A0A096NGZ8_PAPAN Loading...

protein-serine/threonine phosphatase

AlphaFold DB (O14595), UniProt , Accession A0A096NGZ8, Species PAPAN (Papio anubis, Olive baboon), Gene CTDSP2, Length 271 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33	Very low	44.4	Very low	225 Å²	225	95 Å²	95	100%	1.108	49%	0.49	S	S	*	.				0	123.5	0	-68.4	-178	-160.1	0	0	105.8	H3	M1-H3 PolarHBondContact O-N 2.87Å
2	E	34.6	Very low	44.5	Very low	151 Å²	151	101.8 Å²	101.8	71%	0.706	51%	0.505	S	S	*	.			trans	-61	127.6	-163	-72.6	171.7	152.9	0	0	113.6	G4 F42	E2-G4 PolarHBondContact O-N 3.37Å; E2-F42 VanDerWaalsContact OE1-CE2 3.26Å; E2-F42 WeakPolarHBondContact OE1-CE2 2.99Å; E2-F42 VanDerWaalsContact OE1-CZ 3.25Å; E2-F42 WeakPolarHBondContact OE1-CZ 3.3Å
3	H	40.9	Very low	44.9	Very low	166 Å²	166	97.4 Å²	97.4	77%	0.769	48%	0.482	S	S	*	.			trans	-80.1	92.9	173.2	-63.2	-98.9	0	0	0	108.4	M1 S5	M1-H3 PolarHBondContact O-N 2.87Å; H3-S5 PolarHBondContact O-N 2.81Å
4	G	41.8	Very low	45	Very low	61 Å²	61	94.8 Å²	94.8	63%	0.629	47%	0.471	S	S	*	.			trans	-80	94.8	173.2	0	0	0	0	0	110.2	E2	E2-G4 PolarHBondContact O-N 3.37Å
5	S	50.8	Low	44.9	Very low	21 Å²	21	92.3 Å²	92.3	15%	0.147	47%	0.471	C	S	.	.			trans	-60.2	148.3	167.8	168.9	0	0	0	0	110	H3 I7 T8 E110	H3-S5 PolarHBondContact O-N 2.81Å; S5-I7 PolarHBondContact O-N 3Å; S5-T8 WeakPolarHBondContact O-CB 3.33Å; S5-T8 PolarHBondContact O-N 3.37Å; S5-T8 PolarHBondContact O-OG1 3.41Å; S5-T8 VanDerWaalsContact O-OG1 3.07Å; S5-E110 PolarHBondContact OG-OE2 2.69Å
6	I	52.2	Low	44.7	Very low	20 Å²	20	91.1 Å²	91.1	10%	0.103	47%	0.466	C	S	.	.	H	α-helix	trans	-51.8	-30.5	179.5	-62.5	-178.3	0	0	0	111.5	T8 Q9 F117 V138 Y169	I6-T8 PolarHBondContact O-N 3.12Å; I6-T8 VanDerWaalsContact O-N 3.1Å; I6-Q9 PolarHBondContact O-N 2.87Å; I6-F117 HydrophobicContact CB-CE2 4.21Å; I6-F117 HydrophobicContact CD1-CE2 4.32Å; I6-F117 HydrophobicContact CD1-CZ 4.42Å; I6-F117 HydrophobicContact CG1-CD2 4.07Å; I6-F117 HydrophobicContact CG1-CE2 3.67Å; I6-F117 HydrophobicContact CG1-CZ 4.21Å; I6-F117 HydrophobicContact CG2-CE2 4.11Å; I6-F117 HydrophobicContact CG2-CZ 4.21Å; I6-V138 HydrophobicContact CD1-CG1 3.5Å; I6-V138 HydrophobicContact CD1-CG2 4.2Å; I6-Y169 HydrophobicContact CD1-CD2 4.27Å; I6-Y169 HydrophobicContact CD1-CE2 3.96Å
7	I	52.6	Low	44.6	Very low	56 Å²	56	90.7 Å²	90.7	29%	0.287	47%	0.468	S	S	.	.	H	α-helix	trans	-52.7	-33.4	174.7	-60	173.5	0	0	0	111.8	S5 D109	S5-I7 PolarHBondContact O-N 3Å; I7-D109 HydrophobicContact CD1-CB 4.45Å
8	T	50.1	Low	44.6	Very low	81 Å²	81	93.8 Å²	93.8	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-77.3	-32.9	-173.8	-40.2	0	0	0	0	113.1	S5 I6	S5-T8 WeakPolarHBondContact O-CB 3.33Å; S5-T8 PolarHBondContact O-N 3.37Å; S5-T8 PolarHBondContact O-OG1 3.41Å; S5-T8 VanDerWaalsContact O-OG1 3.07Å; I6-T8 PolarHBondContact O-N 3.12Å; I6-T8 VanDerWaalsContact O-N 3.1Å
9	Q	44.4	Very low	44.5	Very low	119 Å²	119	93.9 Å²	93.9	56%	0.556	49%	0.49	S	S	*	.	H	α-helix	trans	-77.6	-29.9	-175.5	-74.3	-171.5	-15.9	0	0	112.6	I6 R11 R12	I6-Q9 PolarHBondContact O-N 2.87Å; Q9-R11 PolarHBondContact O-N 3.34Å; Q9-R12 VanDerWaalsContact O-CB 3.29Å; Q9-R12 WeakPolarHBondContact O-CB 3.18Å; Q9-R12 PolarHBondContact O-N 2.83Å
10	A	42.4	Very low	44.7	Very low	9 Å²	9	98 Å²	98	7%	0.074	50%	0.504	C	S	.	.	H	α-helix	trans	-73.1	-16.5	-179.4	0	0	0	0	0	113.5	R12 E13 D14 L166	A10-R12 PolarHBondContact O-N 3.2Å; A10-R12 VanDerWaalsContact O-N 3.12Å; A10-E13 WeakPolarHBondContact O-CB 3.49Å; A10-E13 PolarHBondContact O-N 3.18Å; A10-D14 PolarHBondContact O-N 3.38Å; A10-L166 HydrophobicContact CB-CD1 4.27Å
11	R	46.2	Very low	44.6	Very low	136 Å²	136	101.4 Å²	101.4	51%	0.513	52%	0.517	S	S	.	.	H	α-helix	trans	-57.5	-24	166.1	-72.8	-176.6	168.1	177	-4.7	112.9	Q9 A15 G197	Q9-R11 PolarHBondContact O-N 3.34Å; R11-A15 PolarHBondContact O-N 3Å; R11-G197 PolarHBondContact NH2-O 3.32Å
12	R	45.5	Very low	44.9	Very low	177 Å²	177	93.6 Å²	93.6	67%	0.668	50%	0.495	S	S	*	.	H	α-helix	trans	-75.8	-32.5	176.3	-151.1	176.3	-171.3	168.4	0.8	111.9	Q9 A10 L16	Q9-R12 VanDerWaalsContact O-CB 3.29Å; Q9-R12 WeakPolarHBondContact O-CB 3.18Å; Q9-R12 PolarHBondContact O-N 2.83Å; A10-R12 PolarHBondContact O-N 3.2Å; A10-R12 VanDerWaalsContact O-N 3.12Å; R12-L16 HydrophobicContact CG-CD1 4.26Å; R12-L16 WeakPolarHBondContact O-CB 3.15Å; R12-L16 WeakPolarHBondContact O-CD1 3.47Å; R12-L16 WeakPolarHBondContact O-CG 3.44Å; R12-L16 PolarHBondContact O-N 3.31Å
13	E	49.1	Very low	44.9	Very low	44 Å²	44	94.3 Å²	94.3	21%	0.206	50%	0.502	C	S	.	.	H	α-helix	trans	-66	-44.9	177	-65.1	-177.6	146	0	0	110.4	A10 L16 V17 L166 K168	A10-E13 WeakPolarHBondContact O-CB 3.49Å; A10-E13 PolarHBondContact O-N 3.18Å; E13-L16 PolarHBondContact O-N 3.37Å; E13-V17 WeakPolarHBondContact O-CG2 3.26Å; E13-V17 PolarHBondContact O-N 3.29Å; E13-L166 VanDerWaalsContact OE2-CD1 3.25Å; E13-L166 WeakPolarHBondContact OE2-CD1 3.01Å; E13-K168 IonicContact OE1-NZ 3.8Å; E13-K168 PolarHBondContact OE1-NZ 3.04Å; E13-K168 IonicContact OE2-NZ 3.79Å; E13-K168 PolarHBondContact OE2-NZ 3.3Å; E13-K168 VanDerWaalsContact OE2-NZ 3.09Å
14	D	46.7	Very low	44.4	Very low	61 Å²	61	93.1 Å²	93.1	33%	0.326	51%	0.507	S	S	.	.	H	α-helix	trans	-69.8	-37.2	-179.3	-62.2	-35.7	0	0	0	113	A10 L16 V17 L18 Y199	A10-D14 PolarHBondContact O-N 3.38Å; D14-L16 VanDerWaalsContact C-N 3.3Å; D14-L16 PolarHBondContact O-N 3.31Å; D14-V17 PolarHBondContact O-N 2.95Å; D14-L18 PolarHBondContact O-N 2.79Å; D14-L18 VanDerWaalsContact O-N 3.07Å; D14-Y199 PolarHBondContact OD2-OH 3.49Å
15	A	42.8	Very low	44.1	Very low	58 Å²	58	95.3 Å²	95.3	48%	0.479	51%	0.513	S	S	.	.	H	α-helix	trans	-65.6	-32.6	175	0	0	0	0	0	112.5	R11 T19	R11-A15 PolarHBondContact O-N 3Å; A15-T19 WeakPolarHBondContact O-CB 3.41Å; A15-T19 WeakPolarHBondContact O-CG2 3.37Å; A15-T19 PolarHBondContact O-N 3.43Å; A15-T19 PolarHBondContact O-OG1 3.02Å
16	L	42.1	Very low	43.2	Very low	73 Å²	73	103.9 Å²	103.9	38%	0.382	55%	0.547	S	S	.	.	H	α-helix	trans	-80.3	-32.5	178.6	-79.7	162.5	0	0	0	113	R12 E13 D14 T19 K20	R12-L16 HydrophobicContact CG-CD1 4.26Å; R12-L16 WeakPolarHBondContact O-CB 3.15Å; R12-L16 WeakPolarHBondContact O-CD1 3.47Å; R12-L16 WeakPolarHBondContact O-CG 3.44Å; R12-L16 PolarHBondContact O-N 3.31Å; E13-L16 PolarHBondContact O-N 3.37Å; D14-L16 VanDerWaalsContact C-N 3.3Å; D14-L16 PolarHBondContact O-N 3.31Å; L16-T19 WeakPolarHBondContact CA-OG1 3.38Å; L16-T19 PolarHBondContact O-OG1 2.93Å; L16-K20 WeakPolarHBondContact O-CB 3.45Å; L16-K20 WeakPolarHBondContact O-CG 3.46Å; L16-K20 PolarHBondContact O-N 3.41Å
17	V	43.5	Very low	42.6	Very low	84 Å²	84	108.9 Å²	108.9	51%	0.509	58%	0.584	S	S	.	*	H	α-helix	trans	-73.2	-41.6	175.9	175	0	0	0	0	110.9	E13 D14 T19 K20	E13-V17 WeakPolarHBondContact O-CG2 3.26Å; E13-V17 PolarHBondContact O-N 3.29Å; D14-V17 PolarHBondContact O-N 2.95Å; V17-T19 VanDerWaalsContact C-N 3.32Å; V17-T19 PolarHBondContact O-N 3.24Å; V17-K20 PolarHBondContact O-N 3Å
18	L	43.7	Very low	41.9	Very low	146 Å²	146	111.9 Å²	111.9	76%	0.764	61%	0.609	S	S	*	*	H	α-helix	trans	-65.2	-33.3	174.6	-105	105.3	0	0	0	113.1	D14	D14-L18 PolarHBondContact O-N 2.79Å; D14-L18 VanDerWaalsContact O-N 3.07Å
19	T	43.6	Very low	41.4	Very low	96 Å²	96	113.7 Å²	113.7	59%	0.589	62%	0.623	S	S	*	*	H	α-helix	trans	-78.3	-22.6	178.8	43	0	0	0	0	113.5	A15 L16 V17	A15-T19 WeakPolarHBondContact O-CB 3.41Å; A15-T19 WeakPolarHBondContact O-CG2 3.37Å; A15-T19 PolarHBondContact O-N 3.43Å; A15-T19 PolarHBondContact O-OG1 3.02Å; L16-T19 WeakPolarHBondContact CA-OG1 3.38Å; L16-T19 PolarHBondContact O-OG1 2.93Å; V17-T19 VanDerWaalsContact C-N 3.32Å; V17-T19 PolarHBondContact O-N 3.24Å
20	K	47.8	Very low	41	Very low	176 Å²	176	118 Å²	118	77%	0.765	64%	0.639	S	S	*	*	H	α-helix	trans	-83.8	-17.6	179.8	-83	-177	175.8	177.3	0	114.9	L16 V17	L16-K20 WeakPolarHBondContact O-CB 3.45Å; L16-K20 WeakPolarHBondContact O-CG 3.46Å; L16-K20 PolarHBondContact O-N 3.41Å; V17-K20 PolarHBondContact O-N 3Å
21	Q	43.3	Very low	40.5	Very low	169 Å²	169	127.5 Å²	127.5	79%	0.79	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.2	7.5	-177.9	-71.1	-175.3	-13.5	0	0	115.1
22	G	38	Very low	40	Very low	61 Å²	61	126.8 Å²	126.8	63%	0.629	69%	0.692	S	S	*	*	S	Bend	trans	-114.1	-5.5	-169.9	0	0	0	0	0	119.4
23	L	34.8	Very low	39.6	Very low	166 Å²	166	130.2 Å²	130.2	87%	0.869	71%	0.705	S	S	*	*			trans	-138.3	97.3	-169	-83.8	154.4	0	0	0	114.1
24	V	31.8	Very low	38.9	Very low	142 Å²	142	131.6 Å²	131.6	86%	0.861	73%	0.732	S	S	*	*			trans	-92.4	111.3	158.1	174.8	0	0	0	0	108.2
25	S	34.3	Very low	38.4	Very low	107 Å²	107	139.9 Å²	139.9	75%	0.748	76%	0.758	S	S	*	*			trans	157.3	117.8	135.3	58.7	0	0	0	0	113.7
26	K	33.3	Very low	37.8	Very low	201 Å²	201	144.4 Å²	144.4	87%	0.874	77%	0.774	S	S	*	*			trans	30.4	108.9	144.7	-60.7	-178.3	177.9	178.6	0	119.8
27	S	37.9	Very low	37.8	Very low	124 Å²	124	149 Å²	149	87%	0.867	80%	0.797	S	S	*	*				162.9	141.2	112.1	51.8	0	0	0	0	112
28	S	38.7	Very low	37.6	Very low	119 Å²	119	154.6 Å²	154.6	83%	0.832	82%	0.815	S	S	*	*			trans	-92.9	-179.1	-174.7	-47	0	0	0	0	112.3
29	P	39.5	Very low	37	Very low	119 Å²	119	157.7 Å²	157.7	77%	0.773	82%	0.823	S	S	*	*				-129.3	158.6	-88.4	35.7	-17.4	0	0	0	113.7
30	K	35.3	Very low	36.6	Very low	209 Å²	209	157.4 Å²	157.4	91%	0.909	83%	0.83	S	S	*	*			trans	-146.1	120.8	157.3	-73.9	-171.2	179.1	173.8	0	111.2
31	K	32.9	Very low	36.2	Very low	209 Å²	209	156.3 Å²	156.3	91%	0.909	83%	0.832	S	S	*	*			trans	-78.1	148.2	165	-83.8	179.8	174.8	176	0	109.6
32	P	35.3	Very low	35.7	Very low	121 Å²	121	155.5 Å²	155.5	79%	0.786	83%	0.826	S	S	*	*				-145.5	146.8	108.3	34	-16.6	0	0	0	116.4
33	R	36.6	Very low	35.4	Very low	249 Å²	249	158 Å²	158	94%	0.94	83%	0.833	S	S	*	*			trans	19.4	110.5	143.8	-71.3	175.7	162.9	164	-5.4	120.4
34	G	34.8	Very low	35.4	Very low	74 Å²	74	155.8 Å²	155.8	76%	0.763	83%	0.83	S	S	*	*				69.4	110.6	114.5	0	0	0	0	0	120.8
35	R	35.5	Very low	35.6	Very low	235 Å²	235	158.4 Å²	158.4	89%	0.887	83%	0.829	S	S	*	*				175	122.3	118.4	-102.1	173.5	158.6	165.2	-6.4	111.4
36	N	31.3	Very low	35.6	Very low	153 Å²	153	164.8 Å²	164.8	82%	0.818	84%	0.837	S	S	*	*			trans	32.7	107.8	147.3	-60.1	-7.4	0	0	0	120.1
37	I	41.4	Very low	35.8	Very low	168 Å²	168	159.4 Å²	159.4	86%	0.862	83%	0.83	S	S	*	*			trans	-142.9	97.5	155.2	21.4	171.3	0	0	0	107.9
38	F	39.3	Very low	35.7	Very low	203 Å²	203	162.4 Å²	162.4	89%	0.89	83%	0.831	S	S	*	*			trans	-127	101.3	163.9	-90.4	-81.1	0	0	0	107.9
39	K	31.8	Very low	35.5	Very low	211 Å²	211	165.8 Å²	165.8	92%	0.917	83%	0.833	S	S	*	*			trans	-163.6	102.7	160.9	-131.6	-174.3	-176.9	-177.7	0	108.9
40	A	35.3	Very low	35.4	Very low	90 Å²	90	166.2 Å²	166.2	74%	0.744	83%	0.833	S	S	*	*			trans	170.6	129.7	165.5	0	0	0	0	0	106.3
41	L	38.4	Very low	35.3	Very low	152 Å²	152	159.1 Å²	159.1	80%	0.796	82%	0.82	S	S	*	*			cis	-161.2	120	12	-105.1	141.9	0	0	0	106
42	F	34.1	Very low	35.4	Very low	153 Å²	153	158.2 Å²	158.2	67%	0.671	82%	0.818	S	S	*	*			trans	-78.4	122.5	160.6	-88.5	-94	0	0	0	107.6	E2	E2-F42 VanDerWaalsContact OE1-CE2 3.26Å; E2-F42 WeakPolarHBondContact OE1-CE2 2.99Å; E2-F42 VanDerWaalsContact OE1-CZ 3.25Å; E2-F42 WeakPolarHBondContact OE1-CZ 3.3Å
43	C	31	Very low	35.4	Very low	114 Å²	114	157.4 Å²	157.4	77%	0.77	82%	0.816	S	S	*	*			trans	-86.7	130	160.9	-107.2	0	0	0	0	108.2
44	C	34.8	Very low	35.4	Very low	119 Å²	119	151 Å²	151	80%	0.804	81%	0.809	S	S	*	*			trans	82.5	70.3	168.9	-52.9	0	0	0	0	117.9
45	F	36.6	Very low	35.3	Very low	196 Å²	196	152.3 Å²	152.3	86%	0.86	81%	0.807	S	S	*	*			trans	-122.5	101.1	141.7	-96.2	-82.1	0	0	0	109
46	R	34.4	Very low	35.3	Very low	242 Å²	242	145.9 Å²	145.9	91%	0.913	80%	0.798	S	S	*	*			trans	-90.8	112.6	160.7	-159.3	177.2	-167	179	3.7	106.2	Q48	R46-Q48 PolarHBondContact O-N 2.88Å
47	A	36.5	Very low	35.5	Very low	88 Å²	88	144.6 Å²	144.6	73%	0.727	80%	0.795	S	S	*	*			trans	-62	121.3	176.9	0	0	0	0	0	110.3
48	Q	35.5	Very low	35.2	Very low	187 Å²	187	145.5 Å²	145.5	87%	0.874	80%	0.796	S	S	*	*			trans	-77.9	112.2	160.4	-72.2	178.6	-34	0	0	107.6	R46	R46-Q48 PolarHBondContact O-N 2.88Å
49	H	35.8	Very low	35	Very low	189 Å²	189	144.3 Å²	144.3	88%	0.875	80%	0.798	S	S	*	*			trans	-97.4	114.7	160.4	-119	-74.3	0	0	0	108.1
50	V	36.3	Very low	35.2	Very low	128 Å²	128	138.9 Å²	138.9	78%	0.776	79%	0.793	S	S	*	*			trans	-72.9	132.3	175.2	168.6	0	0	0	0	109.2
51	G	34.2	Very low	35.1	Very low	61 Å²	61	139.4 Å²	139.4	63%	0.629	80%	0.797	S	S	*	*			trans	-67	174.3	166.3	0	0	0	0	0	111.1
52	Q	34.4	Very low	34.7	Very low	189 Å²	189	143 Å²	143	88%	0.883	80%	0.802	S	S	*	*			cis	-153.7	153.7	23.2	-72.2	163.7	-35.4	0	0	104.7
53	S	34.8	Very low	34.7	Very low	105 Å²	105	145.6 Å²	145.6	73%	0.734	81%	0.813	S	S	*	*				170.3	148.6	79.1	46.1	0	0	0	0	111.3
54	S	36.6	Very low	34.6	Very low	115 Å²	115	149.5 Å²	149.5	80%	0.804	82%	0.82	S	S	*	*			trans	62.8	135.6	162.2	64.7	0	0	0	0	118.2
55	S	33.4	Very low	34.4	Very low	101 Å²	101	152.7 Å²	152.7	71%	0.706	82%	0.822	S	S	*	*			cis	-169.9	162.9	0.1	51.9	0	0	0	0	108.5
56	S	35.6	Very low	34.5	Very low	100 Å²	100	147.4 Å²	147.4	70%	0.699	82%	0.815	S	S	*	*			trans	77.5	106.1	151.2	29.4	0	0	0	0	120.9
57	T	34.7	Very low	34.8	Very low	125 Å²	125	143.8 Å²	143.8	77%	0.767	81%	0.814	S	S	*	*				72.4	106.3	127.8	-22.7	0	0	0	0	119.2
58	E	36.5	Very low	35.3	Very low	188 Å²	188	145.7 Å²	145.7	88%	0.879	82%	0.817	S	S	*	*				175.7	139.3	112.2	-95.6	-177.2	163.3	0	0	112.2
59	L	34.3	Very low	36.2	Very low	177 Å²	177	142.2 Å²	142.2	93%	0.927	80%	0.803	S	S	*	*			trans	-76.3	136.6	178.2	-72.3	90.6	0	0	0	111.4
60	A	36	Very low	37.6	Very low	98 Å²	98	135.4 Å²	135.4	81%	0.81	78%	0.78	S	S	*	*			trans	-168.9	125.7	140.8	0	0	0	0	0	113.7
61	A	34.3	Very low	38.7	Very low	101 Å²	101	138 Å²	138	84%	0.835	78%	0.781	S	S	*	*			trans	70.8	105.2	143.3	0	0	0	0	0	121
62	Y	28.6	Very low	40	Very low	227 Å²	227	138.6 Å²	138.6	89%	0.89	78%	0.775	S	S	*	*			trans	-54.1	137.3	155.7	-72.8	-99.9	0	0	0	112.9
63	K	33.8	Very low	41.2	Very low	208 Å²	208	133.8 Å²	133.8	90%	0.904	76%	0.755	S	S	*	*			trans	-141.3	115.7	143.3	-84.2	-171.9	176.4	177.8	0	108.7	E65	K63-E65 PolarHBondContact O-N 2.85Å
64	E	30.3	Very low	42.3	Very low	196 Å²	196	132.7 Å²	132.7	92%	0.916	74%	0.741	S	S	*	*			trans	-60.2	119.4	162.9	-87.4	172	136.5	0	0	108.9
65	E	31.1	Very low	43.3	Very low	185 Å²	185	132.4 Å²	132.4	86%	0.864	73%	0.73	S	S	*	*			trans	-106.8	101	166.8	-136.1	166.8	-157.7	0	0	107	K63 N67	K63-E65 PolarHBondContact O-N 2.85Å; E65-N67 PolarHBondContact O-N 3.34Å
66	A	37.9	Very low	44.4	Very low	86 Å²	86	133.4 Å²	133.4	71%	0.711	72%	0.723	S	S	*	*			trans	-58.7	116.7	171.5	0	0	0	0	0	108.5	T68	A66-T68 VanDerWaalsContact C-N 3.34Å; A66-T68 PolarHBondContact O-N 3.3Å
67	N	41.3	Very low	45.3	Very low	165 Å²	165	132 Å²	132	88%	0.882	71%	0.712	S	S	*	*			trans	-59.9	97.1	173.4	-96.7	-14.7	0	0	0	109.2	E65 I69	E65-N67 PolarHBondContact O-N 3.34Å; N67-I69 PolarHBondContact O-N 3.13Å
68	T	46.1	Very low	46.2	Very low	129 Å²	129	129.2 Å²	129.2	79%	0.791	69%	0.692	S	S	*	*			trans	-76.1	109.8	171.3	34.7	0	0	0	0	107.5	A66 A70	A66-T68 VanDerWaalsContact C-N 3.34Å; A66-T68 PolarHBondContact O-N 3.3Å; T68-A70 PolarHBondContact O-N 2.82Å
69	I	53.7	Low	47	Very low	114 Å²	114	125.3 Å²	125.3	59%	0.585	67%	0.674	S	S	*	*			trans	-56.6	123.6	171.6	-61.3	172.6	0	0	0	107.3	N67 K71 D73 L74	N67-I69 PolarHBondContact O-N 3.13Å; I69-K71 PolarHBondContact O-N 3.5Å; I69-D73 HydrophobicContact CG2-CB 3.91Å; I69-L74 HydrophobicContact CB-CD1 4.18Å; I69-L74 HydrophobicContact CG2-CB 4.28Å; I69-L74 HydrophobicContact CG2-CD1 3.99Å
70	A	65.3	Low	47.9	Very low	46 Å²	46	119.6 Å²	119.6	38%	0.38	64%	0.641	S	S	.	*			trans	-58.1	136	178.7	0	0	0	0	0	109	T68 S72 D73 L74	T68-A70 PolarHBondContact O-N 2.82Å; A70-S72 PolarHBondContact O-N 3.21Å; A70-D73 WeakPolarHBondContact O-CB 3.44Å; A70-D73 PolarHBondContact O-N 2.78Å; A70-L74 PolarHBondContact O-N 3.44Å; A70-L74 VanDerWaalsContact O-N 3.12Å
71	K	60.4	Low	48.4	Very low	183 Å²	183	121.5 Å²	121.5	80%	0.796	63%	0.633	S	S	*	*	H	α-helix	trans	-53.7	-27.6	179.3	-75.8	-176.3	176.1	179.1	0	112.8	I69 L75	I69-K71 PolarHBondContact O-N 3.5Å; K71-L75 WeakPolarHBondContact O-CB 3.33Å; K71-L75 PolarHBondContact O-N 3.33Å
72	S	60	Low	49.1	Very low	72 Å²	72	124.6 Å²	124.6	50%	0.503	63%	0.628	S	S	.	*	H	α-helix	trans	-63.1	-44	173.3	50.8	0	0	0	0	112.5	A70 L74 L75 Q76	A70-S72 PolarHBondContact O-N 3.21Å; S72-L74 VanDerWaalsContact C-N 3.33Å; S72-L75 PolarHBondContact O-N 3.3Å; S72-Q76 WeakPolarHBondContact O-CB 3.41Å; S72-Q76 PolarHBondContact O-N 3.12Å
73	D	60	Low	50.1	Low	88 Å²	88	122.1 Å²	122.1	47%	0.471	62%	0.618	S	S	.	*	H	α-helix	trans	-71.1	-37	-179.2	-57	-17.9	0	0	0	109.8	I69 A70 Q76 C77	I69-D73 HydrophobicContact CG2-CB 3.91Å; A70-D73 WeakPolarHBondContact O-CB 3.44Å; A70-D73 PolarHBondContact O-N 2.78Å; D73-Q76 PolarHBondContact O-N 3.18Å; D73-C77 WeakPolarHBondContact O-CB 3.39Å; D73-C77 PolarHBondContact O-N 3.45Å; D73-C77 PolarHBondContact O-SG 3.07Å
74	L	58.1	Low	50.8	Low	83 Å²	83	119.2 Å²	119.2	44%	0.435	61%	0.608	S	S	.	*	H	α-helix	trans	-68.2	-40.5	174.9	-140.9	131.7	0	0	0	111.5	I69 A70 S72 C77 L78	I69-L74 HydrophobicContact CB-CD1 4.18Å; I69-L74 HydrophobicContact CG2-CB 4.28Å; I69-L74 HydrophobicContact CG2-CD1 3.99Å; A70-L74 PolarHBondContact O-N 3.44Å; A70-L74 VanDerWaalsContact O-N 3.12Å; S72-L74 VanDerWaalsContact C-N 3.33Å; L74-C77 PolarHBondContact O-N 3.07Å; L74-L78 HydrophobicContact CD2-CD1 3.84Å; L74-L78 HydrophobicContact CD2-CG 4.27Å; L74-L78 VanDerWaalsContact O-CB 3.3Å; L74-L78 WeakPolarHBondContact O-CB 3.42Å; L74-L78 WeakPolarHBondContact O-CG 3.46Å; L74-L78 PolarHBondContact O-N 3.12Å
75	L	58.4	Low	51.5	Low	109 Å²	109	116.6 Å²	116.6	57%	0.571	60%	0.598	S	S	*	*	H	α-helix	trans	-61.5	-42.7	171.2	-101.3	152.6	0	0	0	111.4	K71 S72 L78 Q79	K71-L75 WeakPolarHBondContact O-CB 3.33Å; K71-L75 PolarHBondContact O-N 3.33Å; S72-L75 PolarHBondContact O-N 3.3Å; L75-L78 PolarHBondContact O-N 2.65Å; L75-Q79 WeakPolarHBondContact O-CB 2.84Å; L75-Q79 PolarHBondContact O-N 3.38Å
76	Q	56.1	Low	52.2	Low	121 Å²	121	113.8 Å²	113.8	57%	0.565	60%	0.596	S	S	*	*	H	α-helix	trans	-65.3	-42.1	177.5	-166.2	115.5	36.4	0	0	111.5	S72 D73 Q79 Y80	S72-Q76 WeakPolarHBondContact O-CB 3.41Å; S72-Q76 PolarHBondContact O-N 3.12Å; D73-Q76 PolarHBondContact O-N 3.18Å; Q76-Q79 PolarHBondContact O-N 2.75Å; Q76-Y80 PolarHBondContact O-N 3.24Å
77	C	54.7	Low	53.2	Low	70 Å²	70	112.9 Å²	112.9	47%	0.473	60%	0.595	S	S	.	*	H	α-helix	trans	-64.8	-43.2	174	-75.3	0	0	0	0	112.5	D73 L74 Y80 Q81	D73-C77 WeakPolarHBondContact O-CB 3.39Å; D73-C77 PolarHBondContact O-N 3.45Å; D73-C77 PolarHBondContact O-SG 3.07Å; L74-C77 PolarHBondContact O-N 3.07Å; C77-Y80 VanDerWaalsContact O-CB 3.26Å; C77-Y80 WeakPolarHBondContact O-CB 3.37Å; C77-Y80 PolarHBondContact O-N 3.28Å; C77-Q81 PolarHBondContact O-N 3.3Å
