488 HydrophobicContact CB-CG 4.41Å
481	K	98.2	Very high	98.5	Very high	36 Å²	36	27.9 Å²	27.9	16%	0.157	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	148.9	171.8	77	-172.6	173.8	-162.4	0	112.3	F110 I385 L389 S390	F110-K481 HydrophobicContact CB-CB 4.41Å; F110-K481 HydrophobicContact CD1-CD 3.83Å; F110-K481 HydrophobicContact CD2-CB 3.81Å; F110-K481 HydrophobicContact CD2-CD 3.81Å; F110-K481 HydrophobicContact CD2-CG 3.65Å; F110-K481 HydrophobicContact CE1-CD 3.82Å; F110-K481 HydrophobicContact CE2-CB 4.33Å; F110-K481 HydrophobicContact CE2-CD 3.77Å; F110-K481 HydrophobicContact CE2-CG 3.66Å; F110-K481 HydrophobicContact CG-CB 4.12Å; F110-K481 HydrophobicContact CG-CD 3.84Å; F110-K481 HydrophobicContact CG-CG 4.13Å; F110-K481 HydrophobicContact CZ-CD 3.78Å; F110-K481 HydrophobicContact CZ-CG 4.18Å; I385-K481 HydrophobicContact CD1-CB 4.3Å; I385-K481 HydrophobicContact CD1-CD 4.47Å; I385-K481 HydrophobicContact CD1-CG 4.48Å; L389-K481 WeakPolarHBondContact CA-O 3.36Å; L389-K481 WeakPolarHBondContact CD1-O 3.45Å; S390-K481 PolarHBondContact N-O 2.82Å; S390-K481 PolarHBondContact O-N 3.1Å
482	G	98.2	Very high	98.5	Very high	10 Å²	10	29 Å²	29	10%	0.103	17%	0.17	C	C	.	.	S	Bend	trans	104.6	-163.4	-178.6	0	0	0	0	0	114	I385 T388 M484 A485	I385-G482 WeakPolarHBondContact O-CA 3.4Å; T388-G482 WeakPolarHBondContact O-CA 3.31Å; G482-M484 PolarHBondContact O-N 3.49Å; G482-A485 WeakPolarHBondContact O-CB 3.49Å; G482-A485 PolarHBondContact O-N 2.68Å
483	P	98.1	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	133.7	-174.3	-21.1	33.8	0	0	0	112.1	K67 A69 T388 A485	K67-P483 HydrophobicContact CB-CB 4.38Å; K67-P483 WeakPolarHBondContact O-CB 3.35Å; A69-P483 HydrophobicContact CB-CB 4.34Å; A69-P483 HydrophobicContact CB-CG 4.48Å; T388-P483 WeakPolarHBondContact O-CD 3.46Å; P483-A485 PolarHBondContact O-N 3.27Å; P483-A485 VanDerWaalsContact O-N 3.13Å
484	M	97.6	Very high	98.5	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.02	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	9.1	-174.5	-52.3	-62.1	-169.2	0	0	116.4	S65 N66 G482 H486 L487 Y503 A504	S65-M484 PolarHBondContact O-N 3.36Å; N66-M484 HydrophobicContact CB-CE 4.5Å; N66-M484 WeakPolarHBondContact O-CE 3.47Å; G482-M484 PolarHBondContact O-N 3.49Å; M484-H486 PolarHBondContact O-N 2.87Å; M484-H486 VanDerWaalsContact O-N 3.12Å; M484-L487 HydrophobicContact CB-CD1 4.02Å; M484-L487 HydrophobicContact CB-CG 4.43Å; M484-L487 WeakPolarHBondContact O-CB 3.04Å; M484-L487 WeakPolarHBondContact O-CG 3.43Å; M484-L487 PolarHBondContact O-N 2.78Å; M484-L487 VanDerWaalsContact O-N 3.07Å; M484-Y503 HydrophobicContact CE-CE1 4.13Å; M484-Y503 HydrophobicContact CG-CD1 4.46Å; M484-Y503 HydrophobicContact SD-CE1 4.3Å; M484-A504 HydrophobicContact CB-CB 3.78Å; M484-A504 HydrophobicContact CG-CB 3.93Å
485	A	98.4	Very high	98.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-58.3	-29.3	-178.5	0	0	0	0	0	113.8	F112 L389 A480 G482 P483 L487 L488	F112-A485 HydrophobicContact CD2-CB 3.57Å; F112-A485 HydrophobicContact CE2-CB 4.07Å; L389-A485 HydrophobicContact CD1-CB 3.79Å; A480-A485 HydrophobicContact CB-CB 3.84Å; G482-A485 WeakPolarHBondContact O-CB 3.49Å; G482-A485 PolarHBondContact O-N 2.68Å; P483-A485 PolarHBondContact O-N 3.27Å; P483-A485 VanDerWaalsContact O-N 3.13Å; A485-L487 PolarHBondContact O-N 2.7Å; A485-L487 VanDerWaalsContact O-N 3.1Å; A485-L488 PolarHBondContact O-N 3.05Å
