A0A087XZU6_POEFO Loading...

5'-nucleotidase

Specifically hydrolyzes 7-methylguanosine monophosphate (m(7)GMP) to 7-methylguanosine and inorganic phosphate. The specific activity for m(7)GMP may protect cells against undesired salvage of m(7)GMP and its incorporation into nucleic acids. Also has weak activity for CMP. UMP and purine nucleotides are poor substrates.

AlphaFold DB , UniProt , Accession A0A087XZU6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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	34.9	Very low	33.8	Very low	231 Å²	231	148.2 Å²	148.2	100%	1.138	85%	0.845	S	S	*	*				0	119.4	0	-138.9	-178.6	-76.8	0	0	106.4
2	Q	35.7	Very low	33.7	Very low	176 Å²	176	144.6 Å²	144.6	82%	0.822	84%	0.836	S	S	*	*			trans	65.1	102	170.7	-69.4	164.1	-22.5	0	0	117.4
3	H	32.5	Very low	34	Very low	173 Å²	173	146.7 Å²	146.7	80%	0.801	84%	0.841	S	S	*	*				72.9	112.3	70.5	-84.4	-61.9	0	0	0	116.3
4	C	30.5	Very low	34	Very low	110 Å²	110	142.2 Å²	142.2	74%	0.743	83%	0.83	S	S	*	*			trans	59.6	144	131	-65.8	0	0	0	0	118.9
5	I	32.8	Very low	34.2	Very low	160 Å²	160	144.8 Å²	144.8	82%	0.821	83%	0.834	S	S	*	*			cis	-157.8	151.6	40.2	-68.8	175.7	0	0	0	109.8
6	L	37.4	Very low	34.4	Very low	163 Å²	163	147 Å²	147	85%	0.853	84%	0.835	S	S	*	*			trans	-59.2	149.2	171.1	-71.1	118.3	0	0	0	115.4
7	A	31.8	Very low	35	Very low	100 Å²	100	146 Å²	146	83%	0.826	83%	0.833	S	S	*	*			trans	-160.5	98.3	138.9	0	0	0	0	0	110.5
8	G	31.3	Very low	35.3	Very low	70 Å²	70	145.6 Å²	145.6	72%	0.722	83%	0.827	S	S	*	*			trans	-86.1	128.5	161.7	0	0	0	0	0	109.2	H10	G8-H10 PolarHBondContact O-N 2.88Å
9	T	31.2	Very low	35.6	Very low	147 Å²	147	142.5 Å²	142.5	90%	0.902	81%	0.813	S	S	*	*			trans	-90.4	94.4	171.9	41.4	0	0	0	0	109	S11	T9-S11 PolarHBondContact O-N 3.13Å
10	H	36.1	Very low	36.2	Very low	183 Å²	183	144.2 Å²	144.2	85%	0.847	81%	0.813	S	S	*	*			trans	-72	120.4	163.2	-85.8	-73	0	0	0	109.1	G8 S12	G8-H10 PolarHBondContact O-N 2.88Å; H10-S12 PolarHBondContact O-N 3.07Å
11	S	37.8	Very low	36.5	Very low	117 Å²	117	145.7 Å²	145.7	82%	0.818	81%	0.811	S	S	*	*			trans	-71.9	102.2	162.8	61.4	0	0	0	0	109	T9	T9-S11 PolarHBondContact O-N 3.13Å
12	S	32.8	Very low	36.7	Very low	105 Å²	105	137.2 Å²	137.2	73%	0.734	78%	0.778	S	S	*	*			trans	-97.1	107.4	158.8	63.2	0	0	0	0	107.7	H10 A14	H10-S12 PolarHBondContact O-N 3.07Å; S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 2.88Å
13	L	36.8	Very low	37.2	Very low	172 Å²	172	131.8 Å²	131.8	90%	0.901	76%	0.763	S	S	*	*			trans	-59.3	103.7	158.1	-106.9	85.1	0	0	0	106.6	M15	L13-M15 PolarHBondContact O-N 3.47Å; L13-M15 VanDerWaalsContact O-N 3.11Å
14	A	33.7	Very low	38	Very low	84 Å²	84	126.7 Å²	126.7	69%	0.694	74%	0.744	S	S	*	*			trans	-67.7	105.6	162.8	0	0	0	0	0	106.8	S12 Q16	S12-A14 VanDerWaalsContact C-N 3.34Å; S12-A14 PolarHBondContact O-N 2.88Å; A14-Q16 VanDerWaalsContact C-N 3.26Å; A14-Q16 PolarHBondContact O-N 2.61Å
15	M	37.6	Very low	38.9	Very low	181 Å²	181	125.8 Å²	125.8	89%	0.892	73%	0.729	S	S	*	*			trans	-57.9	99.7	156.1	-99.4	174.5	119.1	0	0	106.1	L13 T17	L13-M15 PolarHBondContact O-N 3.47Å; L13-M15 VanDerWaalsContact O-N 3.11Å; M15-T17 VanDerWaalsContact C-N 3.32Å; M15-T17 PolarHBondContact O-N 3.26Å
16	Q	37.8	Very low	40.4	Very low	180 Å²	180	122.1 Å²	122.1	84%	0.841	71%	0.711	S	S	*	*			trans	-63.5	99.6	165.8	-83.7	178.4	-25.1	0	0	106.9	A14 L18	A14-Q16 VanDerWaalsContact C-N 3.26Å; A14-Q16 PolarHBondContact O-N 2.61Å; Q16-L18 PolarHBondContact O-N 3.46Å
17	T	44.3	Very low	42	Very low	130 Å²	130	118.7 Å²	118.7	80%	0.798	69%	0.693	S	S	*	*			trans	-61	106.7	162.2	46.6	0	0	0	0	107	M15	M15-T17 VanDerWaalsContact C-N 3.32Å; M15-T17 PolarHBondContact O-N 3.26Å
18	L	41.3	Very low	44	Very low	139 Å²	139	114.8 Å²	114.8	73%	0.728	66%	0.657	S	S	*	*			trans	-52.2	137.7	165.9	-76.5	160	0	0	0	108	Q16 E20	Q16-L18 PolarHBondContact O-N 3.46Å; L18-E20 PolarHBondContact O-N 2.95Å
19	P	41	Very low	46.1	Very low	87 Å²	87	113.3 Å²	113.3	57%	0.565	63%	0.631	S	S	*	*			trans	-58.3	130.6	177.2	22.5	-29.8	0	0	0	108.8	K21 A22	P19-K21 PolarHBondContact O-N 2.89Å; P19-A22 HydrophobicContact CG-CB 4.11Å; P19-A22 PolarHBondContact O-N 2.79Å
20	E	46.7	Very low	48.5	Very low	175 Å²	175	113.2 Å²	113.2	82%	0.818	62%	0.618	S	S	*	*	H	α-helix	trans	-48.5	-31.3	-175.1	-142	170.4	-169.5	0	0	112.9	L18 A23 T24	L18-E20 PolarHBondContact O-N 2.95Å; E20-A23 PolarHBondContact O-N 2.76Å; E20-T24 PolarHBondContact O-N 2.78Å; E20-T24 PolarHBondContact O-OG1 2.92Å
21	K	42.5	Very low	50.7	Low	176 Å²	176	109.1 Å²	109.1	77%	0.765	60%	0.601	S	S	*	*	H	α-helix	trans	-66	-33.9	174.9	-73.2	-174.6	173.5	-173.9	0	115.2	P19 T24 H25	P19-K21 PolarHBondContact O-N 2.89Å; K21-T24 WeakPolarHBondContact CA-OG1 3.32Å; K21-T24 PolarHBondContact O-OG1 2.74Å; K21-H25 PolarHBondContact O-N 3.46Å
22	A	39.6	Very low	53.1	Low	54 Å²	54	103.6 Å²	103.6	45%	0.446	56%	0.562	S	S	.	*	H	α-helix	trans	-78.5	-24.5	177.3	0	0	0	0	0	112	P19	P19-A22 HydrophobicContact CG-CB 4.11Å; P19-A22 PolarHBondContact O-N 2.79Å
23	A	46.1	Very low	55.8	Low	62 Å²	62	102 Å²	102	51%	0.512	55%	0.549	S	S	.	.	H	α-helix	trans	-76	-37.3	175.4	0	0	0	0	0	112.1	E20	E20-A23 PolarHBondContact O-N 2.76Å
24	T	48.5	Very low	58.4	Low	66 Å²	66	96.5 Å²	96.5	41%	0.405	52%	0.519	S	S	.	.	H	α-helix	trans	-69.3	-33.9	175.1	40.9	0	0	0	0	113.3	E20 K21 N26 L27 Q49	E20-T24 PolarHBondContact O-N 2.78Å; E20-T24 PolarHBondContact O-OG1 2.92Å; K21-T24 WeakPolarHBondContact CA-OG1 3.32Å; K21-T24 PolarHBondContact O-OG1 2.74Å; T24-N26 PolarHBondContact O-N 3.04Å; T24-L27 PolarHBondContact O-N 2.84Å; T24-Q49 PolarHBondContact O-OE1 3.42Å
25	H	50.7	Low	61.2	Low	91 Å²	91	92.8 Å²	92.8	42%	0.421	49%	0.487	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-15.2	178.8	-144.9	-66.8	0	0	0	113.4	K21 F29 Q46 Q49	K21-H25 PolarHBondContact O-N 3.46Å; H25-F29 WeakPolarHBondContact O-CD2 3.41Å; H25-Q46 PolarHBondContact CD2-OE1 3.48Å; H25-Q49 PolarHBondContact O-NE2 2.77Å
26	N	63.6	Low	63.7	Low	82 Å²	82	88 Å²	88	44%	0.439	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	-3.8	-174.4	-143.6	-25.5	0	0	0	113.1	T24 K30	T24-N26 PolarHBondContact O-N 3.04Å; N26-K30 VanDerWaalsContact O-CD 3.31Å; N26-K30 WeakPolarHBondContact O-CD 3.33Å; N26-K30 WeakPolarHBondContact O-CG 3.41Å; N26-K30 PolarHBondContact O-N 2.94Å
27	L	71.3	Confident	66.2	Low	92 Å²	92	82.7 Å²	82.7	48%	0.482	45%	0.449	S	S	.	.	H	α-helix	trans	-77.5	-51.9	-172.9	-174.8	63.9	0	0	0	111.9	T24 F29 K30 M31	T24-L27 PolarHBondContact O-N 2.84Å; L27-F29 PolarHBondContact O-N 3.31Å; L27-K30 WeakPolarHBondContact O-CB 3.45Å; L27-K30 PolarHBondContact O-N 3.36Å; L27-M31 HydrophobicContact CD1-SD 4.42Å; L27-M31 HydrophobicContact CG-SD 4.09Å; L27-M31 WeakPolarHBondContact O-CG 3.35Å; L27-M31 PolarHBondContact O-N 2.8Å
28	F	73.7	Confident	68.3	Low	17 Å²	17	85.8 Å²	85.8	8%	0.075	45%	0.454	C	S	.	.	H	α-helix	trans	-69	-33.4	180	-74.2	-74.6	0	0	0	112.7	K30 M31 I32 Q49 L52 K53 L314	F28-K30 PolarHBondContact O-N 3.14Å; F28-M31 HydrophobicContact CD1-SD 4.46Å; F28-M31 CarbonylContact O-C 3.55Å; F28-M31 PolarHBondContact O-N 3.39Å; F28-M31 VanDerWaalsContact O-N 3.08Å; F28-I32 PolarHBondContact O-N 3.33Å; F28-Q49 HydrophobicContact CB-CG 4.14Å; F28-Q49 HydrophobicContact CD2-CB 3.87Å; F28-Q49 HydrophobicContact CD2-CG 3.95Å; F28-Q49 HydrophobicContact CE2-CB 4.43Å; F28-Q49 HydrophobicContact CG-CG 4.43Å; F28-L52 HydrophobicContact CD1-CB 4.21Å; F28-L52 HydrophobicContact CD1-CD1 4.33Å; F28-L52 HydrophobicContact CE1-CB 4.06Å; F28-L52 HydrophobicContact CG-CD1 4.49Å; F28-L52 HydrophobicContact CZ-CB 4.32Å; F28-K53 HydrophobicContact CE2-CB 3.94Å; F28-K53 HydrophobicContact CZ-CB 3.83Å; F28-L314 HydrophobicContact CD1-CD1 4.49Å; F28-L314 HydrophobicContact CD1-CD2 3.65Å; F28-L314 HydrophobicContact CE1-CD1 4.29Å; F28-L314 HydrophobicContact CE1-CD2 3.67Å
29	F	75.9	Confident	70.7	Confident	39 Å²	39	81.3 Å²	81.3	17%	0.171	43%	0.434	C	S	.	.	H	α-helix	trans	-66.6	-21	171.3	-74	-78.5	0	0	0	113.3	H25 L27 I32 P33 L35 M42 P45	H25-F29 WeakPolarHBondContact O-CD2 3.41Å; L27-F29 PolarHBondContact O-N 3.31Å; F29-I32 CarbonylContact O-C 3.6Å; F29-P33 VanDerWaalsContact O-CA 3.3Å; F29-P33 WeakPolarHBondContact O-CA 3.48Å; F29-L35 HydrophobicContact CD1-CB 3.76Å; F29-L35 HydrophobicContact CE1-CB 3.68Å; F29-M42 HydrophobicContact CE1-CE 3.64Å; F29-M42 HydrophobicContact CZ-CE 3.59Å; F29-M42 HydrophobicContact CZ-SD 4.44Å; F29-P45 HydrophobicContact CE2-CB 4.22Å; F29-P45 HydrophobicContact CZ-CB 4.08Å
30	K	80	Confident	73.4	Confident	145 Å²	145	77.8 Å²	77.8	63%	0.63	41%	0.411	S	S	*	.	H	α-helix	trans	-82.2	-30.4	169.2	-74.8	170.8	-174.8	-179.2	0	112.7	N26 L27 F28	N26-K30 VanDerWaalsContact O-CD 3.31Å; N26-K30 WeakPolarHBondContact O-CD 3.33Å; N26-K30 WeakPolarHBondContact O-CG 3.41Å; N26-K30 PolarHBondContact O-N 2.94Å; L27-K30 WeakPolarHBondContact O-CB 3.45Å; L27-K30 PolarHBondContact O-N 3.36Å; F28-K30 PolarHBondContact O-N 3.14Å
31	M	83.1	Confident	75.8	Confident	98 Å²	98	71.2 Å²	71.2	48%	0.483	38%	0.382	S	S	.	.	H	α-helix	trans	-83.6	-29	-179.8	-65.3	177.5	78.8	0	0	112.7	L27 F28 L314	L27-M31 HydrophobicContact CD1-SD 4.42Å; L27-M31 HydrophobicContact CG-SD 4.09Å; L27-M31 WeakPolarHBondContact O-CG 3.35Å; L27-M31 PolarHBondContact O-N 2.8Å; F28-M31 HydrophobicContact CD1-SD 4.46Å; F28-M31 CarbonylContact O-C 3.55Å; F28-M31 PolarHBondContact O-N 3.39Å; F28-M31 VanDerWaalsContact O-N 3.08Å; M31-L314 HydrophobicContact CB-CD1 4.37Å; M31-L314 HydrophobicContact CE-CD1 3.29Å; M31-L314 HydrophobicContact SD-CD1 4.11Å
32	I	89.1	Confident	78.4	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	35%	0.353	C	S	.	.			trans	-128.3	77.7	173.5	-53.4	176.1	0	0	0	107.3	F28 F29 E34 L35 L52 A310 V311 L314	F28-I32 PolarHBondContact O-N 3.33Å; F29-I32 CarbonylContact O-C 3.6Å; I32-E34 VanDerWaalsContact C-OE2 3.23Å; I32-E34 WeakPolarHBondContact CA-OE2 3.43Å; I32-E34 HydrophobicContact CG2-CB 4.4Å; I32-E34 WeakPolarHBondContact CG2-OE2 3.33Å; I32-E34 PolarHBondContact O-N 3.18Å; I32-L35 HydrophobicContact CB-CD1 3.93Å; I32-L35 HydrophobicContact CB-CG 4.11Å; I32-L35 HydrophobicContact CD1-CD1 4.29Å; I32-L35 HydrophobicContact CG2-CB 4.44Å; I32-L35 HydrophobicContact CG2-CD1 3.98Å; I32-L35 HydrophobicContact CG2-CG 3.63Å; I32-L35 PolarHBondContact O-N 3.37Å; I32-L52 HydrophobicContact CD1-CD1 4.4Å; I32-A310 HydrophobicContact CG1-CB 4.5Å; I32-A310 HydrophobicContact CG2-CB 3.6Å; I32-V311 HydrophobicContact CD1-CG2 4.09Å; I32-L314 HydrophobicContact CD1-CB 4.13Å; I32-L314 HydrophobicContact CD1-CD2 3.65Å; I32-L314 HydrophobicContact CG1-CB 4.43Å; I32-L314 HydrophobicContact CG1-CD2 4.34Å
33	P	89.6	Confident	81.2	Confident	72 Å²	72	68.1 Å²	68.1	47%	0.468	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-55.1	-30.4	178.5	-25.3	35.7	0	0	0	113.6	F29 L35 S36	F29-P33 VanDerWaalsContact O-CA 3.3Å; F29-P33 WeakPolarHBondContact O-CA 3.48Å; P33-L35 PolarHBondContact O-N 2.98Å; P33-S36 VanDerWaalsContact O-CB 3.29Å; P33-S36 WeakPolarHBondContact O-CB 3.44Å; P33-S36 PolarHBondContact O-N 3.21Å; P33-S36 PolarHBondContact O-OG 3.25Å
34	E	91.4	Very high	83.6	Confident	56 Å²	56	68.9 Å²	68.9	26%	0.262	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-61.2	-26.3	-177	-54.1	84.3	178.4	0	0	112	I32 S36 N37 E306 I307	I32-E34 VanDerWaalsContact C-OE2 3.23Å; I32-E34 WeakPolarHBondContact CA-OE2 3.43Å; I32-E34 HydrophobicContact CG2-CB 4.4Å; I32-E34 WeakPolarHBondContact CG2-OE2 3.33Å; I32-E34 PolarHBondContact O-N 3.18Å; E34-S36 PolarHBondContact O-N 3.25Å; E34-S36 VanDerWaalsContact O-N 3.07Å; E34-N37 VanDerWaalsContact O-CB 3.29Å; E34-N37 WeakPolarHBondContact O-CB 3.33Å; E34-N37 VanDerWaalsContact O-CG 3.28Å; E34-N37 PolarHBondContact O-N 3.43Å; E34-N37 PolarHBondContact O-ND2 3.15Å; E34-E306 HydrophobicContact CB-CG 4.24Å; E34-E306 HydrophobicContact CG-CG 3.8Å; E34-I307 VanDerWaalsContact C-CD1 3.44Å; E34-I307 HydrophobicContact CB-CD1 3.39Å; E34-I307 WeakPolarHBondContact O-CD1 3.37Å