78	L	53.3	Low	55	Low	67 Å²	67	111.3 Å²	111.3	35%	0.351	59%	0.592	S	S	.	*	H	α-helix	trans	-64.1	-43.8	175.2	-73.7	172.4	0	0	0	110.4	L74 L75 Y80 Q81 F82	L74-L78 HydrophobicContact CD2-CD1 3.84Å; L74-L78 HydrophobicContact CD2-CG 4.27Å; L74-L78 VanDerWaalsContact O-CB 3.3Å; L74-L78 WeakPolarHBondContact O-CB 3.42Å; L74-L78 WeakPolarHBondContact O-CG 3.46Å; L74-L78 PolarHBondContact O-N 3.12Å; L75-L78 PolarHBondContact O-N 2.65Å; L78-Y80 PolarHBondContact O-N 2.9Å; L78-Q81 CarbonylContact O-C 3.51Å; L78-Q81 WeakPolarHBondContact O-CA 3.4Å; L78-Q81 WeakPolarHBondContact O-CB 3.48Å; L78-Q81 PolarHBondContact O-N 3.17Å; L78-F82 HydrophobicContact CB-CD2 4.48Å; L78-F82 HydrophobicContact CB-CE2 4.37Å; L78-F82 WeakPolarHBondContact O-CD2 3.18Å; L78-F82 PolarHBondContact O-N 3.31Å
79	Q	53.2	Low	57.3	Low	106 Å²	106	108.9 Å²	108.9	50%	0.495	58%	0.579	S	S	.	*	H	α-helix	trans	-61.5	-33.2	176.8	-158.8	162.2	4.7	0	0	111	L75 Q76 F82 Y83	L75-Q79 WeakPolarHBondContact O-CB 2.84Å; L75-Q79 PolarHBondContact O-N 3.38Å; Q76-Q79 PolarHBondContact O-N 2.75Å; Q79-F82 PolarHBondContact O-N 2.82Å; Q79-Y83 HydrophobicContact CG-CD2 4.19Å; Q79-Y83 HydrophobicContact CG-CE2 4.23Å; Q79-Y83 WeakPolarHBondContact O-CD2 3.37Å; Q79-Y83 PolarHBondContact O-N 3.28Å
80	Y	52.4	Low	59.3	Low	58 Å²	58	105.3 Å²	105.3	23%	0.227	56%	0.561	C	S	.	*	H	α-helix	trans	-65.6	-42.8	170.2	-135	-93.4	0	0	0	113.2	Q76 C77 L78 F82 Y83 V193 H195 F225	Q76-Y80 PolarHBondContact O-N 3.24Å; C77-Y80 VanDerWaalsContact O-CB 3.26Å; C77-Y80 WeakPolarHBondContact O-CB 3.37Å; C77-Y80 PolarHBondContact O-N 3.28Å; L78-Y80 PolarHBondContact O-N 2.9Å; Y80-F82 PolarHBondContact O-N 3Å; Y80-Y83 PolarHBondContact O-N 3.28Å; Y80-V193 HydrophobicContact CE1-CG1 4.02Å; Y80-V193 HydrophobicContact CE2-CG1 3.52Å; Y80-V193 WeakPolarHBondContact OH-CB 3.45Å; Y80-V193 WeakPolarHBondContact OH-CG1 3.25Å; Y80-H195 HydrophobicContact CE2-CB 4.19Å; Y80-H195 AromaticContact CE2-ND1 3.68Å; Y80-H195 AromaticContact CZ-ND1 3.92Å; Y80-F225 AromaticContact CE1-CE2 3.87Å; Y80-F225 HydrophobicContact CE1-CE2 3.87Å; Y80-F225 AromaticContact CE1-CZ 3.96Å; Y80-F225 HydrophobicContact CE1-CZ 3.96Å; Y80-F225 AromaticContact CZ-CE2 3.91Å; Y80-F225 AromaticContact CZ-CZ 3.84Å; Y80-F225 WeakPolarHBondContact OH-CE2 3.08Å; Y80-F225 VanDerWaalsContact OH-CZ 3.29Å; Y80-F225 WeakPolarHBondContact OH-CZ 3.29Å
81	Q	48	Very low	60.9	Low	137 Å²	137	103.5 Å²	103.5	64%	0.64	55%	0.545	S	S	*	.	H	α-helix	trans	-63.8	-29.3	173.5	-75.7	-178.2	-42.9	0	0	112.3	C77 L78	C77-Q81 PolarHBondContact O-N 3.3Å; L78-Q81 CarbonylContact O-C 3.51Å; L78-Q81 WeakPolarHBondContact O-CA 3.4Å; L78-Q81 WeakPolarHBondContact O-CB 3.48Å; L78-Q81 PolarHBondContact O-N 3.17Å
82	F	48.4	Very low	62.5	Low	166 Å²	166	99.4 Å²	99.4	73%	0.728	54%	0.537	S	S	*	.	H	α-helix	trans	-85.9	-17.1	177.3	-71.9	-68.5	0	0	0	114.5	L78 Q79 Y80 Q84	L78-F82 HydrophobicContact CB-CD2 4.48Å; L78-F82 HydrophobicContact CB-CE2 4.37Å; L78-F82 WeakPolarHBondContact O-CD2 3.18Å; L78-F82 PolarHBondContact O-N 3.31Å; Q79-F82 PolarHBondContact O-N 2.82Å; Y80-F82 PolarHBondContact O-N 3Å; F82-Q84 VanDerWaalsContact C-N 3.33Å
83	Y	50.3	Low	64.2	Low	176 Å²	176	104.6 Å²	104.6	69%	0.69	55%	0.553	S	S	*	*			trans	-86.8	3	176.8	-100.7	-83.2	0	0	0	114.4	Q79 Y80 I85	Q79-Y83 HydrophobicContact CG-CD2 4.19Å; Q79-Y83 HydrophobicContact CG-CE2 4.23Å; Q79-Y83 WeakPolarHBondContact O-CD2 3.37Å; Q79-Y83 PolarHBondContact O-N 3.28Å; Y80-Y83 PolarHBondContact O-N 3.28Å; Y83-I85 PolarHBondContact O-N 2.87Å
84	Q	47	Very low	65.9	Low	147 Å²	147	102.8 Å²	102.8	69%	0.687	55%	0.545	S	S	*	.			trans	-67.6	81.3	159.9	-65.6	-168.9	-9.3	0	0	108.1	F82 P86	F82-Q84 VanDerWaalsContact C-N 3.33Å; Q84-P86 WeakPolarHBondContact O-CD 3.22Å; Q84-P86 VanDerWaalsContact O-N 3.08Å
85	I	46.2	Very low	67.8	Low	140 Å²	140	102.2 Å²	102.2	72%	0.718	55%	0.545	S	S	*	.			trans	-62.7	107.5	161.5	-58.6	176.4	0	0	0	104.8	Y83 G87	Y83-I85 PolarHBondContact O-N 2.87Å; I85-G87 PolarHBondContact O-N 3.47Å; I85-G87 VanDerWaalsContact O-N 3.13Å
86	P	46.5	Very low	69.6	Low	127 Å²	127	106.2 Å²	106.2	83%	0.825	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	111.1	176.2	-3	22.6	0	0	0	105.4	Q84	Q84-P86 WeakPolarHBondContact O-CD 3.22Å; Q84-P86 VanDerWaalsContact O-N 3.08Å
87	G	58.2	Low	71.4	Confident	66 Å²	66	106.2 Å²	106.2	68%	0.68	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-180	-38.7	174.4	0	0	0	0	0	118.3	I85	I85-G87 PolarHBondContact O-N 3.47Å; I85-G87 VanDerWaalsContact O-N 3.13Å
88	T	79.2	Confident	73.4	Confident	133 Å²	133	103 Å²	103	82%	0.816	54%	0.539	S	S	*	.			trans	-145.1	120.9	-173.8	57.4	0	0	0	0	112.1
89	C	93.6	Very high	75.4	Confident	78 Å²	78	106.7 Å²	106.7	53%	0.527	56%	0.555	S	S	.	*			trans	-61.9	153.3	166	-58.7	0	0	0	0	110.4	L91 R205 G207	C89-L91 VanDerWaalsContact C-N 3.28Å; C89-L91 PolarHBondContact O-N 3Å; C89-R205 CarbonylContact C-O 3.59Å; C89-R205 WeakPolarHBondContact CA-O 3.49Å; C89-G207 WeakPolarHBondContact SG-CA 3.33Å
90	L	96.7	Very high	77.4	Confident	39 Å²	39	104.5 Å²	104.5	20%	0.204	56%	0.561	C	S	.	*	S	Bend	trans	-68.2	-29.4	176.5	-67.7	174.3	0	0	0	112.1	F162 L187 R205 L206	L90-F162 HydrophobicContact CD1-CE1 4.32Å; L90-F162 HydrophobicContact CD1-CZ 4.33Å; L90-L187 HydrophobicContact CB-CD1 4.05Å; L90-L187 HydrophobicContact CB-CD2 4.1Å; L90-L187 HydrophobicContact CD1-CD1 4.18Å; L90-R205 HydrophobicContact CD1-CB 3.71Å; L90-R205 HydrophobicContact CG-CB 3.94Å; L90-R205 WeakPolarHBondContact CG-O 3.35Å; L90-R205 PolarHBondContact N-O 2.86Å; L90-L206 HydrophobicContact CB-CD2 4.49Å; L90-L206 HydrophobicContact CD1-CD2 4.33Å
91	L	97.4	Very high	79.6	Confident	8 Å²	8	105.4 Å²	105.4	4%	0.042	56%	0.564	C	S	.	*	S	Bend	trans	-104.4	149.7	176.6	-53.9	176	0	0	0	110.5	C89 V160 A185 L187 L206 R208	C89-L91 VanDerWaalsContact C-N 3.28Å; C89-L91 PolarHBondContact O-N 3Å; L91-V160 HydrophobicContact CD1-CG2 3.82Å; L91-V160 HydrophobicContact CD2-CG1 3.97Å; L91-V160 HydrophobicContact CD2-CG2 4.02Å; L91-A185 HydrophobicContact CD2-CB 3.56Å; L91-L187 HydrophobicContact CD2-CD1 4.1Å; L91-L187 HydrophobicContact CD2-CD2 4.47Å; L91-L187 HydrophobicContact CD2-CG 4.4Å; L91-L206 VanDerWaalsContact CB-O 3.28Å; L91-L206 WeakPolarHBondContact CB-O 3.45Å; L91-L206 HydrophobicContact CD1-CB 4.07Å; L91-L206 HydrophobicContact CD1-CD2 4.21Å; L91-L206 HydrophobicContact CG-CB 4.42Å; L91-L206 HydrophobicContact CG-CD2 4.25Å; L91-L206 WeakPolarHBondContact CG-O 3.3Å; L91-L206 PolarHBondContact N-O 2.93Å; L91-R208 HydrophobicContact CD1-CG 4.1Å
92	P	95.4	Very high	82	Confident	97 Å²	97	99 Å²	99	63%	0.63	53%	0.533	S	S	*	.			trans	-66.3	177.3	167.2	31.8	-36.1	0	0	0	111.2	R208	P92-R208 PolarHBondContact O-NH1 3.09Å; P92-R208 PolarHBondContact O-NH2 2.93Å
93	E	95.4	Very high	84.4	Confident	181 Å²	181	91.1 Å²	91.1	85%	0.846	50%	0.499	S	S	*	.	S	Bend	trans	-54	146.7	168.3	-65.4	-173.6	163.4	0	0	110.9
94	V	96.1	Very high	86.7	Confident	50 Å²	50	82.8 Å²	82.8	30%	0.303	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-63	139.4	-179.4	-177.5	0	0	0	0	109.3	D98 R208	V94-D98 HydrophobicContact CG1-CB 3.98Å; V94-R208 VanDerWaalsContact CG2-CZ 3.44Å
95	T	96.4	Very high	89.2	Confident	70 Å²	70	75.8 Å²	75.8	43%	0.429	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-74.3	159.9	176.6	71.6	0	0	0	0	111	E97 D98 Q99	T95-E97 PolarHBondContact O-N 2.87Å; T95-D98 PolarHBondContact O-N 3.01Å; T95-D98 PolarHBondContact OG1-N 2.95Å; T95-D98 PolarHBondContact OG1-OD2 2.94Å; T95-D98 VanDerWaalsContact OG1-OD2 3.12Å; T95-Q99 PolarHBondContact O-N 2.85Å; T95-Q99 VanDerWaalsContact O-N 3.15Å
96	E	96.2	Very high	91.7	Very high	193 Å²	193	69.1 Å²	69.1	90%	0.902	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-32.3	175.5	-65.7	-173.3	165.9	0	0	112.8	D98	E96-D98 VanDerWaalsContact C-N 3.34Å
97	E	95.1	Very high	94.2	Very high	122 Å²	122	63.5 Å²	63.5	57%	0.57	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-31.9	179.9	-164.4	-164.6	141.8	0	0	112.6	T95 R101 R184	T95-E97 PolarHBondContact O-N 2.87Å; E97-R101 VanDerWaalsContact O-CZ 3.31Å; E97-R101 PolarHBondContact O-NE 3.29Å; E97-R101 PolarHBondContact O-NH1 2.68Å; E97-R101 IonicContact OE1-NH1 2.62Å; E97-R184 IonicContact OE1-CZ 2.76Å; E97-R184 IonicContact OE1-NH2 3.45Å; E97-R184 PolarHBondContact OE1-NH2 2.79Å; E97-R184 IonicContact OE2-NH2 3.54Å
98	D	97	Very high	96.1	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.011	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	2.6	-176.5	-63.2	-44.6	0	0	0	112.8	V94 T95 E96 G100 R101 E158 R184	V94-D98 HydrophobicContact CG1-CB 3.98Å; T95-D98 PolarHBondContact O-N 3.01Å; T95-D98 PolarHBondContact OG1-N 2.95Å; T95-D98 PolarHBondContact OG1-OD2 2.94Å; T95-D98 VanDerWaalsContact OG1-OD2 3.12Å; E96-D98 VanDerWaalsContact C-N 3.34Å; D98-G100 PolarHBondContact O-N 3.41Å; D98-G100 VanDerWaalsContact O-N 3.14Å; D98-R101 WeakPolarHBondContact O-CB 3.31Å; D98-R101 PolarHBondContact O-N 3Å; D98-R101 IonicContact OD1-CZ 3.56Å; D98-R101 IonicContact OD1-NH1 3.66Å; D98-R101 PolarHBondContact OD1-NH1 3.18Å; D98-E158 HydrophobicContact CB-CB 4.04Å; D98-E158 HydrophobicContact CB-CG 4.17Å; D98-R184 IonicContact OD1-CZ 3.18Å; D98-R184 IonicContact OD1-NE 2.62Å; D98-R184 PolarHBondContact OD1-NE 3.04Å; D98-R184 IonicContact OD1-NH2 2.68Å; D98-R184 PolarHBondContact OD1-NH2 3.39Å; D98-R184 WeakPolarHBondContact OD2-CG 3.36Å; D98-R184 IonicContact OD2-CZ 3.14Å; D98-R184 IonicContact OD2-NE 2.74Å; D98-R184 PolarHBondContact OD2-NE 3.07Å; D98-R184 IonicContact OD2-NH2 2.71Å
99	Q	95.6	Very high	97.1	Very high	145 Å²	145	54.2 Å²	54.2	68%	0.678	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	119.1	179.8	-172.9	65.1	30.3	0	0	111.3	T95 R101	T95-Q99 PolarHBondContact O-N 2.85Å; T95-Q99 VanDerWaalsContact O-N 3.15Å; Q99-R101 VanDerWaalsContact C-N 3.29Å; Q99-R101 PolarHBondContact O-N 3.46Å
100	G	95.3	Very high	97.3	Very high	60 Å²	60	51 Å²	51	62%	0.619	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.3	-7.3	-180	0	0	0	0	0	115	D98	D98-G100 PolarHBondContact O-N 3.41Å; D98-G100 VanDerWaalsContact O-N 3.14Å
101	R	97.9	Very high	97.4	Very high	77 Å²	77	49.2 Å²	49.2	29%	0.291	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-70.3	153	170.6	-62.8	-171.2	177.4	159.4	-7.7	110.5	E97 D98 Q99 R184	E97-R101 VanDerWaalsContact O-CZ 3.31Å; E97-R101 PolarHBondContact O-NE 3.29Å; E97-R101 PolarHBondContact O-NH1 2.68Å; E97-R101 IonicContact OE1-NH1 2.62Å; D98-R101 WeakPolarHBondContact O-CB 3.31Å; D98-R101 PolarHBondContact O-N 3Å; D98-R101 IonicContact OD1-CZ 3.56Å; D98-R101 IonicContact OD1-NH1 3.66Å; D98-R101 PolarHBondContact OD1-NH1 3.18Å; Q99-R101 VanDerWaalsContact C-N 3.29Å; Q99-R101 PolarHBondContact O-N 3.46Å; R101-R184 VanDerWaalsContact NH1-NH2 3.19Å
102	I	98.6	Very high	97.5	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-74.3	138.3	168.8	-73.3	162.5	0	0	0	108.4	V104 F157 E158 K212 L214 L255 A258 V261	I102-V104 HydrophobicContact CG2-CG2 4.19Å; I102-F157 HydrophobicContact CB-CD1 3.71Å; I102-F157 HydrophobicContact CB-CE1 3.85Å; I102-F157 HydrophobicContact CD1-CE1 4.38Å; I102-F157 HydrophobicContact CG2-CD1 3.9Å; I102-F157 HydrophobicContact CG2-CE1 3.93Å; I102-F157 WeakPolarHBondContact O-CD1 3.49Å; I102-E158 PolarHBondContact O-N 3.23Å; I102-K212 WeakPolarHBondContact CA-O 3.45Å; I102-K212 HydrophobicContact CD1-CD 4.4Å; I102-K212 HydrophobicContact CG1-CB 4.37Å; I102-K212 HydrophobicContact CG1-CD 3.64Å; I102-K212 WeakPolarHBondContact CG2-O 3.38Å; I102-L214 HydrophobicContact CG2-CD1 3.94Å; I102-L214 HydrophobicContact CG2-CG 3.99Å; I102-L255 WeakPolarHBondContact CD1-O 3.33Å; I102-A258 HydrophobicContact CD1-CB 4.13Å; I102-V261 HydrophobicContact CD1-CG1 3.92Å; I102-V261 HydrophobicContact CG1-CG1 4.36Å; I102-V261 HydrophobicContact CG2-CG1 4.31Å
103	C	98.8	Very high	97.6	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.014	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	125.8	170.9	175.2	0	0	0	0	109.5	E158 R208 K212 T213 L214	C103-E158 CarbonylContact C-O 3.28Å; C103-E158 WeakPolarHBondContact CA-O 3.36Å; C103-R208 HydrophobicContact CB-CB 4.3Å; C103-R208 HydrophobicContact CB-CG 3.89Å; C103-K212 PolarHBondContact N-O 2.99Å; C103-T213 CarbonylContact O-C 3.24Å; C103-T213 VanDerWaalsContact O-CA 3.29Å; C103-T213 WeakPolarHBondContact O-CA 3.28Å; C103-L214 PolarHBondContact O-N 3.21Å
104	V	98.9	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	114.5	175.2	-172.4	0	0	0	0	109.4	I102 I106 M153 F157 E158 V160 L214 F252	I102-V104 HydrophobicContact CG2-CG2 4.19Å; V104-I106 HydrophobicContact CG1-CD1 4.34Å; V104-I106 HydrophobicContact CG1-CG1 3.82Å; V104-M153 HydrophobicContact CB-CE 4.08Å; V104-M153 HydrophobicContact CG1-CE 3.75Å; V104-M153 HydrophobicContact CG2-CE 4.02Å; V104-F157 HydrophobicContact CB-CB 4.36Å; V104-F157 HydrophobicContact CB-CG 4.46Å; V104-F157 HydrophobicContact CG2-CB 3.69Å; V104-F157 HydrophobicContact CG2-CD1 3.3Å; V104-F157 HydrophobicContact CG2-CD2 4.02Å; V104-F157 HydrophobicContact CG2-CE1 3.83Å; V104-F157 HydrophobicContact CG2-CE2 4.5Å; V104-F157 HydrophobicContact CG2-CG 3.39Å; V104-F157 HydrophobicContact CG2-CZ 4.38Å; V104-E158 PolarHBondContact N-O 3.12Å; V104-V160 PolarHBondContact O-N 2.87Å; V104-L214 HydrophobicContact CG1-CB 4.27Å; V104-L214 HydrophobicContact CG2-CB 4.18Å; V104-L214 HydrophobicContact CG2-CD1 4.25Å; V104-F252 HydrophobicContact CG1-CE1 4.02Å
105	V	98.9	Very high	97.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	123.6	169.6	173.5	0	0	0	0	108.9	V160 F162 K201 L203 L206 L214 I215 L216	V105-V160 CarbonylContact C-O 3.55Å; V105-V160 WeakPolarHBondContact CA-O 3.29Å; V105-F162 HydrophobicContact CG1-CB 3.35Å; V105-F162 HydrophobicContact CG1-CD1 3.9Å; V105-F162 HydrophobicContact CG1-CG 4.11Å; V105-K201 HydrophobicContact CG1-CD 4.49Å; V105-L203 HydrophobicContact CB-CD2 4.4Å; V105-L203 HydrophobicContact CG2-CD2 4.01Å; V105-L206 HydrophobicContact CG2-CD1 3.57Å; V105-L206 HydrophobicContact CG2-CD2 4.36Å; V105-L214 PolarHBondContact N-O 3.29Å; V105-I215 HydrophobicContact CB-CB 4.22Å; V105-I215 HydrophobicContact CB-CD1 4.49Å; V105-I215 HydrophobicContact CB-CG1 4.2Å; V105-I215 HydrophobicContact CG1-CD1 4Å; V105-I215 HydrophobicContact CG1-CG1 4.07Å; V105-I215 CarbonylContact O-C 3.57Å; V105-I215 WeakPolarHBondContact O-CA 3.47Å; V105-L216 PolarHBondContact O-N 3.07Å
106	I	98.9	Very high	97.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.7	-177.7	-54.1	176.7	0	0	0	109.1	V104 L112 F149 M153 C159 V160 F162 F183 L216	V104-I106 HydrophobicContact CG1-CD1 4.34Å; V104-I106 HydrophobicContact CG1-CG1 3.82Å; I106-L112 HydrophobicContact CG2-CD1 3.79Å; I106-L112 HydrophobicContact CG2-CD2 4Å; I106-L112 HydrophobicContact CG2-CG 4.05Å; I106-F149 HydrophobicContact CD1-CE1 4.45Å; I106-M153 HydrophobicContact CD1-CB 4.49Å; I106-M153 HydrophobicContact CD1-CE 4.19Å; I106-C159 HydrophobicContact CD1-CB 4.36Å; I106-V160 PolarHBondContact N-O 2.9Å; I106-F162 PolarHBondContact O-N 2.75Å; I106-F183 HydrophobicContact CB-CE1 4.08Å; I106-F183 HydrophobicContact CD1-CE1 4.14Å; I106-L216 HydrophobicContact CG2-CD2 4.3Å
107	D	98.9	Very high	97.5	Very high	9 Å²	9	25.5 Å²	25.5	5%	0.048	14%	0.135	C	C	.	.			trans	-73.8	160.9	173.3	-174.1	55.1	0	0	0	112.9	T111 L112 K201 L216 D217 N218	D107-T111 HydrophobicContact CB-CG2 4.22Å; D107-T111 WeakPolarHBondContact CB-OG1 3.3Å; D107-T111 PolarHBondContact OD2-OG1 2.76Å; D107-L112 WeakPolarHBondContact O-CD1 3.46Å; D107-L112 WeakPolarHBondContact O-CG 3.46Å; D107-K201 VanDerWaalsContact CB-NZ 3.27Å; D107-K201 VanDerWaalsContact CG-NZ 3.25Å; D107-K201 IonicContact OD1-NZ 3.82Å; D107-K201 PolarHBondContact OD1-NZ 2.98Å; D107-L216 PolarHBondContact N-O 3.04Å; D107-D217 HydrophobicContact CB-CB 4.11Å; D107-N218 PolarHBondContact OD2-OD1 3.11Å
108	L	98.7	Very high	97.5	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.			trans	-100.6	-67.6	-178.2	-175.5	61.1	0	0	0	112.7	T111 L112 V113 L161 Y169 A170 V173 L177	L108-T111 PolarHBondContact O-N 2.9Å; L108-L112 PolarHBondContact O-N 3.24Å; L108-V113 HydrophobicContact CD1-CG2 3.7Å; L108-V113 HydrophobicContact CG-CG2 3.84Å; L108-V113 PolarHBondContact O-N 3.25Å; L108-L161 HydrophobicContact CB-CD1 4.13Å; L108-L161 HydrophobicContact CD1-CD1 4.3Å; L108-Y169 HydrophobicContact CD2-CE1 4.06Å; L108-A170 HydrophobicContact CD2-CB 3.88Å; L108-V173 HydrophobicContact CD1-CG1 4.23Å; L108-V173 HydrophobicContact CD2-CG1 4.39Å; L108-L177 HydrophobicContact CD1-CD2 4.37Å
109	D	98.4	Very high	97.3	Very high	4 Å²	4	31 Å²	31	2%	0.021	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-79.9	132	-166.3	-64.7	-64.1	0	0	0	110.6	I7 T111 S165 Y169 N218	I7-D109 HydrophobicContact CD1-CB 4.45Å; D109-T111 PolarHBondContact O-N 2.89Å; D109-S165 WeakPolarHBondContact OD2-CB 3.39Å; D109-S165 PolarHBondContact OD2-OG 3.41Å; D109-Y169 VanDerWaalsContact OD1-CE1 3.29Å; D109-Y169 WeakPolarHBondContact OD1-CE1 3.34Å; D109-Y169 VanDerWaalsContact OD1-CZ 3.28Å; D109-Y169 PolarHBondContact OD1-OH 3.16Å; D109-N218 PolarHBondContact O-OD1 3.32Å
110	E	98.6	Very high	97.2	Very high	12 Å²	12	26 Å²	26	6%	0.056	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.2	3.4	-171.6	-68.9	70.4	-115.8	0	0	114.7	S5 V113 H114 N218 S235 W236 F237	S5-E110 PolarHBondContact OG-OE2 2.69Å; E110-V113 WeakPolarHBondContact CA-O 3.49Å; E110-V113 PolarHBondContact N-O 3.26Å; E110-H114 IonicContact OE1-CE1 2.98Å; E110-H114 PolarHBondContact OE1-CE1 2.72Å; E110-H114 IonicContact OE1-CG 3.49Å; E110-H114 IonicContact OE1-ND1 3.62Å; E110-H114 PolarHBondContact OE1-ND1 3.22Å; E110-N218 VanDerWaalsContact CB-ND2 3.3Å; E110-N218 WeakPolarHBondContact CB-ND2 3.43Å; E110-S235 WeakPolarHBondContact O-CA 3.05Å; E110-W236 WeakPolarHBondContact CA-O 3.48Å; E110-W236 PolarHBondContact O-N 2.62Å; E110-F237 HydrophobicContact CG-CD1 4.06Å; E110-F237 HydrophobicContact CG-CE1 3.54Å; E110-F237 HydrophobicContact CG-CZ 3.96Å
111	T	98.9	Very high	96.9	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-58.2	174	-63.6	0	0	0	0	111.6	D107 L108 D109 R143 L216 N218 V233	D107-T111 HydrophobicContact CB-CG2 4.22Å; D107-T111 WeakPolarHBondContact CB-OG1 3.3Å; D107-T111 PolarHBondContact OD2-OG1 2.76Å; L108-T111 PolarHBondContact O-N 2.9Å; D109-T111 PolarHBondContact O-N 2.89Å; T111-R143 WeakPolarHBondContact O-CD 3.37Å; T111-R143 PolarHBondContact O-NH1 3.2Å; T111-L216 HydrophobicContact CG2-CD2 4.47Å; T111-L216 HydrophobicContact CG2-CG 4.24Å; T111-N218 PolarHBondContact OG1-N 3.41Å; T111-N218 PolarHBondContact OG1-OD1 2.86Å; T111-V233 HydrophobicContact CG2-CG1 4.06Å