486	H	98.1	Very high	98.5	Very high	28 Å²	28	28.4 Å²	28.4	13%	0.13	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-62	-12.8	176.6	63.1	-95.7	0	0	0	115.1	F64 N66 F112 M484 L488 H489	F64-H486 HydrophobicContact CD1-CB 3.53Å; F64-H486 AromaticContact CD1-CG 3.77Å; F64-H486 HydrophobicContact CE1-CB 3.93Å; N66-H486 PolarHBondContact ND2-CE1 3.42Å; F112-H486 HydrophobicContact CD1-CB 3.94Å; F112-H486 HydrophobicContact CD2-CB 4.36Å; F112-H486 HydrophobicContact CE1-CB 3.59Å; F112-H486 HydrophobicContact CE2-CB 4.04Å; F112-H486 HydrophobicContact CG-CB 4.31Å; F112-H486 HydrophobicContact CZ-CB 3.65Å; M484-H486 PolarHBondContact O-N 2.87Å; M484-H486 VanDerWaalsContact O-N 3.12Å; H486-L488 VanDerWaalsContact C-N 3.26Å; H486-H489 PolarHBondContact O-CD2 3.45Å
487	L	98.3	Very high	98.5	Very high	44 Å²	44	28.6 Å²	28.6	23%	0.23	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-73.6	-19.2	173.1	-59.5	-179.6	0	0	0	112.2	M484 A485 H489 Y496 V500 Y503	M484-L487 HydrophobicContact CB-CD1 4.02Å; M484-L487 HydrophobicContact CB-CG 4.43Å; M484-L487 WeakPolarHBondContact O-CB 3.04Å; M484-L487 WeakPolarHBondContact O-CG 3.43Å; M484-L487 PolarHBondContact O-N 2.78Å; M484-L487 VanDerWaalsContact O-N 3.07Å; A485-L487 PolarHBondContact O-N 2.7Å; A485-L487 VanDerWaalsContact O-N 3.1Å; L487-H489 PolarHBondContact O-CD2 2.83Å; L487-H489 PolarHBondContact O-N 3.33Å; L487-Y496 WeakPolarHBondContact O-CE1 3.47Å; L487-Y496 PolarHBondContact O-OH 2.9Å; L487-V500 HydrophobicContact CB-CG1 3.83Å; L487-V500 HydrophobicContact CB-CG2 4.24Å; L487-V500 HydrophobicContact CD1-CG1 4.28Å; L487-Y503 HydrophobicContact CD1-CD1 3.81Å; L487-Y503 HydrophobicContact CD1-CE1 3.83Å
488	L	98.4	Very high	98.5	Very high	1 Å²	1	28 Å²	28	1%	0.005	15%	0.15	C	C	.	.	S	Bend	trans	-87.1	81.4	173.5	-68.7	165	0	0	0	109.6	V391 V478 A480 A485 H486 Y496 I497 V500	V391-L488 HydrophobicContact CG1-CD1 4.16Å; V391-L488 HydrophobicContact CG2-CD1 3.69Å; V478-L488 HydrophobicContact CG1-CD1 4.12Å; V478-L488 HydrophobicContact CG1-CD2 4.3Å; A480-L488 HydrophobicContact CB-CB 4Å; A480-L488 HydrophobicContact CB-CD1 3.62Å; A480-L488 HydrophobicContact CB-CG 4.41Å; A485-L488 PolarHBondContact O-N 3.05Å; H486-L488 VanDerWaalsContact C-N 3.26Å; L488-Y496 HydrophobicContact CD2-CD1 3.99Å; L488-Y496 HydrophobicContact CD2-CE1 4.15Å; L488-I497 HydrophobicContact CD2-CG1 4.4Å; L488-V500 HydrophobicContact CD1-CG1 4.39Å; L488-V500 HydrophobicContact CD2-CB 4.32Å; L488-V500 HydrophobicContact CD2-CG2 4.01Å; L488-V500 HydrophobicContact CG-CB 4.36Å; L488-V500 HydrophobicContact CG-CG1 4.13Å; L488-V500 HydrophobicContact CG-CG2 4.33Å
489	H	97.8	Very high	98.5	Very high	112 Å²	112	30.5 Å²	30.5	52%	0.519	16%	0.162	S	C	.	.			trans	-134.6	158.1	179.5	73.2	90.2	0	0	0	112.1	S114 H486 L487 Q492	S114-H489 VanDerWaalsContact CB-C 3.47Å; H486-H489 PolarHBondContact O-CD2 3.45Å; L487-H489 PolarHBondContact O-CD2 2.83Å; L487-H489 PolarHBondContact O-N 3.33Å; H489-Q492 PolarHBondContact O-NE2 3.14Å
490	G	98.6	Very high	98.5	Very high	46 Å²	46	29.8 Å²	29.8	47%	0.474	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.5	-141.1	174.9	0	0	0	0	0	114.1	S114 L115	S114-G490 CarbonylContact C-O 3.42Å; S114-G490 VanDerWaalsContact CA-O 3.3Å; S114-G490 WeakPolarHBondContact CA-O 3.49Å; S114-G490 VanDerWaalsContact CB-O 3.24Å; S114-G490 WeakPolarHBondContact CB-O 3.29Å; L115-G490 PolarHBondContact N-O 3.05Å