35	L	91.4	Very high	85.7	Confident	6 Å²	6	67.8 Å²	67.8	3%	0.031	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-63.1	-13.8	173.2	-71.4	174.3	0	0	0	113.6	F29 I32 P33 V40 M42 L52 I297 I307	F29-L35 HydrophobicContact CD1-CB 3.76Å; F29-L35 HydrophobicContact CE1-CB 3.68Å; I32-L35 HydrophobicContact CB-CD1 3.93Å; I32-L35 HydrophobicContact CB-CG 4.11Å; I32-L35 HydrophobicContact CD1-CD1 4.29Å; I32-L35 HydrophobicContact CG2-CB 4.44Å; I32-L35 HydrophobicContact CG2-CD1 3.98Å; I32-L35 HydrophobicContact CG2-CG 3.63Å; I32-L35 PolarHBondContact O-N 3.37Å; P33-L35 PolarHBondContact O-N 2.98Å; L35-V40 HydrophobicContact CD2-CG1 4.18Å; L35-M42 HydrophobicContact CB-CE 4.29Å; L35-M42 HydrophobicContact CD2-CE 4.5Å; L35-L52 HydrophobicContact CD1-CD1 4.42Å; L35-I297 HydrophobicContact CD2-CD1 3.93Å; L35-I307 HydrophobicContact CD2-CD1 4.37Å; L35-I307 HydrophobicContact CD2-CG2 3.84Å
36	S	89.4	Confident	87.8	Confident	79 Å²	79	65.9 Å²	65.9	55%	0.552	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-89.2	-2.1	176.9	-49.2	0	0	0	0	113.3	P33 E34	P33-S36 VanDerWaalsContact O-CB 3.29Å; P33-S36 WeakPolarHBondContact O-CB 3.44Å; P33-S36 PolarHBondContact O-N 3.21Å; P33-S36 PolarHBondContact O-OG 3.25Å; E34-S36 PolarHBondContact O-N 3.25Å; E34-S36 VanDerWaalsContact O-N 3.07Å
37	N	91.3	Very high	89.3	Confident	69 Å²	69	68.7 Å²	68.7	37%	0.369	34%	0.344	S	S	.	.	S	Bend	trans	-65.3	144.2	178.5	-72.5	-19.4	0	0	0	111.2	E34 S39 V40 E306	E34-N37 VanDerWaalsContact O-CB 3.29Å; E34-N37 WeakPolarHBondContact O-CB 3.33Å; E34-N37 VanDerWaalsContact O-CG 3.28Å; E34-N37 PolarHBondContact O-N 3.43Å; E34-N37 PolarHBondContact O-ND2 3.15Å; N37-S39 PolarHBondContact O-N 3.35Å; N37-V40 HydrophobicContact CB-CG2 4.02Å; N37-V40 WeakPolarHBondContact O-CB 3.34Å; N37-V40 PolarHBondContact O-N 2.94Å; N37-E306 PolarHBondContact ND2-OE2 3.25Å
38	E	89.2	Confident	90.5	Very high	196 Å²	196	64.4 Å²	64.4	92%	0.916	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-25.2	-177.2	-65	-174.1	169.4	0	0	113.7	V40	E38-V40 PolarHBondContact O-N 3.2Å
39	S	90.9	Very high	91.5	Very high	44 Å²	44	63.9 Å²	63.9	31%	0.308	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.3	175.3	52.8	0	0	0	0	113.4	N37 V300	N37-S39 PolarHBondContact O-N 3.35Å; S39-V300 PolarHBondContact O-N 3.46Å
40	V	97.2	Very high	92.5	Very high	13 Å²	13	66.1 Å²	66.1	8%	0.079	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	115.4	-179.9	-174.4	0	0	0	0	109.1	L35 N37 E38 M42 I297 L299 I307	L35-V40 HydrophobicContact CD2-CG1 4.18Å; N37-V40 HydrophobicContact CB-CG2 4.02Å; N37-V40 WeakPolarHBondContact O-CB 3.34Å; N37-V40 PolarHBondContact O-N 2.94Å; E38-V40 PolarHBondContact O-N 3.2Å; V40-M42 HydrophobicContact CG1-CE 4.24Å; V40-I297 HydrophobicContact CG1-CG2 3.78Å; V40-L299 HydrophobicContact CB-CD2 4.43Å; V40-L299 HydrophobicContact CG1-CD2 4.16Å; V40-L299 HydrophobicContact CG2-CD2 3.89Å; V40-I307 HydrophobicContact CG2-CD1 3.91Å; V40-I307 HydrophobicContact CG2-CG1 3.93Å
41	L	97.8	Very high	93.3	Very high	38 Å²	38	60.2 Å²	60.2	20%	0.199	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	138.3	179.4	-47.7	178.6	0	0	0	110.6	K288 L292 V298 V300	L41-K288 HydrophobicContact CD1-CD 4.22Å; L41-K288 HydrophobicContact CD1-CG 4.3Å; L41-L292 HydrophobicContact CB-CD2 3.75Å; L41-V298 HydrophobicContact CB-CB 4.28Å; L41-V298 PolarHBondContact N-O 2.95Å; L41-V298 PolarHBondContact O-N 2.91Å; L41-V300 HydrophobicContact CD1-CG2 3.49Å; L41-V300 VanDerWaalsContact CD1-CG2 3.49Å; L41-V300 HydrophobicContact CG-CG2 3.9Å
42	M	97.1	Very high	93.9	Very high	32 Å²	32	55.6 Å²	55.6	16%	0.158	29%	0.286	C	S	.	.			trans	-137.6	127.2	176.2	-71	173.1	-84.9	0	0	108.5	F29 L35 V40 P45 V48 I297	F29-M42 HydrophobicContact CE1-CE 3.64Å; F29-M42 HydrophobicContact CZ-CE 3.59Å; F29-M42 HydrophobicContact CZ-SD 4.44Å; L35-M42 HydrophobicContact CB-CE 4.29Å; L35-M42 HydrophobicContact CD2-CE 4.5Å; V40-M42 HydrophobicContact CG1-CE 4.24Å; M42-P45 HydrophobicContact CB-CG 3.99Å; M42-P45 HydrophobicContact SD-CB 4.44Å; M42-V48 HydrophobicContact CG-CG2 4.08Å; M42-V48 HydrophobicContact SD-CB 4.09Å; M42-V48 HydrophobicContact SD-CG1 4.07Å; M42-V48 HydrophobicContact SD-CG2 3.82Å; M42-I297 HydrophobicContact CG-CG1 4.06Å; M42-I297 HydrophobicContact SD-CG1 4.23Å
43	K	97.1	Very high	94.3	Very high	132 Å²	132	60.8 Å²	60.8	57%	0.574	31%	0.308	S	S	*	.	S	Bend	trans	-69.8	-39.6	174.3	-178.8	177	175.2	179.6	0	111.5	L292 D293	K43-L292 HydrophobicContact CB-CB 4.28Å; K43-L292 HydrophobicContact CB-CD2 4.42Å; K43-L292 WeakPolarHBondContact CB-O 3.37Å; K43-L292 VanDerWaalsContact CD-O 3.28Å; K43-L292 WeakPolarHBondContact CD-O 3.41Å; K43-D293 WeakPolarHBondContact CD-OD1 3.42Å; K43-D293 WeakPolarHBondContact CE-OD1 3.28Å; K43-D293 IonicContact NZ-OD1 2.62Å; K43-D293 PolarHBondContact NZ-OD1 2.82Å
44	D	96.5	Very high	94.6	Very high	79 Å²	79	59.1 Å²	59.1	42%	0.422	30%	0.299	S	S	.	.			trans	-134.5	86.9	179.5	-172.7	-14.5	0	0	0	110.2	Q46 R47 V48	D44-Q46 PolarHBondContact O-N 3.38Å; D44-Q46 PolarHBondContact OD1-N 3.45Å; D44-Q46 VanDerWaalsContact OD1-N 3.15Å; D44-R47 HydrophobicContact CB-CB 3.88Å; D44-R47 VanDerWaalsContact CG-CB 3.46Å; D44-R47 WeakPolarHBondContact O-CB 3.47Å; D44-R47 PolarHBondContact O-N 2.93Å; D44-R47 PolarHBondContact OD1-N 3.34Å; D44-V48 PolarHBondContact O-N 3.1Å
45	P	94.3	Very high	94.9	Very high	42 Å²	42	56.7 Å²	56.7	27%	0.273	29%	0.287	S	S	.	.	H	α-helix	trans	-58.9	-29.8	177.9	-25.5	34.1	0	0	0	113.9	F29 M42 V48 Q49	F29-P45 HydrophobicContact CE2-CB 4.22Å; F29-P45 HydrophobicContact CZ-CB 4.08Å; M42-P45 HydrophobicContact CB-CG 3.99Å; M42-P45 HydrophobicContact SD-CB 4.44Å; P45-V48 PolarHBondContact O-N 3.2Å; P45-Q49 WeakPolarHBondContact O-CG 3.45Å; P45-Q49 PolarHBondContact O-N 3.38Å; P45-Q49 VanDerWaalsContact O-N 3.12Å
46	Q	94	Very high	95.1	Very high	52 Å²	52	59.6 Å²	59.6	24%	0.243	30%	0.302	C	S	.	.	H	α-helix	trans	-69.6	-41.8	179.4	-176.7	60.9	64.2	0	0	110.5	H25 D44 V48 Q49 D50	H25-Q46 PolarHBondContact CD2-OE1 3.48Å; D44-Q46 PolarHBondContact O-N 3.38Å; D44-Q46 PolarHBondContact OD1-N 3.45Å; D44-Q46 VanDerWaalsContact OD1-N 3.15Å; Q46-V48 VanDerWaalsContact C-N 3.32Å; Q46-V48 PolarHBondContact O-N 2.84Å; Q46-Q49 WeakPolarHBondContact O-CB 3.45Å; Q46-Q49 PolarHBondContact O-N 2.77Å; Q46-D50 PolarHBondContact NE2-OD1 3.29Å; Q46-D50 VanDerWaalsContact O-CG 3.27Å; Q46-D50 PolarHBondContact O-N 3.42Å
47	R	95.4	Very high	95.4	Very high	141 Å²	141	61.7 Å²	61.7	53%	0.532	31%	0.307	S	S	.	.	H	α-helix	trans	-57.7	-43.8	172.6	174.9	-176.1	170.4	121.5	2.7	112	D44 Q49 D50 I51 D296	D44-R47 HydrophobicContact CB-CB 3.88Å; D44-R47 VanDerWaalsContact CG-CB 3.46Å; D44-R47 WeakPolarHBondContact O-CB 3.47Å; D44-R47 PolarHBondContact O-N 2.93Å; D44-R47 PolarHBondContact OD1-N 3.34Å; R47-Q49 VanDerWaalsContact C-N 3.3Å; R47-Q49 PolarHBondContact O-N 3.12Å; R47-D50 PolarHBondContact O-N 3.28Å; R47-I51 HydrophobicContact CG-CD1 3.94Å; R47-I51 VanDerWaalsContact O-CG1 3.32Å; R47-I51 WeakPolarHBondContact O-CG1 3.45Å; R47-I51 PolarHBondContact O-N 2.99Å; R47-D296 IonicContact CZ-OD1 3.61Å; R47-D296 IonicContact NE-OD1 2.64Å; R47-D296 PolarHBondContact NE-OD1 2.95Å; R47-D296 IonicContact NH2-OD1 2.95Å
48	V	96.6	Very high	95.6	Very high	2 Å²	2	60.3 Å²	60.3	1%	0.012	31%	0.306	C	S	.	.	H	α-helix	trans	-58.1	-44.7	176.2	176.1	0	0	0	0	110.8	M42 D44 P45 Q46 D50 I51 L52 L275 D296 I297	M42-V48 HydrophobicContact CG-CG2 4.08Å; M42-V48 HydrophobicContact SD-CB 4.09Å; M42-V48 HydrophobicContact SD-CG1 4.07Å; M42-V48 HydrophobicContact SD-CG2 3.82Å; D44-V48 PolarHBondContact O-N 3.1Å; P45-V48 PolarHBondContact O-N 3.2Å; Q46-V48 VanDerWaalsContact C-N 3.32Å; Q46-V48 PolarHBondContact O-N 2.84Å; V48-D50 PolarHBondContact O-N 2.98Å; V48-I51 PolarHBondContact O-N 3.39Å; V48-L52 HydrophobicContact CG1-CD1 4Å; V48-L52 HydrophobicContact CG1-CG 4.4Å; V48-L52 WeakPolarHBondContact O-CG 3.45Å; V48-L52 PolarHBondContact O-N 2.9Å; V48-L275 HydrophobicContact CG1-CD1 4.25Å; V48-D296 HydrophobicContact CG2-CB 4.01Å; V48-D296 WeakPolarHBondContact CG2-O 3.47Å; V48-I297 HydrophobicContact CG1-CD1 3.88Å; V48-I297 HydrophobicContact CG1-CG1 4Å; V48-I297 HydrophobicContact CG2-CG1 4.09Å
49	Q	94.6	Very high	95.9	Very high	6 Å²	6	52 Å²	52	3%	0.028	27%	0.272	C	S	.	.	H	α-helix	trans	-62.5	-42.6	177	-68.9	179.9	6.4	0	0	112.8	T24 H25 F28 P45 Q46 R47 I51 L52 K53	T24-Q49 PolarHBondContact O-OE1 3.42Å; H25-Q49 PolarHBondContact O-NE2 2.77Å; F28-Q49 HydrophobicContact CB-CG 4.14Å; F28-Q49 HydrophobicContact CD2-CB 3.87Å; F28-Q49 HydrophobicContact CD2-CG 3.95Å; F28-Q49 HydrophobicContact CE2-CB 4.43Å; F28-Q49 HydrophobicContact CG-CG 4.43Å; P45-Q49 WeakPolarHBondContact O-CG 3.45Å; P45-Q49 PolarHBondContact O-N 3.38Å; P45-Q49 VanDerWaalsContact O-N 3.12Å; Q46-Q49 WeakPolarHBondContact O-CB 3.45Å; Q46-Q49 PolarHBondContact O-N 2.77Å; R47-Q49 VanDerWaalsContact C-N 3.3Å; R47-Q49 PolarHBondContact O-N 3.12Å; Q49-I51 VanDerWaalsContact C-N 3.31Å; Q49-I51 PolarHBondContact O-N 3.28Å; Q49-L52 PolarHBondContact O-N 3.44Å; Q49-K53 WeakPolarHBondContact O-CB 3.2Å; Q49-K53 PolarHBondContact O-N 3.41Å
50	D	95.8	Very high	96.1	Very high	86 Å²	86	51.4 Å²	51.4	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-38	179.8	-65.7	-15.5	0	0	0	111.1	Q46 R47 V48 S54	Q46-D50 PolarHBondContact NE2-OD1 3.29Å; Q46-D50 VanDerWaalsContact O-CG 3.27Å; Q46-D50 PolarHBondContact O-N 3.42Å; R47-D50 PolarHBondContact O-N 3.28Å; V48-D50 PolarHBondContact O-N 2.98Å; D50-S54 WeakPolarHBondContact O-CB 3.06Å; D50-S54 PolarHBondContact O-N 3.5Å; D50-S54 PolarHBondContact O-OG 3.14Å
51	I	97.6	Very high	96	Very high	21 Å²	21	56.5 Å²	56.5	11%	0.108	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-52.6	173.1	-65.7	163.8	0	0	0	110.3	R47 V48 Q49 K53 S54 L55 L275	R47-I51 HydrophobicContact CG-CD1 3.94Å; R47-I51 VanDerWaalsContact O-CG1 3.32Å; R47-I51 WeakPolarHBondContact O-CG1 3.45Å; R47-I51 PolarHBondContact O-N 2.99Å; V48-I51 PolarHBondContact O-N 3.39Å; Q49-I51 VanDerWaalsContact C-N 3.31Å; Q49-I51 PolarHBondContact O-N 3.28Å; I51-K53 VanDerWaalsContact C-N 3.27Å; I51-K53 PolarHBondContact O-N 2.87Å; I51-S54 WeakPolarHBondContact O-CB 3.32Å; I51-S54 PolarHBondContact O-N 3.1Å; I51-L55 HydrophobicContact CG2-CD1 3.95Å; I51-L55 HydrophobicContact CG2-CG 4.2Å; I51-L55 WeakPolarHBondContact O-CG 3.5Å; I51-L55 PolarHBondContact O-N 2.9Å; I51-L275 HydrophobicContact CG2-CB 3.8Å; I51-L275 HydrophobicContact CG2-CD1 4.13Å
52	L	96.7	Very high	95.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.2	-41.2	179.9	-74.4	173.3	0	0	0	112.1	F28 I32 L35 V48 Q49 L55 L56 L275 V311 L314	F28-L52 HydrophobicContact CD1-CB 4.21Å; F28-L52 HydrophobicContact CD1-CD1 4.33Å; F28-L52 HydrophobicContact CE1-CB 4.06Å; F28-L52 HydrophobicContact CG-CD1 4.49Å; F28-L52 HydrophobicContact CZ-CB 4.32Å; I32-L52 HydrophobicContact CD1-CD1 4.4Å; L35-L52 HydrophobicContact CD1-CD1 4.42Å; V48-L52 HydrophobicContact CG1-CD1 4Å; V48-L52 HydrophobicContact CG1-CG 4.4Å; V48-L52 WeakPolarHBondContact O-CG 3.45Å; V48-L52 PolarHBondContact O-N 2.9Å; Q49-L52 PolarHBondContact O-N 3.44Å; L52-L55 PolarHBondContact O-N 3.32Å; L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 PolarHBondContact O-N 3.2Å; L52-L275 HydrophobicContact CD2-CD2 3.71Å; L52-L275 HydrophobicContact CG-CD2 4.43Å; L52-V311 HydrophobicContact CD2-CG1 3.88Å; L52-V311 HydrophobicContact CD2-CG2 4.17Å; L52-L314 HydrophobicContact CB-CD2 4.47Å; L52-L314 HydrophobicContact CD2-CD2 4.32Å
53	K	95.8	Very high	96	Very high	110 Å²	110	55 Å²	55	48%	0.478	29%	0.288	S	S	.	.	H	α-helix	trans	-61.3	-46.2	173.9	-176.1	176.9	176.9	-177.6	0	111.7	F28 Q49 I51 L55 L56 D57	F28-K53 HydrophobicContact CE2-CB 3.94Å; F28-K53 HydrophobicContact CZ-CB 3.83Å; Q49-K53 WeakPolarHBondContact O-CB 3.2Å; Q49-K53 PolarHBondContact O-N 3.41Å; I51-K53 VanDerWaalsContact C-N 3.27Å; I51-K53 PolarHBondContact O-N 2.87Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-L55 PolarHBondContact O-N 3.41Å; K53-L56 PolarHBondContact O-N 3.19Å; K53-D57 WeakPolarHBondContact O-CB 3.48Å; K53-D57 VanDerWaalsContact O-CG 3.26Å; K53-D57 PolarHBondContact O-N 3.47Å