112	L	98.8	Very high	96.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-30.3	180	-60.1	178.1	0	0	0	112.8	I106 D107 L108 R143 V146 F149 L150 L177 F183 L245	I106-L112 HydrophobicContact CG2-CD1 3.79Å; I106-L112 HydrophobicContact CG2-CD2 4Å; I106-L112 HydrophobicContact CG2-CG 4.05Å; D107-L112 WeakPolarHBondContact O-CD1 3.46Å; D107-L112 WeakPolarHBondContact O-CG 3.46Å; L108-L112 PolarHBondContact O-N 3.24Å; L112-R143 WeakPolarHBondContact O-CB 3.22Å; L112-R143 PolarHBondContact O-N 3.21Å; L112-V146 HydrophobicContact CB-CG2 3.96Å; L112-V146 HydrophobicContact CD2-CG2 3.95Å; L112-V146 HydrophobicContact CG-CG2 4.46Å; L112-F149 HydrophobicContact CD2-CD1 4.13Å; L112-F149 HydrophobicContact CD2-CE1 4.15Å; L112-L150 HydrophobicContact CD1-CD2 4.11Å; L112-L150 HydrophobicContact CD2-CD2 4.31Å; L112-L177 HydrophobicContact CB-CD2 4.12Å; L112-L177 HydrophobicContact CD1-CD2 4.13Å; L112-F183 HydrophobicContact CD1-CZ 3.9Å; L112-L245 HydrophobicContact CD2-CD1 4.27Å
113	V	98.6	Very high	96.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	163.4	-177.1	-62.2	0	0	0	0	110.3	L108 E110 V140 L141 V173 L177	L108-V113 HydrophobicContact CD1-CG2 3.7Å; L108-V113 HydrophobicContact CG-CG2 3.84Å; L108-V113 PolarHBondContact O-N 3.25Å; E110-V113 WeakPolarHBondContact CA-O 3.49Å; E110-V113 PolarHBondContact N-O 3.26Å; V113-V140 HydrophobicContact CB-CG1 3.78Å; V113-V140 HydrophobicContact CG1-CG1 4.02Å; V113-V140 HydrophobicContact CG2-CG1 4.21Å; V113-L141 CarbonylContact C-O 3.58Å; V113-L141 WeakPolarHBondContact CA-O 3.09Å; V113-L141 WeakPolarHBondContact CB-O 3.31Å; V113-V173 HydrophobicContact CG1-CG1 4.44Å; V113-V173 HydrophobicContact CG2-CG1 4.18Å; V113-L177 HydrophobicContact CG1-CD1 4.22Å; V113-L177 HydrophobicContact CG1-CD2 3.97Å
114	H	98	Very high	96.5	Very high	25 Å²	25	37.3 Å²	37.3	12%	0.116	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	136.5	166.1	177.4	58.4	0	0	0	109.4	E110 V140 L141 W236 F237	E110-H114 IonicContact OE1-CE1 2.98Å; E110-H114 PolarHBondContact OE1-CE1 2.72Å; E110-H114 IonicContact OE1-CG 3.49Å; E110-H114 IonicContact OE1-ND1 3.62Å; E110-H114 PolarHBondContact OE1-ND1 3.22Å; H114-V140 WeakPolarHBondContact O-CA 3.44Å; H114-L141 PolarHBondContact N-O 3.46Å; H114-L141 PolarHBondContact O-N 3.42Å; H114-W236 HydrophobicContact CB-CE3 3.85Å; H114-W236 HydrophobicContact CB-CZ3 3.67Å; H114-F237 WeakPolarHBondContact CB-O 3.44Å; H114-F237 PolarHBondContact CD2-O 3.37Å; H114-F237 VanDerWaalsContact CD2-O 3.24Å; H114-F237 AromaticContact CE1-CD1 3.65Å; H114-F237 AromaticContact ND1-CD1 3.68Å
115	S	96.2	Very high	96.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.014	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	142.3	-173.2	-68.6	0	0	0	0	113.1	Y139 V140 Y169	S115-Y139 WeakPolarHBondContact CA-O 3.45Å; S115-V140 WeakPolarHBondContact OG-CG2 3.45Å; S115-Y169 WeakPolarHBondContact CB-OH 3.38Å; S115-Y169 PolarHBondContact OG-OH 3.23Å
116	S	94.6	Very high	96.2	Very high	23 Å²	23	42.7 Å²	42.7	16%	0.161	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	142.3	-176.5	175	0	0	0	0	112	K118 Y139	S116-K118 VanDerWaalsContact C-N 3.28Å; S116-K118 WeakPolarHBondContact OG-CB 3.49Å; S116-K118 PolarHBondContact OG-N 2.82Å; S116-K118 PolarHBondContact OG-O 2.77Å; S116-K118 VanDerWaalsContact OG-O 3.13Å; S116-Y139 PolarHBondContact N-O 2.96Å; S116-Y139 PolarHBondContact O-N 3.12Å
117	F	93.4	Very high	96	Very high	52 Å²	52	43 Å²	43	23%	0.228	23%	0.228	C	C	.	.	S	Bend	trans	-77.3	-15.6	166.8	-69.6	-69.9	0	0	0	113	I6 I131 H136 V138	I6-F117 HydrophobicContact CB-CE2 4.21Å; I6-F117 HydrophobicContact CD1-CE2 4.32Å; I6-F117 HydrophobicContact CD1-CZ 4.42Å; I6-F117 HydrophobicContact CG1-CD2 4.07Å; I6-F117 HydrophobicContact CG1-CE2 3.67Å; I6-F117 HydrophobicContact CG1-CZ 4.21Å; I6-F117 HydrophobicContact CG2-CE2 4.11Å; I6-F117 HydrophobicContact CG2-CZ 4.21Å; F117-I131 HydrophobicContact CE1-CD1 3.66Å; F117-I131 HydrophobicContact CZ-CD1 3.52Å; F117-H136 HydrophobicContact CD1-CB 4.04Å; F117-H136 HydrophobicContact CE1-CB 4.01Å; F117-V138 HydrophobicContact CD1-CG2 3.8Å; F117-V138 HydrophobicContact CE1-CG2 3.46Å; F117-V138 VanDerWaalsContact CE1-CG2 3.46Å; F117-V138 HydrophobicContact CZ-CG2 4.19Å
118	K	94	Very high	95.9	Very high	142 Å²	142	46.4 Å²	46.4	62%	0.617	25%	0.25	S	S	*	.	S	Bend	trans	-82	135.3	173.5	-64.4	179.2	-177.4	170.4	0	108.7	S116 I120	S116-K118 VanDerWaalsContact C-N 3.28Å; S116-K118 WeakPolarHBondContact OG-CB 3.49Å; S116-K118 PolarHBondContact OG-N 2.82Å; S116-K118 PolarHBondContact OG-O 2.77Å; S116-K118 VanDerWaalsContact OG-O 3.13Å; K118-I120 PolarHBondContact O-N 3.31Å
119	P	94.3	Very high	95.6	Very high	96 Å²	96	46.7 Å²	46.7	62%	0.623	25%	0.252	S	S	*	.			trans	-52.1	130.7	174.3	-26.8	34.4	0	0	0	112.8	Y139	P119-Y139 VanDerWaalsContact CA-CE2 3.47Å; P119-Y139 HydrophobicContact CB-CE1 4.1Å; P119-Y139 HydrophobicContact CB-CE2 4.04Å; P119-Y139 HydrophobicContact CG-CE2 3.93Å
120	I	92.9	Very high	95.2	Very high	41 Å²	41	52.7 Å²	52.7	21%	0.21	28%	0.28	C	S	.	.			trans	-116.3	132.6	174.8	-60.8	173.6	0	0	0	108.5	K118 N122 L141	K118-I120 PolarHBondContact O-N 3.31Å; I120-N122 PolarHBondContact O-N 2.78Å; I120-L141 HydrophobicContact CD1-CD1 4.14Å; I120-L141 HydrophobicContact CD1-CG 4.3Å; I120-L141 HydrophobicContact CG2-CD1 4.09Å; I120-L141 HydrophobicContact CG2-CD2 4.03Å; I120-L141 HydrophobicContact CG2-CG 4.2Å
121	N	88.8	Confident	94.8	Very high	162 Å²	162	53.7 Å²	53.7	87%	0.866	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	36.7	-169	-88.2	-8.2	0	0	0	115.7
122	N	91.8	Very high	94.4	Very high	111 Å²	111	61.1 Å²	61.1	59%	0.594	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	166.9	32.1	-178.8	49.7	-40.3	0	0	0	108.5	I120 D124	I120-N122 PolarHBondContact O-N 2.78Å; N122-D124 PolarHBondContact O-N 2.77Å
123	A	96.6	Very high	94	Very high	24 Å²	24	63.9 Å²	63.9	20%	0.198	35%	0.348	C	S	.	.			trans	-58.2	133.4	177.3	0	0	0	0	0	109.5	F125 I126 Y139 V140	A123-F125 VanDerWaalsContact C-N 3.27Å; A123-F125 WeakPolarHBondContact CB-O 3.42Å; A123-I126 HydrophobicContact CB-CG1 4.35Å; A123-Y139 HydrophobicContact CB-CD1 4.06Å; A123-V140 CarbonylContact C-O 3.57Å
124	D	97.7	Very high	93.7	Very high	81 Å²	81	67.7 Å²	67.7	43%	0.433	37%	0.372	S	S	.	.	S	Bend	trans	-64.1	-39.9	174	-65.8	-85.2	0	0	0	110.4	N122 V140 L141 K142	N122-D124 PolarHBondContact O-N 2.77Å; D124-V140 PolarHBondContact N-O 3.13Å; D124-L141 WeakPolarHBondContact OD2-CA 3.48Å; D124-K142 HydrophobicContact CB-CB 4.42Å; D124-K142 HydrophobicContact CB-CD 3.8Å; D124-K142 HydrophobicContact CB-CG 3.72Å; D124-K142 PolarHBondContact OD2-N 3.16Å
125	F	96.1	Very high	93.5	Very high	19 Å²	19	70.7 Å²	70.7	8%	0.083	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	149.8	177.2	-42.9	-48.9	0	0	0	111.8	A123 V127 V140 K142 L176 L177	A123-F125 VanDerWaalsContact C-N 3.27Å; A123-F125 WeakPolarHBondContact CB-O 3.42Å; F125-V127 HydrophobicContact CB-CG2 4.4Å; F125-V140 HydrophobicContact CB-CB 4.1Å; F125-V140 HydrophobicContact CB-CG2 4.37Å; F125-V140 HydrophobicContact CD2-CB 4.21Å; F125-V140 HydrophobicContact CD2-CG1 4.14Å; F125-V140 PolarHBondContact N-O 2.84Å; F125-V140 PolarHBondContact O-N 3.36Å; F125-K142 HydrophobicContact CE1-CD 4.45Å; F125-K142 HydrophobicContact CE2-CD 4.11Å; F125-K142 HydrophobicContact CE2-CG 4.01Å; F125-K142 HydrophobicContact CZ-CD 3.74Å; F125-K142 HydrophobicContact CZ-CG 4.17Å; F125-L176 HydrophobicContact CB-CD1 3.81Å; F125-L176 HydrophobicContact CD1-CB 3.92Å; F125-L176 HydrophobicContact CD1-CD1 4.06Å; F125-L176 HydrophobicContact CD1-CG 4.48Å; F125-L176 HydrophobicContact CD2-CB 3.96Å; F125-L176 HydrophobicContact CD2-CD1 4.34Å; F125-L176 HydrophobicContact CE1-CB 3.86Å; F125-L176 HydrophobicContact CE2-CB 3.86Å; F125-L176 HydrophobicContact CG-CB 3.99Å; F125-L176 HydrophobicContact CG-CD1 3.82Å; F125-L176 HydrophobicContact CZ-CB 3.81Å; F125-L176 WeakPolarHBondContact CZ-O 3.38Å; F125-L177 HydrophobicContact CE2-CB 4.29Å; F125-L177 HydrophobicContact CE2-CD1 4.41Å
126	I	96.6	Very high	93.4	Very high	94 Å²	94	74.2 Å²	74.2	48%	0.482	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	114.6	166.8	-56.1	175.6	0	0	0	107	A123 Q137 V138 Y139	A123-I126 HydrophobicContact CB-CG1 4.35Å; I126-Q137 HydrophobicContact CG2-CB 4.01Å; I126-Q137 HydrophobicContact CG2-CG 4.33Å; I126-V138 CarbonylContact C-O 3.58Å; I126-V138 WeakPolarHBondContact CA-O 3.15Å; I126-Y139 HydrophobicContact CD1-CD1 4.1Å; I126-Y139 HydrophobicContact CD1-CE1 3.83Å; I126-Y139 HydrophobicContact CG1-CD1 3.94Å; I126-Y139 HydrophobicContact CG1-CE1 4.13Å; I126-Y139 HydrophobicContact CG2-CE1 4.45Å
127	V	95	Very high	93.5	Very high	5 Å²	5	77.3 Å²	77.3	3%	0.03	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	121.4	-175.2	-178.3	0	0	0	0	109.8	F125 I129 V138 V140 P172 V173 L176	F125-V127 HydrophobicContact CB-CG2 4.4Å; V127-I129 HydrophobicContact CB-CD1 4.5Å; V127-I129 HydrophobicContact CG1-CD1 3.51Å; V127-I129 HydrophobicContact CG1-CG1 4.19Å; V127-I129 PolarHBondContact O-N 3.39Å; V127-V138 PolarHBondContact N-O 3.29Å; V127-V138 PolarHBondContact O-N 2.91Å; V127-V140 HydrophobicContact CG2-CG2 4.31Å; V127-P172 HydrophobicContact CG1-CB 3.49Å; V127-P172 VanDerWaalsContact CG1-CB 3.49Å; V127-P172 HydrophobicContact CG1-CG 4.13Å; V127-V173 HydrophobicContact CG2-CG2 4.01Å; V127-L176 HydrophobicContact CG2-CD1 4.03Å
128	P	95.6	Very high	93.6	Very high	81 Å²	81	74.9 Å²	74.9	53%	0.526	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121.7	173	30	-31.9	0	0	0	110.4	T135	P128-T135 HydrophobicContact CB-CG2 3.63Å
129	I	92.9	Very high	93.8	Very high	6 Å²	6	70.1 Å²	70.1	3%	0.031	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	128.2	178.7	-54.1	-61.3	0	0	0	109.7	V127 I131 T135 H136 V138 K168	V127-I129 HydrophobicContact CB-CD1 4.5Å; V127-I129 HydrophobicContact CG1-CD1 3.51Å; V127-I129 HydrophobicContact CG1-CG1 4.19Å; V127-I129 PolarHBondContact O-N 3.39Å; I129-I131 HydrophobicContact CG2-CD1 4.43Å; I129-I131 HydrophobicContact CG2-CG1 4Å; I129-T135 WeakPolarHBondContact O-CA 3.36Å; I129-H136 PolarHBondContact N-O 3.21Å; I129-H136 PolarHBondContact O-N 3.32Å; I129-V138 HydrophobicContact CB-CG2 4.27Å; I129-V138 HydrophobicContact CG1-CB 4.32Å; I129-V138 HydrophobicContact CG1-CG2 3.6Å; I129-K168 WeakPolarHBondContact CD1-O 3.12Å; I129-K168 HydrophobicContact CG2-CD 4.31Å; I129-K168 HydrophobicContact CG2-CG 4.22Å
130	E	90.7	Very high	94	Very high	130 Å²	130	65.6 Å²	65.6	61%	0.607	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.3	122.9	172.1	-165.8	-178.1	140.8	0	0	110.8	G133	E130-G133 WeakPolarHBondContact OE1-CA 3.47Å
131	I	89.2	Confident	94.2	Very high	33 Å²	33	64 Å²	64	17%	0.169	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	120	174.2	-52.6	176.3	0	0	0	106.9	F117 I129 G133 T134	F117-I131 HydrophobicContact CE1-CD1 3.66Å; F117-I131 HydrophobicContact CZ-CD1 3.52Å; I129-I131 HydrophobicContact CG2-CD1 4.43Å; I129-I131 HydrophobicContact CG2-CG1 4Å; I131-G133 PolarHBondContact O-N 3.41Å; I131-T134 PolarHBondContact N-O 3.42Å; I131-T134 PolarHBondContact O-N 3.5Å; I131-T134 VanDerWaalsContact O-O 3.11Å
132	E	89.9	Confident	94.7	Very high	156 Å²	156	57.3 Å²	57.3	73%	0.729	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	39.7	179.9	-59.3	-177.1	169.2	0	0	113.7	T134	E132-T134 PolarHBondContact O-N 2.9Å
133	G	91.5	Very high	95	Very high	58 Å²	58	52.1 Å²	52.1	60%	0.598	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	3.7	180	0	0	0	0	0	114.9	E130 I131	E130-G133 WeakPolarHBondContact OE1-CA 3.47Å; I131-G133 PolarHBondContact O-N 3.41Å
134	T	92.5	Very high	95.1	Very high	80 Å²	80	51.6 Å²	51.6	49%	0.491	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	129.8	175	-56.6	0	0	0	0	109.6	I131 E132 H136	I131-T134 PolarHBondContact N-O 3.42Å; I131-T134 PolarHBondContact O-N 3.5Å; I131-T134 VanDerWaalsContact O-O 3.11Å; E132-T134 PolarHBondContact O-N 2.9Å; T134-H136 PolarHBondContact O-CD2 3.27Å; T134-H136 PolarHBondContact O-N 3.42Å
135	T	93.9	Very high	95.1	Very high	89 Å²	89	52.5 Å²	52.5	55%	0.546	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	121.2	173.2	-51.7	0	0	0	0	110	P128 I129	P128-T135 HydrophobicContact CB-CG2 3.63Å; I129-T135 WeakPolarHBondContact O-CA 3.36Å
136	H	93.1	Very high	95.3	Very high	76 Å²	76	51.7 Å²	51.7	35%	0.352	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140	173	-65.1	-87.1	0	0	0	109.7	F117 I129 T134	F117-H136 HydrophobicContact CD1-CB 4.04Å; F117-H136 HydrophobicContact CE1-CB 4.01Å; I129-H136 PolarHBondContact N-O 3.21Å; I129-H136 PolarHBondContact O-N 3.32Å; T134-H136 PolarHBondContact O-CD2 3.27Å; T134-H136 PolarHBondContact O-N 3.42Å
137	Q	96	Very high	95.4	Very high	87 Å²	87	50.9 Å²	50.9	41%	0.407	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	129.3	173.1	-61.1	-66.6	12.5	0	0	109.8	I126 Y139	I126-Q137 HydrophobicContact CG2-CB 4.01Å; I126-Q137 HydrophobicContact CG2-CG 4.33Å; Q137-Y139 HydrophobicContact CB-CE2 3.9Å
138	V	96.2	Very high	95.5	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.2	172.1	178.9	0	0	0	0	108.7	I6 F117 I126 V127 I129 V140 Y169	I6-V138 HydrophobicContact CD1-CG1 3.5Å; I6-V138 HydrophobicContact CD1-CG2 4.2Å; F117-V138 HydrophobicContact CD1-CG2 3.8Å; F117-V138 HydrophobicContact CE1-CG2 3.46Å; F117-V138 VanDerWaalsContact CE1-CG2 3.46Å; F117-V138 HydrophobicContact CZ-CG2 4.19Å; I126-V138 CarbonylContact C-O 3.58Å; I126-V138 WeakPolarHBondContact CA-O 3.15Å; V127-V138 PolarHBondContact N-O 3.29Å; V127-V138 PolarHBondContact O-N 2.91Å; I129-V138 HydrophobicContact CB-CG2 4.27Å; I129-V138 HydrophobicContact CG1-CB 4.32Å; I129-V138 HydrophobicContact CG1-CG2 3.6Å; V138-V140 HydrophobicContact CG1-CG2 4.15Å; V138-Y169 HydrophobicContact CG1-CD2 4.13Å; V138-Y169 HydrophobicContact CG1-CE2 3.81Å
139	Y	97.9	Very high	95.7	Very high	43 Å²	43	51 Å²	51	17%	0.169	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.3	179.1	-62.3	-97.7	0	0	0	108.2	S115 S116 P119 A123 I126 Q137	S115-Y139 WeakPolarHBondContact CA-O 3.45Å; S116-Y139 PolarHBondContact N-O 2.96Å; S116-Y139 PolarHBondContact O-N 3.12Å; P119-Y139 VanDerWaalsContact CA-CE2 3.47Å; P119-Y139 HydrophobicContact CB-CE1 4.1Å; P119-Y139 HydrophobicContact CB-CE2 4.04Å; P119-Y139 HydrophobicContact CG-CE2 3.93Å; A123-Y139 HydrophobicContact CB-CD1 4.06Å; I126-Y139 HydrophobicContact CD1-CD1 4.1Å; I126-Y139 HydrophobicContact CD1-CE1 3.83Å; I126-Y139 HydrophobicContact CG1-CD1 3.94Å; I126-Y139 HydrophobicContact CG1-CE1 4.13Å; I126-Y139 HydrophobicContact CG2-CE1 4.45Å; Q137-Y139 HydrophobicContact CB-CE2 3.9Å
140	V	98.2	Very high	95.9	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.6	-173.6	-170.9	0	0	0	0	109.1	V113 H114 S115 A123 D124 F125 V127 V138 V173	V113-V140 HydrophobicContact CB-CG1 3.78Å; V113-V140 HydrophobicContact CG1-CG1 4.02Å; V113-V140 HydrophobicContact CG2-CG1 4.21Å; H114-V140 WeakPolarHBondContact O-CA 3.44Å; S115-V140 WeakPolarHBondContact OG-CG2 3.45Å; A123-V140 CarbonylContact C-O 3.57Å; D124-V140 PolarHBondContact N-O 3.13Å; F125-V140 HydrophobicContact CB-CB 4.1Å; F125-V140 HydrophobicContact CB-CG2 4.37Å; F125-V140 HydrophobicContact CD2-CB 4.21Å; F125-V140 HydrophobicContact CD2-CG1 4.14Å; F125-V140 PolarHBondContact N-O 2.84Å; F125-V140 PolarHBondContact O-N 3.36Å; V127-V140 HydrophobicContact CG2-CG2 4.31Å; V138-V140 HydrophobicContact CG1-CG2 4.15Å; V140-V173 HydrophobicContact CG1-CG1 4.14Å; V140-V173 HydrophobicContact CG2-CG2 3.94Å
141	L	98.3	Very high	96.3	Very high	8 Å²	8	50 Å²	50	4%	0.042	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.8	168.2	-64.8	170.3	0	0	0	109.4	V113 H114 I120 D124 W236 D238	V113-L141 CarbonylContact C-O 3.58Å; V113-L141 WeakPolarHBondContact CA-O 3.09Å; V113-L141 WeakPolarHBondContact CB-O 3.31Å; H114-L141 PolarHBondContact N-O 3.46Å; H114-L141 PolarHBondContact O-N 3.42Å; I120-L141 HydrophobicContact CD1-CD1 4.14Å; I120-L141 HydrophobicContact CD1-CG 4.3Å; I120-L141 HydrophobicContact CG2-CD1 4.09Å; I120-L141 HydrophobicContact CG2-CD2 4.03Å; I120-L141 HydrophobicContact CG2-CG 4.2Å; D124-L141 WeakPolarHBondContact OD2-CA 3.48Å; L141-W236 HydrophobicContact CB-CH2 3.65Å; L141-W236 HydrophobicContact CB-CZ3 3.99Å; L141-D238 HydrophobicContact CD1-CB 4.04Å
142	K	98.6	Very high	96.7	Very high	21 Å²	21	51.5 Å²	51.5	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	132.2	172.1	-69.7	176.2	69.2	173.6	0	109.8	D124 F125 V146 D147 L177 W236	D124-K142 HydrophobicContact CB-CB 4.42Å; D124-K142 HydrophobicContact CB-CD 3.8Å; D124-K142 HydrophobicContact CB-CG 3.72Å; D124-K142 PolarHBondContact OD2-N 3.16Å; F125-K142 HydrophobicContact CE1-CD 4.45Å; F125-K142 HydrophobicContact CE2-CD 4.11Å; F125-K142 HydrophobicContact CE2-CG 4.01Å; F125-K142 HydrophobicContact CZ-CD 3.74Å; F125-K142 HydrophobicContact CZ-CG 4.17Å; K142-V146 HydrophobicContact CB-CG1 3.9Å; K142-V146 HydrophobicContact CD-CG1 4.45Å; K142-V146 HydrophobicContact CG-CG1 4.32Å; K142-D147 IonicContact NZ-OD1 2.63Å; K142-D147 PolarHBondContact NZ-OD1 3.45Å; K142-D147 IonicContact NZ-OD2 3.18Å; K142-D147 PolarHBondContact NZ-OD2 2.96Å; K142-L177 HydrophobicContact CD-CD1 4.34Å; K142-L177 HydrophobicContact CG-CD1 4.14Å; K142-W236 WeakPolarHBondContact O-CH2 3.5Å
143	R	98.7	Very high	97.1	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.008	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-61.5	137.1	169	-172.4	168.5	-173.6	162.9	13.9	109.5	T111 L112 Y145 V146 V233 Q234 W236 D242 E244 L245	T111-R143 WeakPolarHBondContact O-CD 3.37Å; T111-R143 PolarHBondContact O-NH1 3.2Å; L112-R143 WeakPolarHBondContact O-CB 3.22Å; L112-R143 PolarHBondContact O-N 3.21Å; R143-Y145 PolarHBondContact O-N 3.47Å; R143-V146 VanDerWaalsContact O-CB 3.27Å; R143-V146 WeakPolarHBondContact O-CB 3.3Å; R143-V146 VanDerWaalsContact O-CG1 3.26Å; R143-V146 WeakPolarHBondContact O-CG1 3.35Å; R143-V146 PolarHBondContact O-N 3.36Å; R143-V233 VanDerWaalsContact NH1-CG2 3.35Å; R143-Q234 PolarHBondContact NH1-O 2.93Å; R143-Q234 PolarHBondContact NH2-O 2.76Å; R143-W236 HydrophobicContact CB-CD2 3.78Å; R143-W236 HydrophobicContact CB-CE3 3.75Å; R143-W236 HydrophobicContact CB-CG 4.25Å; R143-W236 HydrophobicContact CB-CH2 4.46Å; R143-W236 HydrophobicContact CB-CZ3 4.09Å; R143-W236 HydrophobicContact CG-CB 4.16Å; R143-W236 HydrophobicContact CG-CD2 3.66Å; R143-W236 HydrophobicContact CG-CE3 4.15Å; R143-W236 HydrophobicContact CG-CG 3.63Å; R143-W236 VanDerWaalsContact CZ-CB 3.49Å; R143-D242 IonicContact CZ-OD1 3.8Å; R143-D242 IonicContact CZ-OD2 3.29Å; R143-D242 IonicContact NE-OD1 3.52Å; R143-D242 PolarHBondContact NE-OD1 3.07Å; R143-D242 IonicContact NE-OD2 2.81Å; R143-D242 PolarHBondContact NE-OD2 2.93Å; R143-D242 IonicContact NH2-OD1 2.82Å; R143-D242 PolarHBondContact NH2-OD1 2.64Å; R143-D242 IonicContact NH2-OD2 3.09Å; R143-D242 PolarHBondContact NH2-OD2 3.21Å; R143-E244 IonicContact CZ-OE2 2.82Å; R143-E244 IonicContact NH1-OE2 3.81Å; R143-E244 VanDerWaalsContact NH2-CB 3.32Å; R143-E244 IonicContact NH2-OE2 3.85Å; R143-E244 PolarHBondContact NH2-OE2 3.45Å; R143-L245 HydrophobicContact CB-CD1 4.01Å; R143-L245 HydrophobicContact CG-CD1 3.91Å; R143-L245 HydrophobicContact CG-CG 4.19Å