491	V	98.8	Very high	98.5	Very high	82 Å²	82	29.9 Å²	29.9	50%	0.497	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.2	175.9	-173	0	0	0	0	108.4	L115 K117 D475	L115-V491 HydrophobicContact CB-CG1 4.22Å; L115-V491 HydrophobicContact CB-CG2 4.25Å; L115-V491 HydrophobicContact CD1-CG2 4.35Å; K117-V491 HydrophobicContact CD-CG1 4.34Å; K117-V491 HydrophobicContact CG-CG1 4.22Å; D475-V491 VanDerWaalsContact OD2-CG1 3.32Å; D475-V491 WeakPolarHBondContact OD2-CG1 3.14Å
492	Q	98.8	Very high	98.5	Very high	49 Å²	49	28.1 Å²	28.1	23%	0.229	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	163.1	-170	-59.5	-64.3	-13.7	0	0	111.2	L115 K117 H489 Y496	L115-Q492 PolarHBondContact O-N 3.04Å; K117-Q492 VanDerWaalsContact CE-O 3.32Å; K117-Q492 WeakPolarHBondContact CE-O 3.26Å; K117-Q492 PolarHBondContact N-O 2.71Å; H489-Q492 PolarHBondContact O-NE2 3.14Å; Q492-Y496 HydrophobicContact CB-CD1 3.97Å; Q492-Y496 HydrophobicContact CB-CG 4.44Å; Q492-Y496 HydrophobicContact CG-CD1 3.7Å; Q492-Y496 HydrophobicContact CG-CE1 4.07Å
493	E	98.9	Very high	98.5	Very high	46 Å²	46	31 Å²	31	22%	0.215	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	139.6	159.8	-68.3	-59.2	149.2	0	0	109.4	K117 Y119 K140 N495 Y496	K117-E493 WeakPolarHBondContact CE-OE1 3.35Å; K117-E493 IonicContact NZ-OE1 3.85Å; K117-E493 PolarHBondContact NZ-OE1 3.1Å; Y119-E493 WeakPolarHBondContact CE1-OE2 3.06Å; Y119-E493 PolarHBondContact OH-OE1 3.04Å; Y119-E493 PolarHBondContact OH-OE2 2.95Å; K140-E493 VanDerWaalsContact CE-OE2 3.3Å; K140-E493 WeakPolarHBondContact CE-OE2 3.34Å; K140-E493 IonicContact NZ-OE2 3.5Å; K140-E493 PolarHBondContact NZ-OE2 3.07Å; E493-N495 WeakPolarHBondContact CB-OD1 3.4Å; E493-N495 PolarHBondContact O-N 3.27Å; E493-Y496 WeakPolarHBondContact O-CB 3.12Å; E493-Y496 PolarHBondContact O-N 2.85Å
494	Q	98.8	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.4	179	179	177.8	70.1	0	0	113.7	A116 K117 T131 A134 Y135 D395 Y496 I497	A116-Q494 HydrophobicContact CB-CB 4.2Å; K117-Q494 WeakPolarHBondContact O-CB 3.45Å; K117-Q494 PolarHBondContact O-N 2.93Å; T131-Q494 VanDerWaalsContact CA-OE1 3.3Å; T131-Q494 VanDerWaalsContact CB-OE1 3.23Å; A134-Q494 HydrophobicContact CB-CG 4.28Å; Y135-Q494 HydrophobicContact CD1-CG 4.32Å; D395-Q494 PolarHBondContact O-NE2 2.82Å; Q494-Y496 PolarHBondContact O-N 2.89Å; Q494-Y496 VanDerWaalsContact O-N 3.17Å; Q494-I497 HydrophobicContact CG-CD1 4.4Å; Q494-I497 WeakPolarHBondContact O-CG1 3.43Å; Q494-I497 PolarHBondContact O-N 2.91Å
495	N	98.9	Very high	98.5	Very high	38 Å²	38	30.9 Å²	30.9	20%	0.203	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-5.9	178	79.6	-65.1	0	0	0	114.5	A134 G138 K140 E493 P498 H499	A134-N495 HydrophobicContact CB-CB 3.94Å; A134-N495 WeakPolarHBondContact O-CA 3.44Å; G138-N495 WeakPolarHBondContact CA-O 3.47Å; G138-N495 PolarHBondContact O-ND2 3.07Å; K140-N495 HydrophobicContact CG-CB 4.21Å; E493-N495 WeakPolarHBondContact CB-OD1 3.4Å; E493-N495 PolarHBondContact O-N 3.27Å; N495-P498 WeakPolarHBondContact O-CD 3.28Å; N495-H499 PolarHBondContact O-CD2 3.25Å
496	Y	98.9	Very high	98.4	Very high	70 Å²	70	31.4 Å²	31.4	28%	0.275	16%	0.163	S	C	.	.	H	α-helix	trans	-70.1	-30.1	173.1	-177.3	-119	0	0	0	113	L487 L488 Q492 E493 Q494 H499 V500	L487-Y496 WeakPolarHBondContact O-CE1 3.47Å; L487-Y496 PolarHBondContact O-OH 2.9Å; L488-Y496 HydrophobicContact CD2-CD1 3.99Å; L488-Y496 HydrophobicContact CD2-CE1 4.15Å; Q492-Y496 HydrophobicContact CB-CD1 3.97Å; Q492-Y496 HydrophobicContact CB-CG 4.44Å; Q492-Y496 HydrophobicContact CG-CD1 3.7Å; Q492-Y496 HydrophobicContact CG-CE1 4.07Å; E493-Y496 WeakPolarHBondContact O-CB 3.12Å; E493-Y496 PolarHBondContact O-N 2.85Å; Q494-Y496 PolarHBondContact O-N 2.89Å; Q494-Y496 VanDerWaalsContact O-N 3.17Å; Y496-H499 WeakPolarHBondContact O-CB 3.13Å; Y496-H499 PolarHBondContact O-N 3.14Å; Y496-H499 VanDerWaalsContact O-N 3.08Å; Y496-V500 HydrophobicContact CD1-CG2 3.77Å; Y496-V500 HydrophobicContact CD2-CG2 4.21Å; Y496-V500 HydrophobicContact CE1-CG2 3.31Å; Y496-V500 HydrophobicContact CE2-CG2 3.79Å; Y496-V500 HydrophobicContact CG-CG2 4.2Å; Y496-V500 PolarHBondContact O-N 3.09Å