54	S	97.4	Very high	96	Very high	38 Å²	38	48.9 Å²	48.9	27%	0.266	26%	0.262	S	S	.	.	H	α-helix	trans	-64	-38.5	179.5	-55.6	0	0	0	0	112.1	D50 I51 A58	D50-S54 WeakPolarHBondContact O-CB 3.06Å; D50-S54 PolarHBondContact O-N 3.5Å; D50-S54 PolarHBondContact O-OG 3.14Å; I51-S54 WeakPolarHBondContact O-CB 3.32Å; I51-S54 PolarHBondContact O-N 3.1Å; S54-A58 WeakPolarHBondContact O-CB 3.44Å; S54-A58 PolarHBondContact O-N 3.26Å; S54-A58 VanDerWaalsContact O-N 3.11Å
55	L	97.1	Very high	96.1	Very high	5 Å²	5	45.1 Å²	45.1	3%	0.026	24%	0.242	C	C	.	.	H	α-helix	trans	-65.1	-43.7	173.9	-66.5	176.8	0	0	0	111.7	I51 L52 K53 A58 G59 L63 N251 H273 L275 L315	I51-L55 HydrophobicContact CG2-CD1 3.95Å; I51-L55 HydrophobicContact CG2-CG 4.2Å; I51-L55 WeakPolarHBondContact O-CG 3.5Å; I51-L55 PolarHBondContact O-N 2.9Å; L52-L55 PolarHBondContact O-N 3.32Å; K53-L55 VanDerWaalsContact C-N 3.32Å; K53-L55 PolarHBondContact O-N 3.41Å; L55-A58 PolarHBondContact O-N 3.14Å; L55-G59 PolarHBondContact O-N 3.2Å; L55-G59 VanDerWaalsContact O-N 3.15Å; L55-L63 HydrophobicContact CD2-CD1 4.47Å; L55-N251 HydrophobicContact CD2-CB 3.59Å; L55-H273 HydrophobicContact CD2-CB 3.77Å; L55-H273 HydrophobicContact CG-CB 4.41Å; L55-L275 HydrophobicContact CD1-CB 4.01Å; L55-L315 HydrophobicContact CB-CD1 4.19Å; L55-L315 HydrophobicContact CB-CD2 3.59Å; L55-L315 HydrophobicContact CD1-CD1 4.18Å
56	L	95.5	Very high	96.3	Very high	66 Å²	66	43.1 Å²	43.1	35%	0.346	23%	0.229	S	C	.	.	H	α-helix	trans	-63.5	-47.2	177.9	-176	67.1	0	0	0	111.5	L52 K53 A58 G59 L314 L315	L52-L56 WeakPolarHBondContact O-CB 3.47Å; L52-L56 PolarHBondContact O-N 3.2Å; K53-L56 PolarHBondContact O-N 3.19Å; L56-A58 VanDerWaalsContact C-N 3.26Å; L56-A58 PolarHBondContact O-N 3.14Å; L56-G59 PolarHBondContact O-N 3.42Å; L56-G59 VanDerWaalsContact O-N 3.17Å; L56-L314 WeakPolarHBondContact CD1-O 3.44Å; L56-L314 HydrophobicContact CD2-CD1 4.49Å; L56-L315 HydrophobicContact CB-CD2 4.11Å
57	D	95.7	Very high	96.5	Very high	123 Å²	123	40.7 Å²	40.7	66%	0.658	22%	0.217	S	C	*	.	H	α-helix	trans	-63.5	-31.9	179.4	-72	-17.1	0	0	0	111.9	K53	K53-D57 WeakPolarHBondContact O-CB 3.48Å; K53-D57 VanDerWaalsContact O-CG 3.26Å; K53-D57 PolarHBondContact O-N 3.47Å
58	A	95.9	Very high	96.6	Very high	41 Å²	41	34.4 Å²	34.4	34%	0.339	19%	0.194	S	C	.	.	H	α-helix	trans	-77.5	-25	176.7	0	0	0	0	0	113.7	S54 L55 L56 T62 N251	S54-A58 WeakPolarHBondContact O-CB 3.44Å; S54-A58 PolarHBondContact O-N 3.26Å; S54-A58 VanDerWaalsContact O-N 3.11Å; L55-A58 PolarHBondContact O-N 3.14Å; L56-A58 VanDerWaalsContact C-N 3.26Å; L56-A58 PolarHBondContact O-N 3.14Å; A58-T62 VanDerWaalsContact O-CG2 3.32Å; A58-T62 WeakPolarHBondContact O-CG2 3.25Å; A58-T62 PolarHBondContact O-OG1 2.98Å; A58-N251 WeakPolarHBondContact CB-ND2 3.29Å
59	G	94.9	Very high	96.7	Very high	20 Å²	20	34.3 Å²	34.3	21%	0.206	19%	0.194	C	C	.	.			trans	81.3	155.9	176.3	0	0	0	0	0	115.1	L55 L56 N61 T62	L55-G59 PolarHBondContact O-N 3.2Å; L55-G59 VanDerWaalsContact O-N 3.15Å; L56-G59 PolarHBondContact O-N 3.42Å; L56-G59 VanDerWaalsContact O-N 3.17Å; G59-N61 VanDerWaalsContact C-N 3.28Å; G59-N61 PolarHBondContact O-N 3.48Å; G59-T62 PolarHBondContact O-N 3.4Å; G59-T62 VanDerWaalsContact O-N 3.09Å; G59-T62 PolarHBondContact O-OG1 3.08Å
60	P	94.6	Very high	96.9	Very high	33 Å²	33	34.9 Å²	34.9	21%	0.214	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-66.6	-23.8	-167.7	25.2	-35.1	0	0	0	114.4	T62 L63 R249 L315 T316	P60-T62 PolarHBondContact O-N 3.05Å; P60-T62 VanDerWaalsContact O-N 3.13Å; P60-L63 WeakPolarHBondContact O-CB 3.47Å; P60-L63 PolarHBondContact O-N 3.43Å; P60-L63 VanDerWaalsContact O-N 3.1Å; P60-R249 PolarHBondContact O-NH1 3.18Å; P60-L315 WeakPolarHBondContact CD-O 3.43Å; P60-T316 HydrophobicContact CB-CG2 4.01Å
61	N	95.4	Very high	97	Very high	120 Å²	120	31 Å²	31	64%	0.642	18%	0.176	S	C	*	.	G	3₁₀ helix	trans	-66.9	-12.2	176.9	-66.8	-20.7	0	0	0	113.3	G59 R249	G59-N61 VanDerWaalsContact C-N 3.28Å; G59-N61 PolarHBondContact O-N 3.48Å; N61-R249 WeakPolarHBondContact O-CG 3.1Å; N61-R249 PolarHBondContact O-NH1 2.83Å
62	T	96.5	Very high	97.1	Very high	34 Å²	34	30 Å²	30	21%	0.209	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-100.4	-3.3	177.2	69.5	0	0	0	0	113.1	A58 G59 P60 R249 N251	A58-T62 VanDerWaalsContact O-CG2 3.32Å; A58-T62 WeakPolarHBondContact O-CG2 3.25Å; A58-T62 PolarHBondContact O-OG1 2.98Å; G59-T62 PolarHBondContact O-N 3.4Å; G59-T62 VanDerWaalsContact O-N 3.09Å; G59-T62 PolarHBondContact O-OG1 3.08Å; P60-T62 PolarHBondContact O-N 3.05Å; P60-T62 VanDerWaalsContact O-N 3.13Å; T62-R249 CarbonylContact O-C 3.6Å; T62-R249 WeakPolarHBondContact O-CA 3.22Å; T62-R249 WeakPolarHBondContact O-CB 3.46Å; T62-N251 WeakPolarHBondContact CB-ND2 3.36Å; T62-N251 WeakPolarHBondContact O-CB 3.31Å; T62-N251 PolarHBondContact O-N 2.98Å; T62-N251 VanDerWaalsContact O-N 3.17Å; T62-N251 PolarHBondContact OG1-ND2 2.68Å
63	L	97.9	Very high	97.2	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	142.1	-176.2	-173.9	66.4	0	0	0	111.1	L55 P60 I177 R249 N251 L253 L312 L315	L55-L63 HydrophobicContact CD2-CD1 4.47Å; P60-L63 WeakPolarHBondContact O-CB 3.47Å; P60-L63 PolarHBondContact O-N 3.43Å; P60-L63 VanDerWaalsContact O-N 3.1Å; L63-I177 HydrophobicContact CB-CG2 4.48Å; L63-I177 HydrophobicContact CD2-CD1 4.22Å; L63-I177 HydrophobicContact CD2-CG2 4.41Å; L63-I177 HydrophobicContact CG-CG2 4.28Å; L63-R249 WeakPolarHBondContact O-CD 3.36Å; L63-R249 PolarHBondContact O-NH1 3.06Å; L63-N251 CarbonylContact C-O 3.6Å; L63-N251 WeakPolarHBondContact CA-O 3.32Å; L63-N251 HydrophobicContact CD1-CB 4.43Å; L63-L253 HydrophobicContact CD1-CB 4.4Å; L63-L312 HydrophobicContact CD2-CD2 4.02Å; L63-L315 HydrophobicContact CD2-CD1 3.93Å
64	Q	97.7	Very high	97.3	Very high	4 Å²	4	25 Å²	25	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.8	160.8	63.3	179.7	-70.7	0	0	109.4	L246 R249 N251 V252 L253	Q64-L246 HydrophobicContact CB-CD1 4.5Å; Q64-R249 HydrophobicContact CB-CB 4.24Å; Q64-R249 PolarHBondContact NE2-O 2.93Å; Q64-N251 PolarHBondContact N-O 3.05Å; Q64-V252 HydrophobicContact CG-CG2 3.98Å; Q64-V252 WeakPolarHBondContact O-CA 3.41Å; Q64-L253 PolarHBondContact O-N 2.85Å
65	V	98.6	Very high	97.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.8	177.3	-175	0	0	0	0	109.3	F168 L172 I177 P178 L179 L180 L253 L312	V65-F168 HydrophobicContact CG1-CZ 4.04Å; V65-L172 HydrophobicContact CB-CD1 4.45Å; V65-L172 HydrophobicContact CG2-CD1 4.19Å; V65-L172 HydrophobicContact CG2-CD2 3.56Å; V65-I177 HydrophobicContact CG2-CG2 3.95Å; V65-P178 PolarHBondContact N-O 2.86Å; V65-L179 HydrophobicContact CB-CD1 3.85Å; V65-L179 HydrophobicContact CG1-CD1 3.62Å; V65-L179 WeakPolarHBondContact O-CA 3.36Å; V65-L180 PolarHBondContact O-N 2.98Å; V65-L253 WeakPolarHBondContact CA-O 3.35Å; V65-L253 HydrophobicContact CG1-CB 4.46Å; V65-L253 HydrophobicContact CG1-CD2 4.46Å; V65-L253 HydrophobicContact CG1-CG 4.47Å; V65-L253 HydrophobicContact CG2-CB 4.2Å; V65-L253 HydrophobicContact CG2-CD2 4.36Å; V65-L312 HydrophobicContact CG2-CD2 4.5Å
66	I	98.3	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121	174.6	-54.8	176.4	0	0	0	107.4	L180 F243 V252 L253 L254 M255 M264 A265 V268	I66-L180 CarbonylContact C-O 3.53Å; I66-L180 WeakPolarHBondContact CA-O 3.42Å; I66-L180 HydrophobicContact CG1-CB 4.34Å; I66-L180 HydrophobicContact CG1-CD2 4.49Å; I66-L180 HydrophobicContact CG2-CD2 4.29Å; I66-F243 HydrophobicContact CD1-CE1 3.99Å; I66-V252 HydrophobicContact CD1-CG1 4.04Å; I66-V252 HydrophobicContact CG1-CG1 4.21Å; I66-L253 PolarHBondContact N-O 2.93Å; I66-L254 CarbonylContact O-C 3.46Å; I66-L254 VanDerWaalsContact O-CA 3.29Å; I66-L254 WeakPolarHBondContact O-CA 3.35Å; I66-M255 PolarHBondContact O-N 3.14Å; I66-M264 HydrophobicContact CG2-CB 3.67Å; I66-M264 HydrophobicContact CG2-CE 4.41Å; I66-A265 HydrophobicContact CD1-CB 4.01Å; I66-V268 HydrophobicContact CD1-CG2 3.69Å
67	S	98.7	Very high	97.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	142.4	-175.4	-169.7	0	0	0	0	111.2	T72 L73 L180 I181 F182 M255	S67-T72 WeakPolarHBondContact OG-CG2 3.49Å; S67-L73 WeakPolarHBondContact OG-CG 3.45Å; S67-L180 PolarHBondContact N-O 2.92Å; S67-I181 CarbonylContact O-C 3.43Å; S67-I181 VanDerWaalsContact O-CA 3.31Å; S67-I181 WeakPolarHBondContact O-CA 3.48Å; S67-F182 PolarHBondContact O-N 2.98Å; S67-M255 CarbonylContact C-O 3.58Å; S67-M255 WeakPolarHBondContact CA-O 3.46Å
68	D	98.6	Very high	97.5	Very high	9 Å²	9	25.4 Å²	25.4	5%	0.048	14%	0.136	C	C	.	.			trans	-68.2	168.6	155.2	-176.6	60.9	0	0	0	110.1	D70 T72 L73 K232 M255 M264	D68-D70 PolarHBondContact OD2-N 3.45Å; D68-T72 HydrophobicContact CB-CG2 4.3Å; D68-T72 WeakPolarHBondContact O-CG2 3.37Å; D68-L73 WeakPolarHBondContact O-CD1 3.28Å; D68-L73 WeakPolarHBondContact O-CG 3.47Å; D68-K232 VanDerWaalsContact CG-NZ 3.32Å; D68-K232 IonicContact OD1-NZ 3.68Å; D68-K232 PolarHBondContact OD1-NZ 2.8Å; D68-M255 PolarHBondContact N-O 3.2Å; D68-M264 HydrophobicContact CB-CE 4.2Å; D68-M264 HydrophobicContact CB-SD 4.23Å
69	F	98.7	Very high	97.4	Very high	1 Å²	1	30.1 Å²	30.1	0%	0.004	16%	0.155	C	C	.	.			trans	-107.6	-58.2	178.4	-171.6	-108.9	0	0	0	113.7	M71 T72 L73 T74 C86 L161 I181 L190 V193 I194	F69-M71 PolarHBondContact O-N 2.7Å; F69-T72 PolarHBondContact O-N 2.73Å; F69-L73 HydrophobicContact CD2-CB 4Å; F69-L73 HydrophobicContact CD2-CD1 4.02Å; F69-L73 HydrophobicContact CE2-CB 4.39Å; F69-L73 PolarHBondContact O-N 3.28Å; F69-T74 HydrophobicContact CD1-CG2 4.09Å; F69-T74 HydrophobicContact CE1-CG2 3.54Å; F69-T74 HydrophobicContact CE2-CG2 4.16Å; F69-T74 HydrophobicContact CZ-CG2 3.58Å; F69-T74 PolarHBondContact O-N 3.12Å; F69-T74 PolarHBondContact O-OG1 2.92Å; F69-C86 WeakPolarHBondContact CD1-SG 3.46Å; F69-C86 VanDerWaalsContact CE1-SG 3.52Å; F69-L161 HydrophobicContact CE2-CD2 4.05Å; F69-L161 HydrophobicContact CZ-CD2 4.26Å; F69-I181 HydrophobicContact CB-CG2 3.7Å; F69-I181 HydrophobicContact CD2-CG2 4.1Å; F69-I181 HydrophobicContact CG-CG2 4.29Å; F69-L190 HydrophobicContact CB-CD1 3.6Å; F69-L190 HydrophobicContact CB-CG 4.24Å; F69-L190 HydrophobicContact CD1-CB 4.14Å; F69-L190 HydrophobicContact CD1-CD1 3.81Å; F69-L190 HydrophobicContact CD1-CG 3.61Å; F69-L190 HydrophobicContact CD2-CD1 4.05Å; F69-L190 HydrophobicContact CD2-CD2 4.3Å; F69-L190 HydrophobicContact CD2-CG 3.78Å; F69-L190 HydrophobicContact CE1-CB 4.1Å; F69-L190 HydrophobicContact CE1-CD1 4.48Å; F69-L190 HydrophobicContact CE1-CG 3.78Å; F69-L190 HydrophobicContact CE2-CD2 4.36Å; F69-L190 HydrophobicContact CE2-CG 3.97Å; F69-L190 HydrophobicContact CG-CD1 3.54Å; F69-L190 HydrophobicContact CG-CG 3.59Å; F69-L190 HydrophobicContact CZ-CG 3.95Å; F69-V193 HydrophobicContact CZ-CB 4.02Å; F69-V193 HydrophobicContact CZ-CG1 3.81Å; F69-I194 HydrophobicContact CE2-CG2 3.63Å; F69-I194 HydrophobicContact CZ-CG2 4.13Å
70	D	98.4	Very high	97.3	Very high	18 Å²	18	32.5 Å²	32.5	10%	0.096	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	123.9	-168.7	-82.3	-42.7	0	0	0	109.3	D68 T72 T74 T85 C86	D68-D70 PolarHBondContact OD2-N 3.45Å; D70-T72 PolarHBondContact O-N 3.13Å; D70-T74 WeakPolarHBondContact CA-OG1 3.31Å; D70-T85 HydrophobicContact CB-CG2 4.25Å; D70-T85 VanDerWaalsContact OD1-CA 3.27Å; D70-T85 WeakPolarHBondContact OD1-CA 3.1Å; D70-C86 PolarHBondContact OD1-N 2.9Å; D70-C86 PolarHBondContact OD1-SG 3.42Å; D70-C86 VanDerWaalsContact OD1-SG 3.37Å; D70-C86 WeakPolarHBondContact OD2-CB 3.25Å; D70-C86 PolarHBondContact OD2-N 3.06Å; D70-C86 PolarHBondContact OD2-SG 2.89Å