144	P	98.7	Very high	97.4	Very high	14 Å²	14	42 Å²	42	9%	0.091	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	142.3	174.3	-30.8	36.6	0	0	0	112.2	V146 M240 D242	P144-V146 PolarHBondContact O-N 3.39Å; P144-V146 VanDerWaalsContact O-N 3.17Å; P144-M240 HydrophobicContact CG-CE 4.3Å; P144-D242 VanDerWaalsContact CB-O 3.25Å; P144-D242 WeakPolarHBondContact CB-O 3.49Å; P144-D242 HydrophobicContact CG-CB 4.15Å
145	Y	98.5	Very high	97.7	Very high	100 Å²	100	42.4 Å²	42.4	39%	0.392	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	6.8	179.9	-47.2	-81.1	0	0	0	116.4	R143 D147 E148 F149 D242 T243 L246	R143-Y145 PolarHBondContact O-N 3.47Å; Y145-D147 VanDerWaalsContact C-N 3.3Å; Y145-D147 PolarHBondContact O-N 2.93Å; Y145-E148 PolarHBondContact O-N 3.03Å; Y145-E148 VanDerWaalsContact O-N 3.15Å; Y145-F149 WeakPolarHBondContact O-CB 3.24Å; Y145-F149 PolarHBondContact O-N 3.27Å; Y145-D242 WeakPolarHBondContact CE2-O 3.43Å; Y145-T243 HydrophobicContact CE2-CG2 3.72Å; Y145-L246 HydrophobicContact CD1-CB 4.09Å; Y145-L246 HydrophobicContact CD1-CD1 4.14Å; Y145-L246 HydrophobicContact CD1-CD2 3.99Å; Y145-L246 HydrophobicContact CD1-CG 4.3Å; Y145-L246 HydrophobicContact CD2-CB 3.86Å; Y145-L246 HydrophobicContact CD2-CD2 4.49Å; Y145-L246 HydrophobicContact CE1-CD2 3.77Å; Y145-L246 HydrophobicContact CE2-CB 4.4Å; Y145-L246 HydrophobicContact CE2-CD2 4.31Å; Y145-L246 HydrophobicContact CG-CB 3.68Å; Y145-L246 HydrophobicContact CG-CD2 4.35Å; Y145-L246 HydrophobicContact CG-CG 4.4Å
146	V	98.6	Very high	97.9	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-36.4	-179.1	69.5	0	0	0	0	114	L112 K142 R143 P144 L150 L177 L245	L112-V146 HydrophobicContact CB-CG2 3.96Å; L112-V146 HydrophobicContact CD2-CG2 3.95Å; L112-V146 HydrophobicContact CG-CG2 4.46Å; K142-V146 HydrophobicContact CB-CG1 3.9Å; K142-V146 HydrophobicContact CD-CG1 4.45Å; K142-V146 HydrophobicContact CG-CG1 4.32Å; R143-V146 VanDerWaalsContact O-CB 3.27Å; R143-V146 WeakPolarHBondContact O-CB 3.3Å; R143-V146 VanDerWaalsContact O-CG1 3.26Å; R143-V146 WeakPolarHBondContact O-CG1 3.35Å; R143-V146 PolarHBondContact O-N 3.36Å; P144-V146 PolarHBondContact O-N 3.39Å; P144-V146 VanDerWaalsContact O-N 3.17Å; V146-L150 HydrophobicContact CG2-CD1 4Å; V146-L150 HydrophobicContact CG2-CG 4.15Å; V146-L150 WeakPolarHBondContact O-CB 3.15Å; V146-L150 WeakPolarHBondContact O-CG 3.4Å; V146-L150 PolarHBondContact O-N 3.25Å; V146-L177 HydrophobicContact CG1-CD1 3.84Å; V146-L177 HydrophobicContact CG2-CD1 3.98Å; V146-L177 HydrophobicContact CG2-CD2 4.35Å; V146-L245 HydrophobicContact CB-CD1 3.85Å; V146-L245 HydrophobicContact CG2-CD1 4.08Å
147	D	98.4	Very high	98.1	Very high	77 Å²	77	36 Å²	36	41%	0.412	16%	0.164	S	C	.	.	H	α-helix	trans	-66.5	-42.8	178.1	-66.3	-43.1	0	0	0	111.9	K142 Y145 R151	K142-D147 IonicContact NZ-OD1 2.63Å; K142-D147 PolarHBondContact NZ-OD1 3.45Å; K142-D147 IonicContact NZ-OD2 3.18Å; K142-D147 PolarHBondContact NZ-OD2 2.96Å; Y145-D147 VanDerWaalsContact C-N 3.3Å; Y145-D147 PolarHBondContact O-N 2.93Å; D147-R151 WeakPolarHBondContact O-CB 3.34Å; D147-R151 PolarHBondContact O-N 3.12Å; D147-R151 VanDerWaalsContact O-N 3.08Å
148	E	98.2	Very high	98.3	Very high	87 Å²	87	32.3 Å²	32.3	41%	0.407	15%	0.146	S	C	.	.	H	α-helix	trans	-68.2	-43.7	178.8	-176.2	172.3	-177.1	0	0	110.8	Y145 R152 I249	Y145-E148 PolarHBondContact O-N 3.03Å; Y145-E148 VanDerWaalsContact O-N 3.15Å; E148-R152 WeakPolarHBondContact O-CB 3.27Å; E148-R152 PolarHBondContact O-N 3.2Å; E148-I249 HydrophobicContact CG-CD1 4Å
149	F	98.7	Very high	98.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58.4	-56.6	174.8	178.3	-99.3	0	0	0	111.5	I106 L112 Y145 R151 R152 M153 L216 L245 L248 I249 F252	I106-F149 HydrophobicContact CD1-CE1 4.45Å; L112-F149 HydrophobicContact CD2-CD1 4.13Å; L112-F149 HydrophobicContact CD2-CE1 4.15Å; Y145-F149 WeakPolarHBondContact O-CB 3.24Å; Y145-F149 PolarHBondContact O-N 3.27Å; F149-R151 VanDerWaalsContact C-N 3.35Å; F149-R151 PolarHBondContact O-N 3.33Å; F149-R152 PolarHBondContact O-N 3.25Å; F149-R152 VanDerWaalsContact O-N 3.1Å; F149-M153 HydrophobicContact CD1-CG 4.04Å; F149-M153 HydrophobicContact CD2-CG 4.17Å; F149-M153 HydrophobicContact CE1-CG 3.62Å; F149-M153 HydrophobicContact CE2-CG 3.76Å; F149-M153 HydrophobicContact CE2-SD 3.85Å; F149-M153 HydrophobicContact CG-CG 4.28Å; F149-M153 HydrophobicContact CZ-CE 4.25Å; F149-M153 HydrophobicContact CZ-CG 3.44Å; F149-M153 VanDerWaalsContact CZ-CG 3.44Å; F149-M153 HydrophobicContact CZ-SD 3.76Å; F149-M153 VanDerWaalsContact O-CG 3.24Å; F149-M153 WeakPolarHBondContact O-CG 3.4Å; F149-M153 PolarHBondContact O-N 2.98Å; F149-L216 HydrophobicContact CE1-CD2 3.82Å; F149-L216 HydrophobicContact CE2-CD2 4.37Å; F149-L216 HydrophobicContact CZ-CD2 3.39Å; F149-L245 HydrophobicContact CB-CB 3.98Å; F149-L245 HydrophobicContact CB-CD1 4.44Å; F149-L245 HydrophobicContact CD1-CD1 4.45Å; F149-L245 HydrophobicContact CD1-CD2 4.27Å; F149-L245 HydrophobicContact CD2-CB 4.17Å; F149-L245 HydrophobicContact CD2-CD2 4.48Å; F149-L245 VanDerWaalsContact CD2-O 3.31Å; F149-L245 WeakPolarHBondContact CD2-O 3.32Å; F149-L245 HydrophobicContact CE1-CD2 4.39Å; F149-L245 HydrophobicContact CG-CB 4.02Å; F149-L245 HydrophobicContact CG-CD1 4.48Å; F149-L245 HydrophobicContact CG-CD2 4.33Å; F149-L248 HydrophobicContact CE2-CB 4.24Å; F149-I249 HydrophobicContact CD2-CG1 3.95Å; F149-F252 AromaticContact CE2-CD2 3.88Å; F149-F252 HydrophobicContact CE2-CD2 3.88Å; F149-F252 HydrophobicContact CE2-CE2 4.02Å; F149-F252 HydrophobicContact CZ-CD2 4.25Å; F149-F252 HydrophobicContact CZ-CE2 4.04Å
150	L	98.7	Very high	98.4	Very high	5 Å²	5	30.2 Å²	30.2	3%	0.026	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-43	-178	-73.8	179.7	0	0	0	112.1	L112 V146 R152 M153 G154 L177 V182 F183	L112-L150 HydrophobicContact CD1-CD2 4.11Å; L112-L150 HydrophobicContact CD2-CD2 4.31Å; V146-L150 HydrophobicContact CG2-CD1 4Å; V146-L150 HydrophobicContact CG2-CG 4.15Å; V146-L150 WeakPolarHBondContact O-CB 3.15Å; V146-L150 WeakPolarHBondContact O-CG 3.4Å; V146-L150 PolarHBondContact O-N 3.25Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.31Å; L150-M153 PolarHBondContact O-N 3.14Å; L150-G154 PolarHBondContact O-N 3.18Å; L150-L177 HydrophobicContact CD1-CD1 4.48Å; L150-L177 HydrophobicContact CD1-CD2 3.92Å; L150-L177 HydrophobicContact CD1-CG 3.78Å; L150-V182 HydrophobicContact CB-CG2 4.26Å; L150-V182 HydrophobicContact CD2-CG1 4.46Å; L150-V182 WeakPolarHBondContact O-CG1 3.27Å; L150-V182 WeakPolarHBondContact O-CG2 3.35Å; L150-F183 HydrophobicContact CD1-CE2 4.45Å; L150-F183 HydrophobicContact CD2-CE1 4.37Å; L150-F183 HydrophobicContact CD2-CE2 4.21Å; L150-F183 HydrophobicContact CD2-CZ 3.68Å
151	R	98.1	Very high	98.4	Very high	112 Å²	112	30.2 Å²	30.2	42%	0.423	14%	0.138	S	C	.	.	H	α-helix	trans	-55.7	-48.7	174.9	-177.7	-171.3	61.4	77.8	1.2	110.7	D147 F149 G154 E155	D147-R151 WeakPolarHBondContact O-CB 3.34Å; D147-R151 PolarHBondContact O-N 3.12Å; D147-R151 VanDerWaalsContact O-N 3.08Å; F149-R151 VanDerWaalsContact C-N 3.35Å; F149-R151 PolarHBondContact O-N 3.33Å; R151-G154 PolarHBondContact O-N 2.9Å; R151-E155 IonicContact CZ-OE1 2.69Å; R151-E155 IonicContact NH1-OE1 2.66Å; R151-E155 PolarHBondContact NH1-OE1 2.82Å; R151-E155 IonicContact NH1-OE2 3.84Å; R151-E155 WeakPolarHBondContact O-CG 3.34Å; R151-E155 PolarHBondContact O-N 2.76Å
152	R	98.3	Very high	98.5	Very high	64 Å²	64	29.8 Å²	29.8	24%	0.242	14%	0.136	C	C	.	.	H	α-helix	trans	-67.7	-38.8	-177.8	-171.2	50.1	171.6	151.6	7.1	112.4	E148 F149 L150 E155 L156 I249 E253	E148-R152 WeakPolarHBondContact O-CB 3.27Å; E148-R152 PolarHBondContact O-N 3.2Å; F149-R152 PolarHBondContact O-N 3.25Å; F149-R152 VanDerWaalsContact O-N 3.1Å; L150-R152 VanDerWaalsContact C-N 3.31Å; L150-R152 PolarHBondContact O-N 3.31Å; R152-E155 WeakPolarHBondContact CD-OE2 3.28Å; R152-E155 IonicContact CZ-OE2 3.98Å; R152-E155 IonicContact NE-OE2 3.81Å; R152-E155 IonicContact NH1-OE2 3.91Å; R152-E155 PolarHBondContact NH1-OE2 3.47Å; R152-E155 PolarHBondContact O-N 2.89Å; R152-L156 HydrophobicContact CG-CD1 4.11Å; R152-L156 WeakPolarHBondContact O-CG 3.49Å; R152-L156 PolarHBondContact O-N 2.98Å; R152-I249 HydrophobicContact CB-CG2 4.44Å; R152-I249 HydrophobicContact CG-CG2 3.74Å; R152-E253 IonicContact CZ-OE1 3.6Å; R152-E253 IonicContact NE-OE1 2.97Å; R152-E253 PolarHBondContact NE-OE1 3.15Å; R152-E253 IonicContact NH2-OE1 3.81Å; R152-E253 PolarHBondContact NH2-OE1 3.24Å
153	M	98.5	Very high	98.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-61.5	-45.4	175.3	-68.7	-58.2	-68.9	0	0	111.8	V104 I106 F149 L150 E155 L156 F157 F252	V104-M153 HydrophobicContact CB-CE 4.08Å; V104-M153 HydrophobicContact CG1-CE 3.75Å; V104-M153 HydrophobicContact CG2-CE 4.02Å; I106-M153 HydrophobicContact CD1-CB 4.49Å; I106-M153 HydrophobicContact CD1-CE 4.19Å; F149-M153 HydrophobicContact CD1-CG 4.04Å; F149-M153 HydrophobicContact CD2-CG 4.17Å; F149-M153 HydrophobicContact CE1-CG 3.62Å; F149-M153 HydrophobicContact CE2-CG 3.76Å; F149-M153 HydrophobicContact CE2-SD 3.85Å; F149-M153 HydrophobicContact CG-CG 4.28Å; F149-M153 HydrophobicContact CZ-CE 4.25Å; F149-M153 HydrophobicContact CZ-CG 3.44Å; F149-M153 VanDerWaalsContact CZ-CG 3.44Å; F149-M153 HydrophobicContact CZ-SD 3.76Å; F149-M153 VanDerWaalsContact O-CG 3.24Å; F149-M153 WeakPolarHBondContact O-CG 3.4Å; F149-M153 PolarHBondContact O-N 2.98Å; L150-M153 PolarHBondContact O-N 3.14Å; M153-E155 VanDerWaalsContact C-N 3.26Å; M153-E155 PolarHBondContact O-N 2.88Å; M153-L156 PolarHBondContact O-N 3.01Å; M153-L156 VanDerWaalsContact O-N 3.11Å; M153-F157 HydrophobicContact CE-CD2 3.6Å; M153-F157 HydrophobicContact CE-CE2 3.89Å; M153-F157 HydrophobicContact CE-CG 4.35Å; M153-F157 PolarHBondContact O-N 3.39Å; M153-F157 HydrophobicContact SD-CD2 3.97Å; M153-F157 HydrophobicContact SD-CE2 3.99Å; M153-F252 HydrophobicContact CE-CB 4.42Å; M153-F252 HydrophobicContact CE-CD1 3.51Å; M153-F252 HydrophobicContact CE-CD2 4.22Å; M153-F252 HydrophobicContact CE-CE1 3.69Å; M153-F252 HydrophobicContact CE-CE2 4.38Å; M153-F252 HydrophobicContact CE-CG 3.8Å; M153-F252 HydrophobicContact CE-CZ 4.14Å; M153-F252 HydrophobicContact SD-CB 3.65Å; M153-F252 HydrophobicContact SD-CD1 3.88Å; M153-F252 HydrophobicContact SD-CD2 3.81Å; M153-F252 HydrophobicContact SD-CE1 4.48Å; M153-F252 HydrophobicContact SD-CE2 4.43Å; M153-F252 HydrophobicContact SD-CG 3.5Å; M153-F252 WeakPolarHBondContact SD-CG 3.34Å
154	G	98	Very high	98.4	Very high	13 Å²	13	29.5 Å²	29.5	13%	0.134	14%	0.138	C	C	.	.	H	α-helix	trans	-66.3	-22	179.3	0	0	0	0	0	115	L150 R151	L150-G154 PolarHBondContact O-N 3.18Å; R151-G154 PolarHBondContact O-N 2.9Å
155	E	97.5	Very high	98.3	Very high	87 Å²	87	28.9 Å²	28.9	41%	0.407	13%	0.134	S	C	.	.	H	α-helix	trans	-74.9	-30	172.8	-70.7	165.5	-172.7	0	0	112.6	R151 R152 M153	R151-E155 IonicContact CZ-OE1 2.69Å; R151-E155 IonicContact NH1-OE1 2.66Å; R151-E155 PolarHBondContact NH1-OE1 2.82Å; R151-E155 IonicContact NH1-OE2 3.84Å; R151-E155 WeakPolarHBondContact O-CG 3.34Å; R151-E155 PolarHBondContact O-N 2.76Å; R152-E155 WeakPolarHBondContact CD-OE2 3.28Å; R152-E155 IonicContact CZ-OE2 3.98Å; R152-E155 IonicContact NE-OE2 3.81Å; R152-E155 IonicContact NH1-OE2 3.91Å; R152-E155 PolarHBondContact NH1-OE2 3.47Å; R152-E155 PolarHBondContact O-N 2.89Å; M153-E155 VanDerWaalsContact C-N 3.26Å; M153-E155 PolarHBondContact O-N 2.88Å
156	L	98	Very high	98.2	Very high	32 Å²	32	25.3 Å²	25.3	17%	0.168	12%	0.121	C	C	.	.	H	α-helix	trans	-103.7	-29.6	-167.4	-66.3	173.8	0	0	0	113.4	R152 M153 E253	R152-L156 HydrophobicContact CG-CD1 4.11Å; R152-L156 WeakPolarHBondContact O-CG 3.49Å; R152-L156 PolarHBondContact O-N 2.98Å; M153-L156 PolarHBondContact O-N 3.01Å; M153-L156 VanDerWaalsContact O-N 3.11Å; L156-E253 HydrophobicContact CD1-CG 3.88Å
157	F	98.7	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-131.9	159.6	-164.4	-62.8	-76.4	0	0	0	113.4	I102 V104 M153 C159 L214 F252	I102-F157 HydrophobicContact CB-CD1 3.71Å; I102-F157 HydrophobicContact CB-CE1 3.85Å; I102-F157 HydrophobicContact CD1-CE1 4.38Å; I102-F157 HydrophobicContact CG2-CD1 3.9Å; I102-F157 HydrophobicContact CG2-CE1 3.93Å; I102-F157 WeakPolarHBondContact O-CD1 3.49Å; V104-F157 HydrophobicContact CB-CB 4.36Å; V104-F157 HydrophobicContact CB-CG 4.46Å; V104-F157 HydrophobicContact CG2-CB 3.69Å; V104-F157 HydrophobicContact CG2-CD1 3.3Å; V104-F157 HydrophobicContact CG2-CD2 4.02Å; V104-F157 HydrophobicContact CG2-CE1 3.83Å; V104-F157 HydrophobicContact CG2-CE2 4.5Å; V104-F157 HydrophobicContact CG2-CG 3.39Å; V104-F157 HydrophobicContact CG2-CZ 4.38Å; M153-F157 HydrophobicContact CE-CD2 3.6Å; M153-F157 HydrophobicContact CE-CE2 3.89Å; M153-F157 HydrophobicContact CE-CG 4.35Å; M153-F157 PolarHBondContact O-N 3.39Å; M153-F157 HydrophobicContact SD-CD2 3.97Å; M153-F157 HydrophobicContact SD-CE2 3.99Å; F157-C159 PolarHBondContact O-N 3.01Å; F157-L214 HydrophobicContact CE1-CD1 4.46Å; F157-F252 HydrophobicContact CE2-CB 3.89Å; F157-F252 AromaticContact CE2-CD1 3.98Å; F157-F252 HydrophobicContact CE2-CD1 3.98Å; F157-F252 HydrophobicContact CE2-CG 4.35Å; F157-F252 HydrophobicContact CZ-CB 4.25Å; F157-F252 AromaticContact CZ-CD1 3.97Å; F157-F252 HydrophobicContact CZ-CD1 3.97Å; F157-F252 WeakPolarHBondContact CZ-O 3.33Å
158	E	98.6	Very high	97.9	Very high	8 Å²	8	27.1 Å²	27.1	4%	0.037	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	95.8	157.8	-176.6	-167.8	-165.9	0	0	108	D98 I102 C103 V104 R184 R208	D98-E158 HydrophobicContact CB-CB 4.04Å; D98-E158 HydrophobicContact CB-CG 4.17Å; I102-E158 PolarHBondContact O-N 3.23Å; C103-E158 CarbonylContact C-O 3.28Å; C103-E158 WeakPolarHBondContact CA-O 3.36Å; V104-E158 PolarHBondContact N-O 3.12Å; E158-R184 HydrophobicContact CG-CB 4.42Å; E158-R184 HydrophobicContact CG-CG 3.94Å; E158-R208 IonicContact OE1-CZ 2.87Å; E158-R208 IonicContact OE1-NE 2.68Å; E158-R208 PolarHBondContact OE1-NE 2.94Å; E158-R208 IonicContact OE1-NH2 3.85Å; E158-R208 PolarHBondContact OE1-NH2 3.26Å; E158-R208 WeakPolarHBondContact OE2-CD 3.28Å; E158-R208 IonicContact OE2-CZ 3.82Å; E158-R208 IonicContact OE2-NE 3.73Å; E158-R208 PolarHBondContact OE2-NE 2.84Å; E158-R208 IonicContact OE2-NH2 3.34Å
159	C	98.8	Very high	97.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.1	-178.3	-67.1	0	0	0	0	111.7	I106 F157 V182 F183 R184	I106-C159 HydrophobicContact CD1-CB 4.36Å; F157-C159 PolarHBondContact O-N 3.01Å; C159-V182 HydrophobicContact CB-CG1 3.71Å; C159-V182 WeakPolarHBondContact CB-O 3.46Å; C159-F183 HydrophobicContact CB-CD1 4.12Å; C159-F183 WeakPolarHBondContact O-CA 3.32Å; C159-R184 PolarHBondContact O-N 2.82Å
160	V	98.8	Very high	97.7	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	121.3	175.8	176.3	0	0	0	0	108.8	L91 V104 V105 I106 F162 A185 L187	L91-V160 HydrophobicContact CD1-CG2 3.82Å; L91-V160 HydrophobicContact CD2-CG1 3.97Å; L91-V160 HydrophobicContact CD2-CG2 4.02Å; V104-V160 PolarHBondContact O-N 2.87Å; V105-V160 CarbonylContact C-O 3.55Å; V105-V160 WeakPolarHBondContact CA-O 3.29Å; I106-V160 PolarHBondContact N-O 2.9Å; V160-F162 PolarHBondContact O-N 2.64Å; V160-A185 HydrophobicContact CG1-CB 4.35Å; V160-A185 HydrophobicContact CG2-CB 4.48Å; V160-L187 HydrophobicContact CG1-CD1 3.94Å; V160-L187 HydrophobicContact CG1-CG 4.11Å
161	L	98.8	Very high	97.6	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	124.8	167.9	-177.2	79.7	0	0	0	107.6	L108 T174 F183 A185 R186 L187	L108-L161 HydrophobicContact CB-CD1 4.13Å; L108-L161 HydrophobicContact CD1-CD1 4.3Å; L161-T174 HydrophobicContact CD2-CG2 4.09Å; L161-T174 WeakPolarHBondContact CD2-OG1 3.48Å; L161-F183 HydrophobicContact CB-CB 4.42Å; L161-F183 HydrophobicContact CB-CD1 3.75Å; L161-F183 HydrophobicContact CB-CD2 4.28Å; L161-F183 HydrophobicContact CB-CE1 3.99Å; L161-F183 HydrophobicContact CB-CE2 4.49Å; L161-F183 HydrophobicContact CB-CG 3.89Å; L161-F183 HydrophobicContact CB-CZ 4.35Å; L161-F183 HydrophobicContact CD1-CE1 4.18Å; L161-F183 HydrophobicContact CD1-CE2 4.1Å; L161-F183 HydrophobicContact CD1-CZ 3.85Å; L161-F183 VanDerWaalsContact N-CD1 3.3Å; L161-A185 PolarHBondContact N-O 2.98Å; L161-R186 HydrophobicContact CB-CB 4.4Å; L161-R186 HydrophobicContact CB-CG 4.15Å; L161-R186 HydrophobicContact CD2-CB 4.22Å; L161-R186 HydrophobicContact CD2-CG 4.04Å; L161-R186 CarbonylContact O-C 3.58Å; L161-R186 WeakPolarHBondContact O-CA 3.49Å; L161-L187 PolarHBondContact O-N 2.99Å
162	F	98.8	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	111.5	170.8	-162.8	168.3	0	0	0	108.4	L90 V105 I106 V160 L187 C192 K201 L206	L90-F162 HydrophobicContact CD1-CE1 4.32Å; L90-F162 HydrophobicContact CD1-CZ 4.33Å; V105-F162 HydrophobicContact CG1-CB 3.35Å; V105-F162 HydrophobicContact CG1-CD1 3.9Å; V105-F162 HydrophobicContact CG1-CG 4.11Å; I106-F162 PolarHBondContact O-N 2.75Å; V160-F162 PolarHBondContact O-N 2.64Å; F162-L187 CarbonylContact C-O 3.57Å; F162-L187 VanDerWaalsContact CA-O 3.28Å; F162-L187 WeakPolarHBondContact CA-O 3.42Å; F162-L187 HydrophobicContact CB-CB 4.13Å; F162-L187 HydrophobicContact CD1-CB 4.29Å; F162-L187 HydrophobicContact CD1-CD1 3.83Å; F162-L187 HydrophobicContact CD2-CB 3.48Å; F162-L187 VanDerWaalsContact CD2-CB 3.48Å; F162-L187 HydrophobicContact CD2-CD1 4.5Å; F162-L187 HydrophobicContact CE1-CD1 4.03Å; F162-L187 HydrophobicContact CE2-CB 3.88Å; F162-L187 HydrophobicContact CG-CB 3.71Å; F162-L187 HydrophobicContact CG-CD1 4.08Å; F162-L187 HydrophobicContact CZ-CB 4.44Å; F162-L187 HydrophobicContact CZ-CD1 4.45Å; F162-C192 HydrophobicContact CE2-CB 4.49Å; F162-C192 WeakPolarHBondContact CE2-SG 3.37Å; F162-K201 HydrophobicContact CB-CD 4.2Å; F162-K201 HydrophobicContact CD1-CB 3.85Å; F162-K201 HydrophobicContact CD1-CD 4.14Å; F162-K201 HydrophobicContact CD1-CG 3.94Å; F162-K201 HydrophobicContact CD2-CD 4.28Å; F162-K201 HydrophobicContact CD2-CG 4.08Å; F162-K201 HydrophobicContact CE1-CB 3.67Å; F162-K201 HydrophobicContact CE1-CG 3.96Å; F162-K201 HydrophobicContact CE2-CG 4.1Å; F162-K201 HydrophobicContact CG-CB 4.43Å; F162-K201 HydrophobicContact CG-CD 3.94Å; F162-K201 HydrophobicContact CG-CG 4Å; F162-K201 HydrophobicContact CZ-CB 4.11Å; F162-K201 HydrophobicContact CZ-CG 4.04Å; F162-K201 WeakPolarHBondContact O-CE 3.33Å; F162-K201 PolarHBondContact O-NZ 3.34Å; F162-L206 HydrophobicContact CD1-CD2 4.45Å; F162-L206 HydrophobicContact CE1-CD2 4.45Å