497	I	98.9	Very high	98.4	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.015	16%	0.157	C	C	.	.	H	α-helix	trans	-52.3	-55.7	-175.9	-61.9	171.2	0	0	0	112.7	L74 A116 V391 T393 V478 L488 Q494 H499 V500 M501	L74-I497 HydrophobicContact CD1-CG2 4.29Å; A116-I497 HydrophobicContact CB-CD1 4.43Å; V391-I497 HydrophobicContact CG1-CG2 4.17Å; T393-I497 HydrophobicContact CG2-CD1 4.14Å; V478-I497 HydrophobicContact CG1-CD1 4.28Å; V478-I497 HydrophobicContact CG1-CG1 4.36Å; V478-I497 HydrophobicContact CG2-CD1 3.75Å; V478-I497 HydrophobicContact CG2-CG1 4.29Å; L488-I497 HydrophobicContact CD2-CG1 4.4Å; Q494-I497 HydrophobicContact CG-CD1 4.4Å; Q494-I497 WeakPolarHBondContact O-CG1 3.43Å; Q494-I497 PolarHBondContact O-N 2.91Å; I497-H499 VanDerWaalsContact C-N 3.29Å; I497-H499 PolarHBondContact O-N 2.81Å; I497-V500 PolarHBondContact O-N 3.36Å; I497-M501 HydrophobicContact CG2-SD 4.15Å; I497-M501 WeakPolarHBondContact O-CG 3.3Å; I497-M501 PolarHBondContact O-N 3.47Å
498	P	98.8	Very high	98.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.006	15%	0.154	C	C	.	.	H	α-helix	trans	-70.3	-23.8	179.9	28	-35.8	0	0	0	112.6	A134 Y135 G138 I168 W171 N495 A502	A134-P498 WeakPolarHBondContact O-CG 3.49Å; Y135-P498 WeakPolarHBondContact O-CB 3.42Å; Y135-P498 VanDerWaalsContact O-CD 3.27Å; Y135-P498 WeakPolarHBondContact O-CD 3.29Å; Y135-P498 WeakPolarHBondContact O-CG 3.34Å; G138-P498 VanDerWaalsContact CA-CG 3.5Å; I168-P498 HydrophobicContact CB-CB 4.23Å; I168-P498 HydrophobicContact CD1-CB 4.28Å; I168-P498 HydrophobicContact CG2-CB 4.38Å; W171-P498 HydrophobicContact CZ3-CB 4.41Å; N495-P498 WeakPolarHBondContact O-CD 3.28Å; P498-A502 WeakPolarHBondContact O-CB 3.16Å; P498-A502 PolarHBondContact O-N 3.48Å
499	H	98.7	Very high	97.9	Very high	53 Å²	53	36.5 Å²	36.5	25%	0.245	19%	0.19	C	C	.	.	H	α-helix	trans	-67.3	-43.6	173.1	-71.8	-57.4	0	0	0	111.4	G138 N495 Y496 I497 A502 Y503 N510	G138-H499 PolarHBondContact O-NE2 3.13Å; N495-H499 PolarHBondContact O-CD2 3.25Å; Y496-H499 WeakPolarHBondContact O-CB 3.13Å; Y496-H499 PolarHBondContact O-N 3.14Å; Y496-H499 VanDerWaalsContact O-N 3.08Å; I497-H499 VanDerWaalsContact C-N 3.29Å; I497-H499 PolarHBondContact O-N 2.81Å; H499-A502 PolarHBondContact O-N 3.31Å; H499-Y503 VanDerWaalsContact O-CB 3.26Å; H499-Y503 WeakPolarHBondContact O-CB 3.27Å; H499-Y503 PolarHBondContact O-N 2.82Å; H499-N510 PolarHBondContact O-ND2 3.22Å
500	V	98.5	Very high	97.4	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-48.3	173.2	177.7	0	0	0	0	111.3	L487 L488 Y496 I497 A502 Y503 A504	L487-V500 HydrophobicContact CB-CG1 3.83Å; L487-V500 HydrophobicContact CB-CG2 4.24Å; L487-V500 HydrophobicContact CD1-CG1 4.28Å; L488-V500 HydrophobicContact CD1-CG1 4.39Å; L488-V500 HydrophobicContact CD2-CB 4.32Å; L488-V500 HydrophobicContact CD2-CG2 4.01Å; L488-V500 HydrophobicContact CG-CB 4.36Å; L488-V500 HydrophobicContact CG-CG1 4.13Å; L488-V500 HydrophobicContact CG-CG2 4.33Å; Y496-V500 HydrophobicContact CD1-CG2 3.77Å; Y496-V500 HydrophobicContact CD2-CG2 4.21Å; Y496-V500 HydrophobicContact CE1-CG2 3.31Å; Y496-V500 HydrophobicContact CE2-CG2 3.79Å; Y496-V500 HydrophobicContact CG-CG2 4.2Å; Y496-V500 PolarHBondContact O-N 3.09Å; I497-V500 PolarHBondContact O-N 3.36Å; V500-A502 VanDerWaalsContact C-N 3.31Å; V500-A502 PolarHBondContact O-N 2.99Å; V500-Y503 WeakPolarHBondContact O-CB 3.38Å; V500-Y503 PolarHBondContact O-N 2.97Å; V500-A504 WeakPolarHBondContact O-CB 3.5Å; V500-A504 PolarHBondContact O-N 2.67Å