71	M	97.9	Very high	97.3	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.025	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.2	-3.7	-176.4	-35.3	-67	96.5	0	0	114.8	F69 T74 F76 R82 T85 R162 D257 N281	F69-M71 PolarHBondContact O-N 2.7Å; M71-T74 CarbonylContact C-O 3.56Å; M71-T74 WeakPolarHBondContact CA-O 3.47Å; M71-T74 PolarHBondContact N-OG1 3.39Å; M71-F76 HydrophobicContact CB-CD2 4.41Å; M71-F76 HydrophobicContact CG-CD2 4.36Å; M71-F76 HydrophobicContact SD-CB 4.36Å; M71-F76 HydrophobicContact SD-CD2 4.07Å; M71-F76 HydrophobicContact SD-CG 4.48Å; M71-R82 PolarHBondContact SD-NH2 3.42Å; M71-T85 HydrophobicContact CE-CG2 3.71Å; M71-T85 HydrophobicContact SD-CG2 4.32Å; M71-R162 PolarHBondContact O-NH2 2.84Å; M71-D257 HydrophobicContact CB-CB 4.42Å; M71-D257 WeakPolarHBondContact CB-OD2 3.32Å; M71-N281 PolarHBondContact O-ND2 2.92Å
72	T	98.8	Very high	97.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-56.6	170.7	-67.6	0	0	0	0	112.4	S67 D68 F69 D70 R162 M255 G256 D257 F279	S67-T72 WeakPolarHBondContact OG-CG2 3.49Å; D68-T72 HydrophobicContact CB-CG2 4.3Å; D68-T72 WeakPolarHBondContact O-CG2 3.37Å; F69-T72 PolarHBondContact O-N 2.73Å; D70-T72 PolarHBondContact O-N 3.13Å; T72-R162 WeakPolarHBondContact O-CD 3.22Å; T72-R162 PolarHBondContact O-NE 3.11Å; T72-M255 HydrophobicContact CG2-CB 3.95Å; T72-G256 WeakPolarHBondContact OG1-CA 3.43Å; T72-D257 WeakPolarHBondContact OG1-CB 3.32Å; T72-D257 PolarHBondContact OG1-N 3.37Å; T72-D257 PolarHBondContact OG1-OD1 3.39Å; T72-F279 HydrophobicContact CG2-CD2 3.98Å; T72-F279 HydrophobicContact CG2-CE2 3.99Å
73	L	98.9	Very high	97.3	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-31.6	172.7	-69.6	171.9	0	0	0	111.2	S67 D68 F69 R162 F168 F169 I181 M255 L305	S67-L73 WeakPolarHBondContact OG-CG 3.45Å; D68-L73 WeakPolarHBondContact O-CD1 3.28Å; D68-L73 WeakPolarHBondContact O-CG 3.47Å; F69-L73 HydrophobicContact CD2-CB 4Å; F69-L73 HydrophobicContact CD2-CD1 4.02Å; F69-L73 HydrophobicContact CE2-CB 4.39Å; F69-L73 PolarHBondContact O-N 3.28Å; L73-R162 PolarHBondContact O-N 3.42Å; L73-F168 HydrophobicContact CD2-CD1 4.38Å; L73-F168 HydrophobicContact CD2-CE1 3.92Å; L73-F168 HydrophobicContact CD2-CZ 4.44Å; L73-F169 HydrophobicContact CD1-CZ 4.15Å; L73-I181 HydrophobicContact CD1-CD1 4Å; L73-I181 HydrophobicContact CD1-CG1 4.13Å; L73-I181 HydrophobicContact CD1-CG2 4.37Å; L73-M255 HydrophobicContact CD2-CE 4.07Å; L73-L305 HydrophobicContact CD2-CD1 4.17Å; L73-L305 HydrophobicContact CD2-CD2 4.48Å
74	T	98.8	Very high	97.3	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.018	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-84.2	153	166.6	61.7	0	0	0	0	110.9	F69 D70 M71 M160 L161 R162	F69-T74 HydrophobicContact CD1-CG2 4.09Å; F69-T74 HydrophobicContact CE1-CG2 3.54Å; F69-T74 HydrophobicContact CE2-CG2 4.16Å; F69-T74 HydrophobicContact CZ-CG2 3.58Å; F69-T74 PolarHBondContact O-N 3.12Å; F69-T74 PolarHBondContact O-OG1 2.92Å; D70-T74 WeakPolarHBondContact CA-OG1 3.31Å; M71-T74 CarbonylContact C-O 3.56Å; M71-T74 WeakPolarHBondContact CA-O 3.47Å; M71-T74 PolarHBondContact N-OG1 3.39Å; T74-M160 CarbonylContact C-O 3.59Å; T74-M160 VanDerWaalsContact CA-O 3.24Å; T74-M160 WeakPolarHBondContact CA-O 3.35Å; T74-M160 WeakPolarHBondContact CB-O 3.44Å; T74-L161 HydrophobicContact CG2-CD2 3.95Å; T74-R162 PolarHBondContact O-NE 2.95Å
75	R	98.6	Very high	97.3	Very high	41 Å²	41	36.8 Å²	36.8	16%	0.155	19%	0.188	C	C	.	.			trans	-66.4	150.7	176.2	-68.9	-172.6	-171.8	-137.6	-0.7	110.7	C83 M160 L161 R162 E303	R75-C83 HydrophobicContact CB-CB 4.34Å; R75-C83 VanDerWaalsContact O-CB 3.29Å; R75-C83 WeakPolarHBondContact O-CB 3.33Å; R75-M160 HydrophobicContact CB-CB 4.27Å; R75-M160 HydrophobicContact CG-CB 4.09Å; R75-M160 PolarHBondContact N-O 3.5Å; R75-L161 PolarHBondContact NE-O 3.37Å; R75-L161 VanDerWaalsContact NE-O 3.13Å; R75-R162 HydrophobicContact CG-CG 4.18Å; R75-E303 WeakPolarHBondContact CA-OE2 3.49Å; R75-E303 WeakPolarHBondContact CB-OE2 3.27Å; R75-E303 HydrophobicContact CG-CB 4.46Å; R75-E303 WeakPolarHBondContact CG-OE2 3.37Å
76	F	97.6	Very high	97.2	Very high	21 Å²	21	36.8 Å²	36.8	9%	0.092	19%	0.188	C	C	.	.	S	Bend	trans	-82.6	-43.8	168.9	176.6	-86	0	0	0	110.8	M71 R82 C83 N281 D282 E303	M71-F76 HydrophobicContact CB-CD2 4.41Å; M71-F76 HydrophobicContact CG-CD2 4.36Å; M71-F76 HydrophobicContact SD-CB 4.36Å; M71-F76 HydrophobicContact SD-CD2 4.07Å; M71-F76 HydrophobicContact SD-CG 4.48Å; F76-R82 WeakPolarHBondContact O-CD 3.47Å; F76-R82 PolarHBondContact O-NE 3.28Å; F76-C83 PolarHBondContact O-N 2.82Å; F76-N281 HydrophobicContact CB-CB 3.79Å; F76-N281 HydrophobicContact CD1-CB 4.16Å; F76-N281 HydrophobicContact CD2-CB 3.17Å; F76-N281 HydrophobicContact CE2-CB 3.52Å; F76-N281 HydrophobicContact CG-CB 3.49Å; F76-N281 VanDerWaalsContact CG-CB 3.49Å; F76-N281 HydrophobicContact CZ-CB 4.23Å; F76-D282 HydrophobicContact CE2-CB 3.85Å; F76-D282 HydrophobicContact CZ-CB 3.65Å; F76-E303 WeakPolarHBondContact CB-OE1 3.35Å; F76-E303 PolarHBondContact N-OE1 3.14Å; F76-E303 PolarHBondContact N-OE2 3.29Å
77	Q	96.3	Very high	97.1	Very high	73 Å²	73	37.2 Å²	37.2	34%	0.341	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	158	177.7	61.5	175.8	4.7	0	0	113.2	K81 E303	Q77-K81 CarbonylContact C-O 3.05Å; Q77-K81 WeakPolarHBondContact CA-O 3.4Å; Q77-K81 VanDerWaalsContact CB-O 3.3Å; Q77-K81 WeakPolarHBondContact CB-O 3.1Å; Q77-E303 WeakPolarHBondContact CG-OE1 3.32Å; Q77-E303 PolarHBondContact N-OE1 3.03Å
78	Y	96.7	Very high	97	Very high	105 Å²	105	39.6 Å²	39.6	41%	0.412	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	127.9	171.7	-175.4	-110.3	0	0	0	109.9	G80 K81 M160	Y78-G80 PolarHBondContact O-N 3.13Å; Y78-G80 VanDerWaalsContact O-N 3.16Å; Y78-K81 PolarHBondContact N-O 2.66Å; Y78-K81 PolarHBondContact O-N 2.82Å; Y78-M160 HydrophobicContact CD1-CE 3.69Å; Y78-M160 HydrophobicContact CD1-SD 3.68Å; Y78-M160 HydrophobicContact CD2-CE 4.48Å; Y78-M160 HydrophobicContact CD2-SD 3.7Å; Y78-M160 HydrophobicContact CE1-CE 3.72Å; Y78-M160 HydrophobicContact CE1-SD 4.16Å; Y78-M160 HydrophobicContact CE2-SD 4.18Å; Y78-M160 HydrophobicContact CG-CE 4.09Å; Y78-M160 HydrophobicContact CG-SD 3.43Å
79	N	94.6	Very high	96.9	Very high	140 Å²	140	39.5 Å²	39.5	75%	0.749	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	39	-177.6	-65.1	-22.1	0	0	0	114.2	K81	N79-K81 VanDerWaalsContact C-N 3.26Å; N79-K81 PolarHBondContact O-N 2.77Å
80	G	91.6	Very high	96.8	Very high	71 Å²	71	39.4 Å²	39.4	73%	0.732	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.3	3.8	179.6	0	0	0	0	0	115.2	Y78	Y78-G80 PolarHBondContact O-N 3.13Å; Y78-G80 VanDerWaalsContact O-N 3.16Å
81	K	94.5	Very high	96.5	Very high	125 Å²	125	39.6 Å²	39.6	54%	0.543	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.6	172.5	-173.9	-174.4	174.8	-171.8	0	109.8	Q77 Y78 N79 C83 D158	Q77-K81 CarbonylContact C-O 3.05Å; Q77-K81 WeakPolarHBondContact CA-O 3.4Å; Q77-K81 VanDerWaalsContact CB-O 3.3Å; Q77-K81 WeakPolarHBondContact CB-O 3.1Å; Y78-K81 PolarHBondContact N-O 2.66Å; Y78-K81 PolarHBondContact O-N 2.82Å; N79-K81 VanDerWaalsContact C-N 3.26Å; N79-K81 PolarHBondContact O-N 2.77Å; K81-C83 PolarHBondContact O-N 3.34Å; K81-D158 IonicContact NZ-OD2 2.73Å; K81-D158 PolarHBondContact NZ-OD2 3.13Å
82	R	95.2	Very high	96.3	Very high	110 Å²	110	44.4 Å²	44.4	42%	0.415	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	130.9	173.1	-170.2	74.4	-170.6	-118.7	-2.4	110.5	M71 F76	M71-R82 PolarHBondContact SD-NH2 3.42Å; F76-R82 WeakPolarHBondContact O-CD 3.47Å; F76-R82 PolarHBondContact O-NE 3.28Å
83	C	97.4	Very high	96.1	Very high	6 Å²	6	45 Å²	45	4%	0.041	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-79.4	146.9	170.8	-74.9	0	0	0	0	110.3	R75 F76 K81	R75-C83 HydrophobicContact CB-CB 4.34Å; R75-C83 VanDerWaalsContact O-CB 3.29Å; R75-C83 WeakPolarHBondContact O-CB 3.33Å; F76-C83 PolarHBondContact O-N 2.82Å; K81-C83 PolarHBondContact O-N 3.34Å
84	P	97.2	Very high	95.9	Very high	15 Å²	15	52.9 Å²	52.9	10%	0.097	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-74.7	142.6	-177.1	31.5	-35.6	0	0	0	112	N88 I89 D158 A159	P84-N88 HydrophobicContact CB-CB 3.68Å; P84-I89 HydrophobicContact CB-CG1 3.99Å; P84-I89 HydrophobicContact CG-CG1 3.9Å; P84-D158 WeakPolarHBondContact CD-O 3.4Å; P84-A159 HydrophobicContact CG-CB 4.07Å
85	T	97.3	Very high	95.7	Very high	29 Å²	29	53.5 Å²	53.5	18%	0.178	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-71.9	172.4	160.9	64.6	0	0	0	0	111	D70 M71 H87 N88 I89	D70-T85 HydrophobicContact CB-CG2 4.25Å; D70-T85 VanDerWaalsContact OD1-CA 3.27Å; D70-T85 WeakPolarHBondContact OD1-CA 3.1Å; M71-T85 HydrophobicContact CE-CG2 3.71Å; M71-T85 HydrophobicContact SD-CG2 4.32Å; T85-H87 VanDerWaalsContact C-N 3.28Å; T85-H87 PolarHBondContact O-N 3.29Å; T85-N88 PolarHBondContact O-N 3.16Å; T85-N88 VanDerWaalsContact OG1-CG 3.26Å; T85-N88 PolarHBondContact OG1-N 2.91Å; T85-N88 VanDerWaalsContact OG1-N 3.16Å; T85-N88 PolarHBondContact OG1-OD1 3.01Å; T85-I89 WeakPolarHBondContact O-CG1 3.34Å; T85-I89 PolarHBondContact O-N 3.24Å
86	C	97.9	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-53.8	-42.9	173.2	-68.4	0	0	0	0	113.1	F69 D70 I186 I189	F69-C86 WeakPolarHBondContact CD1-SG 3.46Å; F69-C86 VanDerWaalsContact CE1-SG 3.52Å; D70-C86 PolarHBondContact OD1-N 2.9Å; D70-C86 PolarHBondContact OD1-SG 3.42Å; D70-C86 VanDerWaalsContact OD1-SG 3.37Å; D70-C86 WeakPolarHBondContact OD2-CB 3.25Å; D70-C86 PolarHBondContact OD2-N 3.06Å; D70-C86 PolarHBondContact OD2-SG 2.89Å; C86-I186 HydrophobicContact CB-CB 4.27Å; C86-I189 HydrophobicContact CB-CB 4.26Å; C86-I189 HydrophobicContact CB-CG2 3.93Å
87	H	95.9	Very high	95.5	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.037	28%	0.28	C	S	.	.	H	α-helix	trans	-64.4	-45.6	173.5	-70.3	83.5	0	0	0	111.4	T85 I89 L90 D91 W133 H137 I186	T85-H87 VanDerWaalsContact C-N 3.28Å; T85-H87 PolarHBondContact O-N 3.29Å; H87-I89 VanDerWaalsContact C-N 3.29Å; H87-I89 PolarHBondContact O-N 3.38Å; H87-L90 CarbonylContact O-C 3.5Å; H87-L90 WeakPolarHBondContact O-CA 3.31Å; H87-L90 WeakPolarHBondContact O-CB 3.4Å; H87-L90 PolarHBondContact O-N 2.73Å; H87-D91 PolarHBondContact O-N 2.98Å; H87-W133 HydrophobicContact CB-CZ3 4.49Å; H87-W133 AromaticContact CD2-CE3 4Å; H87-W133 AromaticContact CD2-CZ3 3.31Å; H87-W133 WeakPolarHBondContact CD2-CZ3 3.31Å; H87-W133 AromaticContact CE1-CH2 3.83Å; H87-W133 AromaticContact CE1-CZ3 3.52Å; H87-W133 AromaticContact CG-CZ3 3.7Å; H87-W133 AromaticContact ND1-CH2 3.92Å; H87-W133 AromaticContact ND1-CZ3 3.86Å; H87-W133 AromaticContact NE2-CE3 3.49Å; H87-W133 AromaticContact NE2-CH2 3.95Å; H87-W133 AromaticContact NE2-CZ3 3.17Å; H87-W133 WeakPolarHBondContact NE2-CZ3 3.3Å; H87-H137 AromaticContact NE2-NE2 3.41Å; H87-H137 PolarHBondContact NE2-NE2 3.23Å; H87-I186 HydrophobicContact CB-CD1 4.5Å
88	N	95.5	Very high	95.4	Very high	51 Å²	51	55.8 Å²	55.8	27%	0.273	29%	0.291	S	S	.	.	H	α-helix	trans	-66.5	-27.8	-178.9	-62.4	155	0	0	0	113.8	P84 T85 L90 D91 N92	P84-N88 HydrophobicContact CB-CB 3.68Å; T85-N88 PolarHBondContact O-N 3.16Å; T85-N88 VanDerWaalsContact OG1-CG 3.26Å; T85-N88 PolarHBondContact OG1-N 2.91Å; T85-N88 VanDerWaalsContact OG1-N 3.16Å; T85-N88 PolarHBondContact OG1-OD1 3.01Å; N88-L90 PolarHBondContact O-N 3.45Å; N88-D91 PolarHBondContact ND2-OD2 3.12Å; N88-N92 VanDerWaalsContact O-CB 3.27Å; N88-N92 WeakPolarHBondContact O-CB 3.17Å; N88-N92 VanDerWaalsContact O-CG 3.29Å; N88-N92 PolarHBondContact O-N 3.38Å; N88-N92 VanDerWaalsContact O-N 3.12Å; N88-N92 PolarHBondContact O-ND2 2.92Å
89	I	97.6	Very high	95.4	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.031	30%	0.3	C	S	.	.	H	α-helix	trans	-57.4	-45.5	170.3	-70.1	168.7	0	0	0	109.3	P84 T85 H87 S93 A153 V154 A159 I189 V193	P84-I89 HydrophobicContact CB-CG1 3.99Å; P84-I89 HydrophobicContact CG-CG1 3.9Å; T85-I89 WeakPolarHBondContact O-CG1 3.34Å; T85-I89 PolarHBondContact O-N 3.24Å; H87-I89 VanDerWaalsContact C-N 3.29Å; H87-I89 PolarHBondContact O-N 3.38Å; I89-S93 WeakPolarHBondContact O-CB 3.48Å; I89-S93 PolarHBondContact O-N 3.45Å; I89-A153 HydrophobicContact CG2-CB 4.27Å; I89-V154 HydrophobicContact CG2-CG2 4.05Å; I89-A159 HydrophobicContact CD1-CB 3.55Å; I89-A159 HydrophobicContact CG1-CB 4.02Å; I89-I189 HydrophobicContact CB-CG2 4.07Å; I89-I189 HydrophobicContact CD1-CG2 3.74Å; I89-I189 HydrophobicContact CG2-CD1 4.33Å; I89-I189 HydrophobicContact CG2-CG2 4.04Å; I89-V193 HydrophobicContact CD1-CG2 3.79Å