163	T	98.6	Very high	97.6	Very high	2 Å²	2	19 Å²	19	1%	0.012	11%	0.105	C	C	.	.			trans	-122.9	148.6	-178.5	177.1	0	0	0	0	111.5	S165 A170 L187 F188 R189	T163-S165 PolarHBondContact O-N 2.68Å; T163-S165 WeakPolarHBondContact OG1-CB 3.44Å; T163-S165 PolarHBondContact OG1-N 2.62Å; T163-A170 HydrophobicContact CG2-CB 3.74Å; T163-L187 PolarHBondContact N-O 2.95Å; T163-F188 HydrophobicContact CG2-CD1 3.98Å; T163-F188 CarbonylContact O-C 3.58Å; T163-F188 WeakPolarHBondContact O-CA 3.39Å; T163-R189 PolarHBondContact O-N 2.91Å
164	A	97.7	Very high	97.6	Very high	15 Å²	15	18.9 Å²	18.9	12%	0.124	11%	0.105	C	C	.	.	S	Bend	trans	-79	3.3	168.4	0	0	0	0	0	112.7	R189 Y199	A164-R189 VanDerWaalsContact O-CZ 3.23Å; A164-R189 PolarHBondContact O-NE 3.4Å; A164-R189 PolarHBondContact O-NH2 2.85Å; A164-Y199 HydrophobicContact CB-CD2 4.26Å; A164-Y199 HydrophobicContact CB-CG 4.21Å
165	S	96.6	Very high	97.5	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	12%	0.124	C	C	.	.	S	Bend	trans	-84.9	162.8	174.2	-73	0	0	0	0	112.3	D109 T163 R189	D109-S165 WeakPolarHBondContact OD2-CB 3.39Å; D109-S165 PolarHBondContact OD2-OG 3.41Å; T163-S165 PolarHBondContact O-N 2.68Å; T163-S165 WeakPolarHBondContact OG1-CB 3.44Å; T163-S165 PolarHBondContact OG1-N 2.62Å; S165-R189 PolarHBondContact O-N 3.26Å
166	L	94.8	Very high	97.5	Very high	25 Å²	25	22.5 Å²	22.5	13%	0.131	12%	0.123	C	C	.	.			trans	-80.5	144.5	178.5	-64.5	171.4	0	0	0	110.3	A10 E13 K168 Y169 A170 R189 E190	A10-L166 HydrophobicContact CB-CD1 4.27Å; E13-L166 VanDerWaalsContact OE2-CD1 3.25Å; E13-L166 WeakPolarHBondContact OE2-CD1 3.01Å; L166-K168 HydrophobicContact CB-CG 3.99Å; L166-K168 HydrophobicContact CD1-CD 4.39Å; L166-K168 VanDerWaalsContact CD1-CE 3.41Å; L166-K168 PolarHBondContact O-N 3.28Å; L166-K168 VanDerWaalsContact O-N 3.17Å; L166-Y169 PolarHBondContact O-N 3.06Å; L166-A170 PolarHBondContact O-N 2.86Å; L166-R189 HydrophobicContact CD2-CB 4.15Å; L166-E190 VanDerWaalsContact CD2-OE1 3.27Å; L166-E190 WeakPolarHBondContact CD2-OE1 3.4Å
167	A	96.1	Very high	97.5	Very high	28 Å²	28	21.1 Å²	21.1	23%	0.231	12%	0.116	C	C	.	.	H	α-helix	trans	-52.1	-39.7	178.4	0	0	0	0	0	113	Y169 A170 D171 F188	A167-Y169 CarbonylContact O-C 3.07Å; A167-Y169 PolarHBondContact O-N 2.8Å; A167-A170 PolarHBondContact O-N 2.97Å; A167-D171 WeakPolarHBondContact O-CB 3.45Å; A167-D171 PolarHBondContact O-N 3.16Å; A167-F188 HydrophobicContact CB-CB 4.46Å; A167-F188 HydrophobicContact CB-CD1 3.94Å; A167-F188 HydrophobicContact CB-CD2 3.66Å; A167-F188 HydrophobicContact CB-CE1 4.04Å; A167-F188 HydrophobicContact CB-CE2 3.77Å; A167-F188 HydrophobicContact CB-CG 3.74Å; A167-F188 HydrophobicContact CB-CZ 3.96Å
168	K	94.8	Very high	97.5	Very high	88 Å²	88	22 Å²	22	38%	0.383	12%	0.12	S	C	.	.	H	α-helix	trans	-50.1	-30.8	178.6	69.5	-176.5	175.4	-167.6	0	113.8	E13 I129 L166	E13-K168 IonicContact OE1-NZ 3.8Å; E13-K168 PolarHBondContact OE1-NZ 3.04Å; E13-K168 IonicContact OE2-NZ 3.79Å; E13-K168 PolarHBondContact OE2-NZ 3.3Å; E13-K168 VanDerWaalsContact OE2-NZ 3.09Å; I129-K168 WeakPolarHBondContact CD1-O 3.12Å; I129-K168 HydrophobicContact CG2-CD 4.31Å; I129-K168 HydrophobicContact CG2-CG 4.22Å; L166-K168 HydrophobicContact CB-CG 3.99Å; L166-K168 HydrophobicContact CD1-CD 4.39Å; L166-K168 VanDerWaalsContact CD1-CE 3.41Å; L166-K168 PolarHBondContact O-N 3.28Å; L166-K168 VanDerWaalsContact O-N 3.17Å
169	Y	96	Very high	97.2	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.027	15%	0.152	C	C	.	.	H	α-helix	trans	-99.4	-48.1	175.4	155.2	-98.5	0	0	0	112.5	I6 L108 D109 S115 V138 L166 A167 D171 P172 V173	I6-Y169 HydrophobicContact CD1-CD2 4.27Å; I6-Y169 HydrophobicContact CD1-CE2 3.96Å; L108-Y169 HydrophobicContact CD2-CE1 4.06Å; D109-Y169 VanDerWaalsContact OD1-CE1 3.29Å; D109-Y169 WeakPolarHBondContact OD1-CE1 3.34Å; D109-Y169 VanDerWaalsContact OD1-CZ 3.28Å; D109-Y169 PolarHBondContact OD1-OH 3.16Å; S115-Y169 WeakPolarHBondContact CB-OH 3.38Å; S115-Y169 PolarHBondContact OG-OH 3.23Å; V138-Y169 HydrophobicContact CG1-CD2 4.13Å; V138-Y169 HydrophobicContact CG1-CE2 3.81Å; L166-Y169 PolarHBondContact O-N 3.06Å; A167-Y169 CarbonylContact O-C 3.07Å; A167-Y169 PolarHBondContact O-N 2.8Å; Y169-D171 PolarHBondContact O-N 2.82Å; Y169-P172 WeakPolarHBondContact O-CD 3.18Å; Y169-V173 HydrophobicContact CD2-CG2 3.93Å; Y169-V173 HydrophobicContact CE2-CG2 3.47Å; Y169-V173 VanDerWaalsContact CE2-CG2 3.47Å; Y169-V173 WeakPolarHBondContact O-CG2 3.24Å; Y169-V173 PolarHBondContact O-N 3.13Å
170	A	97.6	Very high	96.9	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-66.3	-40	-171.5	0	0	0	0	0	112.4	L108 T163 L166 A167 V173 T174 F188	L108-A170 HydrophobicContact CD2-CB 3.88Å; T163-A170 HydrophobicContact CG2-CB 3.74Å; L166-A170 PolarHBondContact O-N 2.86Å; A167-A170 PolarHBondContact O-N 2.97Å; A170-V173 PolarHBondContact O-N 3Å; A170-T174 WeakPolarHBondContact O-CB 3.33Å; A170-T174 PolarHBondContact O-N 3.39Å; A170-T174 PolarHBondContact O-OG1 3Å; A170-F188 HydrophobicContact CB-CD1 3.8Å; A170-F188 HydrophobicContact CB-CE1 3.76Å
171	D	97.5	Very high	96.8	Very high	49 Å²	49	37 Å²	37	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-60.3	-55	-179.1	-87.7	-37.8	0	0	0	112.8	A167 Y169 V173 T174 D175 R186 F188	A167-D171 WeakPolarHBondContact O-CB 3.45Å; A167-D171 PolarHBondContact O-N 3.16Å; Y169-D171 PolarHBondContact O-N 2.82Å; D171-V173 PolarHBondContact O-N 2.79Å; D171-T174 PolarHBondContact O-N 3.47Å; D171-T174 VanDerWaalsContact O-N 3.17Å; D171-D175 VanDerWaalsContact O-CG 3.26Å; D171-D175 PolarHBondContact O-N 3Å; D171-R186 PolarHBondContact O-NH1 2.85Å; D171-R186 WeakPolarHBondContact OD1-CD 3.47Å; D171-R186 IonicContact OD1-CZ 3.86Å; D171-R186 IonicContact OD1-NE 2.73Å; D171-R186 IonicContact OD1-NH1 3.48Å; D171-R186 PolarHBondContact OD1-NH1 3.22Å; D171-F188 VanDerWaalsContact OD1-CZ 3.26Å; D171-F188 WeakPolarHBondContact OD1-CZ 3.48Å; D171-F188 WeakPolarHBondContact OD2-CZ 3.06Å
172	P	97	Very high	96.7	Very high	42 Å²	42	37.3 Å²	37.3	27%	0.273	21%	0.205	S	C	.	.	H	α-helix	trans	-59	-34.7	177.7	-25.7	32.3	0	0	0	114	V127 Y169 L176	V127-P172 HydrophobicContact CG1-CB 3.49Å; V127-P172 VanDerWaalsContact CG1-CB 3.49Å; V127-P172 HydrophobicContact CG1-CG 4.13Å; Y169-P172 WeakPolarHBondContact O-CD 3.18Å; P172-L176 WeakPolarHBondContact O-CG 3.19Å; P172-L176 PolarHBondContact O-N 3.47Å
173	V	97.8	Very high	96.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-67.7	-47.3	176.8	172.9	0	0	0	0	110.5	L108 V113 V127 V140 Y169 A170 D171 D175 L176 L177	L108-V173 HydrophobicContact CD1-CG1 4.23Å; L108-V173 HydrophobicContact CD2-CG1 4.39Å; V113-V173 HydrophobicContact CG1-CG1 4.44Å; V113-V173 HydrophobicContact CG2-CG1 4.18Å; V127-V173 HydrophobicContact CG2-CG2 4.01Å; V140-V173 HydrophobicContact CG1-CG1 4.14Å; V140-V173 HydrophobicContact CG2-CG2 3.94Å; Y169-V173 HydrophobicContact CD2-CG2 3.93Å; Y169-V173 HydrophobicContact CE2-CG2 3.47Å; Y169-V173 VanDerWaalsContact CE2-CG2 3.47Å; Y169-V173 WeakPolarHBondContact O-CG2 3.24Å; Y169-V173 PolarHBondContact O-N 3.13Å; A170-V173 PolarHBondContact O-N 3Å; D171-V173 PolarHBondContact O-N 2.79Å; V173-D175 VanDerWaalsContact C-N 3.35Å; V173-D175 PolarHBondContact O-N 3.47Å; V173-L176 PolarHBondContact O-N 3.17Å; V173-L177 WeakPolarHBondContact O-CB 3.29Å; V173-L177 PolarHBondContact O-N 3.18Å
174	T	98.2	Very high	96.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-65.4	-37.1	179.1	-57.3	0	0	0	0	111.9	L161 A170 D171 L176 L177 D178 F183	L161-T174 HydrophobicContact CD2-CG2 4.09Å; L161-T174 WeakPolarHBondContact CD2-OG1 3.48Å; A170-T174 WeakPolarHBondContact O-CB 3.33Å; A170-T174 PolarHBondContact O-N 3.39Å; A170-T174 PolarHBondContact O-OG1 3Å; D171-T174 PolarHBondContact O-N 3.47Å; D171-T174 VanDerWaalsContact O-N 3.17Å; T174-L176 PolarHBondContact O-N 2.92Å; T174-L177 PolarHBondContact O-N 2.94Å; T174-D178 HydrophobicContact CG2-CB 4.16Å; T174-D178 WeakPolarHBondContact O-CB 3.21Å; T174-D178 PolarHBondContact O-N 2.84Å; T174-F183 HydrophobicContact CG2-CD2 3.52Å; T174-F183 HydrophobicContact CG2-CE2 3.86Å
175	D	97.7	Very high	96.7	Very high	101 Å²	101	42.3 Å²	42.3	54%	0.54	23%	0.226	S	C	.	.	H	α-helix	trans	-60.5	-33.2	175.6	-71.2	-15.7	0	0	0	112.8	D171 V173 R186	D171-D175 VanDerWaalsContact O-CG 3.26Å; D171-D175 PolarHBondContact O-N 3Å; V173-D175 VanDerWaalsContact C-N 3.35Å; V173-D175 PolarHBondContact O-N 3.47Å; D175-R186 IonicContact OD1-CZ 3Å; D175-R186 IonicContact OD1-NH1 2.84Å; D175-R186 PolarHBondContact OD1-NH1 2.95Å; D175-R186 IonicContact OD1-NH2 3.77Å; D175-R186 PolarHBondContact OD1-NH2 2.59Å
176	L	97.6	Very high	96.8	Very high	75 Å²	75	45.6 Å²	45.6	39%	0.393	24%	0.238	S	C	.	.	H	α-helix	trans	-82.3	-31.1	177.3	-66.6	171.4	0	0	0	112.9	F125 V127 P172 V173 T174	F125-L176 HydrophobicContact CB-CD1 3.81Å; F125-L176 HydrophobicContact CD1-CB 3.92Å; F125-L176 HydrophobicContact CD1-CD1 4.06Å; F125-L176 HydrophobicContact CD1-CG 4.48Å; F125-L176 HydrophobicContact CD2-CB 3.96Å; F125-L176 HydrophobicContact CD2-CD1 4.34Å; F125-L176 HydrophobicContact CE1-CB 3.86Å; F125-L176 HydrophobicContact CE2-CB 3.86Å; F125-L176 HydrophobicContact CG-CB 3.99Å; F125-L176 HydrophobicContact CG-CD1 3.82Å; F125-L176 HydrophobicContact CZ-CB 3.81Å; F125-L176 WeakPolarHBondContact CZ-O 3.38Å; V127-L176 HydrophobicContact CG2-CD1 4.03Å; P172-L176 WeakPolarHBondContact O-CG 3.19Å; P172-L176 PolarHBondContact O-N 3.47Å; V173-L176 PolarHBondContact O-N 3.17Å; T174-L176 PolarHBondContact O-N 2.92Å
177	L	98.1	Very high	97	Very high	2 Å²	2	45 Å²	45	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-81.3	-52.3	-177.9	-174.2	68.1	0	0	0	112.4	L108 L112 V113 F125 K142 V146 L150 V173 T174 R179	L108-L177 HydrophobicContact CD1-CD2 4.37Å; L112-L177 HydrophobicContact CB-CD2 4.12Å; L112-L177 HydrophobicContact CD1-CD2 4.13Å; V113-L177 HydrophobicContact CG1-CD1 4.22Å; V113-L177 HydrophobicContact CG1-CD2 3.97Å; F125-L177 HydrophobicContact CE2-CB 4.29Å; F125-L177 HydrophobicContact CE2-CD1 4.41Å; K142-L177 HydrophobicContact CD-CD1 4.34Å; K142-L177 HydrophobicContact CG-CD1 4.14Å; V146-L177 HydrophobicContact CG1-CD1 3.84Å; V146-L177 HydrophobicContact CG2-CD1 3.98Å; V146-L177 HydrophobicContact CG2-CD2 4.35Å; L150-L177 HydrophobicContact CD1-CD1 4.48Å; L150-L177 HydrophobicContact CD1-CD2 3.92Å; L150-L177 HydrophobicContact CD1-CG 3.78Å; V173-L177 WeakPolarHBondContact O-CB 3.29Å; V173-L177 PolarHBondContact O-N 3.18Å; T174-L177 PolarHBondContact O-N 2.94Å; L177-R179 PolarHBondContact O-N 2.97Å; L177-R179 VanDerWaalsContact O-N 3.11Å
178	D	97.9	Very high	97.1	Very high	18 Å²	18	45 Å²	45	10%	0.096	23%	0.23	C	C	.	.			trans	-86.3	79.3	-174.5	-177.6	12.4	0	0	0	111.7	T174 C180 G181 V182 F183	T174-D178 HydrophobicContact CG2-CB 4.16Å; T174-D178 WeakPolarHBondContact O-CB 3.21Å; T174-D178 PolarHBondContact O-N 2.84Å; D178-C180 PolarHBondContact O-N 2.99Å; D178-C180 PolarHBondContact OD1-N 3.29Å; D178-G181 PolarHBondContact OD1-N 3.27Å; D178-V182 VanDerWaalsContact CG-N 3.27Å; D178-V182 WeakPolarHBondContact OD1-CB 3.02Å; D178-V182 WeakPolarHBondContact OD1-CG2 3.42Å; D178-V182 PolarHBondContact OD1-N 3.09Å; D178-V182 PolarHBondContact OD2-N 2.83Å; D178-F183 HydrophobicContact CB-CD2 3.87Å; D178-F183 HydrophobicContact CB-CE2 4.19Å; D178-F183 WeakPolarHBondContact OD2-CD2 3.42Å; D178-F183 PolarHBondContact OD2-N 3.34Å
179	R	92.8	Very high	97.2	Very high	187 Å²	187	41.5 Å²	41.5	71%	0.706	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-11.8	-180	-61	-179.4	-178.7	-179	-0	114	L177	L177-R179 PolarHBondContact O-N 2.97Å; L177-R179 VanDerWaalsContact O-N 3.11Å
180	C	92.6	Very high	97.1	Very high	96 Å²	96	47.2 Å²	47.2	65%	0.649	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.5	-1	-172	-64.1	0	0	0	0	113.2	D178 V182	D178-C180 PolarHBondContact O-N 2.99Å; D178-C180 PolarHBondContact OD1-N 3.29Å; C180-V182 HydrophobicContact CB-CG2 4.06Å
181	G	95.7	Very high	97.1	Very high	42 Å²	42	48.3 Å²	48.3	43%	0.433	25%	0.249	S	C	.	.			trans	68.4	37.4	-177.1	0	0	0	0	0	112.6	D178 R184	D178-G181 PolarHBondContact OD1-N 3.27Å; G181-R184 PolarHBondContact O-NH1 2.82Å
182	V	97.9	Very high	97.1	Very high	5 Å²	5	46.5 Å²	46.5	3%	0.03	24%	0.24	C	C	.	.			trans	-63.1	-45.5	179.5	173.4	0	0	0	0	110.5	L150 C159 D178 C180 R184	L150-V182 HydrophobicContact CB-CG2 4.26Å; L150-V182 HydrophobicContact CD2-CG1 4.46Å; L150-V182 WeakPolarHBondContact O-CG1 3.27Å; L150-V182 WeakPolarHBondContact O-CG2 3.35Å; C159-V182 HydrophobicContact CB-CG1 3.71Å; C159-V182 WeakPolarHBondContact CB-O 3.46Å; D178-V182 VanDerWaalsContact CG-N 3.27Å; D178-V182 WeakPolarHBondContact OD1-CB 3.02Å; D178-V182 WeakPolarHBondContact OD1-CG2 3.42Å; D178-V182 PolarHBondContact OD1-N 3.09Å; D178-V182 PolarHBondContact OD2-N 2.83Å; C180-V182 HydrophobicContact CB-CG2 4.06Å; V182-R184 PolarHBondContact O-N 3.01Å
183	F	98.5	Very high	97.1	Very high	19 Å²	19	45.9 Å²	45.9	8%	0.083	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	114.1	-176.1	-63.6	-60.8	0	0	0	112	I106 L112 L150 C159 L161 T174 D178 A185	I106-F183 HydrophobicContact CB-CE1 4.08Å; I106-F183 HydrophobicContact CD1-CE1 4.14Å; L112-F183 HydrophobicContact CD1-CZ 3.9Å; L150-F183 HydrophobicContact CD1-CE2 4.45Å; L150-F183 HydrophobicContact CD2-CE1 4.37Å; L150-F183 HydrophobicContact CD2-CE2 4.21Å; L150-F183 HydrophobicContact CD2-CZ 3.68Å; C159-F183 HydrophobicContact CB-CD1 4.12Å; C159-F183 WeakPolarHBondContact O-CA 3.32Å; L161-F183 HydrophobicContact CB-CB 4.42Å; L161-F183 HydrophobicContact CB-CD1 3.75Å; L161-F183 HydrophobicContact CB-CD2 4.28Å; L161-F183 HydrophobicContact CB-CE1 3.99Å; L161-F183 HydrophobicContact CB-CE2 4.49Å; L161-F183 HydrophobicContact CB-CG 3.89Å; L161-F183 HydrophobicContact CB-CZ 4.35Å; L161-F183 HydrophobicContact CD1-CE1 4.18Å; L161-F183 HydrophobicContact CD1-CE2 4.1Å; L161-F183 HydrophobicContact CD1-CZ 3.85Å; L161-F183 VanDerWaalsContact N-CD1 3.3Å; T174-F183 HydrophobicContact CG2-CD2 3.52Å; T174-F183 HydrophobicContact CG2-CE2 3.86Å; D178-F183 HydrophobicContact CB-CD2 3.87Å; D178-F183 HydrophobicContact CB-CE2 4.19Å; D178-F183 WeakPolarHBondContact OD2-CD2 3.42Å; D178-F183 PolarHBondContact OD2-N 3.34Å; F183-A185 VanDerWaalsContact C-N 3.35Å
184	R	97.5	Very high	96.9	Very high	81 Å²	81	51.4 Å²	51.4	31%	0.306	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	-30.8	177.4	-49.1	-47.3	-160	-170.2	9.1	112.4	E97 D98 R101 E158 C159 G181 V182	E97-R184 IonicContact OE1-CZ 2.76Å; E97-R184 IonicContact OE1-NH2 3.45Å; E97-R184 PolarHBondContact OE1-NH2 2.79Å; E97-R184 IonicContact OE2-NH2 3.54Å; D98-R184 IonicContact OD1-CZ 3.18Å; D98-R184 IonicContact OD1-NE 2.62Å; D98-R184 PolarHBondContact OD1-NE 3.04Å; D98-R184 IonicContact OD1-NH2 2.68Å; D98-R184 PolarHBondContact OD1-NH2 3.39Å; D98-R184 WeakPolarHBondContact OD2-CG 3.36Å; D98-R184 IonicContact OD2-CZ 3.14Å; D98-R184 IonicContact OD2-NE 2.74Å; D98-R184 PolarHBondContact OD2-NE 3.07Å; D98-R184 IonicContact OD2-NH2 2.71Å; R101-R184 VanDerWaalsContact NH1-NH2 3.19Å; E158-R184 HydrophobicContact CG-CB 4.42Å; E158-R184 HydrophobicContact CG-CG 3.94Å; C159-R184 PolarHBondContact O-N 2.82Å; G181-R184 PolarHBondContact O-NH1 2.82Å; V182-R184 PolarHBondContact O-N 3.01Å
185	A	98.2	Very high	96.6	Very high	23 Å²	23	53 Å²	53	19%	0.19	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	156.3	176.9	0	0	0	0	0	110.5	L91 V160 L161 F183	L91-A185 HydrophobicContact CD2-CB 3.56Å; V160-A185 HydrophobicContact CG1-CB 4.35Å; V160-A185 HydrophobicContact CG2-CB 4.48Å; L161-A185 PolarHBondContact N-O 2.98Å; F183-A185 VanDerWaalsContact C-N 3.35Å
186	R	98.6	Very high	96.4	Very high	69 Å²	69	55.8 Å²	55.8	26%	0.26	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.9	175.2	-57	-179.7	-174.4	173.5	0.2	109.4	L161 D171 D175 F188	L161-R186 HydrophobicContact CB-CB 4.4Å; L161-R186 HydrophobicContact CB-CG 4.15Å; L161-R186 HydrophobicContact CD2-CB 4.22Å; L161-R186 HydrophobicContact CD2-CG 4.04Å; L161-R186 CarbonylContact O-C 3.58Å; L161-R186 WeakPolarHBondContact O-CA 3.49Å; D171-R186 PolarHBondContact O-NH1 2.85Å; D171-R186 WeakPolarHBondContact OD1-CD 3.47Å; D171-R186 IonicContact OD1-CZ 3.86Å; D171-R186 IonicContact OD1-NE 2.73Å; D171-R186 IonicContact OD1-NH1 3.48Å; D171-R186 PolarHBondContact OD1-NH1 3.22Å; D175-R186 IonicContact OD1-CZ 3Å; D175-R186 IonicContact OD1-NH1 2.84Å; D175-R186 PolarHBondContact OD1-NH1 2.95Å; D175-R186 IonicContact OD1-NH2 3.77Å; D175-R186 PolarHBondContact OD1-NH2 2.59Å; R186-F188 HydrophobicContact CB-CE1 4.03Å; R186-F188 HydrophobicContact CB-CE2 4.08Å; R186-F188 HydrophobicContact CB-CZ 3.5Å; R186-F188 VanDerWaalsContact CB-CZ 3.5Å
187	L	98.6	Very high	96.1	Very high	12 Å²	12	53.7 Å²	53.7	6%	0.063	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.7	178.1	-60.4	177.8	0	0	0	108.3	L90 L91 V160 L161 F162 T163 L206	L90-L187 HydrophobicContact CB-CD1 4.05Å; L90-L187 HydrophobicContact CB-CD2 4.1Å; L90-L187 HydrophobicContact CD1-CD1 4.18Å; L91-L187 HydrophobicContact CD2-CD1 4.1Å; L91-L187 HydrophobicContact CD2-CD2 4.47Å; L91-L187 HydrophobicContact CD2-CG 4.4Å; V160-L187 HydrophobicContact CG1-CD1 3.94Å; V160-L187 HydrophobicContact CG1-CG 4.11Å; L161-L187 PolarHBondContact O-N 2.99Å; F162-L187 CarbonylContact C-O 3.57Å; F162-L187 VanDerWaalsContact CA-O 3.28Å; F162-L187 WeakPolarHBondContact CA-O 3.42Å; F162-L187 HydrophobicContact CB-CB 4.13Å; F162-L187 HydrophobicContact CD1-CB 4.29Å; F162-L187 HydrophobicContact CD1-CD1 3.83Å; F162-L187 HydrophobicContact CD2-CB 3.48Å; F162-L187 VanDerWaalsContact CD2-CB 3.48Å; F162-L187 HydrophobicContact CD2-CD1 4.5Å; F162-L187 HydrophobicContact CE1-CD1 4.03Å; F162-L187 HydrophobicContact CE2-CB 3.88Å; F162-L187 HydrophobicContact CG-CB 3.71Å; F162-L187 HydrophobicContact CG-CD1 4.08Å; F162-L187 HydrophobicContact CZ-CB 4.44Å; F162-L187 HydrophobicContact CZ-CD1 4.45Å; T163-L187 PolarHBondContact N-O 2.95Å; L187-L206 HydrophobicContact CD1-CD2 3.65Å
188	F	98.1	Very high	95.8	Very high	29 Å²	29	55.9 Å²	55.9	13%	0.127	29%	0.288	C	S	.	.			trans	-113.2	-171.8	-174.8	-50.4	-73.2	0	0	0	110.6	T163 A167 A170 D171 R186 E190 S191	T163-F188 HydrophobicContact CG2-CD1 3.98Å; T163-F188 CarbonylContact O-C 3.58Å; T163-F188 WeakPolarHBondContact O-CA 3.39Å; A167-F188 HydrophobicContact CB-CB 4.46Å; A167-F188 HydrophobicContact CB-CD1 3.94Å; A167-F188 HydrophobicContact CB-CD2 3.66Å; A167-F188 HydrophobicContact CB-CE1 4.04Å; A167-F188 HydrophobicContact CB-CE2 3.77Å; A167-F188 HydrophobicContact CB-CG 3.74Å; A167-F188 HydrophobicContact CB-CZ 3.96Å; A170-F188 HydrophobicContact CB-CD1 3.8Å; A170-F188 HydrophobicContact CB-CE1 3.76Å; D171-F188 VanDerWaalsContact OD1-CZ 3.26Å; D171-F188 WeakPolarHBondContact OD1-CZ 3.48Å; D171-F188 WeakPolarHBondContact OD2-CZ 3.06Å; R186-F188 HydrophobicContact CB-CE1 4.03Å; R186-F188 HydrophobicContact CB-CE2 4.08Å; R186-F188 HydrophobicContact CB-CZ 3.5Å; R186-F188 VanDerWaalsContact CB-CZ 3.5Å; F188-E190 WeakPolarHBondContact CB-OE2 3.26Å; F188-E190 PolarHBondContact O-N 3.36Å; F188-S191 WeakPolarHBondContact O-CA 3.17Å; F188-S191 VanDerWaalsContact O-CB 3.31Å; F188-S191 WeakPolarHBondContact O-CB 3.45Å; F188-S191 PolarHBondContact O-N 3.49Å