501	M	98.8	Very high	96.8	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-62.4	-38.9	179.5	-66.8	-177.7	76.2	0	0	111.9	L72 L74 I168 Y345 L389 V391 I497 A505	L72-M501 HydrophobicContact CB-CE 4.02Å; L72-M501 HydrophobicContact CD1-CB 4.3Å; L72-M501 HydrophobicContact CD2-CB 4.19Å; L72-M501 HydrophobicContact CD2-CE 4.3Å; L74-M501 HydrophobicContact CB-CE 4.05Å; L74-M501 HydrophobicContact CB-SD 4.27Å; L74-M501 HydrophobicContact CD1-SD 4.29Å; I168-M501 HydrophobicContact CD1-CB 3.4Å; Y345-M501 HydrophobicContact CE2-CE 4.16Å; L389-M501 HydrophobicContact CD2-CB 4.41Å; L389-M501 HydrophobicContact CD2-CG 4.03Å; V391-M501 HydrophobicContact CB-SD 4.12Å; V391-M501 HydrophobicContact CG2-CE 4.28Å; V391-M501 HydrophobicContact CG2-CG 3.92Å; V391-M501 HydrophobicContact CG2-SD 3.82Å; I497-M501 HydrophobicContact CG2-SD 4.15Å; I497-M501 WeakPolarHBondContact O-CG 3.3Å; I497-M501 PolarHBondContact O-N 3.47Å; M501-A505 PolarHBondContact O-N 2.85Å
502	A	98.4	Very high	95.9	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-69	-37.4	175.8	0	0	0	0	0	112.9	I168 W171 P498 H499 V500 C506 I507	I168-A502 HydrophobicContact CD1-CB 4.35Å; W171-A502 HydrophobicContact CE3-CB 3.61Å; W171-A502 HydrophobicContact CZ3-CB 3.69Å; P498-A502 WeakPolarHBondContact O-CB 3.16Å; P498-A502 PolarHBondContact O-N 3.48Å; H499-A502 PolarHBondContact O-N 3.31Å; V500-A502 VanDerWaalsContact C-N 3.31Å; V500-A502 PolarHBondContact O-N 2.99Å; A502-C506 PolarHBondContact O-N 3.08Å; A502-I507 HydrophobicContact CB-CG1 3.87Å; A502-I507 PolarHBondContact O-N 3.17Å
503	Y	98.2	Very high	95	Very high	70 Å²	70	38.3 Å²	38.3	28%	0.275	18%	0.184	S	C	.	.	H	α-helix	trans	-62.9	-49.8	173.4	-179.2	-92.8	0	0	0	111.3	M484 L487 H499 V500 A505 C506 N510 H513	M484-Y503 HydrophobicContact CE-CE1 4.13Å; M484-Y503 HydrophobicContact CG-CD1 4.46Å; M484-Y503 HydrophobicContact SD-CE1 4.3Å; L487-Y503 HydrophobicContact CD1-CD1 3.81Å; L487-Y503 HydrophobicContact CD1-CE1 3.83Å; H499-Y503 VanDerWaalsContact O-CB 3.26Å; H499-Y503 WeakPolarHBondContact O-CB 3.27Å; H499-Y503 PolarHBondContact O-N 2.82Å; V500-Y503 WeakPolarHBondContact O-CB 3.38Å; V500-Y503 PolarHBondContact O-N 2.97Å; Y503-A505 VanDerWaalsContact C-N 3.29Å; Y503-A505 PolarHBondContact O-N 3Å; Y503-C506 PolarHBondContact O-N 2.96Å; Y503-N510 HydrophobicContact CD2-CB 4.3Å; Y503-N510 PolarHBondContact N-ND2 2.88Å; Y503-H513 AromaticContact CE1-NE2 3.99Å; Y503-H513 HydrophobicContact CE2-CB 4.13Å; Y503-H513 AromaticContact CE2-CD2 3.86Å; Y503-H513 AromaticContact CE2-CG 3.64Å; Y503-H513 AromaticContact CE2-ND1 3.86Å; Y503-H513 AromaticContact CZ-CD2 3.64Å; Y503-H513 AromaticContact CZ-CE1 3.68Å; Y503-H513 AromaticContact CZ-CG 3.8Å; Y503-H513 AromaticContact CZ-ND1 3.81Å; Y503-H513 AromaticContact CZ-NE2 3.6Å; Y503-H513 PolarHBondContact OH-CE1 3.04Å; Y503-H513 PolarHBondContact OH-ND1 3.41Å; Y503-H513 PolarHBondContact OH-NE2 3.45Å