90	L	95.4	Very high	95.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-74.1	-48.4	-179.8	-169.1	64.4	0	0	0	112	H87 N88 N92 S93 I96 L140 I145 L150 I186 M211	H87-L90 CarbonylContact O-C 3.5Å; H87-L90 WeakPolarHBondContact O-CA 3.31Å; H87-L90 WeakPolarHBondContact O-CB 3.4Å; H87-L90 PolarHBondContact O-N 2.73Å; N88-L90 PolarHBondContact O-N 3.45Å; L90-N92 PolarHBondContact O-N 2.88Å; L90-S93 WeakPolarHBondContact O-CB 3.17Å; L90-S93 PolarHBondContact O-N 3.4Å; L90-S93 PolarHBondContact O-OG 3.34Å; L90-I96 HydrophobicContact CG-CD1 4.29Å; L90-I96 HydrophobicContact CG-CG1 4.42Å; L90-I96 WeakPolarHBondContact O-CG1 3.46Å; L90-L140 HydrophobicContact CD2-CD1 3.92Å; L90-L140 HydrophobicContact CD2-CD2 3.92Å; L90-L140 HydrophobicContact CD2-CG 4.46Å; L90-L140 HydrophobicContact CG-CD2 4.4Å; L90-I145 HydrophobicContact CD1-CD1 4.25Å; L90-I145 HydrophobicContact CD1-CG2 4.39Å; L90-I145 HydrophobicContact CD2-CD1 3.97Å; L90-I145 HydrophobicContact CG-CD1 4.3Å; L90-L150 HydrophobicContact CD1-CD2 3.92Å; L90-I186 HydrophobicContact CB-CD1 4.43Å; L90-I186 HydrophobicContact CD2-CD1 3.76Å; L90-M211 HydrophobicContact CD2-CE 3.41Å; L90-M211 VanDerWaalsContact CD2-CE 3.41Å
91	D	93.3	Very high	95.7	Very high	22 Å²	22	50.2 Å²	50.2	12%	0.118	24%	0.243	C	C	.	.	H	α-helix	trans	-55	-38.8	-178.8	-57.7	-23.3	0	0	0	112.4	H87 N88 R101 L104	H87-D91 PolarHBondContact O-N 2.98Å; N88-D91 PolarHBondContact ND2-OD2 3.12Å; D91-R101 PolarHBondContact O-NE 3.17Å; D91-R101 PolarHBondContact O-NH2 3.29Å; D91-L104 HydrophobicContact CB-CD1 4.48Å
92	N	93.1	Very high	95.8	Very high	105 Å²	105	48.8 Å²	48.8	56%	0.561	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-5.5	-179.5	-64.1	-45.2	0	0	0	113.3	N88 L90 R101	N88-N92 VanDerWaalsContact O-CB 3.27Å; N88-N92 WeakPolarHBondContact O-CB 3.17Å; N88-N92 VanDerWaalsContact O-CG 3.29Å; N88-N92 PolarHBondContact O-N 3.38Å; N88-N92 VanDerWaalsContact O-N 3.12Å; N88-N92 PolarHBondContact O-ND2 2.92Å; L90-N92 PolarHBondContact O-N 2.88Å; N92-R101 PolarHBondContact O-NH2 2.73Å
93	S	95.6	Very high	95.9	Very high	12 Å²	12	47.2 Å²	47.2	8%	0.084	23%	0.234	C	C	.	.	S	Bend	trans	-73.6	168	179.8	80	0	0	0	0	112.2	I89 L90 A95 I96 R101	I89-S93 WeakPolarHBondContact O-CB 3.48Å; I89-S93 PolarHBondContact O-N 3.45Å; L90-S93 WeakPolarHBondContact O-CB 3.17Å; L90-S93 PolarHBondContact O-N 3.4Å; L90-S93 PolarHBondContact O-OG 3.34Å; S93-A95 PolarHBondContact O-N 3.4Å; S93-A95 WeakPolarHBondContact OG-CB 3.28Å; S93-A95 PolarHBondContact OG-N 3.37Å; S93-I96 PolarHBondContact O-N 3.32Å; S93-R101 PolarHBondContact O-NH2 3.46Å; S93-R101 VanDerWaalsContact O-NH2 3.12Å
94	K	94.3	Very high	95.8	Very high	167 Å²	167	47.7 Å²	47.7	73%	0.726	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.2	173.4	-64.1	170.9	-174.2	144.6	0	113.3	I96 E156	K94-I96 PolarHBondContact O-N 3.45Å; K94-E156 WeakPolarHBondContact CE-OE2 3.37Å; K94-E156 IonicContact NZ-OE1 3.49Å; K94-E156 PolarHBondContact NZ-OE1 3.33Å; K94-E156 IonicContact NZ-OE2 3.92Å; K94-E156 PolarHBondContact NZ-OE2 3.13Å
95	A	93.6	Very high	95.6	Very high	17 Å²	17	50.1 Å²	50.1	14%	0.14	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-16.1	177.4	0	0	0	0	0	112.3	S93 I145 E149	S93-A95 PolarHBondContact O-N 3.4Å; S93-A95 WeakPolarHBondContact OG-CB 3.28Å; S93-A95 PolarHBondContact OG-N 3.37Å; A95-I145 HydrophobicContact CB-CG1 4.44Å; A95-I145 HydrophobicContact CB-CG2 4.3Å; A95-E149 HydrophobicContact CB-CB 4.33Å
96	I	95.9	Very high	95.6	Very high	8 Å²	8	52.4 Å²	52.4	4%	0.041	26%	0.259	C	S	.	.	S	Bend	trans	-107.3	127.5	-177.7	-53.5	-58.5	0	0	0	109.6	L90 S93 K94 C100 R101 L104 L140 Q143 I145	L90-I96 HydrophobicContact CG-CD1 4.29Å; L90-I96 HydrophobicContact CG-CG1 4.42Å; L90-I96 WeakPolarHBondContact O-CG1 3.46Å; S93-I96 PolarHBondContact O-N 3.32Å; K94-I96 PolarHBondContact O-N 3.45Å; I96-C100 HydrophobicContact CG2-CB 3.81Å; I96-R101 HydrophobicContact CG2-CB 4.39Å; I96-L104 HydrophobicContact CG2-CD1 4.27Å; I96-L140 HydrophobicContact CD1-CD2 3.65Å; I96-Q143 HydrophobicContact CD1-CB 4.13Å; I96-Q143 HydrophobicContact CD1-CG 3.76Å; I96-I145 HydrophobicContact CD1-CD1 3.59Å; I96-I145 HydrophobicContact CD1-CG1 4.15Å
97	S	96.4	Very high	95.5	Very high	51 Å²	51	53.5 Å²	53.5	36%	0.357	27%	0.265	S	S	.	.			trans	-67.2	153.4	174.3	65.2	0	0	0	0	111.8	E99 C100 R101 Q143	S97-E99 PolarHBondContact O-N 3.06Å; S97-C100 PolarHBondContact O-N 3.48Å; S97-C100 VanDerWaalsContact O-N 3.14Å; S97-C100 WeakPolarHBondContact OG-CB 3.45Å; S97-C100 PolarHBondContact OG-N 3.03Å; S97-R101 PolarHBondContact O-N 3.19Å; S97-Q143 VanDerWaalsContact CB-OE1 3.3Å; S97-Q143 PolarHBondContact OG-OE1 2.9Å
98	E	95.3	Very high	95.4	Very high	124 Å²	124	56.1 Å²	56.1	58%	0.579	28%	0.279	S	S	*	.	H	α-helix	trans	-60.9	-35.1	178.2	-169.1	60.3	-156.5	0	0	112.2	R101 Q102	E98-R101 PolarHBondContact O-N 2.89Å; E98-R101 IonicContact OE2-CZ 3.63Å; E98-R101 IonicContact OE2-NH1 3.42Å; E98-R101 PolarHBondContact OE2-NH1 2.83Å; E98-Q102 PolarHBondContact O-N 3.37Å
99	E	96.6	Very high	95.3	Very high	128 Å²	128	59.7 Å²	59.7	60%	0.598	29%	0.294	S	S	*	.	H	α-helix	trans	-62.9	-46	174.7	-172.3	-168	147.8	0	0	111.5	S97 R101 Q102 K103	S97-E99 PolarHBondContact O-N 3.06Å; E99-R101 VanDerWaalsContact C-N 3.34Å; E99-Q102 PolarHBondContact O-N 3.13Å; E99-K103 PolarHBondContact O-N 3.31Å; E99-K103 VanDerWaalsContact O-N 3.14Å; E99-K103 VanDerWaalsContact OE1-CE 3.25Å; E99-K103 WeakPolarHBondContact OE1-CE 3.39Å; E99-K103 IonicContact OE1-NZ 2.66Å; E99-K103 PolarHBondContact OE1-NZ 3.41Å
100	C	96.7	Very high	95.2	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.02	32%	0.317	C	S	.	.	H	α-helix	trans	-64.5	-40.9	177.3	-174.8	0	0	0	0	111.5	I96 S97 Q102 K103 L104 Q143	I96-C100 HydrophobicContact CG2-CB 3.81Å; S97-C100 PolarHBondContact O-N 3.48Å; S97-C100 VanDerWaalsContact O-N 3.14Å; S97-C100 WeakPolarHBondContact OG-CB 3.45Å; S97-C100 PolarHBondContact OG-N 3.03Å; C100-Q102 VanDerWaalsContact C-N 3.29Å; C100-Q102 PolarHBondContact O-N 3.16Å; C100-K103 PolarHBondContact O-N 3.31Å; C100-K103 VanDerWaalsContact O-N 3.13Å; C100-L104 WeakPolarHBondContact O-CG 3.48Å; C100-L104 PolarHBondContact O-N 2.9Å; C100-Q143 HydrophobicContact CB-CG 4.14Å; C100-Q143 VanDerWaalsContact SG-CD 3.58Å
101	R	95.6	Very high	95.2	Very high	68 Å²	68	64 Å²	64	26%	0.257	32%	0.319	S	S	.	.	H	α-helix	trans	-58.2	-42.1	175.9	-172.5	179.8	-64.4	154.3	-2.9	111.8	D91 N92 S93 I96 S97 E98 E99 L104 N105	D91-R101 PolarHBondContact O-NE 3.17Å; D91-R101 PolarHBondContact O-NH2 3.29Å; N92-R101 PolarHBondContact O-NH2 2.73Å; S93-R101 PolarHBondContact O-NH2 3.46Å; S93-R101 VanDerWaalsContact O-NH2 3.12Å; I96-R101 HydrophobicContact CG2-CB 4.39Å; S97-R101 PolarHBondContact O-N 3.19Å; E98-R101 PolarHBondContact O-N 2.89Å; E98-R101 IonicContact OE2-CZ 3.63Å; E98-R101 IonicContact OE2-NH1 3.42Å; E98-R101 PolarHBondContact OE2-NH1 2.83Å; E99-R101 VanDerWaalsContact C-N 3.34Å; R101-L104 PolarHBondContact O-N 3.46Å; R101-N105 WeakPolarHBondContact O-CB 3.46Å; R101-N105 PolarHBondContact O-N 2.89Å
102	Q	95.9	Very high	95.1	Very high	94 Å²	94	66.6 Å²	66.6	44%	0.439	33%	0.328	S	S	.	.	H	α-helix	trans	-62.5	-44.6	175	-173.7	61	57.5	0	0	111.7	E98 E99 C100 L104 N105 D106	E98-Q102 PolarHBondContact O-N 3.37Å; E99-Q102 PolarHBondContact O-N 3.13Å; C100-Q102 VanDerWaalsContact C-N 3.29Å; C100-Q102 PolarHBondContact O-N 3.16Å; Q102-L104 PolarHBondContact O-N 2.95Å; Q102-N105 PolarHBondContact O-N 2.79Å; Q102-D106 PolarHBondContact NE2-OD1 2.85Å; Q102-D106 PolarHBondContact O-N 3.48Å
103	K	97.3	Very high	95	Very high	78 Å²	78	64.8 Å²	64.8	34%	0.339	32%	0.322	S	S	.	.	H	α-helix	trans	-61.4	-42.8	177.1	-67.4	174.7	-173	166.7	0	112.3	E99 C100 N105 D106 L107 L139	E99-K103 PolarHBondContact O-N 3.31Å; E99-K103 VanDerWaalsContact O-N 3.14Å; E99-K103 VanDerWaalsContact OE1-CE 3.25Å; E99-K103 WeakPolarHBondContact OE1-CE 3.39Å; E99-K103 IonicContact OE1-NZ 2.66Å; E99-K103 PolarHBondContact OE1-NZ 3.41Å; C100-K103 PolarHBondContact O-N 3.31Å; C100-K103 VanDerWaalsContact O-N 3.13Å; K103-N105 VanDerWaalsContact C-N 3.34Å; K103-D106 PolarHBondContact O-N 3.33Å; K103-L107 WeakPolarHBondContact O-CG 3.49Å; K103-L107 PolarHBondContact O-N 2.85Å; K103-L139 HydrophobicContact CB-CD1 3.74Å; K103-L139 HydrophobicContact CB-CD2 4.27Å; K103-L139 HydrophobicContact CD-CD2 3.73Å
104	L	95.5	Very high	94.8	Very high	16 Å²	16	66.1 Å²	66.1	8%	0.084	33%	0.328	C	S	.	.	H	α-helix	trans	-62.7	-41.4	175.9	-70.7	165.4	0	0	0	111.3	D91 I96 C100 R101 Q102 L107 L108 A136 L139 L140	D91-L104 HydrophobicContact CB-CD1 4.48Å; I96-L104 HydrophobicContact CG2-CD1 4.27Å; C100-L104 WeakPolarHBondContact O-CG 3.48Å; C100-L104 PolarHBondContact O-N 2.9Å; R101-L104 PolarHBondContact O-N 3.46Å; Q102-L104 PolarHBondContact O-N 2.95Å; L104-L107 WeakPolarHBondContact O-CB 3.41Å; L104-L107 PolarHBondContact O-N 3.13Å; L104-L108 PolarHBondContact O-N 3.38Å; L104-A136 HydrophobicContact CD2-CB 3.98Å; L104-L139 HydrophobicContact CD2-CB 4.2Å; L104-L139 HydrophobicContact CD2-CD1 3.98Å; L104-L139 HydrophobicContact CG-CD1 4.21Å; L104-L140 HydrophobicContact CD1-CD2 4.1Å
105	N	93.8	Very high	94.5	Very high	65 Å²	65	59.8 Å²	59.8	35%	0.348	30%	0.301	S	S	.	.	H	α-helix	trans	-64.3	-39.8	174	178.4	73.1	0	0	0	112.1	R101 Q102 K103 L107 L108 Q109	R101-N105 WeakPolarHBondContact O-CB 3.46Å; R101-N105 PolarHBondContact O-N 2.89Å; Q102-N105 PolarHBondContact O-N 2.79Å; K103-N105 VanDerWaalsContact C-N 3.34Å; N105-L107 VanDerWaalsContact C-N 3.32Å; N105-L107 PolarHBondContact O-N 3.14Å; N105-L108 WeakPolarHBondContact O-CB 3.39Å; N105-L108 PolarHBondContact O-N 2.88Å; N105-Q109 WeakPolarHBondContact O-CG 3.4Å; N105-Q109 PolarHBondContact O-N 3.22Å
106	D	96.6	Very high	94	Very high	78 Å²	78	61.4 Å²	61.4	42%	0.417	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-38.1	176.8	-64.2	-14.6	0	0	0	111.7	Q102 K103 T110	Q102-D106 PolarHBondContact NE2-OD1 2.85Å; Q102-D106 PolarHBondContact O-N 3.48Å; K103-D106 PolarHBondContact O-N 3.33Å; D106-T110 WeakPolarHBondContact O-CB 3.39Å; D106-T110 PolarHBondContact O-N 2.82Å; D106-T110 VanDerWaalsContact O-N 3.15Å; D106-T110 PolarHBondContact O-OG1 2.96Å
107	L	96.6	Very high	93.3	Very high	23 Å²	23	63.8 Å²	63.8	12%	0.12	32%	0.32	C	S	.	.	H	α-helix	trans	-61.3	-48.6	170.4	-67.4	176.6	0	0	0	111.1	K103 L104 N105 Q109 T110 Y111 K135 A136 L139	K103-L107 WeakPolarHBondContact O-CG 3.49Å; K103-L107 PolarHBondContact O-N 2.85Å; L104-L107 WeakPolarHBondContact O-CB 3.41Å; L104-L107 PolarHBondContact O-N 3.13Å; N105-L107 VanDerWaalsContact C-N 3.32Å; N105-L107 PolarHBondContact O-N 3.14Å; L107-Q109 PolarHBondContact O-N 3.15Å; L107-T110 WeakPolarHBondContact O-CB 3.48Å; L107-T110 PolarHBondContact O-N 2.82Å; L107-Y111 HydrophobicContact CB-CD2 4.42Å; L107-Y111 HydrophobicContact CD2-CD2 4.33Å; L107-Y111 HydrophobicContact CD2-CE2 3.85Å; L107-Y111 VanDerWaalsContact O-CD2 3.31Å; L107-Y111 WeakPolarHBondContact O-CD2 3.44Å; L107-Y111 PolarHBondContact O-N 2.83Å; L107-K135 HydrophobicContact CD1-CB 3.81Å; L107-K135 HydrophobicContact CD2-CB 4.07Å; L107-K135 HydrophobicContact CD2-CD 3.82Å; L107-A136 HydrophobicContact CD1-CB 4.2Å; L107-L139 HydrophobicContact CD1-CD1 3.71Å
108	L	92.8	Very high	92.5	Very high	62 Å²	62	67.1 Å²	67.1	33%	0.325	34%	0.338	S	S	.	.	H	α-helix	trans	-55.8	-48.5	177.8	179.1	71.2	0	0	0	111.6	L104 N105 T110 Y111 Y112 W132	L104-L108 PolarHBondContact O-N 3.38Å; N105-L108 WeakPolarHBondContact O-CB 3.39Å; N105-L108 PolarHBondContact O-N 2.88Å; L108-T110 PolarHBondContact O-N 3.12Å; L108-Y111 PolarHBondContact O-N 2.96Å; L108-Y112 HydrophobicContact CD1-CG 4.33Å; L108-Y112 WeakPolarHBondContact O-CB 3.45Å; L108-Y112 PolarHBondContact O-N 3.29Å; L108-W132 HydrophobicContact CB-CZ2 4.39Å; L108-W132 HydrophobicContact CD1-CH2 3.89Å; L108-W132 HydrophobicContact CD1-CZ2 3.63Å