189	R	96.8	Very high	95.8	Very high	14 Å²	14	57 Å²	57	5%	0.053	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-46.7	-40.9	179.8	-178.4	173	-68.1	154.4	11.7	114.2	T163 A164 S165 L166 S191 C192 Y199	T163-R189 PolarHBondContact O-N 2.91Å; A164-R189 VanDerWaalsContact O-CZ 3.23Å; A164-R189 PolarHBondContact O-NE 3.4Å; A164-R189 PolarHBondContact O-NH2 2.85Å; S165-R189 PolarHBondContact O-N 3.26Å; L166-R189 HydrophobicContact CD2-CB 4.15Å; R189-S191 PolarHBondContact O-N 2.65Å; R189-C192 VanDerWaalsContact O-CB 3.3Å; R189-C192 WeakPolarHBondContact O-CB 3.42Å; R189-C192 PolarHBondContact O-N 3.39Å; R189-Y199 WeakPolarHBondContact CD-OH 3.4Å; R189-Y199 HydrophobicContact CG-CD1 4.09Å; R189-Y199 HydrophobicContact CG-CE1 3.61Å; R189-Y199 HydrophobicContact CG-CE2 4.37Å
190	E	95.3	Very high	96	Very high	128 Å²	128	48.2 Å²	48.2	60%	0.598	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-66.2	-19.9	-177.2	-57.6	74.5	-161.3	0	0	112.4	L166 F188	L166-E190 VanDerWaalsContact CD2-OE1 3.27Å; L166-E190 WeakPolarHBondContact CD2-OE1 3.4Å; F188-E190 WeakPolarHBondContact CB-OE2 3.26Å; F188-E190 PolarHBondContact O-N 3.36Å
191	S	97.2	Very high	96.3	Very high	22 Å²	22	43.7 Å²	43.7	15%	0.154	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-85.6	-22.6	174.5	-58.7	0	0	0	0	112.6	F188 R189 R205	F188-S191 WeakPolarHBondContact O-CA 3.17Å; F188-S191 VanDerWaalsContact O-CB 3.31Å; F188-S191 WeakPolarHBondContact O-CB 3.45Å; F188-S191 PolarHBondContact O-N 3.49Å; R189-S191 PolarHBondContact O-N 2.65Å; S191-R205 PolarHBondContact O-NH1 3.24Å; S191-R205 VanDerWaalsContact O-NH1 3.12Å
192	C	97	Very high	96.4	Very high	12 Å²	12	42.6 Å²	42.6	8%	0.081	21%	0.212	C	C	.	.	S	Bend	trans	-65.4	157.5	173.1	-60.4	0	0	0	0	110.8	F162 R189 Y199 V200	F162-C192 HydrophobicContact CE2-CB 4.49Å; F162-C192 WeakPolarHBondContact CE2-SG 3.37Å; R189-C192 VanDerWaalsContact O-CB 3.3Å; R189-C192 WeakPolarHBondContact O-CB 3.42Å; R189-C192 PolarHBondContact O-N 3.39Å; C192-Y199 HydrophobicContact CB-CD1 3.82Å; C192-Y199 HydrophobicContact CB-CG 4.33Å; C192-V200 WeakPolarHBondContact CA-O 3.43Å
193	V	96.1	Very high	96.4	Very high	28 Å²	28	42.3 Å²	42.3	17%	0.17	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	129.7	167.6	-158	0	0	0	0	109.5	Y80 H195 V200 D202	Y80-V193 HydrophobicContact CE1-CG1 4.02Å; Y80-V193 HydrophobicContact CE2-CG1 3.52Å; Y80-V193 WeakPolarHBondContact OH-CB 3.45Å; Y80-V193 WeakPolarHBondContact OH-CG1 3.25Å; V193-H195 PolarHBondContact O-N 3.24Å; V193-V200 PolarHBondContact N-O 3.27Å; V193-V200 PolarHBondContact O-N 3.1Å; V193-D202 HydrophobicContact CG2-CB 3.95Å
194	F	94.3	Very high	96.4	Very high	117 Å²	117	44.6 Å²	44.6	51%	0.513	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	106.7	178	-167.8	-109.9	0	0	0	110	C198 Y199	F194-C198 WeakPolarHBondContact CA-O 3.19Å; F194-Y199 HydrophobicContact CB-CE1 4.46Å; F194-Y199 HydrophobicContact CD2-CD1 4.01Å; F194-Y199 AromaticContact CD2-CE1 3.76Å; F194-Y199 HydrophobicContact CD2-CE1 3.76Å; F194-Y199 HydrophobicContact CD2-CE2 4.42Å; F194-Y199 HydrophobicContact CD2-CG 4.43Å; F194-Y199 AromaticContact CD2-CZ 3.97Å; F194-Y199 HydrophobicContact CE2-CE2 4.48Å
195	H	92.3	Very high	96.4	Very high	34 Å²	34	45.4 Å²	45.4	16%	0.157	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	123.2	-175.7	-173.7	80.6	0	0	0	110.4	Y80 V193 G197 C198 V200 F225	Y80-H195 HydrophobicContact CE2-CB 4.19Å; Y80-H195 AromaticContact CE2-ND1 3.68Å; Y80-H195 AromaticContact CZ-ND1 3.92Å; V193-H195 PolarHBondContact O-N 3.24Å; H195-G197 PolarHBondContact O-N 3.07Å; H195-G197 VanDerWaalsContact O-N 3.09Å; H195-C198 PolarHBondContact N-O 2.87Å; H195-C198 PolarHBondContact O-N 3.06Å; H195-V200 HydrophobicContact CB-CG2 3.77Å; H195-F225 HydrophobicContact CB-CZ 4.04Å; H195-F225 AromaticContact CD2-CE1 3.88Å; H195-F225 AromaticContact CD2-CZ 3.95Å; H195-F225 AromaticContact CG-CZ 3.66Å; H195-F225 AromaticContact ND1-CZ 3.77Å; H195-F225 AromaticContact NE2-CE1 3.93Å
196	Q	92.8	Very high	96.4	Very high	159 Å²	159	44.3 Å²	44.3	74%	0.743	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	36.8	176.9	-63.4	-178.1	-13.4	0	0	114.5	C198	Q196-C198 VanDerWaalsContact C-N 3.34Å
197	G	91.8	Very high	96.3	Very high	31 Å²	31	42.7 Å²	42.7	32%	0.32	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	0.9	179.2	0	0	0	0	0	115.3	R11 H195	R11-G197 PolarHBondContact NH2-O 3.32Å; H195-G197 PolarHBondContact O-N 3.07Å; H195-G197 VanDerWaalsContact O-N 3.09Å
198	C	92.9	Very high	96.2	Very high	47 Å²	47	43.9 Å²	43.9	32%	0.318	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	151.9	179.5	-63.4	0	0	0	0	111.2	F194 H195 Q196 A221	F194-C198 WeakPolarHBondContact CA-O 3.19Å; H195-C198 PolarHBondContact N-O 2.87Å; H195-C198 PolarHBondContact O-N 3.06Å; Q196-C198 VanDerWaalsContact C-N 3.34Å; C198-A221 HydrophobicContact CB-CB 4.28Å
199	Y	97	Very high	96.2	Very high	43 Å²	43	46.1 Å²	46.1	17%	0.169	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	116.3	168.5	-73.6	-69.9	0	0	0	108.7	D14 A164 R189 C192 F194	D14-Y199 PolarHBondContact OD2-OH 3.49Å; A164-Y199 HydrophobicContact CB-CD2 4.26Å; A164-Y199 HydrophobicContact CB-CG 4.21Å; R189-Y199 WeakPolarHBondContact CD-OH 3.4Å; R189-Y199 HydrophobicContact CG-CD1 4.09Å; R189-Y199 HydrophobicContact CG-CE1 3.61Å; R189-Y199 HydrophobicContact CG-CE2 4.37Å; C192-Y199 HydrophobicContact CB-CD1 3.82Å; C192-Y199 HydrophobicContact CB-CG 4.33Å; F194-Y199 HydrophobicContact CB-CE1 4.46Å; F194-Y199 HydrophobicContact CD2-CD1 4.01Å; F194-Y199 AromaticContact CD2-CE1 3.76Å; F194-Y199 HydrophobicContact CD2-CE1 3.76Å; F194-Y199 HydrophobicContact CD2-CE2 4.42Å; F194-Y199 HydrophobicContact CD2-CG 4.43Å; F194-Y199 AromaticContact CD2-CZ 3.97Å; F194-Y199 HydrophobicContact CE2-CE2 4.48Å
200	V	97.9	Very high	96.3	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132.2	-177.9	-177.4	0	0	0	0	109.9	C192 V193 H195 D202 I224 F225	C192-V200 WeakPolarHBondContact CA-O 3.43Å; V193-V200 PolarHBondContact N-O 3.27Å; V193-V200 PolarHBondContact O-N 3.1Å; H195-V200 HydrophobicContact CB-CG2 3.77Å; V200-D202 PolarHBondContact O-N 3.24Å; V200-I224 HydrophobicContact CB-CG2 4.45Å; V200-I224 HydrophobicContact CG1-CG2 3.82Å; V200-I224 HydrophobicContact CG2-CG2 3.69Å; V200-F225 HydrophobicContact CB-CE2 4.23Å; V200-F225 HydrophobicContact CG1-CD2 3.55Å; V200-F225 HydrophobicContact CG1-CE2 3.67Å; V200-F225 HydrophobicContact CG1-CG 3.99Å; V200-F225 HydrophobicContact CG1-CZ 4.22Å
201	K	98.4	Very high	96.4	Very high	1 Å²	1	47.6 Å²	47.6	0%	0.004	25%	0.247	C	C	.	.			trans	-89.8	84	175.2	-60.7	176	-173.4	176.6	0	108.1	V105 D107 F162 L203 I215 D217 S222	V105-K201 HydrophobicContact CG1-CD 4.49Å; D107-K201 VanDerWaalsContact CB-NZ 3.27Å; D107-K201 VanDerWaalsContact CG-NZ 3.25Å; D107-K201 IonicContact OD1-NZ 3.82Å; D107-K201 PolarHBondContact OD1-NZ 2.98Å; F162-K201 HydrophobicContact CB-CD 4.2Å; F162-K201 HydrophobicContact CD1-CB 3.85Å; F162-K201 HydrophobicContact CD1-CD 4.14Å; F162-K201 HydrophobicContact CD1-CG 3.94Å; F162-K201 HydrophobicContact CD2-CD 4.28Å; F162-K201 HydrophobicContact CD2-CG 4.08Å; F162-K201 HydrophobicContact CE1-CB 3.67Å; F162-K201 HydrophobicContact CE1-CG 3.96Å; F162-K201 HydrophobicContact CE2-CG 4.1Å; F162-K201 HydrophobicContact CG-CB 4.43Å; F162-K201 HydrophobicContact CG-CD 3.94Å; F162-K201 HydrophobicContact CG-CG 4Å; F162-K201 HydrophobicContact CZ-CB 4.11Å; F162-K201 HydrophobicContact CZ-CG 4.04Å; F162-K201 WeakPolarHBondContact O-CE 3.33Å; F162-K201 PolarHBondContact O-NZ 3.34Å; K201-L203 PolarHBondContact O-N 3.34Å; K201-I215 HydrophobicContact CB-CD1 3.98Å; K201-I215 HydrophobicContact CD-CD1 3.8Å; K201-D217 VanDerWaalsContact CE-OD2 3.24Å; K201-D217 WeakPolarHBondContact CE-OD2 3.46Å; K201-D217 IonicContact NZ-OD2 2.79Å; K201-D217 PolarHBondContact NZ-OD2 2.95Å; K201-S222 PolarHBondContact N-O 3.04Å
202	D	97.8	Very high	96.4	Very high	19 Å²	19	49.5 Å²	49.5	10%	0.102	25%	0.253	C	S	.	.			trans	-71.1	97.7	179.7	-175.3	-0.1	0	0	0	110.8	V193 V200 S204 R205 F225 H226	V193-D202 HydrophobicContact CG2-CB 3.95Å; V200-D202 PolarHBondContact O-N 3.24Å; D202-S204 VanDerWaalsContact CG-OG 3.24Å; D202-S204 PolarHBondContact O-N 3.15Å; D202-S204 WeakPolarHBondContact OD1-CB 3.14Å; D202-S204 PolarHBondContact OD1-N 2.82Å; D202-S204 PolarHBondContact OD1-OG 2.81Å; D202-S204 PolarHBondContact OD2-OG 2.71Å; D202-R205 HydrophobicContact CB-CG 4.16Å; D202-R205 WeakPolarHBondContact O-CB 3.38Å; D202-R205 PolarHBondContact O-N 2.76Å; D202-F225 HydrophobicContact CB-CD2 4.07Å; D202-F225 HydrophobicContact CB-CE2 4.49Å; D202-H226 IonicContact OD1-CD2 2.92Å; D202-H226 IonicContact OD1-CE1 2.76Å; D202-H226 IonicContact OD1-NE2 2.71Å; D202-H226 PolarHBondContact OD1-NE2 2.99Å
203	L	98.4	Very high	96.5	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-60.9	-25.2	-176.8	-53.3	-174.3	0	0	0	112.9	V105 K201 R205 L206 L210 T213 I215 H226 N229	V105-L203 HydrophobicContact CB-CD2 4.4Å; V105-L203 HydrophobicContact CG2-CD2 4.01Å; K201-L203 PolarHBondContact O-N 3.34Å; L203-R205 PolarHBondContact O-N 3.46Å; L203-R205 VanDerWaalsContact O-N 3.12Å; L203-L206 HydrophobicContact CB-CD1 4.1Å; L203-L206 HydrophobicContact CD2-CD1 3.92Å; L203-L206 WeakPolarHBondContact O-CB 3.35Å; L203-L206 WeakPolarHBondContact O-CG 3.49Å; L203-L206 PolarHBondContact O-N 2.91Å; L203-L206 VanDerWaalsContact O-N 3.07Å; L203-L210 HydrophobicContact CB-CD2 3.66Å; L203-T213 HydrophobicContact CB-CG2 4.46Å; L203-T213 HydrophobicContact CD1-CG2 4.18Å; L203-I215 HydrophobicContact CD1-CB 4.2Å; L203-I215 HydrophobicContact CD1-CG2 3.96Å; L203-I215 HydrophobicContact CD2-CB 4.25Å; L203-I215 HydrophobicContact CD2-CD1 4.08Å; L203-H226 HydrophobicContact CB-CB 4.44Å; L203-H226 HydrophobicContact CD1-CB 3.63Å; L203-H226 HydrophobicContact CG-CB 3.98Å; L203-H226 PolarHBondContact N-CD2 3.06Å; L203-H226 VanDerWaalsContact N-CD2 3.28Å; L203-H226 PolarHBondContact N-NE2 2.9Å; L203-N229 HydrophobicContact CD1-CB 3.69Å
204	S	97.3	Very high	96.6	Very high	67 Å²	67	47.6 Å²	47.6	47%	0.469	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-63.2	-19.7	177.3	73.1	0	0	0	0	112.9	D202 H226	D202-S204 VanDerWaalsContact CG-OG 3.24Å; D202-S204 PolarHBondContact O-N 3.15Å; D202-S204 WeakPolarHBondContact OD1-CB 3.14Å; D202-S204 PolarHBondContact OD1-N 2.82Å; D202-S204 PolarHBondContact OD1-OG 2.81Å; D202-S204 PolarHBondContact OD2-OG 2.71Å; S204-H226 PolarHBondContact N-NE2 2.85Å
205	R	97.2	Very high	96.9	Very high	98 Å²	98	42 Å²	42	37%	0.37	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-85.3	-8.1	178.3	-59.6	-179.5	64.5	-156.7	-2	113.5	C89 L90 S191 D202 L203 G207	C89-R205 CarbonylContact C-O 3.59Å; C89-R205 WeakPolarHBondContact CA-O 3.49Å; L90-R205 HydrophobicContact CD1-CB 3.71Å; L90-R205 HydrophobicContact CG-CB 3.94Å; L90-R205 WeakPolarHBondContact CG-O 3.35Å; L90-R205 PolarHBondContact N-O 2.86Å; S191-R205 PolarHBondContact O-NH1 3.24Å; S191-R205 VanDerWaalsContact O-NH1 3.12Å; D202-R205 HydrophobicContact CB-CG 4.16Å; D202-R205 WeakPolarHBondContact O-CB 3.38Å; D202-R205 PolarHBondContact O-N 2.76Å; L203-R205 PolarHBondContact O-N 3.46Å; L203-R205 VanDerWaalsContact O-N 3.12Å; R205-G207 VanDerWaalsContact C-N 3.33Å; R205-G207 PolarHBondContact O-N 3.17Å
206	L	97.9	Very high	97.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-69.7	-29.2	-175.7	-64.3	172.4	0	0	0	113.1	L90 L91 V105 F162 L187 L203 R208 T213	L90-L206 HydrophobicContact CB-CD2 4.49Å; L90-L206 HydrophobicContact CD1-CD2 4.33Å; L91-L206 VanDerWaalsContact CB-O 3.28Å; L91-L206 WeakPolarHBondContact CB-O 3.45Å; L91-L206 HydrophobicContact CD1-CB 4.07Å; L91-L206 HydrophobicContact CD1-CD2 4.21Å; L91-L206 HydrophobicContact CG-CB 4.42Å; L91-L206 HydrophobicContact CG-CD2 4.25Å; L91-L206 WeakPolarHBondContact CG-O 3.3Å; L91-L206 PolarHBondContact N-O 2.93Å; V105-L206 HydrophobicContact CG2-CD1 3.57Å; V105-L206 HydrophobicContact CG2-CD2 4.36Å; F162-L206 HydrophobicContact CD1-CD2 4.45Å; F162-L206 HydrophobicContact CE1-CD2 4.45Å; L187-L206 HydrophobicContact CD1-CD2 3.65Å; L203-L206 HydrophobicContact CB-CD1 4.1Å; L203-L206 HydrophobicContact CD2-CD1 3.92Å; L203-L206 WeakPolarHBondContact O-CB 3.35Å; L203-L206 WeakPolarHBondContact O-CG 3.49Å; L203-L206 PolarHBondContact O-N 2.91Å; L203-L206 VanDerWaalsContact O-N 3.07Å; L206-R208 HydrophobicContact CB-CG 4.31Å; L206-T213 HydrophobicContact CD1-CG2 3.86Å
207	G	96.9	Very high	97.5	Very high	35 Å²	35	32.9 Å²	32.9	36%	0.361	17%	0.174	S	C	.	.	S	Bend	trans	77.2	37.3	-169.1	0	0	0	0	0	112.7	C89 R205	C89-G207 WeakPolarHBondContact SG-CA 3.33Å; R205-G207 VanDerWaalsContact C-N 3.33Å; R205-G207 PolarHBondContact O-N 3.17Å
208	R	97.7	Very high	97.8	Very high	37 Å²	37	32.7 Å²	32.7	14%	0.14	17%	0.166	C	C	.	.	S	Bend	trans	-127.8	152.7	174	-59.7	-64.6	178.9	-94.7	5.7	109.1	L91 P92 V94 C103 E158 L206 L210 T213	L91-R208 HydrophobicContact CD1-CG 4.1Å; P92-R208 PolarHBondContact O-NH1 3.09Å; P92-R208 PolarHBondContact O-NH2 2.93Å; V94-R208 VanDerWaalsContact CG2-CZ 3.44Å; C103-R208 HydrophobicContact CB-CB 4.3Å; C103-R208 HydrophobicContact CB-CG 3.89Å; E158-R208 IonicContact OE1-CZ 2.87Å; E158-R208 IonicContact OE1-NE 2.68Å; E158-R208 PolarHBondContact OE1-NE 2.94Å; E158-R208 IonicContact OE1-NH2 3.85Å; E158-R208 PolarHBondContact OE1-NH2 3.26Å; E158-R208 WeakPolarHBondContact OE2-CD 3.28Å; E158-R208 IonicContact OE2-CZ 3.82Å; E158-R208 IonicContact OE2-NE 3.73Å; E158-R208 PolarHBondContact OE2-NE 2.84Å; E158-R208 IonicContact OE2-NH2 3.34Å; L206-R208 HydrophobicContact CB-CG 4.31Å; R208-L210 PolarHBondContact O-N 2.95Å; R208-T213 WeakPolarHBondContact CB-OG1 3.43Å
209	D	97.5	Very high	98	Very high	75 Å²	75	32.4 Å²	32.4	40%	0.401	16%	0.164	S	C	.	.			trans	-66.4	125.9	172.3	-172.9	-22	0	0	0	108.6	R211 K212 T213	D209-R211 PolarHBondContact O-N 3.34Å; D209-R211 WeakPolarHBondContact OD1-CB 3.26Å; D209-R211 PolarHBondContact OD1-N 2.87Å; D209-R211 IonicContact OD1-NE 3.28Å; D209-R211 PolarHBondContact OD1-NE 3.18Å; D209-R211 IonicContact OD2-CZ 3.42Å; D209-R211 IonicContact OD2-NE 3.24Å; D209-R211 PolarHBondContact OD2-NE 2.8Å; D209-R211 IonicContact OD2-NH2 2.75Å; D209-R211 PolarHBondContact OD2-NH2 3.46Å; D209-K212 HydrophobicContact CB-CB 4.4Å; D209-K212 CarbonylContact O-C 3.53Å; D209-K212 VanDerWaalsContact O-C 3.24Å; D209-K212 WeakPolarHBondContact O-CA 3.38Å; D209-K212 PolarHBondContact O-N 3.22Å; D209-T213 PolarHBondContact O-N 3.48Å; D209-T213 PolarHBondContact O-OG1 3.3Å
210	L	98.1	Very high	98.1	Very high	43 Å²	43	34.5 Å²	34.5	23%	0.225	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-64	-24.9	-179.8	-66.4	178	0	0	0	112.4	L203 R208 K212 T213 N229 Y262	L203-L210 HydrophobicContact CB-CD2 3.66Å; R208-L210 PolarHBondContact O-N 2.95Å; L210-K212 PolarHBondContact O-N 3.39Å; L210-T213 PolarHBondContact O-N 3.32Å; L210-N229 PolarHBondContact O-ND2 3.25Å; L210-Y262 WeakPolarHBondContact CB-OH 3.39Å
211	R	98	Very high	98	Very high	130 Å²	130	36.1 Å²	36.1	49%	0.491	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-69.1	-12.1	171.5	-63.8	174.3	-64.9	173.2	4.9	113.2	D209 D260 V261 Y262	D209-R211 PolarHBondContact O-N 3.34Å; D209-R211 WeakPolarHBondContact OD1-CB 3.26Å; D209-R211 PolarHBondContact OD1-N 2.87Å; D209-R211 IonicContact OD1-NE 3.28Å; D209-R211 PolarHBondContact OD1-NE 3.18Å; D209-R211 IonicContact OD2-CZ 3.42Å; D209-R211 IonicContact OD2-NE 3.24Å; D209-R211 PolarHBondContact OD2-NE 2.8Å; D209-R211 IonicContact OD2-NH2 2.75Å; D209-R211 PolarHBondContact OD2-NH2 3.46Å; R211-D260 WeakPolarHBondContact O-CA 3.25Å; R211-V261 WeakPolarHBondContact O-CG1 3.22Å; R211-V261 WeakPolarHBondContact O-CG2 3.11Å; R211-V261 PolarHBondContact O-N 3.13Å; R211-Y262 HydrophobicContact CG-CD2 3.98Å; R211-Y262 HydrophobicContact CG-CE2 3.8Å
212	K	98.2	Very high	98	Very high	63 Å²	63	36.6 Å²	36.6	27%	0.274	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-124.4	28.6	177.9	-69.5	-70	-160.2	169.4	0	111.4	I102 C103 D209 L210 A258 E259	I102-K212 WeakPolarHBondContact CA-O 3.45Å; I102-K212 HydrophobicContact CD1-CD 4.4Å; I102-K212 HydrophobicContact CG1-CB 4.37Å; I102-K212 HydrophobicContact CG1-CD 3.64Å; I102-K212 WeakPolarHBondContact CG2-O 3.38Å; C103-K212 PolarHBondContact N-O 2.99Å; D209-K212 HydrophobicContact CB-CB 4.4Å; D209-K212 CarbonylContact O-C 3.53Å; D209-K212 VanDerWaalsContact O-C 3.24Å; D209-K212 WeakPolarHBondContact O-CA 3.38Å; D209-K212 PolarHBondContact O-N 3.22Å; L210-K212 PolarHBondContact O-N 3.39Å; K212-A258 PolarHBondContact NZ-O 2.88Å; K212-E259 WeakPolarHBondContact CE-O 3.38Å
213	T	98.6	Very high	98	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.7	179.3	-56.4	0	0	0	0	110.7	C103 L203 L206 R208 D209 L210 N229	C103-T213 CarbonylContact O-C 3.24Å; C103-T213 VanDerWaalsContact O-CA 3.29Å; C103-T213 WeakPolarHBondContact O-CA 3.28Å; L203-T213 HydrophobicContact CB-CG2 4.46Å; L203-T213 HydrophobicContact CD1-CG2 4.18Å; L206-T213 HydrophobicContact CD1-CG2 3.86Å; R208-T213 WeakPolarHBondContact CB-OG1 3.43Å; D209-T213 PolarHBondContact O-N 3.48Å; D209-T213 PolarHBondContact O-OG1 3.3Å; L210-T213 PolarHBondContact O-N 3.32Å; T213-N229 PolarHBondContact O-ND2 3.22Å
214	L	98.8	Very high	98	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	158.3	173.9	-65.7	170.7	0	0	0	110.4	I102 C103 V104 V105 F157 N229 F252 L255 V261 L265	I102-L214 HydrophobicContact CG2-CD1 3.94Å; I102-L214 HydrophobicContact CG2-CG 3.99Å; C103-L214 PolarHBondContact O-N 3.21Å; V104-L214 HydrophobicContact CG1-CB 4.27Å; V104-L214 HydrophobicContact CG2-CB 4.18Å; V104-L214 HydrophobicContact CG2-CD1 4.25Å; V105-L214 PolarHBondContact N-O 3.29Å; F157-L214 HydrophobicContact CE1-CD1 4.46Å; L214-N229 WeakPolarHBondContact CA-O 3.44Å; L214-F252 HydrophobicContact CD1-CD1 4.41Å; L214-F252 HydrophobicContact CD1-CE1 4.16Å; L214-L255 HydrophobicContact CD1-CB 4.12Å; L214-L255 HydrophobicContact CD1-CD1 3.93Å; L214-V261 HydrophobicContact CD1-CG1 4.39Å; L214-V261 HydrophobicContact CD2-CB 3.76Å; L214-V261 HydrophobicContact CD2-CG1 3.82Å; L214-V261 HydrophobicContact CD2-CG2 4.24Å; L214-V261 HydrophobicContact CG-CB 4.41Å; L214-V261 HydrophobicContact CG-CG1 3.92Å; L214-L265 HydrophobicContact CD2-CD1 3.6Å; L214-L265 HydrophobicContact CD2-CD2 4.47Å; L214-L265 HydrophobicContact CD2-CG 4.2Å