504	A	97.9	Very high	93.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56	-41.4	178.4	0	0	0	0	0	112.9	K68 A69 L389 M484 V500	K68-A504 CarbonylContact C-O 3.56Å; K68-A504 WeakPolarHBondContact CA-O 3.29Å; A69-A504 HydrophobicContact CB-CB 4.01Å; A69-A504 PolarHBondContact N-O 2.62Å; L389-A504 HydrophobicContact CD2-CB 3.53Å; M484-A504 HydrophobicContact CB-CB 3.78Å; M484-A504 HydrophobicContact CG-CB 3.93Å; V500-A504 WeakPolarHBondContact O-CB 3.5Å; V500-A504 PolarHBondContact O-N 2.67Å
505	A	97.8	Very high	92.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.008	21%	0.213	C	C	.	.	H	α-helix	trans	-88.4	-4.1	179.5	0	0	0	0	0	114.9	K68 A69 L72 M501 Y503 I507	K68-A505 VanDerWaalsContact CE-O 3.27Å; K68-A505 WeakPolarHBondContact CE-O 3.3Å; A69-A505 HydrophobicContact CB-CB 4.48Å; A69-A505 WeakPolarHBondContact O-CA 3.4Å; L72-A505 HydrophobicContact CD1-CB 3.71Å; L72-A505 HydrophobicContact CD2-CB 4.05Å; L72-A505 HydrophobicContact CG-CB 3.91Å; M501-A505 PolarHBondContact O-N 2.85Å; Y503-A505 VanDerWaalsContact C-N 3.29Å; Y503-A505 PolarHBondContact O-N 3Å; A505-I507 HydrophobicContact CB-CD1 4.2Å; A505-I507 HydrophobicContact CB-CG1 4.13Å; A505-I507 HydrophobicContact CB-CG2 4.09Å
506	C	96.5	Very high	90.4	Very high	11 Å²	11	48.6 Å²	48.6	7%	0.074	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	45.3	-175.5	-27.9	0	0	0	0	112.8	K68 A502 Y503 K511 C514	K68-C506 WeakPolarHBondContact CD-SG 3.37Å; K68-C506 WeakPolarHBondContact CE-SG 3.13Å; K68-C506 VanDerWaalsContact CG-SG 3.53Å; A502-C506 PolarHBondContact O-N 3.08Å; Y503-C506 PolarHBondContact O-N 2.96Å; C506-K511 WeakPolarHBondContact O-CA 3.48Å; C506-C514 HydrophobicContact CB-CB 3.71Å; C506-C514 WeakPolarHBondContact CB-SG 3.39Å; C506-C514 WeakPolarHBondContact SG-CB 3.2Å; C506-C514 CovalentContact SG-SG 2.01Å; C506-C514 PolarHBondContact SG-SG 3.05Å
507	I	97.1	Very high	88.3	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	25%	0.252	C	S	.	.			trans	-119.8	175.4	-177.5	65.5	175.6	0	0	0	111.5	L72 I168 W171 A172 A175 A502 A505 Q509 N510	L72-I507 HydrophobicContact CD1-CD1 3.86Å; I168-I507 HydrophobicContact CD1-CD1 4.49Å; I168-I507 HydrophobicContact CG1-CD1 3.9Å; W171-I507 HydrophobicContact CB-CB 4.41Å; W171-I507 HydrophobicContact CB-CD1 4.19Å; W171-I507 HydrophobicContact CB-CG1 4.29Å; A172-I507 HydrophobicContact CB-CD1 3.98Å; A175-I507 HydrophobicContact CB-CB 4.15Å; A175-I507 HydrophobicContact CB-CG2 3.39Å; A502-I507 HydrophobicContact CB-CG1 3.87Å; A502-I507 PolarHBondContact O-N 3.17Å; A505-I507 HydrophobicContact CB-CD1 4.2Å; A505-I507 HydrophobicContact CB-CG1 4.13Å; A505-I507 HydrophobicContact CB-CG2 4.09Å; I507-Q509 PolarHBondContact O-N 3.25Å; I507-N510 PolarHBondContact O-N 3.41Å
508	G	94.6	Very high	85.7	Confident	15 Å²	15	58.6 Å²	58.6	16%	0.155	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	-124.3	-179.4	0	0	0	0	0	111.4	K511	G508-K511 VanDerWaalsContact O-CE 3.3Å; G508-K511 WeakPolarHBondContact O-CE 3.46Å
509	Q	92	Very high	82.8	Confident	164 Å²	164	61 Å²	61	77%	0.766	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-22.5	175.3	-59.9	-178.9	4	0	0	112.9	I507 K511	I507-Q509 PolarHBondContact O-N 3.25Å; Q509-K511 VanDerWaalsContact C-N 3.34Å; Q509-K511 PolarHBondContact O-N 3.3Å
510	N	88.1	Confident	80	Confident	45 Å²	45	63.2 Å²	63.2	24%	0.241	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	13.8	-168.2	-67.3	-49.5	0	0	0	115.2	H499 Y503 I507 N512 H513	H499-N510 PolarHBondContact O-ND2 3.22Å; Y503-N510 HydrophobicContact CD2-CB 4.3Å; Y503-N510 PolarHBondContact N-ND2 2.88Å; I507-N510 PolarHBondContact O-N 3.41Å; N510-N512 PolarHBondContact O-N 3.09Å; N510-N512 VanDerWaalsContact O-N 3.15Å; N510-H513 PolarHBondContact O-N 3.06Å