109	Q	94.2	Very high	92.1	Very high	126 Å²	126	66.2 Å²	66.2	59%	0.589	35%	0.345	S	S	*	.	H	α-helix	trans	-62.6	-28	178.8	-66.1	-54.1	-43.9	0	0	112.9	N105 L107 P113	N105-Q109 WeakPolarHBondContact O-CG 3.4Å; N105-Q109 PolarHBondContact O-N 3.22Å; L107-Q109 PolarHBondContact O-N 3.15Å; Q109-P113 WeakPolarHBondContact O-CD 3.25Å; Q109-P113 WeakPolarHBondContact O-CG 3.38Å
110	T	95.7	Very high	91.6	Very high	83 Å²	83	62.8 Å²	62.8	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-80.1	-49	178.8	-57.8	0	0	0	0	111.8	D106 L107 L108	D106-T110 WeakPolarHBondContact O-CB 3.39Å; D106-T110 PolarHBondContact O-N 2.82Å; D106-T110 VanDerWaalsContact O-N 3.15Å; D106-T110 PolarHBondContact O-OG1 2.96Å; L107-T110 WeakPolarHBondContact O-CB 3.48Å; L107-T110 PolarHBondContact O-N 2.82Å; L108-T110 PolarHBondContact O-N 3.12Å
111	Y	94.9	Very high	91.2	Very high	13 Å²	13	64.7 Å²	64.7	5%	0.051	34%	0.344	C	S	.	.	H	α-helix	trans	-96.6	-31.2	-166.7	-71.2	-79.4	0	0	0	114.3	L107 L108 I114 E115 L128 M129 E131 W132 K135	L107-Y111 HydrophobicContact CB-CD2 4.42Å; L107-Y111 HydrophobicContact CD2-CD2 4.33Å; L107-Y111 HydrophobicContact CD2-CE2 3.85Å; L107-Y111 VanDerWaalsContact O-CD2 3.31Å; L107-Y111 WeakPolarHBondContact O-CD2 3.44Å; L107-Y111 PolarHBondContact O-N 2.83Å; L108-Y111 PolarHBondContact O-N 2.96Å; Y111-I114 HydrophobicContact CD1-CD1 4.41Å; Y111-I114 WeakPolarHBondContact O-CA 3.39Å; Y111-I114 VanDerWaalsContact O-CB 3.31Å; Y111-I114 WeakPolarHBondContact O-CB 3.24Å; Y111-I114 PolarHBondContact O-N 3.17Å; Y111-E115 PolarHBondContact O-N 3.45Å; Y111-L128 HydrophobicContact CD1-CB 4.4Å; Y111-L128 WeakPolarHBondContact CD1-O 3.33Å; Y111-L128 HydrophobicContact CE1-CB 4.39Å; Y111-L128 WeakPolarHBondContact CE1-O 3.47Å; Y111-M129 HydrophobicContact CD1-CE 4.37Å; Y111-E131 HydrophobicContact CE1-CB 4.43Å; Y111-E131 WeakPolarHBondContact OH-CG 3.08Å; Y111-E131 PolarHBondContact OH-OE1 3.37Å; Y111-E131 PolarHBondContact OH-OE2 3.35Å; Y111-W132 VanDerWaalsContact CB-CE3 3.43Å; Y111-W132 VanDerWaalsContact CB-CG 3.49Å; Y111-W132 HydrophobicContact CD1-CB 3.73Å; Y111-W132 HydrophobicContact CD1-CG 4.32Å; Y111-W132 HydrophobicContact CD2-CB 3.61Å; Y111-W132 AromaticContact CD2-CD1 3.62Å; Y111-W132 HydrophobicContact CD2-CD2 4.25Å; Y111-W132 AromaticContact CD2-CG 3.53Å; Y111-W132 HydrophobicContact CD2-CG 3.53Å; Y111-W132 HydrophobicContact CE1-CB 4.14Å; Y111-W132 HydrophobicContact CE2-CB 4.05Å; Y111-W132 HydrophobicContact CE2-CG 4.33Å; Y111-W132 HydrophobicContact CG-CB 3.45Å; Y111-W132 VanDerWaalsContact CG-CB 3.45Å; Y111-W132 AromaticContact CG-CD2 3.97Å; Y111-W132 HydrophobicContact CG-CD2 3.97Å; Y111-W132 HydrophobicContact CG-CE3 4.37Å; Y111-W132 AromaticContact CG-CG 3.54Å; Y111-W132 HydrophobicContact CG-CG 3.54Å; Y111-K135 PolarHBondContact OH-NZ 2.89Å
112	Y	90.7	Very high	90.8	Very high	77 Å²	77	64.7 Å²	64.7	30%	0.302	35%	0.352	S	S	.	.	H	α-helix	trans	-60.3	-41.4	179.8	-177.7	-113.7	0	0	0	113.4	L108 I114 E115 I116	L108-Y112 HydrophobicContact CD1-CG 4.33Å; L108-Y112 WeakPolarHBondContact O-CB 3.45Å; L108-Y112 PolarHBondContact O-N 3.29Å; Y112-I114 PolarHBondContact O-N 3.43Å; Y112-E115 WeakPolarHBondContact CD2-OE2 3.48Å; Y112-E115 WeakPolarHBondContact O-CB 3.41Å; Y112-E115 PolarHBondContact O-N 3.28Å; Y112-I116 HydrophobicContact CD1-CD1 3.8Å; Y112-I116 HydrophobicContact CD2-CG2 4.08Å; Y112-I116 HydrophobicContact CE1-CD1 3.57Å; Y112-I116 HydrophobicContact CE1-CG2 4.35Å; Y112-I116 HydrophobicContact CE2-CG2 3.58Å; Y112-I116 HydrophobicContact CG-CD1 4.41Å; Y112-I116 WeakPolarHBondContact O-CD1 3.36Å; Y112-I116 VanDerWaalsContact O-CG1 3.3Å; Y112-I116 WeakPolarHBondContact O-CG1 3.45Å; Y112-I116 PolarHBondContact O-N 3.34Å; Y112-I116 VanDerWaalsContact O-N 3.11Å
113	P	90.8	Very high	90.4	Very high	67 Å²	67	67 Å²	67	44%	0.435	36%	0.362	S	S	.	.	H	α-helix	trans	-59.6	-29.2	173.9	-25.1	36	0	0	0	113.7	Q109 N117	Q109-P113 WeakPolarHBondContact O-CD 3.25Å; Q109-P113 WeakPolarHBondContact O-CG 3.38Å; P113-N117 WeakPolarHBondContact O-CB 3.47Å; P113-N117 PolarHBondContact O-N 2.78Å
114	I	92.3	Very high	90.2	Very high	40 Å²	40	68.5 Å²	68.5	21%	0.205	37%	0.37	C	S	.	.	H	α-helix	trans	-76	-46.2	177.2	-56.7	174.6	0	0	0	110	Y111 Y112 I116 N117 L120 K125 L128	Y111-I114 HydrophobicContact CD1-CD1 4.41Å; Y111-I114 WeakPolarHBondContact O-CA 3.39Å; Y111-I114 VanDerWaalsContact O-CB 3.31Å; Y111-I114 WeakPolarHBondContact O-CB 3.24Å; Y111-I114 PolarHBondContact O-N 3.17Å; Y112-I114 PolarHBondContact O-N 3.43Å; I114-I116 VanDerWaalsContact C-N 3.29Å; I114-I116 PolarHBondContact O-N 3.47Å; I114-N117 WeakPolarHBondContact O-CB 3.43Å; I114-N117 PolarHBondContact O-N 3.15Å; I114-N117 VanDerWaalsContact O-N 3.14Å; I114-L120 HydrophobicContact CG2-CD1 3.8Å; I114-K125 HydrophobicContact CG2-CG 4.5Å; I114-K125 WeakPolarHBondContact O-CE 3.31Å; I114-L128 HydrophobicContact CD1-CD1 4.33Å; I114-L128 HydrophobicContact CG2-CD1 3.64Å
115	E	87.4	Confident	90	Very high	35 Å²	35	68.4 Å²	68.4	16%	0.164	37%	0.369	C	S	.	.	H	α-helix	trans	-50.8	-52.2	176.8	-174.3	-172.8	171.6	0	0	110.1	Y111 Y112 N117 K125 M129 W132 V229 Y230	Y111-E115 PolarHBondContact O-N 3.45Å; Y112-E115 WeakPolarHBondContact CD2-OE2 3.48Å; Y112-E115 WeakPolarHBondContact O-CB 3.41Å; Y112-E115 PolarHBondContact O-N 3.28Å; E115-N117 VanDerWaalsContact C-N 3.29Å; E115-N117 PolarHBondContact O-N 3.02Å; E115-K125 PolarHBondContact O-NZ 3.15Å; E115-M129 HydrophobicContact CB-CE 4.1Å; E115-M129 HydrophobicContact CB-SD 3.74Å; E115-M129 HydrophobicContact CG-SD 3.82Å; E115-W132 VanDerWaalsContact OE2-CZ3 3.26Å; E115-W132 WeakPolarHBondContact OE2-CZ3 3.27Å; E115-V229 HydrophobicContact CG-CG1 4.08Å; E115-Y230 HydrophobicContact CG-CE2 4.23Å; E115-Y230 PolarHBondContact O-OH 2.7Å
116	I	82.8	Confident	89.9	Confident	50 Å²	50	68.3 Å²	68.3	26%	0.256	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	4.6	-174.8	70.4	-161.5	0	0	0	114.3	Y112 I114 T118	Y112-I116 HydrophobicContact CD1-CD1 3.8Å; Y112-I116 HydrophobicContact CD2-CG2 4.08Å; Y112-I116 HydrophobicContact CE1-CD1 3.57Å; Y112-I116 HydrophobicContact CE1-CG2 4.35Å; Y112-I116 HydrophobicContact CE2-CG2 3.58Å; Y112-I116 HydrophobicContact CG-CD1 4.41Å; Y112-I116 WeakPolarHBondContact O-CD1 3.36Å; Y112-I116 VanDerWaalsContact O-CG1 3.3Å; Y112-I116 WeakPolarHBondContact O-CG1 3.45Å; Y112-I116 PolarHBondContact O-N 3.34Å; Y112-I116 VanDerWaalsContact O-N 3.11Å; I114-I116 VanDerWaalsContact C-N 3.29Å; I114-I116 PolarHBondContact O-N 3.47Å; I116-T118 PolarHBondContact O-N 3.39Å
117	N	82.5	Confident	89.8	Confident	59 Å²	59	68.2 Å²	68.2	32%	0.316	37%	0.372	S	S	.	.			trans	-76.9	109	-176.1	-172	-21.2	0	0	0	111.4	P113 I114 E115 S119 L120 K125	P113-N117 WeakPolarHBondContact O-CB 3.47Å; P113-N117 PolarHBondContact O-N 2.78Å; I114-N117 WeakPolarHBondContact O-CB 3.43Å; I114-N117 PolarHBondContact O-N 3.15Å; I114-N117 VanDerWaalsContact O-N 3.14Å; E115-N117 VanDerWaalsContact C-N 3.29Å; E115-N117 PolarHBondContact O-N 3.02Å; N117-S119 PolarHBondContact O-N 3.41Å; N117-S119 VanDerWaalsContact OD1-CB 3.29Å; N117-S119 WeakPolarHBondContact OD1-CB 3.31Å; N117-S119 PolarHBondContact OD1-N 2.8Å; N117-L120 HydrophobicContact CB-CD1 4.09Å; N117-L120 HydrophobicContact CB-CG 4.25Å; N117-L120 PolarHBondContact O-N 2.87Å; N117-K125 WeakPolarHBondContact O-CE 3.25Å; N117-K125 PolarHBondContact O-NZ 3.17Å
118	T	79.6	Confident	89.7	Confident	121 Å²	121	69.8 Å²	69.8	74%	0.742	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.3	-179.1	55.4	0	0	0	0	114.3	I116	I116-T118 PolarHBondContact O-N 3.39Å
119	S	85.1	Confident	89.8	Confident	105 Å²	105	66.8 Å²	66.8	73%	0.734	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.2	178.6	-55.1	0	0	0	0	113.6	N117	N117-S119 PolarHBondContact O-N 3.41Å; N117-S119 VanDerWaalsContact OD1-CB 3.29Å; N117-S119 WeakPolarHBondContact OD1-CB 3.31Å; N117-S119 PolarHBondContact OD1-N 2.8Å
120	L	86	Confident	89.8	Confident	55 Å²	55	63.4 Å²	63.4	29%	0.288	35%	0.352	S	S	.	.	S	Bend	trans	-96.2	141.4	176.8	-65.3	176.7	0	0	0	110.5	I114 N117 E124 K125	I114-L120 HydrophobicContact CG2-CD1 3.8Å; N117-L120 HydrophobicContact CB-CD1 4.09Å; N117-L120 HydrophobicContact CB-CG 4.25Å; N117-L120 PolarHBondContact O-N 2.87Å; L120-E124 WeakPolarHBondContact CA-OE2 3.41Å; L120-K125 HydrophobicContact CB-CD 4.44Å; L120-K125 HydrophobicContact CB-CG 4Å; L120-K125 HydrophobicContact CD1-CG 4.46Å; L120-K125 WeakPolarHBondContact O-CE 3.09Å
121	S	88.9	Confident	89.9	Confident	44 Å²	44	63.2 Å²	63.2	31%	0.308	35%	0.346	S	S	.	.			trans	-71.8	162.7	175.1	98.4	0	0	0	0	111.7	E123 E124 K125	S121-E123 VanDerWaalsContact C-N 3.27Å; S121-E123 VanDerWaalsContact CB-OE2 3.24Å; S121-E123 WeakPolarHBondContact CB-OE2 3.24Å; S121-E123 PolarHBondContact O-N 2.86Å; S121-E123 PolarHBondContact OG-N 2.97Å; S121-E123 PolarHBondContact OG-OE2 2.93Å; S121-E124 PolarHBondContact N-OE2 2.87Å; S121-E124 PolarHBondContact O-N 3.1Å; S121-E124 PolarHBondContact OG-N 3.33Å; S121-K125 WeakPolarHBondContact O-CG 3.37Å; S121-K125 PolarHBondContact O-N 2.9Å
122	V	86.5	Confident	90	Very high	68 Å²	68	63.2 Å²	63.2	41%	0.412	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-39.8	175.5	174.6	0	0	0	0	110.5	E124 K125 L126 Y230	V122-E124 VanDerWaalsContact C-N 3.31Å; V122-E124 PolarHBondContact O-N 2.91Å; V122-K125 PolarHBondContact O-N 3.47Å; V122-L126 WeakPolarHBondContact O-CB 3.26Å; V122-L126 PolarHBondContact O-N 2.78Å; V122-Y230 HydrophobicContact CG1-CD1 4Å; V122-Y230 HydrophobicContact CG1-CG 4.13Å; V122-Y230 HydrophobicContact CG2-CD1 4.33Å
123	E	89.3	Confident	90.2	Very high	143 Å²	143	61.2 Å²	61.2	67%	0.668	34%	0.338	S	S	*	.	H	α-helix	trans	-62.6	-36.6	178.7	-57.8	75.2	-164.2	0	0	112.2	S121 P127	S121-E123 VanDerWaalsContact C-N 3.27Å; S121-E123 VanDerWaalsContact CB-OE2 3.24Å; S121-E123 WeakPolarHBondContact CB-OE2 3.24Å; S121-E123 PolarHBondContact O-N 2.86Å; S121-E123 PolarHBondContact OG-N 2.97Å; S121-E123 PolarHBondContact OG-OE2 2.93Å; E123-P127 VanDerWaalsContact O-CD 3.27Å; E123-P127 WeakPolarHBondContact O-CD 3.48Å
124	E	92.3	Very high	90.3	Very high	108 Å²	108	61 Å²	61	51%	0.505	34%	0.335	S	S	.	.	H	α-helix	trans	-71	-35.4	175.9	-67	176.3	131.2	0	0	112.1	L120 S121 V122	L120-E124 WeakPolarHBondContact CA-OE2 3.41Å; S121-E124 PolarHBondContact N-OE2 2.87Å; S121-E124 PolarHBondContact O-N 3.1Å; S121-E124 PolarHBondContact OG-N 3.33Å; V122-E124 VanDerWaalsContact C-N 3.31Å; V122-E124 PolarHBondContact O-N 2.91Å
125	K	91.7	Very high	90.6	Very high	15 Å²	15	62.9 Å²	62.9	7%	0.065	34%	0.342	C	S	.	.	H	α-helix	trans	-79.5	-32.1	-178.5	-67.5	176.5	-173.3	-176.9	0	113.6	I114 E115 N117 L120 S121 V122 L128 M129 Y230	I114-K125 HydrophobicContact CG2-CG 4.5Å; I114-K125 WeakPolarHBondContact O-CE 3.31Å; E115-K125 PolarHBondContact O-NZ 3.15Å; N117-K125 WeakPolarHBondContact O-CE 3.25Å; N117-K125 PolarHBondContact O-NZ 3.17Å; L120-K125 HydrophobicContact CB-CD 4.44Å; L120-K125 HydrophobicContact CB-CG 4Å; L120-K125 HydrophobicContact CD1-CG 4.46Å; L120-K125 WeakPolarHBondContact O-CE 3.09Å; S121-K125 WeakPolarHBondContact O-CG 3.37Å; S121-K125 PolarHBondContact O-N 2.9Å; V122-K125 PolarHBondContact O-N 3.47Å; K125-L128 WeakPolarHBondContact O-CB 3.17Å; K125-L128 PolarHBondContact O-N 2.99Å; K125-M129 PolarHBondContact O-N 2.94Å; K125-Y230 HydrophobicContact CB-CD2 4.07Å; K125-Y230 HydrophobicContact CB-CE2 3.79Å; K125-Y230 HydrophobicContact CD-CE2 3.71Å; K125-Y230 WeakPolarHBondContact CD-OH 3.29Å; K125-Y230 HydrophobicContact CG-CE2 4.42Å; K125-Y230 PolarHBondContact NZ-OH 2.83Å