215	I	98.8	Very high	98	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.7	169.2	179.3	160.7	0	0	0	111	V105 K201 L203 D217 Y223 N229 A230 V231	V105-I215 HydrophobicContact CB-CB 4.22Å; V105-I215 HydrophobicContact CB-CD1 4.49Å; V105-I215 HydrophobicContact CB-CG1 4.2Å; V105-I215 HydrophobicContact CG1-CD1 4Å; V105-I215 HydrophobicContact CG1-CG1 4.07Å; V105-I215 CarbonylContact O-C 3.57Å; V105-I215 WeakPolarHBondContact O-CA 3.47Å; K201-I215 HydrophobicContact CB-CD1 3.98Å; K201-I215 HydrophobicContact CD-CD1 3.8Å; L203-I215 HydrophobicContact CD1-CB 4.2Å; L203-I215 HydrophobicContact CD1-CG2 3.96Å; L203-I215 HydrophobicContact CD2-CB 4.25Å; L203-I215 HydrophobicContact CD2-CD1 4.08Å; I215-D217 HydrophobicContact CD1-CB 4.34Å; I215-D217 HydrophobicContact CG1-CB 4.06Å; I215-Y223 HydrophobicContact CD1-CD1 4.48Å; I215-Y223 HydrophobicContact CG2-CD1 4.37Å; I215-Y223 HydrophobicContact CG2-CG 4.26Å; I215-N229 HydrophobicContact CG2-CB 4.48Å; I215-N229 PolarHBondContact N-O 3.36Å; I215-A230 HydrophobicContact CG2-CB 3.84Å; I215-A230 CarbonylContact O-C 3.58Å; I215-A230 WeakPolarHBondContact O-CA 3.33Å; I215-V231 PolarHBondContact O-N 3.43Å
216	L	98.9	Very high	98	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	112.1	170.8	179.5	64.7	0	0	0	108.8	V105 I106 D107 T111 F149 V231 V233 L248 F252	V105-L216 PolarHBondContact O-N 3.07Å; I106-L216 HydrophobicContact CG2-CD2 4.3Å; D107-L216 PolarHBondContact N-O 3.04Å; T111-L216 HydrophobicContact CG2-CD2 4.47Å; T111-L216 HydrophobicContact CG2-CG 4.24Å; F149-L216 HydrophobicContact CE1-CD2 3.82Å; F149-L216 HydrophobicContact CE2-CD2 4.37Å; F149-L216 HydrophobicContact CZ-CD2 3.39Å; L216-V231 HydrophobicContact CD1-CB 4.35Å; L216-V231 HydrophobicContact CD1-CG1 4.24Å; L216-V231 VanDerWaalsContact CD1-O 3.27Å; L216-V231 WeakPolarHBondContact CD1-O 3.5Å; L216-V233 HydrophobicContact CD1-CB 3.67Å; L216-V233 HydrophobicContact CD1-CG1 3.74Å; L216-V233 HydrophobicContact CD1-CG2 4.4Å; L216-V233 HydrophobicContact CG-CG1 4.23Å; L216-L248 HydrophobicContact CD1-CD1 3.91Å; L216-F252 HydrophobicContact CB-CZ 4.18Å; L216-F252 HydrophobicContact CD1-CE2 4.34Å; L216-F252 HydrophobicContact CD1-CZ 4.3Å; L216-F252 HydrophobicContact CD2-CE2 4.12Å; L216-F252 HydrophobicContact CD2-CZ 4.22Å; L216-F252 HydrophobicContact CG-CZ 4.49Å
217	D	98.8	Very high	98	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	138.3	-174.1	-164.9	-58.7	0	0	0	109.9	D107 K201 I215 S219 S222 Y223	D107-D217 HydrophobicContact CB-CB 4.11Å; K201-D217 VanDerWaalsContact CE-OD2 3.24Å; K201-D217 WeakPolarHBondContact CE-OD2 3.46Å; K201-D217 IonicContact NZ-OD2 2.79Å; K201-D217 PolarHBondContact NZ-OD2 2.95Å; I215-D217 HydrophobicContact CD1-CB 4.34Å; I215-D217 HydrophobicContact CG1-CB 4.06Å; D217-S219 VanDerWaalsContact C-N 3.27Å; D217-S219 PolarHBondContact O-N 3.4Å; D217-S219 WeakPolarHBondContact OD1-CA 3.13Å; D217-S219 WeakPolarHBondContact OD1-CB 3.38Å; D217-S219 PolarHBondContact OD1-N 2.94Å; D217-S222 VanDerWaalsContact CG-CB 3.41Å; D217-S222 WeakPolarHBondContact OD1-CB 3.21Å; D217-S222 PolarHBondContact OD1-OG 2.9Å; D217-S222 WeakPolarHBondContact OD2-CB 3.45Å; D217-S222 PolarHBondContact OD2-OG 3.4Å; D217-Y223 HydrophobicContact CB-CD1 3.82Å; D217-Y223 HydrophobicContact CB-CE1 3.93Å
218	N	98.6	Very high	98	Very high	28 Å²	28	44.8 Å²	44.8	15%	0.15	23%	0.231	C	C	.	.	S	Bend	trans	-76.7	-14.4	-179.3	70.2	-53.2	0	0	0	113.6	D107 D109 E110 T111 V233 S235	D107-N218 PolarHBondContact OD2-OD1 3.11Å; D109-N218 PolarHBondContact O-OD1 3.32Å; E110-N218 VanDerWaalsContact CB-ND2 3.3Å; E110-N218 WeakPolarHBondContact CB-ND2 3.43Å; T111-N218 PolarHBondContact OG1-N 3.41Å; T111-N218 PolarHBondContact OG1-OD1 2.86Å; N218-V233 VanDerWaalsContact CA-O 3.28Å; N218-V233 WeakPolarHBondContact CA-O 3.48Å; N218-V233 HydrophobicContact CB-CG1 4.11Å; N218-S235 PolarHBondContact ND2-OG 3.45Å
219	S	97.9	Very high	98.1	Very high	41 Å²	41	43.1 Å²	43.1	29%	0.287	23%	0.225	S	C	.	.			trans	-112.5	110.2	-175	159.8	0	0	0	0	111.3	D217 A221 S222 Y223	D217-S219 VanDerWaalsContact C-N 3.27Å; D217-S219 PolarHBondContact O-N 3.4Å; D217-S219 WeakPolarHBondContact OD1-CA 3.13Å; D217-S219 WeakPolarHBondContact OD1-CB 3.38Å; D217-S219 PolarHBondContact OD1-N 2.94Å; S219-A221 PolarHBondContact O-N 3.48Å; S219-S222 WeakPolarHBondContact CB-OG 3.2Å; S219-S222 WeakPolarHBondContact O-CB 3.39Å; S219-S222 PolarHBondContact O-N 2.63Å; S219-S222 PolarHBondContact O-OG 2.71Å; S219-S222 PolarHBondContact OG-OG 2.74Å; S219-S222 VanDerWaalsContact OG-OG 3.13Å; S219-Y223 WeakPolarHBondContact O-CE1 3.29Å
220	P	97.8	Very high	98.1	Very high	86 Å²	86	39.6 Å²	39.6	56%	0.558	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-24.6	175.4	-26.7	34.1	0	0	0	115.7	S222 Y223 I224	P220-S222 PolarHBondContact O-N 3.19Å; P220-Y223 HydrophobicContact CB-CE2 4.07Å; P220-I224 PolarHBondContact O-N 3.48Å
221	A	97.1	Very high	98.1	Very high	35 Å²	35	38 Å²	38	29%	0.289	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-28.3	174.8	0	0	0	0	0	112.2	C198 S219 Y223 I224	C198-A221 HydrophobicContact CB-CB 4.28Å; S219-A221 PolarHBondContact O-N 3.48Å; A221-Y223 VanDerWaalsContact C-N 3.3Å; A221-Y223 PolarHBondContact O-N 2.92Å; A221-I224 PolarHBondContact O-N 2.53Å
222	S	97.9	Very high	98.1	Very high	12 Å²	12	35.5 Å²	35.5	8%	0.084	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-31.8	-177.6	-52.2	0	0	0	0	112.2	K201 D217 S219 P220	K201-S222 PolarHBondContact N-O 3.04Å; D217-S222 VanDerWaalsContact CG-CB 3.41Å; D217-S222 WeakPolarHBondContact OD1-CB 3.21Å; D217-S222 PolarHBondContact OD1-OG 2.9Å; D217-S222 WeakPolarHBondContact OD2-CB 3.45Å; D217-S222 PolarHBondContact OD2-OG 3.4Å; S219-S222 WeakPolarHBondContact CB-OG 3.2Å; S219-S222 WeakPolarHBondContact O-CB 3.39Å; S219-S222 PolarHBondContact O-N 2.63Å; S219-S222 PolarHBondContact O-OG 2.71Å; S219-S222 PolarHBondContact OG-OG 2.74Å; S219-S222 VanDerWaalsContact OG-OG 3.13Å; P220-S222 PolarHBondContact O-N 3.19Å
223	Y	98	Very high	98.1	Very high	18 Å²	18	33 Å²	33	7%	0.071	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115	26.3	-179.3	51.4	-104.3	0	0	0	113.1	I215 D217 S219 P220 A221 F225 H226 A230	I215-Y223 HydrophobicContact CD1-CD1 4.48Å; I215-Y223 HydrophobicContact CG2-CD1 4.37Å; I215-Y223 HydrophobicContact CG2-CG 4.26Å; D217-Y223 HydrophobicContact CB-CD1 3.82Å; D217-Y223 HydrophobicContact CB-CE1 3.93Å; S219-Y223 WeakPolarHBondContact O-CE1 3.29Å; P220-Y223 HydrophobicContact CB-CE2 4.07Å; A221-Y223 VanDerWaalsContact C-N 3.3Å; A221-Y223 PolarHBondContact O-N 2.92Å; Y223-F225 PolarHBondContact O-N 2.73Å; Y223-H226 CarbonylContact O-C 3.54Å; Y223-H226 VanDerWaalsContact O-C 3.28Å; Y223-H226 PolarHBondContact O-N 2.77Å; Y223-A230 HydrophobicContact CD1-CB 4.04Å; Y223-A230 HydrophobicContact CD2-CB 3.58Å; Y223-A230 HydrophobicContact CE1-CB 4.03Å; Y223-A230 HydrophobicContact CE2-CB 3.55Å; Y223-A230 HydrophobicContact CG-CB 3.8Å
224	I	97.5	Very high	98.1	Very high	87 Å²	87	39.7 Å²	39.7	45%	0.446	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-26.2	-175.8	-166.6	169	0	0	0	114.1	V200 P220 A221	V200-I224 HydrophobicContact CB-CG2 4.45Å; V200-I224 HydrophobicContact CG1-CG2 3.82Å; V200-I224 HydrophobicContact CG2-CG2 3.69Å; P220-I224 PolarHBondContact O-N 3.48Å; A221-I224 PolarHBondContact O-N 2.53Å
225	F	97.9	Very high	98	Very high	70 Å²	70	42.3 Å²	42.3	31%	0.307	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-19.3	175.6	-60	-24.1	0	0	0	114.4	Y80 H195 V200 D202 Y223 P227	Y80-F225 AromaticContact CE1-CE2 3.87Å; Y80-F225 HydrophobicContact CE1-CE2 3.87Å; Y80-F225 AromaticContact CE1-CZ 3.96Å; Y80-F225 HydrophobicContact CE1-CZ 3.96Å; Y80-F225 AromaticContact CZ-CE2 3.91Å; Y80-F225 AromaticContact CZ-CZ 3.84Å; Y80-F225 WeakPolarHBondContact OH-CE2 3.08Å; Y80-F225 VanDerWaalsContact OH-CZ 3.29Å; Y80-F225 WeakPolarHBondContact OH-CZ 3.29Å; H195-F225 HydrophobicContact CB-CZ 4.04Å; H195-F225 AromaticContact CD2-CE1 3.88Å; H195-F225 AromaticContact CD2-CZ 3.95Å; H195-F225 AromaticContact CG-CZ 3.66Å; H195-F225 AromaticContact ND1-CZ 3.77Å; H195-F225 AromaticContact NE2-CE1 3.93Å; V200-F225 HydrophobicContact CB-CE2 4.23Å; V200-F225 HydrophobicContact CG1-CD2 3.55Å; V200-F225 HydrophobicContact CG1-CE2 3.67Å; V200-F225 HydrophobicContact CG1-CG 3.99Å; V200-F225 HydrophobicContact CG1-CZ 4.22Å; D202-F225 HydrophobicContact CB-CD2 4.07Å; D202-F225 HydrophobicContact CB-CE2 4.49Å; Y223-F225 PolarHBondContact O-N 2.73Å; F225-P227 VanDerWaalsContact C-CD 3.47Å
226	H	98.1	Very high	98	Very high	21 Å²	21	42.6 Å²	42.6	10%	0.097	24%	0.24	C	C	.	.			trans	-135.2	51.3	-174.1	-55.9	-77.4	0	0	0	111.7	D202 L203 S204 Y223 E228 N229	D202-H226 IonicContact OD1-CD2 2.92Å; D202-H226 IonicContact OD1-CE1 2.76Å; D202-H226 IonicContact OD1-NE2 2.71Å; D202-H226 PolarHBondContact OD1-NE2 2.99Å; L203-H226 HydrophobicContact CB-CB 4.44Å; L203-H226 HydrophobicContact CD1-CB 3.63Å; L203-H226 HydrophobicContact CG-CB 3.98Å; L203-H226 PolarHBondContact N-CD2 3.06Å; L203-H226 VanDerWaalsContact N-CD2 3.28Å; L203-H226 PolarHBondContact N-NE2 2.9Å; S204-H226 PolarHBondContact N-NE2 2.85Å; Y223-H226 CarbonylContact O-C 3.54Å; Y223-H226 VanDerWaalsContact O-C 3.28Å; Y223-H226 PolarHBondContact O-N 2.77Å; H226-E228 PolarHBondContact O-N 3.25Å; H226-N229 HydrophobicContact CB-CB 4.25Å; H226-N229 PolarHBondContact O-N 3.19Å; H226-N229 VanDerWaalsContact O-N 3.12Å
227	P	97.3	Very high	97.9	Very high	70 Å²	70	46.7 Å²	46.7	46%	0.455	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-62.6	-28.3	-176.7	27.4	-35.8	0	0	0	112.6	F225 N229 A230 R269	F225-P227 VanDerWaalsContact C-CD 3.47Å; P227-N229 PolarHBondContact O-N 3.42Å; P227-A230 PolarHBondContact O-N 3.29Å; P227-R269 PolarHBondContact O-NH2 3.47Å
228	E	97.1	Very high	97.8	Very high	125 Å²	125	52.2 Å²	52.2	58%	0.584	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-69.3	-23.1	179.8	-62.8	-171.3	150.9	0	0	112.7	H226 Y262 L265 R269	H226-E228 PolarHBondContact O-N 3.25Å; E228-Y262 HydrophobicContact CB-CD1 3.78Å; E228-Y262 HydrophobicContact CB-CE1 3.7Å; E228-L265 WeakPolarHBondContact O-CD1 3.48Å; E228-R269 PolarHBondContact O-NH1 3.16Å; E228-R269 VanDerWaalsContact O-NH1 3.13Å
229	N	98.4	Very high	97.7	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.011	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-86.1	-8.6	176.9	-65.6	86.7	0	0	0	113.9	L203 L210 T213 L214 I215 H226 P227 Y262	L203-N229 HydrophobicContact CD1-CB 3.69Å; L210-N229 PolarHBondContact O-ND2 3.25Å; T213-N229 PolarHBondContact O-ND2 3.22Å; L214-N229 WeakPolarHBondContact CA-O 3.44Å; I215-N229 HydrophobicContact CG2-CB 4.48Å; I215-N229 PolarHBondContact N-O 3.36Å; H226-N229 HydrophobicContact CB-CB 4.25Å; H226-N229 PolarHBondContact O-N 3.19Å; H226-N229 VanDerWaalsContact O-N 3.12Å; P227-N229 PolarHBondContact O-N 3.42Å; N229-Y262 PolarHBondContact ND2-OH 2.98Å; N229-Y262 VanDerWaalsContact OD1-CE1 3.31Å; N229-Y262 WeakPolarHBondContact OD1-CE1 3.2Å; N229-Y262 PolarHBondContact OD1-OH 3.49Å
230	A	98.3	Very high	97.6	Very high	1 Å²	1	59 Å²	59	1%	0.008	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	135.7	-169.3	0	0	0	0	0	113.6	I215 Y223 P227 P232 R269	I215-A230 HydrophobicContact CG2-CB 3.84Å; I215-A230 CarbonylContact O-C 3.58Å; I215-A230 WeakPolarHBondContact O-CA 3.33Å; Y223-A230 HydrophobicContact CD1-CB 4.04Å; Y223-A230 HydrophobicContact CD2-CB 3.58Å; Y223-A230 HydrophobicContact CE1-CB 4.03Å; Y223-A230 HydrophobicContact CE2-CB 3.55Å; Y223-A230 HydrophobicContact CG-CB 3.8Å; P227-A230 PolarHBondContact O-N 3.29Å; A230-P232 WeakPolarHBondContact O-CD 3.24Å; A230-R269 PolarHBondContact O-NH2 2.9Å
231	V	98.3	Very high	97.7	Very high	9 Å²	9	58.5 Å²	58.5	6%	0.055	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	101.8	158.2	-179.5	0	0	0	0	105.8	I215 L216 L248 F252 L255 L265	I215-V231 PolarHBondContact O-N 3.43Å; L216-V231 HydrophobicContact CD1-CB 4.35Å; L216-V231 HydrophobicContact CD1-CG1 4.24Å; L216-V231 VanDerWaalsContact CD1-O 3.27Å; L216-V231 WeakPolarHBondContact CD1-O 3.5Å; V231-L248 HydrophobicContact CG1-CD2 3.8Å; V231-F252 HydrophobicContact CB-CZ 3.94Å; V231-F252 HydrophobicContact CG1-CE2 4.12Å; V231-F252 HydrophobicContact CG1-CZ 3.99Å; V231-F252 HydrophobicContact CG2-CE1 4.13Å; V231-F252 HydrophobicContact CG2-CZ 3.96Å; V231-L255 HydrophobicContact CG2-CD1 3.92Å; V231-L265 HydrophobicContact CG2-CD2 3.91Å
232	P	97.5	Very high	97.7	Very high	77 Å²	77	57.8 Å²	57.8	50%	0.5	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	148.1	-179.8	-18.3	32.4	0	0	0	110.9	A230	A230-P232 WeakPolarHBondContact O-CD 3.24Å
233	V	98.2	Very high	97.8	Very high	10 Å²	10	59.8 Å²	59.8	6%	0.061	32%	0.324	C	S	.	.			trans	-137.5	147.7	175.1	63.4	0	0	0	0	109.3	T111 R143 L216 N218 E244 L248	T111-V233 HydrophobicContact CG2-CG1 4.06Å; R143-V233 VanDerWaalsContact NH1-CG2 3.35Å; L216-V233 HydrophobicContact CD1-CB 3.67Å; L216-V233 HydrophobicContact CD1-CG1 3.74Å; L216-V233 HydrophobicContact CD1-CG2 4.4Å; L216-V233 HydrophobicContact CG-CG1 4.23Å; N218-V233 VanDerWaalsContact CA-O 3.28Å; N218-V233 WeakPolarHBondContact CA-O 3.48Å; N218-V233 HydrophobicContact CB-CG1 4.11Å; V233-E244 WeakPolarHBondContact CA-OE1 3.39Å; V233-E244 HydrophobicContact CG2-CG 3.93Å; V233-E244 WeakPolarHBondContact CG2-OE2 3.1Å; V233-L248 HydrophobicContact CB-CD1 4.26Å; V233-L248 HydrophobicContact CG2-CD1 3.88Å
234	Q	98	Very high	97.8	Very high	141 Å²	141	60.6 Å²	60.6	66%	0.659	33%	0.328	S	S	*	.			trans	-70.8	146.6	175.6	-54.7	176.8	11.5	0	0	110.4	R143 W236 E244	R143-Q234 PolarHBondContact NH1-O 2.93Å; R143-Q234 PolarHBondContact NH2-O 2.76Å; Q234-W236 PolarHBondContact O-N 3.49Å; Q234-E244 WeakPolarHBondContact CA-OE2 3.41Å; Q234-E244 WeakPolarHBondContact CB-OE2 3.49Å; Q234-E244 WeakPolarHBondContact CG-OE1 3.34Å; Q234-E244 PolarHBondContact N-OE1 2.89Å; Q234-E244 PolarHBondContact N-OE2 3.37Å
235	S	98.5	Very high	97.8	Very high	56 Å²	56	56.4 Å²	56.4	39%	0.392	31%	0.307	S	S	.	.			trans	-67.3	128.5	171.9	-59.3	0	0	0	0	109.5	E110 N218	E110-S235 WeakPolarHBondContact O-CA 3.05Å; N218-S235 PolarHBondContact ND2-OG 3.45Å
236	W	98.6	Very high	97.9	Very high	5 Å²	5	55.6 Å²	55.6	2%	0.019	31%	0.306	C	S	.	.			trans	-112.2	145.6	179.7	-179.3	86.2	0	0	0	111.9	E110 H114 L141 K142 R143 Q234 D239 M240	E110-W236 WeakPolarHBondContact CA-O 3.48Å; E110-W236 PolarHBondContact O-N 2.62Å; H114-W236 HydrophobicContact CB-CE3 3.85Å; H114-W236 HydrophobicContact CB-CZ3 3.67Å; L141-W236 HydrophobicContact CB-CH2 3.65Å; L141-W236 HydrophobicContact CB-CZ3 3.99Å; K142-W236 WeakPolarHBondContact O-CH2 3.5Å; R143-W236 HydrophobicContact CB-CD2 3.78Å; R143-W236 HydrophobicContact CB-CE3 3.75Å; R143-W236 HydrophobicContact CB-CG 4.25Å; R143-W236 HydrophobicContact CB-CH2 4.46Å; R143-W236 HydrophobicContact CB-CZ3 4.09Å; R143-W236 HydrophobicContact CG-CB 4.16Å; R143-W236 HydrophobicContact CG-CD2 3.66Å; R143-W236 HydrophobicContact CG-CE3 4.15Å; R143-W236 HydrophobicContact CG-CG 3.63Å; R143-W236 VanDerWaalsContact CZ-CB 3.49Å; Q234-W236 PolarHBondContact O-N 3.49Å; W236-D239 PolarHBondContact NE1-O 2.98Å; W236-M240 HydrophobicContact CZ2-SD 4.35Å
237	F	96.9	Very high	97.9	Very high	86 Å²	86	59.1 Å²	59.1	38%	0.377	33%	0.325	S	S	.	.	S	Bend	trans	-130.6	-64.3	-176.5	-59.8	-84.4	0	0	0	112	E110 H114	E110-F237 HydrophobicContact CG-CD1 4.06Å; E110-F237 HydrophobicContact CG-CE1 3.54Å; E110-F237 HydrophobicContact CG-CZ 3.96Å; H114-F237 WeakPolarHBondContact CB-O 3.44Å; H114-F237 PolarHBondContact CD2-O 3.37Å; H114-F237 VanDerWaalsContact CD2-O 3.24Å; H114-F237 AromaticContact CE1-CD1 3.65Å; H114-F237 AromaticContact ND1-CD1 3.68Å
238	D	96	Very high	97.9	Very high	116 Å²	116	56.4 Å²	56.4	62%	0.62	31%	0.307	S	S	*	.	S	Bend	trans	-151.4	7.8	-174.6	59.1	2	0	0	0	114.1	L141 M240	L141-D238 HydrophobicContact CD1-CB 4.04Å; D238-M240 PolarHBondContact O-N 3.41Å; D238-M240 VanDerWaalsContact O-N 3.14Å
239	D	97.3	Very high	98	Very high	91 Å²	91	51.3 Å²	51.3	49%	0.487	28%	0.283	S	S	.	.			trans	-75.2	104.5	179.2	-175	8.5	0	0	0	111	W236 A241 D242	W236-D239 PolarHBondContact NE1-O 2.98Å; D239-A241 PolarHBondContact O-N 2.92Å; D239-A241 WeakPolarHBondContact OD1-CB 3.31Å; D239-A241 PolarHBondContact OD1-N 3.42Å; D239-D242 VanDerWaalsContact O-CB 3.23Å; D239-D242 WeakPolarHBondContact O-CB 3.47Å; D239-D242 PolarHBondContact O-N 3.16Å
240	M	96	Very high	98	Very high	120 Å²	120	54.8 Å²	54.8	59%	0.591	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-7.9	178.3	-60.4	-54.9	-60.1	0	0	113.6	P144 W236 D238	P144-M240 HydrophobicContact CG-CE 4.3Å; W236-M240 HydrophobicContact CZ2-SD 4.35Å; D238-M240 PolarHBondContact O-N 3.41Å; D238-M240 VanDerWaalsContact O-N 3.14Å
241	A	98	Very high	97.9	Very high	76 Å²	76	57.7 Å²	57.7	63%	0.628	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-2.1	171.2	0	0	0	0	0	112.9	D239 T243	D239-A241 PolarHBondContact O-N 2.92Å; D239-A241 WeakPolarHBondContact OD1-CB 3.31Å; D239-A241 PolarHBondContact OD1-N 3.42Å; A241-T243 PolarHBondContact O-N 3.25Å
242	D	98.6	Very high	97.9	Very high	20 Å²	20	57.3 Å²	57.3	11%	0.107	32%	0.318	C	S	.	.			trans	-55.7	136.6	173.4	-176.2	-80.2	0	0	0	110.8	R143 P144 Y145 D239 E244	R143-D242 IonicContact CZ-OD1 3.8Å; R143-D242 IonicContact CZ-OD2 3.29Å; R143-D242 IonicContact NE-OD1 3.52Å; R143-D242 PolarHBondContact NE-OD1 3.07Å; R143-D242 IonicContact NE-OD2 2.81Å; R143-D242 PolarHBondContact NE-OD2 2.93Å; R143-D242 IonicContact NH2-OD1 2.82Å; R143-D242 PolarHBondContact NH2-OD1 2.64Å; R143-D242 IonicContact NH2-OD2 3.09Å; R143-D242 PolarHBondContact NH2-OD2 3.21Å; P144-D242 VanDerWaalsContact CB-O 3.25Å; P144-D242 WeakPolarHBondContact CB-O 3.49Å; P144-D242 HydrophobicContact CG-CB 4.15Å; Y145-D242 WeakPolarHBondContact CE2-O 3.43Å; D239-D242 VanDerWaalsContact O-CB 3.23Å; D239-D242 WeakPolarHBondContact O-CB 3.47Å; D239-D242 PolarHBondContact O-N 3.16Å; D242-E244 PolarHBondContact OD1-N 3.38Å
243	T	98.6	Very high	98	Very high	54 Å²	54	57.3 Å²	57.3	33%	0.331	31%	0.312	S	S	.	.			trans	-129.9	12.6	177.2	51.6	0	0	0	0	111.3	Y145 A241 L245 L246 N247	Y145-T243 HydrophobicContact CE2-CG2 3.72Å; A241-T243 PolarHBondContact O-N 3.25Å; T243-L245 PolarHBondContact O-N 3.48Å; T243-L246 WeakPolarHBondContact O-CB 3.43Å; T243-L246 PolarHBondContact O-N 3.38Å; T243-L246 VanDerWaalsContact O-N 3.13Å; T243-N247 PolarHBondContact O-N 2.83Å; T243-N247 PolarHBondContact O-ND2 3.49Å; T243-N247 VanDerWaalsContact O-ND2 3.14Å; T243-N247 PolarHBondContact OG1-ND2 2.86Å
244	E	98.6	Very high	97.9	Very high	35 Å²	35	61.9 Å²	61.9	16%	0.164	33%	0.332	C	S	.	.	H	α-helix	trans	-66.1	-43.2	-166.4	-166.1	172.4	-167	0	0	111.8	R143 V233 Q234 D242 L246 N247 L248	R143-E244 IonicContact CZ-OE2 2.82Å; R143-E244 IonicContact NH1-OE2 3.81Å; R143-E244 VanDerWaalsContact NH2-CB 3.32Å; R143-E244 IonicContact NH2-OE2 3.85Å; R143-E244 PolarHBondContact NH2-OE2 3.45Å; V233-E244 WeakPolarHBondContact CA-OE1 3.39Å; V233-E244 HydrophobicContact CG2-CG 3.93Å; V233-E244 WeakPolarHBondContact CG2-OE2 3.1Å; Q234-E244 WeakPolarHBondContact CA-OE2 3.41Å; Q234-E244 WeakPolarHBondContact CB-OE2 3.49Å; Q234-E244 WeakPolarHBondContact CG-OE1 3.34Å; Q234-E244 PolarHBondContact N-OE1 2.89Å; Q234-E244 PolarHBondContact N-OE2 3.37Å; D242-E244 PolarHBondContact OD1-N 3.38Å; E244-L246 VanDerWaalsContact C-N 3.29Å; E244-L246 PolarHBondContact O-N 2.97Å; E244-N247 PolarHBondContact O-N 3.3Å; E244-N247 VanDerWaalsContact O-N 3.16Å; E244-L248 HydrophobicContact CG-CD1 4.32Å; E244-L248 WeakPolarHBondContact O-CB 3.4Å; E244-L248 VanDerWaalsContact O-CG 3.32Å; E244-L248 WeakPolarHBondContact O-CG 3.34Å; E244-L248 PolarHBondContact O-N 3Å