511	K	84.9	Confident	77.3	Confident	105 Å²	105	69.8 Å²	69.8	46%	0.457	38%	0.384	S	S	.	.	H	α-helix	trans	-53	-38.9	-175.4	-68.1	172.1	-176.5	174.6	0	113.6	C506 G508 Q509	C506-K511 WeakPolarHBondContact O-CA 3.48Å; G508-K511 VanDerWaalsContact O-CE 3.3Å; G508-K511 WeakPolarHBondContact O-CE 3.46Å; Q509-K511 VanDerWaalsContact C-N 3.34Å; Q509-K511 PolarHBondContact O-N 3.3Å
512	N	80.1	Confident	74.2	Confident	123 Å²	123	72.8 Å²	72.8	66%	0.658	42%	0.415	S	S	*	.	H	α-helix	trans	-78.4	-22.6	-171.1	-64.8	-5.1	0	0	0	114	N510 C514 M515	N510-N512 PolarHBondContact O-N 3.09Å; N510-N512 VanDerWaalsContact O-N 3.15Å; N512-C514 PolarHBondContact O-N 3.44Å; N512-M515 PolarHBondContact O-N 3.45Å
513	H	79.8	Confident	71.6	Confident	53 Å²	53	80.5 Å²	80.5	25%	0.245	46%	0.455	C	S	.	.	H	α-helix	trans	-55	-42.1	-177	170.8	64.6	0	0	0	112.1	Y503 N510	Y503-H513 AromaticContact CE1-NE2 3.99Å; Y503-H513 HydrophobicContact CE2-CB 4.13Å; Y503-H513 AromaticContact CE2-CD2 3.86Å; Y503-H513 AromaticContact CE2-CG 3.64Å; Y503-H513 AromaticContact CE2-ND1 3.86Å; Y503-H513 AromaticContact CZ-CD2 3.64Å; Y503-H513 AromaticContact CZ-CE1 3.68Å; Y503-H513 AromaticContact CZ-CG 3.8Å; Y503-H513 AromaticContact CZ-ND1 3.81Å; Y503-H513 AromaticContact CZ-NE2 3.6Å; Y503-H513 PolarHBondContact OH-CE1 3.04Å; Y503-H513 PolarHBondContact OH-ND1 3.41Å; Y503-H513 PolarHBondContact OH-NE2 3.45Å; N510-H513 PolarHBondContact O-N 3.06Å
514	C	74.4	Confident	68.5	Low	23 Å²	23	83.2 Å²	83.2	16%	0.155	48%	0.479	C	S	.	.	H	α-helix	trans	-83.6	-22.2	-175.6	-52	0	0	0	0	113.5	C506 N512 L516 K517	C506-C514 HydrophobicContact CB-CB 3.71Å; C506-C514 WeakPolarHBondContact CB-SG 3.39Å; C506-C514 WeakPolarHBondContact SG-CB 3.2Å; C506-C514 CovalentContact SG-SG 2.01Å; C506-C514 PolarHBondContact SG-SG 3.05Å; N512-C514 PolarHBondContact O-N 3.44Å; C514-L516 PolarHBondContact O-N 3.48Å; C514-K517 PolarHBondContact O-N 3.09Å
515	M	70.1	Confident	65.7	Low	136 Å²	136	88 Å²	88	67%	0.67	51%	0.51	S	S	*	.	H	α-helix	trans	-65.6	-24.6	177.3	-60.8	-61.7	-63.9	0	0	112	N512 K517	N512-M515 PolarHBondContact O-N 3.45Å; M515-K517 VanDerWaalsContact C-N 3.28Å; M515-K517 PolarHBondContact O-N 3.13Å
516	L	56.8	Low	62.7	Low	142 Å²	142	97 Å²	97	74%	0.743	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-2.1	-178.4	-64.3	171.3	0	0	0	114.4	C514	C514-L516 PolarHBondContact O-N 3.48Å
517	K	53.7	Low	59.8	Low	126 Å²	126	105.6 Å²	105.6	55%	0.548	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.6	-23.3	177.5	-73.5	-177.2	177	172.5	0	114.2	N66 C514 M515	N66-K517 PolarHBondContact O-NZ 2.93Å; C514-K517 PolarHBondContact O-N 3.09Å; M515-K517 VanDerWaalsContact C-N 3.28Å; M515-K517 PolarHBondContact O-N 3.13Å
518	D	44.1	Very low	56.9	Low	156 Å²	156	110 Å²	110	83%	0.834	62%	0.622	S	S	*	*	S	Bend	trans	-94.4	-6.1	178.8	-63.6	-34	0	0	0	113
519	G	39	Very low	54.1	Low	52 Å²	52	115 Å²	115	54%	0.536	66%	0.655	S	S	.	*	S	Bend	trans	-92.5	122.6	174.8	0	0	0	0	0	112.3
520	A	39.6	Very low	51.6	Low	100 Å²	100	114.7 Å²	114.7	83%	0.826	66%	0.657	S	S	*	*			trans	-60	159.1	165.2	0	0	0	0	0	111.1	G522	A520-G522 VanDerWaalsContact C-N 3.29Å; A520-G522 PolarHBondContact O-N 2.69Å
521	V	40.9	Very low	49.1	Very low	141 Å²	141	116.7 Å²	116.7	86%	0.855	68%	0.679	S	S	*	*			trans	-67.3	82	-175.5	-175.5	0	0	0	0	111.8	L523	V521-L523 PolarHBondContact O-N 2.78Å
522	G	35.1	Very low	46.7	Very low	63 Å²	63	117.4 Å²	117.4	65%	0.649	69%	0.692	S	S	*	*			trans	-82.1	92.6	170.6	0	0	0	0	0	110.5	A520 T524	A520-G522 VanDerWaalsContact C-N 3.29Å; A520-G522 PolarHBondContact O-N 2.69Å; G522-T524 PolarHBondContact O-N 3.39Å