126	L	90.9	Very high	91	Very high	63 Å²	63	61.3 Å²	61.3	33%	0.33	34%	0.335	S	S	.	.	H	α-helix	trans	-50.8	-55.4	-174.3	-168.7	159.6	0	0	0	113.3	V122 L128 M129 V130	V122-L126 WeakPolarHBondContact O-CB 3.26Å; V122-L126 PolarHBondContact O-N 2.78Å; L126-L128 PolarHBondContact O-N 3.42Å; L126-M129 PolarHBondContact O-N 2.93Å; L126-V130 HydrophobicContact CD2-CG2 4.13Å; L126-V130 WeakPolarHBondContact O-CG2 3.33Å; L126-V130 PolarHBondContact O-N 3.41Å; L126-V130 VanDerWaalsContact O-N 3.07Å
127	P	94.5	Very high	91.6	Very high	76 Å²	76	59.6 Å²	59.6	49%	0.494	33%	0.326	S	S	.	.	H	α-helix	trans	-63	-28.7	-179.3	25.4	-34.9	0	0	0	112.9	E123 E131	E123-P127 VanDerWaalsContact O-CD 3.27Å; E123-P127 WeakPolarHBondContact O-CD 3.48Å; P127-E131 WeakPolarHBondContact O-CB 3.28Å; P127-E131 PolarHBondContact O-N 3.29Å
128	L	95.8	Very high	92.3	Very high	55 Å²	55	61.1 Å²	61.1	29%	0.288	33%	0.334	S	S	.	.	H	α-helix	trans	-74.8	-35.3	178.9	-58.6	172.2	0	0	0	111.7	Y111 I114 K125 L126 E131 W132	Y111-L128 HydrophobicContact CD1-CB 4.4Å; Y111-L128 WeakPolarHBondContact CD1-O 3.33Å; Y111-L128 HydrophobicContact CE1-CB 4.39Å; Y111-L128 WeakPolarHBondContact CE1-O 3.47Å; I114-L128 HydrophobicContact CD1-CD1 4.33Å; I114-L128 HydrophobicContact CG2-CD1 3.64Å; K125-L128 WeakPolarHBondContact O-CB 3.17Å; K125-L128 PolarHBondContact O-N 2.99Å; L126-L128 PolarHBondContact O-N 3.42Å; L128-E131 PolarHBondContact O-N 2.86Å; L128-W132 WeakPolarHBondContact O-CB 3.33Å; L128-W132 PolarHBondContact O-N 2.9Å
129	M	95	Very high	93.2	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-69.7	-37.6	173.2	-64.5	-55.9	91.6	0	0	111.7	Y111 E115 K125 L126 W132 W133 H228 Y230	Y111-M129 HydrophobicContact CD1-CE 4.37Å; E115-M129 HydrophobicContact CB-CE 4.1Å; E115-M129 HydrophobicContact CB-SD 3.74Å; E115-M129 HydrophobicContact CG-SD 3.82Å; K125-M129 PolarHBondContact O-N 2.94Å; L126-M129 PolarHBondContact O-N 2.93Å; M129-W132 HydrophobicContact CE-CE3 3.96Å; M129-W132 PolarHBondContact O-N 3.45Å; M129-W132 HydrophobicContact SD-CE3 3.8Å; M129-W132 HydrophobicContact SD-CZ3 4.14Å; M129-W133 PolarHBondContact O-N 3.06Å; M129-H228 HydrophobicContact CB-CB 4.46Å; M129-Y230 HydrophobicContact CG-CD2 3.62Å; M129-Y230 HydrophobicContact CG-CE2 3.8Å; M129-Y230 HydrophobicContact SD-CE2 4.36Å
130	V	94.3	Very high	93.7	Very high	54 Å²	54	51.4 Å²	51.4	33%	0.327	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-47.8	172	173.7	0	0	0	0	110.2	L126 W132 T134 L226	L126-V130 HydrophobicContact CD2-CG2 4.13Å; L126-V130 WeakPolarHBondContact O-CG2 3.33Å; L126-V130 PolarHBondContact O-N 3.41Å; L126-V130 VanDerWaalsContact O-N 3.07Å; V130-W132 PolarHBondContact O-N 2.98Å; V130-T134 VanDerWaalsContact O-CB 3.25Å; V130-T134 WeakPolarHBondContact O-CB 3.48Å; V130-T134 PolarHBondContact O-N 3.15Å; V130-T134 PolarHBondContact O-OG1 3.1Å; V130-L226 HydrophobicContact CG1-CD2 4.49Å
131	E	96.5	Very high	94.2	Very high	79 Å²	79	50.4 Å²	50.4	37%	0.369	27%	0.265	S	S	.	.	H	α-helix	trans	-60.2	-46.3	178.2	-169.9	-171.6	-175.9	0	0	112	Y111 P127 L128 K135	Y111-E131 HydrophobicContact CE1-CB 4.43Å; Y111-E131 WeakPolarHBondContact OH-CG 3.08Å; Y111-E131 PolarHBondContact OH-OE1 3.37Å; Y111-E131 PolarHBondContact OH-OE2 3.35Å; P127-E131 WeakPolarHBondContact O-CB 3.28Å; P127-E131 PolarHBondContact O-N 3.29Å; L128-E131 PolarHBondContact O-N 2.86Å; E131-K135 HydrophobicContact CG-CD 4.26Å; E131-K135 WeakPolarHBondContact O-CG 3.43Å; E131-K135 PolarHBondContact O-N 3.2Å; E131-K135 VanDerWaalsContact OE1-CE 3.27Å; E131-K135 WeakPolarHBondContact OE1-CE 3.46Å; E131-K135 IonicContact OE1-NZ 2.73Å; E131-K135 PolarHBondContact OE1-NZ 3.29Å
132	W	96.5	Very high	94.6	Very high	13 Å²	13	54 Å²	54	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-58.2	-56.5	179.2	-179.2	13.6	0	0	0	111.9	L108 Y111 E115 L128 M129 V130 T134 K135 A136	L108-W132 HydrophobicContact CB-CZ2 4.39Å; L108-W132 HydrophobicContact CD1-CH2 3.89Å; L108-W132 HydrophobicContact CD1-CZ2 3.63Å; Y111-W132 VanDerWaalsContact CB-CE3 3.43Å; Y111-W132 VanDerWaalsContact CB-CG 3.49Å; Y111-W132 HydrophobicContact CD1-CB 3.73Å; Y111-W132 HydrophobicContact CD1-CG 4.32Å; Y111-W132 HydrophobicContact CD2-CB 3.61Å; Y111-W132 AromaticContact CD2-CD1 3.62Å; Y111-W132 HydrophobicContact CD2-CD2 4.25Å; Y111-W132 AromaticContact CD2-CG 3.53Å; Y111-W132 HydrophobicContact CD2-CG 3.53Å; Y111-W132 HydrophobicContact CE1-CB 4.14Å; Y111-W132 HydrophobicContact CE2-CB 4.05Å; Y111-W132 HydrophobicContact CE2-CG 4.33Å; Y111-W132 HydrophobicContact CG-CB 3.45Å; Y111-W132 VanDerWaalsContact CG-CB 3.45Å; Y111-W132 AromaticContact CG-CD2 3.97Å; Y111-W132 HydrophobicContact CG-CD2 3.97Å; Y111-W132 HydrophobicContact CG-CE3 4.37Å; Y111-W132 AromaticContact CG-CG 3.54Å; Y111-W132 HydrophobicContact CG-CG 3.54Å; E115-W132 VanDerWaalsContact OE2-CZ3 3.26Å; E115-W132 WeakPolarHBondContact OE2-CZ3 3.27Å; L128-W132 WeakPolarHBondContact O-CB 3.33Å; L128-W132 PolarHBondContact O-N 2.9Å; M129-W132 HydrophobicContact CE-CE3 3.96Å; M129-W132 PolarHBondContact O-N 3.45Å; M129-W132 HydrophobicContact SD-CE3 3.8Å; M129-W132 HydrophobicContact SD-CZ3 4.14Å; V130-W132 PolarHBondContact O-N 2.98Å; W132-T134 VanDerWaalsContact C-N 3.33Å; W132-T134 PolarHBondContact O-N 2.93Å; W132-K135 PolarHBondContact O-N 3.26Å; W132-A136 WeakPolarHBondContact O-CB 3.36Å; W132-A136 PolarHBondContact O-N 2.89Å
133	W	94.8	Very high	95.1	Very high	36 Å²	36	52.8 Å²	52.8	14%	0.136	27%	0.267	C	S	.	.	H	α-helix	trans	-70	-32.4	-174.1	-72.1	117.4	0	0	0	112.3	H87 M129 A136 H137 L226	H87-W133 HydrophobicContact CB-CZ3 4.49Å; H87-W133 AromaticContact CD2-CE3 4Å; H87-W133 AromaticContact CD2-CZ3 3.31Å; H87-W133 WeakPolarHBondContact CD2-CZ3 3.31Å; H87-W133 AromaticContact CE1-CH2 3.83Å; H87-W133 AromaticContact CE1-CZ3 3.52Å; H87-W133 AromaticContact CG-CZ3 3.7Å; H87-W133 AromaticContact ND1-CH2 3.92Å; H87-W133 AromaticContact ND1-CZ3 3.86Å; H87-W133 AromaticContact NE2-CE3 3.49Å; H87-W133 AromaticContact NE2-CH2 3.95Å; H87-W133 AromaticContact NE2-CZ3 3.17Å; H87-W133 WeakPolarHBondContact NE2-CZ3 3.3Å; M129-W133 PolarHBondContact O-N 3.06Å; W133-A136 HydrophobicContact CE3-CB 4.18Å; W133-A136 PolarHBondContact O-N 2.96Å; W133-H137 WeakPolarHBondContact O-CB 3.34Å; W133-H137 PolarHBondContact O-N 3.39Å; W133-L226 HydrophobicContact CB-CD1 3.78Å; W133-L226 HydrophobicContact CB-CD2 3.76Å; W133-L226 HydrophobicContact CB-CG 4.37Å; W133-L226 HydrophobicContact CG-CD1 4.48Å
134	T	94.8	Very high	95.5	Very high	61 Å²	61	50 Å²	50	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-59.5	-51.4	171.2	-56.3	0	0	0	0	110.5	V130 W132 A136 H137 D138	V130-T134 VanDerWaalsContact O-CB 3.25Å; V130-T134 WeakPolarHBondContact O-CB 3.48Å; V130-T134 PolarHBondContact O-N 3.15Å; V130-T134 PolarHBondContact O-OG1 3.1Å; W132-T134 VanDerWaalsContact C-N 3.33Å; W132-T134 PolarHBondContact O-N 2.93Å; T134-A136 VanDerWaalsContact C-N 3.32Å; T134-A136 PolarHBondContact O-N 2.86Å; T134-H137 PolarHBondContact O-N 3.01Å; T134-D138 VanDerWaalsContact O-CG 3.27Å; T134-D138 PolarHBondContact O-N 3.42Å
135	K	97.1	Very high	95.7	Very high	80 Å²	80	44.9 Å²	44.9	35%	0.348	23%	0.233	S	C	.	.	H	α-helix	trans	-60.8	-40.7	177.6	-72	174.9	-177.8	171.2	0	112.4	L107 Y111 E131 W132 L139	L107-K135 HydrophobicContact CD1-CB 3.81Å; L107-K135 HydrophobicContact CD2-CB 4.07Å; L107-K135 HydrophobicContact CD2-CD 3.82Å; Y111-K135 PolarHBondContact OH-NZ 2.89Å; E131-K135 HydrophobicContact CG-CD 4.26Å; E131-K135 WeakPolarHBondContact O-CG 3.43Å; E131-K135 PolarHBondContact O-N 3.2Å; E131-K135 VanDerWaalsContact OE1-CE 3.27Å; E131-K135 WeakPolarHBondContact OE1-CE 3.46Å; E131-K135 IonicContact OE1-NZ 2.73Å; E131-K135 PolarHBondContact OE1-NZ 3.29Å; W132-K135 PolarHBondContact O-N 3.26Å; K135-L139 WeakPolarHBondContact O-CG 3.45Å; K135-L139 PolarHBondContact O-N 2.78Å; K135-L139 VanDerWaalsContact O-N 3.13Å
136	A	96.1	Very high	96	Very high	3 Å²	3	48.5 Å²	48.5	3%	0.025	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-45.7	178.7	0	0	0	0	0	111.2	L104 L107 W132 W133 T134 L139 L140	L104-A136 HydrophobicContact CD2-CB 3.98Å; L107-A136 HydrophobicContact CD1-CB 4.2Å; W132-A136 WeakPolarHBondContact O-CB 3.36Å; W132-A136 PolarHBondContact O-N 2.89Å; W133-A136 HydrophobicContact CE3-CB 4.18Å; W133-A136 PolarHBondContact O-N 2.96Å; T134-A136 VanDerWaalsContact C-N 3.32Å; T134-A136 PolarHBondContact O-N 2.86Å; A136-L139 PolarHBondContact O-N 3.38Å; A136-L140 WeakPolarHBondContact O-CG 3.41Å; A136-L140 PolarHBondContact O-N 3.5Å; A136-L140 VanDerWaalsContact O-N 3.12Å
137	H	96.4	Very high	96.2	Very high	13 Å²	13	51.3 Å²	51.3	6%	0.06	26%	0.258	C	S	.	.	H	α-helix	trans	-64.9	-39.8	177.7	-71	171.2	0	0	0	112.6	H87 W133 T134 L139 L140 V141 F222	H87-H137 AromaticContact NE2-NE2 3.41Å; H87-H137 PolarHBondContact NE2-NE2 3.23Å; W133-H137 WeakPolarHBondContact O-CB 3.34Å; W133-H137 PolarHBondContact O-N 3.39Å; T134-H137 PolarHBondContact O-N 3.01Å; H137-L139 VanDerWaalsContact C-N 3.34Å; H137-L139 PolarHBondContact O-N 3.2Å; H137-L140 WeakPolarHBondContact O-CB 3.14Å; H137-L140 PolarHBondContact O-N 2.9Å; H137-L140 VanDerWaalsContact O-N 3.17Å; H137-V141 WeakPolarHBondContact O-CG2 3.36Å; H137-V141 PolarHBondContact O-N 2.97Å; H137-F222 HydrophobicContact CB-CD2 3.66Å; H137-F222 HydrophobicContact CB-CE2 3.68Å; H137-F222 AromaticContact CD2-CE2 3.59Å; H137-F222 AromaticContact CD2-CZ 3.56Å; H137-F222 AromaticContact CE1-CD1 3.95Å; H137-F222 AromaticContact CG-CD2 3.61Å; H137-F222 AromaticContact CG-CE2 3.58Å; H137-F222 AromaticContact ND1-CD2 3.83Å; H137-F222 AromaticContact ND1-CG 3.83Å; H137-F222 AromaticContact NE2-CE1 3.77Å; H137-F222 AromaticContact NE2-CZ 3.83Å
138	D	96.9	Very high	96.2	Very high	91 Å²	91	54.2 Å²	54.2	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-59.4	-44.7	174.6	-71.8	-19.8	0	0	0	111.4	T134 L140 V141 E142	T134-D138 VanDerWaalsContact O-CG 3.27Å; T134-D138 PolarHBondContact O-N 3.42Å; D138-L140 VanDerWaalsContact C-N 3.3Å; D138-L140 PolarHBondContact O-N 3.18Å; D138-V141 PolarHBondContact O-N 3.35Å; D138-E142 WeakPolarHBondContact O-CG 3.19Å; D138-E142 PolarHBondContact O-N 3.03Å; D138-E142 VanDerWaalsContact O-N 3.08Å
139	L	97.4	Very high	96.2	Very high	22 Å²	22	54.8 Å²	54.8	12%	0.115	27%	0.266	C	S	.	.	H	α-helix	trans	-60.5	-38.8	175.4	-72.8	172.7	0	0	0	112.4	K103 L104 L107 K135 A136 H137 E142 Q143	K103-L139 HydrophobicContact CB-CD1 3.74Å; K103-L139 HydrophobicContact CB-CD2 4.27Å; K103-L139 HydrophobicContact CD-CD2 3.73Å; L104-L139 HydrophobicContact CD2-CB 4.2Å; L104-L139 HydrophobicContact CD2-CD1 3.98Å; L104-L139 HydrophobicContact CG-CD1 4.21Å; L107-L139 HydrophobicContact CD1-CD1 3.71Å; K135-L139 WeakPolarHBondContact O-CG 3.45Å; K135-L139 PolarHBondContact O-N 2.78Å; K135-L139 VanDerWaalsContact O-N 3.13Å; A136-L139 PolarHBondContact O-N 3.38Å; H137-L139 VanDerWaalsContact C-N 3.34Å; H137-L139 PolarHBondContact O-N 3.2Å; L139-E142 PolarHBondContact O-N 2.92Å; L139-Q143 WeakPolarHBondContact O-CG 3.29Å
140	L	96.6	Very high	96.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-66.4	-40.6	176.3	-65.6	176.5	0	0	0	111.8	L90 I96 L104 A136 H137 D138 E142 Q143 I145 I186 L219 F222	L90-L140 HydrophobicContact CD2-CD1 3.92Å; L90-L140 HydrophobicContact CD2-CD2 3.92Å; L90-L140 HydrophobicContact CD2-CG 4.46Å; L90-L140 HydrophobicContact CG-CD2 4.4Å; I96-L140 HydrophobicContact CD1-CD2 3.65Å; L104-L140 HydrophobicContact CD1-CD2 4.1Å; A136-L140 WeakPolarHBondContact O-CG 3.41Å; A136-L140 PolarHBondContact O-N 3.5Å; A136-L140 VanDerWaalsContact O-N 3.12Å; H137-L140 WeakPolarHBondContact O-CB 3.14Å; H137-L140 PolarHBondContact O-N 2.9Å; H137-L140 VanDerWaalsContact O-N 3.17Å; D138-L140 VanDerWaalsContact C-N 3.3Å; D138-L140 PolarHBondContact O-N 3.18Å; L140-E142 VanDerWaalsContact C-N 3.29Å; L140-E142 PolarHBondContact O-N 3.45Å; L140-Q143 WeakPolarHBondContact O-CB 3.2Å; L140-Q143 PolarHBondContact O-N 3.26Å; L140-Q143 VanDerWaalsContact O-N 3.14Å; L140-I145 HydrophobicContact CB-CD1 4.18Å; L140-I145 HydrophobicContact CD2-CD1 4.33Å; L140-I145 WeakPolarHBondContact O-CD1 3.49Å; L140-I186 HydrophobicContact CD1-CD1 4.26Å; L140-L219 HydrophobicContact CB-CD2 4.24Å; L140-F222 HydrophobicContact CD1-CE2 4.46Å; L140-F222 HydrophobicContact CD1-CZ 4.13Å