245	L	98.8	Very high	97.9	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.1	-38.4	175.6	-64.1	-173.5	0	0	0	112.1	L112 R143 V146 F149 T243 L248 I249	L112-L245 HydrophobicContact CD2-CD1 4.27Å; R143-L245 HydrophobicContact CB-CD1 4.01Å; R143-L245 HydrophobicContact CG-CD1 3.91Å; R143-L245 HydrophobicContact CG-CG 4.19Å; V146-L245 HydrophobicContact CB-CD1 3.85Å; V146-L245 HydrophobicContact CG2-CD1 4.08Å; F149-L245 HydrophobicContact CB-CB 3.98Å; F149-L245 HydrophobicContact CB-CD1 4.44Å; F149-L245 HydrophobicContact CD1-CD1 4.45Å; F149-L245 HydrophobicContact CD1-CD2 4.27Å; F149-L245 HydrophobicContact CD2-CB 4.17Å; F149-L245 HydrophobicContact CD2-CD2 4.48Å; F149-L245 VanDerWaalsContact CD2-O 3.31Å; F149-L245 WeakPolarHBondContact CD2-O 3.32Å; F149-L245 HydrophobicContact CE1-CD2 4.39Å; F149-L245 HydrophobicContact CG-CB 4.02Å; F149-L245 HydrophobicContact CG-CD1 4.48Å; F149-L245 HydrophobicContact CG-CD2 4.33Å; T243-L245 PolarHBondContact O-N 3.48Å; L245-L248 PolarHBondContact O-N 3.11Å; L245-I249 PolarHBondContact O-N 2.8Å
246	L	98.6	Very high	97.8	Very high	52 Å²	52	54.5 Å²	54.5	27%	0.272	30%	0.297	S	S	.	.	H	α-helix	trans	-63.9	-44.8	174.9	-178.2	66.8	0	0	0	111.2	Y145 T243 E244 L248 I249	Y145-L246 HydrophobicContact CD1-CB 4.09Å; Y145-L246 HydrophobicContact CD1-CD1 4.14Å; Y145-L246 HydrophobicContact CD1-CD2 3.99Å; Y145-L246 HydrophobicContact CD1-CG 4.3Å; Y145-L246 HydrophobicContact CD2-CB 3.86Å; Y145-L246 HydrophobicContact CD2-CD2 4.49Å; Y145-L246 HydrophobicContact CE1-CD2 3.77Å; Y145-L246 HydrophobicContact CE2-CB 4.4Å; Y145-L246 HydrophobicContact CE2-CD2 4.31Å; Y145-L246 HydrophobicContact CG-CB 3.68Å; Y145-L246 HydrophobicContact CG-CD2 4.35Å; Y145-L246 HydrophobicContact CG-CG 4.4Å; T243-L246 WeakPolarHBondContact O-CB 3.43Å; T243-L246 PolarHBondContact O-N 3.38Å; T243-L246 VanDerWaalsContact O-N 3.13Å; E244-L246 VanDerWaalsContact C-N 3.29Å; E244-L246 PolarHBondContact O-N 2.97Å; L246-L248 VanDerWaalsContact C-N 3.26Å; L246-L248 PolarHBondContact O-N 3.35Å; L246-I249 HydrophobicContact CD1-CD1 4.32Å; L246-I249 WeakPolarHBondContact O-CB 3.34Å; L246-I249 PolarHBondContact O-N 3.05Å
247	N	98.2	Very high	97.7	Very high	96 Å²	96	57.4 Å²	57.4	51%	0.513	33%	0.328	S	S	.	.	H	α-helix	trans	-70	-23	-179	-62.7	-29	0	0	0	112.9	T243 E244 P250	T243-N247 PolarHBondContact O-N 2.83Å; T243-N247 PolarHBondContact O-ND2 3.49Å; T243-N247 VanDerWaalsContact O-ND2 3.14Å; T243-N247 PolarHBondContact OG1-ND2 2.86Å; E244-N247 PolarHBondContact O-N 3.3Å; E244-N247 VanDerWaalsContact O-N 3.16Å; N247-P250 WeakPolarHBondContact O-CD 3.36Å
248	L	98.4	Very high	97.6	Very high	12 Å²	12	53.5 Å²	53.5	6%	0.063	31%	0.312	C	S	.	.	H	α-helix	trans	-77.6	-21.2	175.2	-76.3	173.5	0	0	0	113.1	F149 L216 V231 V233 E244 L245 L246 I251 F252	F149-L248 HydrophobicContact CE2-CB 4.24Å; L216-L248 HydrophobicContact CD1-CD1 3.91Å; V231-L248 HydrophobicContact CG1-CD2 3.8Å; V233-L248 HydrophobicContact CB-CD1 4.26Å; V233-L248 HydrophobicContact CG2-CD1 3.88Å; E244-L248 HydrophobicContact CG-CD1 4.32Å; E244-L248 WeakPolarHBondContact O-CB 3.4Å; E244-L248 VanDerWaalsContact O-CG 3.32Å; E244-L248 WeakPolarHBondContact O-CG 3.34Å; E244-L248 PolarHBondContact O-N 3Å; L245-L248 PolarHBondContact O-N 3.11Å; L246-L248 VanDerWaalsContact C-N 3.26Å; L246-L248 PolarHBondContact O-N 3.35Å; L248-I251 HydrophobicContact CD2-CD1 4.08Å; L248-I251 WeakPolarHBondContact O-CB 3.42Å; L248-I251 PolarHBondContact O-N 3.2Å; L248-I251 VanDerWaalsContact O-N 3.16Å; L248-F252 HydrophobicContact CB-CD2 4.09Å; L248-F252 HydrophobicContact CB-CE2 4.18Å; L248-F252 WeakPolarHBondContact O-CD2 3.32Å; L248-F252 PolarHBondContact O-N 3.08Å
249	I	98.7	Very high	97.6	Very high	18 Å²	18	56.3 Å²	56.3	9%	0.092	32%	0.321	C	S	.	.	H	α-helix	trans	-55.5	-52.1	-178.3	-70.4	172.4	0	0	0	112	E148 F149 R152 L245 L246 I251 F252 E253	E148-I249 HydrophobicContact CG-CD1 4Å; F149-I249 HydrophobicContact CD2-CG1 3.95Å; R152-I249 HydrophobicContact CB-CG2 4.44Å; R152-I249 HydrophobicContact CG-CG2 3.74Å; L245-I249 PolarHBondContact O-N 2.8Å; L246-I249 HydrophobicContact CD1-CD1 4.32Å; L246-I249 WeakPolarHBondContact O-CB 3.34Å; L246-I249 PolarHBondContact O-N 3.05Å; I249-I251 PolarHBondContact O-N 3.1Å; I249-F252 PolarHBondContact O-N 2.69Å; I249-F252 VanDerWaalsContact O-N 3.15Å; I249-E253 HydrophobicContact CG2-CG 4.26Å; I249-E253 WeakPolarHBondContact O-CG 3.47Å; I249-E253 PolarHBondContact O-N 2.87Å
250	P	97.7	Very high	97.6	Very high	76 Å²	76	54.1 Å²	54.1	49%	0.494	31%	0.309	S	S	.	.	H	α-helix	trans	-60.3	-33.7	179.5	-24.5	35	0	0	0	113.5	N247 E253 E254	N247-P250 WeakPolarHBondContact O-CD 3.36Å; P250-E253 PolarHBondContact O-N 3.15Å; P250-E254 PolarHBondContact O-N 2.89Å
251	I	97	Very high	97.6	Very high	61 Å²	61	48.4 Å²	48.4	31%	0.313	28%	0.281	S	S	.	.	H	α-helix	trans	-66.4	-45.8	177.3	-66.5	166	0	0	0	110.1	L248 I249 E253 E254 L255 L268	L248-I251 HydrophobicContact CD2-CD1 4.08Å; L248-I251 WeakPolarHBondContact O-CB 3.42Å; L248-I251 PolarHBondContact O-N 3.2Å; L248-I251 VanDerWaalsContact O-N 3.16Å; I249-I251 PolarHBondContact O-N 3.1Å; I251-E253 VanDerWaalsContact C-N 3.35Å; I251-E254 PolarHBondContact O-N 3.37Å; I251-L255 HydrophobicContact CG2-CD1 3.94Å; I251-L255 WeakPolarHBondContact O-CB 3.45Å; I251-L255 VanDerWaalsContact O-CG 3.32Å; I251-L255 WeakPolarHBondContact O-CG 3.27Å; I251-L255 PolarHBondContact O-N 2.94Å; I251-L268 HydrophobicContact CG2-CD1 3.99Å
252	F	98.4	Very high	97.5	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-67.9	-33.8	176	-83.4	-68.9	0	0	0	112.3	V104 F149 M153 F157 L214 L216 V231 L248 I249 E254 L255 S256	V104-F252 HydrophobicContact CG1-CE1 4.02Å; F149-F252 AromaticContact CE2-CD2 3.88Å; F149-F252 HydrophobicContact CE2-CD2 3.88Å; F149-F252 HydrophobicContact CE2-CE2 4.02Å; F149-F252 HydrophobicContact CZ-CD2 4.25Å; F149-F252 HydrophobicContact CZ-CE2 4.04Å; M153-F252 HydrophobicContact CE-CB 4.42Å; M153-F252 HydrophobicContact CE-CD1 3.51Å; M153-F252 HydrophobicContact CE-CD2 4.22Å; M153-F252 HydrophobicContact CE-CE1 3.69Å; M153-F252 HydrophobicContact CE-CE2 4.38Å; M153-F252 HydrophobicContact CE-CG 3.8Å; M153-F252 HydrophobicContact CE-CZ 4.14Å; M153-F252 HydrophobicContact SD-CB 3.65Å; M153-F252 HydrophobicContact SD-CD1 3.88Å; M153-F252 HydrophobicContact SD-CD2 3.81Å; M153-F252 HydrophobicContact SD-CE1 4.48Å; M153-F252 HydrophobicContact SD-CE2 4.43Å; M153-F252 HydrophobicContact SD-CG 3.5Å; M153-F252 WeakPolarHBondContact SD-CG 3.34Å; F157-F252 HydrophobicContact CE2-CB 3.89Å; F157-F252 AromaticContact CE2-CD1 3.98Å; F157-F252 HydrophobicContact CE2-CD1 3.98Å; F157-F252 HydrophobicContact CE2-CG 4.35Å; F157-F252 HydrophobicContact CZ-CB 4.25Å; F157-F252 AromaticContact CZ-CD1 3.97Å; F157-F252 HydrophobicContact CZ-CD1 3.97Å; F157-F252 WeakPolarHBondContact CZ-O 3.33Å; L214-F252 HydrophobicContact CD1-CD1 4.41Å; L214-F252 HydrophobicContact CD1-CE1 4.16Å; L216-F252 HydrophobicContact CB-CZ 4.18Å; L216-F252 HydrophobicContact CD1-CE2 4.34Å; L216-F252 HydrophobicContact CD1-CZ 4.3Å; L216-F252 HydrophobicContact CD2-CE2 4.12Å; L216-F252 HydrophobicContact CD2-CZ 4.22Å; L216-F252 HydrophobicContact CG-CZ 4.49Å; V231-F252 HydrophobicContact CB-CZ 3.94Å; V231-F252 HydrophobicContact CG1-CE2 4.12Å; V231-F252 HydrophobicContact CG1-CZ 3.99Å; V231-F252 HydrophobicContact CG2-CE1 4.13Å; V231-F252 HydrophobicContact CG2-CZ 3.96Å; L248-F252 HydrophobicContact CB-CD2 4.09Å; L248-F252 HydrophobicContact CB-CE2 4.18Å; L248-F252 WeakPolarHBondContact O-CD2 3.32Å; L248-F252 PolarHBondContact O-N 3.08Å; I249-F252 PolarHBondContact O-N 2.69Å; I249-F252 VanDerWaalsContact O-N 3.15Å; F252-E254 PolarHBondContact O-N 2.85Å; F252-L255 HydrophobicContact CD1-CD1 4.41Å; F252-L255 PolarHBondContact O-N 2.93Å; F252-S256 WeakPolarHBondContact O-CB 3.37Å; F252-S256 PolarHBondContact O-N 2.83Å
253	E	98	Very high	97.4	Very high	78 Å²	78	50.9 Å²	50.9	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-45.6	171.3	-72.6	-177.6	152.1	0	0	112.1	R152 L156 I249 P250 I251 S256	R152-E253 IonicContact CZ-OE1 3.6Å; R152-E253 IonicContact NE-OE1 2.97Å; R152-E253 PolarHBondContact NE-OE1 3.15Å; R152-E253 IonicContact NH2-OE1 3.81Å; R152-E253 PolarHBondContact NH2-OE1 3.24Å; L156-E253 HydrophobicContact CD1-CG 3.88Å; I249-E253 HydrophobicContact CG2-CG 4.26Å; I249-E253 WeakPolarHBondContact O-CG 3.47Å; I249-E253 PolarHBondContact O-N 2.87Å; P250-E253 PolarHBondContact O-N 3.15Å; I251-E253 VanDerWaalsContact C-N 3.35Å; E253-S256 PolarHBondContact O-N 2.97Å; E253-S256 PolarHBondContact O-OG 3.18Å
254	E	96.3	Very high	97.2	Very high	105 Å²	105	49.2 Å²	49.2	49%	0.491	27%	0.272	S	S	.	.	H	α-helix	trans	-62.5	-47.5	175	-174.6	178.1	156.3	0	0	111.7	P250 I251 F252 S256 G257	P250-E254 PolarHBondContact O-N 2.89Å; I251-E254 PolarHBondContact O-N 3.37Å; F252-E254 PolarHBondContact O-N 2.85Å; E254-S256 PolarHBondContact O-N 3.46Å; E254-G257 PolarHBondContact O-N 2.99Å
255	L	97.7	Very high	96.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62.9	-28.2	179.7	-72.9	171.1	0	0	0	113.1	I102 L214 V231 I251 F252 G257 A258 L265 L268	I102-L255 WeakPolarHBondContact CD1-O 3.33Å; L214-L255 HydrophobicContact CD1-CB 4.12Å; L214-L255 HydrophobicContact CD1-CD1 3.93Å; V231-L255 HydrophobicContact CG2-CD1 3.92Å; I251-L255 HydrophobicContact CG2-CD1 3.94Å; I251-L255 WeakPolarHBondContact O-CB 3.45Å; I251-L255 VanDerWaalsContact O-CG 3.32Å; I251-L255 WeakPolarHBondContact O-CG 3.27Å; I251-L255 PolarHBondContact O-N 2.94Å; F252-L255 HydrophobicContact CD1-CD1 4.41Å; F252-L255 PolarHBondContact O-N 2.93Å; L255-G257 PolarHBondContact O-N 3.13Å; L255-G257 VanDerWaalsContact O-N 3.16Å; L255-A258 WeakPolarHBondContact O-CB 3.26Å; L255-A258 PolarHBondContact O-N 2.92Å; L255-L265 HydrophobicContact CD1-CD2 3.9Å; L255-L265 HydrophobicContact CD2-CD2 3.95Å; L255-L265 HydrophobicContact CD2-CG 4.08Å; L255-L268 HydrophobicContact CD1-CD1 4.33Å; L255-L268 HydrophobicContact CD2-CD1 3.82Å; L255-L268 HydrophobicContact CG-CD1 3.93Å
256	S	97.5	Very high	96.6	Very high	43 Å²	43	49.8 Å²	49.8	30%	0.301	29%	0.286	S	S	.	.	H	α-helix	trans	-59.6	-27.3	-180	75.3	0	0	0	0	113.2	F252 E253 E254	F252-S256 WeakPolarHBondContact O-CB 3.37Å; F252-S256 PolarHBondContact O-N 2.83Å; E253-S256 PolarHBondContact O-N 2.97Å; E253-S256 PolarHBondContact O-OG 3.18Å; E254-S256 PolarHBondContact O-N 3.46Å
257	G	95.4	Very high	96.1	Very high	65 Å²	65	53.2 Å²	53.2	67%	0.67	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-2.7	176.4	0	0	0	0	0	114.7	E254 L255 E259	E254-G257 PolarHBondContact O-N 2.99Å; L255-G257 PolarHBondContact O-N 3.13Å; L255-G257 VanDerWaalsContact O-N 3.16Å; G257-E259 PolarHBondContact O-N 3.17Å
258	A	96	Very high	95.5	Very high	5 Å²	5	51.8 Å²	51.8	4%	0.041	29%	0.293	C	S	.	.			trans	-67.8	126.4	-174.7	0	0	0	0	0	111.5	I102 K212 L255 D260 S264	I102-A258 HydrophobicContact CD1-CB 4.13Å; K212-A258 PolarHBondContact NZ-O 2.88Å; L255-A258 WeakPolarHBondContact O-CB 3.26Å; L255-A258 PolarHBondContact O-N 2.92Å; A258-D260 VanDerWaalsContact C-N 3.34Å; A258-S264 WeakPolarHBondContact CB-OG 3.46Å
259	E	95.2	Very high	95	Very high	174 Å²	174	56.8 Å²	56.8	81%	0.813	31%	0.311	S	S	*	.	S	Bend	trans	-70.6	-34.6	167.4	-69.6	-171	171.8	0	0	111.7	K212 G257	K212-E259 WeakPolarHBondContact CE-O 3.38Å; G257-E259 PolarHBondContact O-N 3.17Å
260	D	96.8	Very high	94	Very high	45 Å²	45	58.8 Å²	58.8	24%	0.241	33%	0.33	C	S	.	.	S	Bend	trans	-138.6	114	176	-173.3	-20.3	0	0	0	109.5	R211 A258 Y262 T263 S264	R211-D260 WeakPolarHBondContact O-CA 3.25Å; A258-D260 VanDerWaalsContact C-N 3.34Å; D260-Y262 PolarHBondContact O-N 3.24Å; D260-Y262 WeakPolarHBondContact OD1-CB 3.44Å; D260-Y262 VanDerWaalsContact OD1-CD2 3.22Å; D260-Y262 WeakPolarHBondContact OD1-CD2 3.34Å; D260-Y262 PolarHBondContact OD1-N 3.38Å; D260-T263 PolarHBondContact O-N 3.14Å; D260-T263 VanDerWaalsContact O-N 3.16Å; D260-S264 PolarHBondContact O-N 2.91Å
261	V	97.3	Very high	92.3	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-60.9	-26.8	-178.5	-61.4	0	0	0	0	112.8	I102 R211 L214 T263 S264 L265	I102-V261 HydrophobicContact CD1-CG1 3.92Å; I102-V261 HydrophobicContact CG1-CG1 4.36Å; I102-V261 HydrophobicContact CG2-CG1 4.31Å; R211-V261 WeakPolarHBondContact O-CG1 3.22Å; R211-V261 WeakPolarHBondContact O-CG2 3.11Å; R211-V261 PolarHBondContact O-N 3.13Å; L214-V261 HydrophobicContact CD1-CG1 4.39Å; L214-V261 HydrophobicContact CD2-CB 3.76Å; L214-V261 HydrophobicContact CD2-CG1 3.82Å; L214-V261 HydrophobicContact CD2-CG2 4.24Å; L214-V261 HydrophobicContact CG-CB 4.41Å; L214-V261 HydrophobicContact CG-CG1 3.92Å; V261-T263 VanDerWaalsContact C-N 3.31Å; V261-T263 PolarHBondContact O-N 3.07Å; V261-S264 PolarHBondContact O-N 3.37Å; V261-L265 WeakPolarHBondContact O-CB 3.23Å; V261-L265 VanDerWaalsContact O-CG 3.3Å; V261-L265 WeakPolarHBondContact O-CG 3.14Å; V261-L265 PolarHBondContact O-N 2.86Å
262	Y	96.5	Very high	92.1	Very high	70 Å²	70	65 Å²	65	28%	0.275	37%	0.372	S	S	.	.	H	α-helix	trans	-66.3	-37.5	178.7	-61	-50.5	0	0	0	111.7	L210 R211 E228 N229 D260 G266	L210-Y262 WeakPolarHBondContact CB-OH 3.39Å; R211-Y262 HydrophobicContact CG-CD2 3.98Å; R211-Y262 HydrophobicContact CG-CE2 3.8Å; E228-Y262 HydrophobicContact CB-CD1 3.78Å; E228-Y262 HydrophobicContact CB-CE1 3.7Å; N229-Y262 PolarHBondContact ND2-OH 2.98Å; N229-Y262 VanDerWaalsContact OD1-CE1 3.31Å; N229-Y262 WeakPolarHBondContact OD1-CE1 3.2Å; N229-Y262 PolarHBondContact OD1-OH 3.49Å; D260-Y262 PolarHBondContact O-N 3.24Å; D260-Y262 WeakPolarHBondContact OD1-CB 3.44Å; D260-Y262 VanDerWaalsContact OD1-CD2 3.22Å; D260-Y262 WeakPolarHBondContact OD1-CD2 3.34Å; D260-Y262 PolarHBondContact OD1-N 3.38Å; Y262-G266 PolarHBondContact O-N 2.83Å
263	T	95.4	Very high	91.7	Very high	79 Å²	79	68.3 Å²	68.3	49%	0.485	39%	0.391	S	S	.	.	H	α-helix	trans	-69.3	-49.2	177.3	-60.3	0	0	0	0	110.3	D260 V261 G266 Q267	D260-T263 PolarHBondContact O-N 3.14Å; D260-T263 VanDerWaalsContact O-N 3.16Å; V261-T263 VanDerWaalsContact C-N 3.31Å; V261-T263 PolarHBondContact O-N 3.07Å; T263-G266 PolarHBondContact O-N 3.35Å; T263-Q267 WeakPolarHBondContact O-CG 3.46Å; T263-Q267 PolarHBondContact O-N 2.78Å
264	S	94	Very high	91.4	Very high	18 Å²	18	67.8 Å²	67.8	13%	0.126	39%	0.393	C	S	.	.	H	α-helix	trans	-67	-43.3	-178.3	-60.8	0	0	0	0	112.6	A258 D260 V261 G266 Q267 L268	A258-S264 WeakPolarHBondContact CB-OG 3.46Å; D260-S264 PolarHBondContact O-N 2.91Å; V261-S264 PolarHBondContact O-N 3.37Å; S264-G266 VanDerWaalsContact C-N 3.31Å; S264-G266 PolarHBondContact O-N 2.63Å; S264-Q267 PolarHBondContact O-N 3.14Å; S264-L268 WeakPolarHBondContact O-CG 3.33Å; S264-L268 PolarHBondContact O-N 3.34Å
265	L	93.7	Very high	91.1	Very high	6 Å²	6	65.6 Å²	65.6	3%	0.031	39%	0.387	C	S	.	.	H	α-helix	trans	-65.2	-36.2	173.4	-72.1	175.6	0	0	0	111.8	L214 E228 V231 L255 V261 Q267 L268 R269	L214-L265 HydrophobicContact CD2-CD1 3.6Å; L214-L265 HydrophobicContact CD2-CD2 4.47Å; L214-L265 HydrophobicContact CD2-CG 4.2Å; E228-L265 WeakPolarHBondContact O-CD1 3.48Å; V231-L265 HydrophobicContact CG2-CD2 3.91Å; L255-L265 HydrophobicContact CD1-CD2 3.9Å; L255-L265 HydrophobicContact CD2-CD2 3.95Å; L255-L265 HydrophobicContact CD2-CG 4.08Å; V261-L265 WeakPolarHBondContact O-CB 3.23Å; V261-L265 VanDerWaalsContact O-CG 3.3Å; V261-L265 WeakPolarHBondContact O-CG 3.14Å; V261-L265 PolarHBondContact O-N 2.86Å; L265-Q267 VanDerWaalsContact C-N 3.3Å; L265-Q267 PolarHBondContact O-N 2.66Å; L265-L268 PolarHBondContact O-N 3.23Å; L265-R269 VanDerWaalsContact O-CB 3.24Å; L265-R269 WeakPolarHBondContact O-CB 3.36Å; L265-R269 WeakPolarHBondContact O-CD 3.25Å; L265-R269 WeakPolarHBondContact O-CG 3.42Å; L265-R269 PolarHBondContact O-N 2.92Å
266	G	91.2	Very high	90.7	Very high	41 Å²	41	69.7 Å²	69.7	42%	0.423	41%	0.411	S	S	.	.	H	α-helix	trans	-59.8	-40.1	174.2	0	0	0	0	0	112.6	Y262 T263 S264 A270	Y262-G266 PolarHBondContact O-N 2.83Å; T263-G266 PolarHBondContact O-N 3.35Å; S264-G266 VanDerWaalsContact C-N 3.31Å; S264-G266 PolarHBondContact O-N 2.63Å; G266-A270 PolarHBondContact O-N 3.35Å
267	Q	88.2	Confident	90.2	Very high	125 Å²	125	71.5 Å²	71.5	58%	0.584	42%	0.419	S	S	*	.	H	α-helix	trans	-69.5	-44.2	176	-70	170.4	1.6	0	0	112.1	T263 S264 L265 R269 A270	T263-Q267 WeakPolarHBondContact O-CG 3.46Å; T263-Q267 PolarHBondContact O-N 2.78Å; S264-Q267 PolarHBondContact O-N 3.14Å; L265-Q267 VanDerWaalsContact C-N 3.3Å; L265-Q267 PolarHBondContact O-N 2.66Å; Q267-R269 VanDerWaalsContact C-N 3.28Å; Q267-R269 PolarHBondContact O-N 3.22Å; Q267-A270 WeakPolarHBondContact O-CB 3.38Å; Q267-A270 PolarHBondContact O-N 2.98Å
268	L	86.6	Confident	89.8	Confident	65 Å²	65	71.9 Å²	71.9	34%	0.34	40%	0.401	S	S	.	.	H	α-helix	trans	-68	-26.5	178.8	-71.6	167.6	0	0	0	113.5	I251 L255 S264 L265	I251-L268 HydrophobicContact CG2-CD1 3.99Å; L255-L268 HydrophobicContact CD1-CD1 4.33Å; L255-L268 HydrophobicContact CD2-CD1 3.82Å; L255-L268 HydrophobicContact CG-CD1 3.93Å; S264-L268 WeakPolarHBondContact O-CG 3.33Å; S264-L268 PolarHBondContact O-N 3.34Å; L265-L268 PolarHBondContact O-N 3.23Å
269	R	87.6	Confident	89.4	Confident	117 Å²	117	77.1 Å²	77.1	44%	0.442	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-8.4	176.5	-69	167	173.5	168	-10.8	113.2	P227 E228 A230 L265 Q267	P227-R269 PolarHBondContact O-NH2 3.47Å; E228-R269 PolarHBondContact O-NH1 3.16Å; E228-R269 VanDerWaalsContact O-NH1 3.13Å; A230-R269 PolarHBondContact O-NH2 2.9Å; L265-R269 VanDerWaalsContact O-CB 3.24Å; L265-R269 WeakPolarHBondContact O-CB 3.36Å; L265-R269 WeakPolarHBondContact O-CD 3.25Å; L265-R269 WeakPolarHBondContact O-CG 3.42Å; L265-R269 PolarHBondContact O-N 2.92Å; Q267-R269 VanDerWaalsContact C-N 3.28Å; Q267-R269 PolarHBondContact O-N 3.22Å
270	A	78.2	Confident	88.9	Confident	60 Å²	60	69 Å²	69	50%	0.496	40%	0.396	S	S	.	.			trans	-64	140.1	177.2	0	0	0	0	0	109.6	G266 Q267	G266-A270 PolarHBondContact O-N 3.35Å; Q267-A270 WeakPolarHBondContact O-CB 3.38Å; Q267-A270 PolarHBondContact O-N 2.98Å
271	P	61	Low	88.1	Confident	202 Å²	202	71.2 Å²	71.2	100%	1.312	41%	0.41	S	S	*	.			trans	-65.9	0	-178.5	27.8	-34.9	0	0	0	113.7

Retrieved 271 of 271 residues in 796.2 ms (Link to these results)

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