523	L	42.6	Very low	44.6	Very low	162 Å²	162	119.9 Å²	119.9	85%	0.848	70%	0.704	S	S	*	*			trans	-63.2	95.8	170.1	-82.9	162.7	0	0	0	110.4	V521	V521-L523 PolarHBondContact O-N 2.78Å
524	T	33.3	Very low	42.5	Very low	127 Å²	127	124.7 Å²	124.7	78%	0.779	73%	0.731	S	S	*	*			trans	-82.5	121.2	166.8	38.3	0	0	0	0	109.7	G522 M526	G522-T524 PolarHBondContact O-N 3.39Å; T524-M526 PolarHBondContact O-N 2.89Å
525	P	39.8	Very low	40.6	Very low	101 Å²	101	129.4 Å²	129.4	66%	0.656	76%	0.759	S	S	*	*			trans	-72.6	131.2	179.2	29	-33.5	0	0	0	110.6	F527	P525-F527 HydrophobicContact CG-CE2 4.24Å; P525-F527 PolarHBondContact O-N 3.01Å; P525-F527 VanDerWaalsContact O-N 3.09Å
526	M	35.3	Very low	38.9	Very low	191 Å²	191	129.6 Å²	129.6	94%	0.941	77%	0.767	S	S	*	*			trans	-67.5	105.5	164.9	-82.5	-168.1	173.1	0	0	109.6	T524 S528	T524-M526 PolarHBondContact O-N 2.89Å; M526-S528 PolarHBondContact O-N 3.41Å; M526-S528 VanDerWaalsContact O-N 3.13Å
527	F	34.9	Very low	37.9	Very low	190 Å²	190	128.1 Å²	128.1	83%	0.833	77%	0.765	S	S	*	*			trans	-70.7	101.8	159.5	-84.9	-86.6	0	0	0	108.7	P525 S529	P525-F527 HydrophobicContact CG-CE2 4.24Å; P525-F527 PolarHBondContact O-N 3.01Å; P525-F527 VanDerWaalsContact O-N 3.09Å; F527-S529 PolarHBondContact O-N 3.49Å
528	S	34.9	Very low	36.9	Very low	95 Å²	95	134 Å²	134	66%	0.664	78%	0.783	S	S	*	*			trans	-77.4	115.7	174.9	-170.2	0	0	0	0	110.2	M526 I530	M526-S528 PolarHBondContact O-N 3.41Å; M526-S528 VanDerWaalsContact O-N 3.13Å; S528-I530 PolarHBondContact O-N 3.46Å
529	S	36.9	Very low	36.7	Very low	121 Å²	121	133.6 Å²	133.6	85%	0.846	78%	0.78	S	S	*	*			trans	-74.8	85.1	178.7	-59.6	0	0	0	0	111.7	F527	F527-S529 PolarHBondContact O-N 3.49Å
530	I	39.7	Very low	36.7	Very low	157 Å²	157	139.1 Å²	139.1	81%	0.805	80%	0.797	S	S	*	*			trans	-100	86.1	174.4	-56.7	-178	0	0	0	110.5	S528	S528-I530 PolarHBondContact O-N 3.46Å
531	A	35.8	Very low	36.5	Very low	86 Å²	86	144.2 Å²	144.2	71%	0.711	82%	0.824	S	S	*	*			trans	-157	138.7	161.6	0	0	0	0	0	106.5
532	T	33.4	Very low	36.3	Very low	120 Å²	120	144.4 Å²	144.4	74%	0.736	82%	0.822	S	S	*	*			cis	-151.9	131.6	18.8	-53.4	0	0	0	0	110.3
533	I	36.3	Very low	36.3	Very low	175 Å²	175	148.6 Å²	148.6	90%	0.897	83%	0.831	S	S	*	*			trans	-140.6	90.7	165.4	-54.3	-178.5	0	0	0	110.8
534	L	34.9	Very low	36	Very low	154 Å²	154	147.9 Å²	147.9	81%	0.806	83%	0.83	S	S	*	*			trans	-165	136.4	172.6	-87.8	175.5	0	0	0	105.1
535	T	34.5	Very low	36.1	Very low	122 Å²	122	149.1 Å²	149.1	75%	0.748	83%	0.833	S	S	*	*			cis	-152	128.4	2.8	38.2	0	0	0	0	111.7
536	V	34.3	Very low	35.9	Very low	140 Å²	140	152.1 Å²	152.1	85%	0.848	85%	0.845	S	S	*	*			trans	-158.5	136.5	152	-142.9	0	0	0	0	105.2
537	T	36	Very low	36	Very low	112 Å²	112	149.5 Å²	149.5	69%	0.687	84%	0.838	S	S	*	*			cis	-151.5	153.5	9.8	-23.8	0	0	0	0	108.8
538	R	33.4	Very low	36	Very low	248 Å²	248	146.6 Å²	146.6	94%	0.936	84%	0.839	S	S	*	*			trans	-166.4	137.2	133.6	-112.2	172.9	-169.7	-159.3	0.8	112.3
539	L	39.6	Very low	36.1	Very low	148 Å²	148	150.6 Å²	150.6	78%	0.775	85%	0.852	S	S	*	*			trans	-98.5	172.8	164.5	-73.8	101	0	0	0	110
540	L	40	Very low	36	Very low	168 Å²	168	153.1 Å²	153.1	88%	0.88	85%	0.852	S	S	*	*			trans	95.4	134.6	162.8	-58.5	166.7	0	0	0	116.8
541	C	34.6	Very low	35.7	Very low	207 Å²	207	152.7 Å²	152.7	100%	1.399	86%	0.857	S	S	*	*			trans	66.1	0	-177.3	-59.3	0	0	0	0	114.5

Retrieved 541 of 541 residues in 104.1 ms (Link to these results)

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