141	V	96.9	Very high	96.5	Very high	34 Å²	34	53.8 Å²	53.8	21%	0.206	26%	0.263	C	S	.	.	H	α-helix	trans	-60.5	-40.3	175.9	170.4	0	0	0	0	110.9	H137 D138 Q143 N144 L219 R220	H137-V141 WeakPolarHBondContact O-CG2 3.36Å; H137-V141 PolarHBondContact O-N 2.97Å; D138-V141 PolarHBondContact O-N 3.35Å; V141-Q143 PolarHBondContact O-N 2.85Å; V141-Q143 VanDerWaalsContact O-N 3.14Å; V141-N144 PolarHBondContact O-N 3.42Å; V141-L219 HydrophobicContact CG2-CD2 4.25Å; V141-L219 HydrophobicContact CG2-CG 4.12Å; V141-R220 VanDerWaalsContact CG1-O 3.32Å; V141-R220 WeakPolarHBondContact CG1-O 3.39Å
142	E	96.9	Very high	96.5	Very high	118 Å²	118	52.5 Å²	52.5	55%	0.551	26%	0.26	S	S	*	.	H	α-helix	trans	-61.1	-21.8	177.6	-70.6	176.7	-174.7	0	0	113.7	D138 L139 L140 N144	D138-E142 WeakPolarHBondContact O-CG 3.19Å; D138-E142 PolarHBondContact O-N 3.03Å; D138-E142 VanDerWaalsContact O-N 3.08Å; L139-E142 PolarHBondContact O-N 2.92Å; L140-E142 VanDerWaalsContact C-N 3.29Å; L140-E142 PolarHBondContact O-N 3.45Å; E142-N144 VanDerWaalsContact C-N 3.26Å; E142-N144 PolarHBondContact O-N 2.86Å; E142-N144 PolarHBondContact O-ND2 3.48Å
143	Q	97.5	Very high	96.6	Very high	43 Å²	43	52.3 Å²	52.3	20%	0.201	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-7.1	179.9	-59.2	-49.7	-82.7	0	0	113.8	I96 S97 C100 L139 L140 V141 I145	I96-Q143 HydrophobicContact CD1-CB 4.13Å; I96-Q143 HydrophobicContact CD1-CG 3.76Å; S97-Q143 VanDerWaalsContact CB-OE1 3.3Å; S97-Q143 PolarHBondContact OG-OE1 2.9Å; C100-Q143 HydrophobicContact CB-CG 4.14Å; C100-Q143 VanDerWaalsContact SG-CD 3.58Å; L139-Q143 WeakPolarHBondContact O-CG 3.29Å; L140-Q143 WeakPolarHBondContact O-CB 3.2Å; L140-Q143 PolarHBondContact O-N 3.26Å; L140-Q143 VanDerWaalsContact O-N 3.14Å; V141-Q143 PolarHBondContact O-N 2.85Å; V141-Q143 VanDerWaalsContact O-N 3.14Å; Q143-I145 HydrophobicContact CB-CD1 4.28Å; Q143-I145 HydrophobicContact CB-CG1 3.81Å; Q143-I145 PolarHBondContact O-N 3.36Å
144	N	95.8	Very high	96.8	Very high	84 Å²	84	51 Å²	51	45%	0.449	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	41	-176.9	-60.3	-82.3	0	0	0	113.2	V141 E142 K146 I218	V141-N144 PolarHBondContact O-N 3.42Å; E142-N144 VanDerWaalsContact C-N 3.26Å; E142-N144 PolarHBondContact O-N 2.86Å; E142-N144 PolarHBondContact O-ND2 3.48Å; N144-K146 PolarHBondContact O-N 3.16Å; N144-I218 HydrophobicContact CB-CG2 3.87Å
145	I	97.4	Very high	96.9	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	27%	0.266	C	S	.	.			trans	-58.6	130.4	-177.5	-58.1	166	0	0	0	109.7	L90 A95 I96 L140 Q143 L150 L219	L90-I145 HydrophobicContact CD1-CD1 4.25Å; L90-I145 HydrophobicContact CD1-CG2 4.39Å; L90-I145 HydrophobicContact CD2-CD1 3.97Å; L90-I145 HydrophobicContact CG-CD1 4.3Å; A95-I145 HydrophobicContact CB-CG1 4.44Å; A95-I145 HydrophobicContact CB-CG2 4.3Å; I96-I145 HydrophobicContact CD1-CD1 3.59Å; I96-I145 HydrophobicContact CD1-CG1 4.15Å; L140-I145 HydrophobicContact CB-CD1 4.18Å; L140-I145 HydrophobicContact CD2-CD1 4.33Å; L140-I145 WeakPolarHBondContact O-CD1 3.49Å; Q143-I145 HydrophobicContact CB-CD1 4.28Å; Q143-I145 HydrophobicContact CB-CG1 3.81Å; Q143-I145 PolarHBondContact O-N 3.36Å; I145-L150 HydrophobicContact CG2-CD2 4.05Å; I145-L219 HydrophobicContact CB-CB 4.17Å; I145-L219 HydrophobicContact CB-CD2 4.37Å; I145-L219 HydrophobicContact CD1-CD2 3.94Å; I145-L219 WeakPolarHBondContact O-CB 3.3Å; I145-L219 PolarHBondContact O-N 3.17Å
146	K	97.1	Very high	96.9	Very high	92 Å²	92	56.3 Å²	56.3	40%	0.4	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-89.1	142.9	174.5	-62.3	176.9	177.9	-179.7	0	110.9	N144 E148 E149 G217 I218	N144-K146 PolarHBondContact O-N 3.16Å; K146-E148 HydrophobicContact CB-CG 4Å; K146-E148 HydrophobicContact CD-CG 4.47Å; K146-E148 IonicContact NZ-OE1 3.98Å; K146-E148 PolarHBondContact O-N 2.98Å; K146-E148 VanDerWaalsContact O-N 3.14Å; K146-E149 HydrophobicContact CB-CG 4.06Å; K146-E149 PolarHBondContact N-OE2 3.35Å; K146-E149 WeakPolarHBondContact O-CB 3.16Å; K146-E149 PolarHBondContact O-N 3.38Å; K146-G217 CarbonylContact C-O 3.58Å; K146-G217 WeakPolarHBondContact CA-O 3.4Å; K146-I218 HydrophobicContact CG-CG1 4.46Å
147	K	95.4	Very high	97	Very high	122 Å²	122	57.7 Å²	57.7	53%	0.53	28%	0.282	S	S	.	.	H	α-helix	trans	-54.6	-36.7	178.1	-172.3	170.4	-177.3	170.4	0	113.6	E149 L150 F213 G217	K147-E149 VanDerWaalsContact C-N 3.25Å; K147-E149 PolarHBondContact O-N 3.28Å; K147-L150 WeakPolarHBondContact O-CB 3.3Å; K147-L150 WeakPolarHBondContact O-CG 3.16Å; K147-L150 PolarHBondContact O-N 3.29Å; K147-F213 HydrophobicContact CB-CD1 3.85Å; K147-F213 HydrophobicContact CB-CD2 4.3Å; K147-F213 HydrophobicContact CB-CE1 3.74Å; K147-F213 HydrophobicContact CB-CE2 4.17Å; K147-F213 HydrophobicContact CB-CG 4.14Å; K147-F213 HydrophobicContact CB-CZ 3.91Å; K147-F213 HydrophobicContact CD-CD2 3.97Å; K147-F213 HydrophobicContact CD-CE2 4.09Å; K147-F213 HydrophobicContact CD-CG 4.39Å; K147-F213 HydrophobicContact CG-CD2 4.25Å; K147-F213 HydrophobicContact CG-CE1 4.4Å; K147-F213 HydrophobicContact CG-CE2 3.96Å; K147-F213 HydrophobicContact CG-CZ 4.06Å; K147-G217 PolarHBondContact N-O 3.27Å
148	E	94.4	Very high	97	Very high	136 Å²	136	61.5 Å²	61.5	64%	0.636	30%	0.303	S	S	*	.	H	α-helix	trans	-66.9	-23.7	178.5	62.5	-174.1	-179.4	0	0	113.7	K146 L150	K146-E148 HydrophobicContact CB-CG 4Å; K146-E148 HydrophobicContact CD-CG 4.47Å; K146-E148 IonicContact NZ-OE1 3.98Å; K146-E148 PolarHBondContact O-N 2.98Å; K146-E148 VanDerWaalsContact O-N 3.14Å; E148-L150 VanDerWaalsContact C-N 3.28Å; E148-L150 PolarHBondContact O-N 2.83Å
149	E	96.7	Very high	97	Very high	67 Å²	67	58.4 Å²	58.4	31%	0.313	29%	0.29	S	S	.	.	H	α-helix	trans	-73.2	-22.3	178.6	-65.2	173.5	136.1	0	0	111.9	A95 K146 K147 A151 V152 A153	A95-E149 HydrophobicContact CB-CB 4.33Å; K146-E149 HydrophobicContact CB-CG 4.06Å; K146-E149 PolarHBondContact N-OE2 3.35Å; K146-E149 WeakPolarHBondContact O-CB 3.16Å; K146-E149 PolarHBondContact O-N 3.38Å; K147-E149 VanDerWaalsContact C-N 3.25Å; K147-E149 PolarHBondContact O-N 3.28Å; E149-A151 PolarHBondContact O-N 3.38Å; E149-V152 WeakPolarHBondContact O-CB 3.49Å; E149-V152 PolarHBondContact O-N 3.2Å; E149-V152 VanDerWaalsContact O-N 3.15Å; E149-A153 WeakPolarHBondContact O-CB 3.26Å; E149-A153 PolarHBondContact O-N 2.81Å
150	L	97.8	Very high	97.1	Very high	7 Å²	7	60.4 Å²	60.4	4%	0.037	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-44.6	178.8	-57.6	-170.3	0	0	0	112	L90 I145 K147 E148 V152 A153 V154 D188 I189 M211 F213	L90-L150 HydrophobicContact CD1-CD2 3.92Å; I145-L150 HydrophobicContact CG2-CD2 4.05Å; K147-L150 WeakPolarHBondContact O-CB 3.3Å; K147-L150 WeakPolarHBondContact O-CG 3.16Å; K147-L150 PolarHBondContact O-N 3.29Å; E148-L150 VanDerWaalsContact C-N 3.28Å; E148-L150 PolarHBondContact O-N 2.83Å; L150-V152 VanDerWaalsContact C-N 3.25Å; L150-V152 PolarHBondContact O-N 3.4Å; L150-A153 PolarHBondContact O-N 3.31Å; L150-V154 WeakPolarHBondContact O-CG2 3.37Å; L150-V154 PolarHBondContact O-N 3.21Å; L150-D188 HydrophobicContact CD1-CB 3.56Å; L150-I189 HydrophobicContact CB-CD1 4.12Å; L150-I189 HydrophobicContact CD2-CD1 3.88Å; L150-I189 HydrophobicContact CG-CD1 4.43Å; L150-M211 HydrophobicContact CD1-SD 4.04Å; L150-M211 HydrophobicContact CD2-CE 4.42Å; L150-M211 HydrophobicContact CD2-SD 4.1Å; L150-F213 HydrophobicContact CD1-CE2 4.44Å; L150-F213 HydrophobicContact CD1-CZ 3.9Å
151	A	97.3	Very high	97.2	Very high	27 Å²	27	61.1 Å²	61.1	22%	0.223	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-33.3	177.2	0	0	0	0	0	112.2	E149 R155 E192 Q196	E149-A151 PolarHBondContact O-N 3.38Å; A151-R155 VanDerWaalsContact O-CB 3.28Å; A151-R155 WeakPolarHBondContact O-CB 3.5Å; A151-R155 PolarHBondContact O-N 3.48Å; A151-R155 PolarHBondContact O-NH1 3.05Å; A151-E192 HydrophobicContact CB-CG 4.26Å; A151-E192 WeakPolarHBondContact CB-OE1 3.39Å; A151-Q196 PolarHBondContact O-NE2 3.47Å
152	V	97.6	Very high	97.2	Very high	52 Å²	52	59.5 Å²	59.5	32%	0.315	29%	0.294	S	S	.	.	H	α-helix	trans	-70.5	-46.7	174.1	-174.7	0	0	0	0	110.2	E149 L150 V154 R155 E156	E149-V152 WeakPolarHBondContact O-CB 3.49Å; E149-V152 PolarHBondContact O-N 3.2Å; E149-V152 VanDerWaalsContact O-N 3.15Å; L150-V152 VanDerWaalsContact C-N 3.25Å; L150-V152 PolarHBondContact O-N 3.4Å; V152-V154 PolarHBondContact O-N 2.97Å; V152-R155 PolarHBondContact O-N 3.13Å; V152-E156 HydrophobicContact CG1-CG 4.17Å; V152-E156 WeakPolarHBondContact O-CB 3.38Å; V152-E156 WeakPolarHBondContact O-CG 3.32Å; V152-E156 PolarHBondContact O-N 3.33Å
153	A	98	Very high	97.3	Very high	8 Å²	8	59.9 Å²	59.9	7%	0.066	30%	0.295	C	S	.	.	H	α-helix	trans	-57	-47.6	179.3	0	0	0	0	0	111.5	I89 E149 L150 S157	I89-A153 HydrophobicContact CG2-CB 4.27Å; E149-A153 WeakPolarHBondContact O-CB 3.26Å; E149-A153 PolarHBondContact O-N 2.81Å; L150-A153 PolarHBondContact O-N 3.31Å; A153-S157 VanDerWaalsContact O-CB 3.31Å; A153-S157 WeakPolarHBondContact O-CB 3.15Å; A153-S157 PolarHBondContact O-N 3.17Å; A153-S157 VanDerWaalsContact O-N 3.11Å
154	V	98.3	Very high	97.4	Very high	10 Å²	10	59.1 Å²	59.1	6%	0.061	30%	0.3	C	S	.	.	H	α-helix	trans	-61	-49.8	176.5	170.3	0	0	0	0	111.3	I89 L150 V152 E156 S157 I189 E192 V193	I89-V154 HydrophobicContact CG2-CG2 4.05Å; L150-V154 WeakPolarHBondContact O-CG2 3.37Å; L150-V154 PolarHBondContact O-N 3.21Å; V152-V154 PolarHBondContact O-N 2.97Å; V154-E156 VanDerWaalsContact C-N 3.31Å; V154-E156 PolarHBondContact O-N 3.4Å; V154-S157 WeakPolarHBondContact O-CB 3.45Å; V154-S157 PolarHBondContact O-N 3.43Å; V154-S157 VanDerWaalsContact O-N 3.13Å; V154-S157 PolarHBondContact O-OG 2.81Å; V154-I189 HydrophobicContact CG2-CD1 4.14Å; V154-I189 HydrophobicContact CG2-CG2 4.09Å; V154-E192 HydrophobicContact CB-CG 4.04Å; V154-E192 HydrophobicContact CG1-CG 4.33Å; V154-E192 HydrophobicContact CG2-CB 4.02Å; V154-E192 HydrophobicContact CG2-CG 3.87Å; V154-V193 HydrophobicContact CG1-CB 4.39Å; V154-V193 HydrophobicContact CG1-CG2 3.77Å; V154-V193 HydrophobicContact CG2-CG2 4.02Å
155	R	97.8	Very high	97.5	Very high	148 Å²	148	57.7 Å²	57.7	56%	0.558	29%	0.288	S	S	*	.	H	α-helix	trans	-63.9	-33.6	-176.7	-177.4	174.2	55.5	-103.4	-2.1	113.5	A151 V152	A151-R155 VanDerWaalsContact O-CB 3.28Å; A151-R155 WeakPolarHBondContact O-CB 3.5Å; A151-R155 PolarHBondContact O-N 3.48Å; A151-R155 PolarHBondContact O-NH1 3.05Å; V152-R155 PolarHBondContact O-N 3.13Å
156	E	97.4	Very high	97.6	Very high	104 Å²	104	63 Å²	63	49%	0.486	31%	0.313	S	S	.	.	H	α-helix	trans	-88.2	-5.5	178.6	-66	-170.9	160.6	0	0	113.1	K94 V152 V154	K94-E156 WeakPolarHBondContact CE-OE2 3.37Å; K94-E156 IonicContact NZ-OE1 3.49Å; K94-E156 PolarHBondContact NZ-OE1 3.33Å; K94-E156 IonicContact NZ-OE2 3.92Å; K94-E156 PolarHBondContact NZ-OE2 3.13Å; V152-E156 HydrophobicContact CG1-CG 4.17Å; V152-E156 WeakPolarHBondContact O-CB 3.38Å; V152-E156 WeakPolarHBondContact O-CG 3.32Å; V152-E156 PolarHBondContact O-N 3.33Å; V154-E156 VanDerWaalsContact C-N 3.31Å; V154-E156 PolarHBondContact O-N 3.4Å
157	S	97.5	Very high	97.6	Very high	32 Å²	32	62.6 Å²	62.6	22%	0.224	32%	0.315	C	S	.	.	S	Bend	trans	-81.7	164	-178.9	76.4	0	0	0	0	113.2	A153 V154 A159	A153-S157 VanDerWaalsContact O-CB 3.31Å; A153-S157 WeakPolarHBondContact O-CB 3.15Å; A153-S157 PolarHBondContact O-N 3.17Å; A153-S157 VanDerWaalsContact O-N 3.11Å; V154-S157 WeakPolarHBondContact O-CB 3.45Å; V154-S157 PolarHBondContact O-N 3.43Å; V154-S157 VanDerWaalsContact O-N 3.13Å; V154-S157 PolarHBondContact O-OG 2.81Å; S157-A159 PolarHBondContact O-N 3.47Å; S157-A159 VanDerWaalsContact OG-CB 3.28Å; S157-A159 WeakPolarHBondContact OG-CB 3.41Å; S157-A159 PolarHBondContact OG-N 3.1Å
158	D	96.8	Very high	97.8	Very high	92 Å²	92	56.8 Å²	56.8	49%	0.492	29%	0.29	S	S	.	.			trans	-89.1	21.8	170.1	-65.2	-37.9	0	0	0	112.3	K81 P84 M160	K81-D158 IonicContact NZ-OD2 2.73Å; K81-D158 PolarHBondContact NZ-OD2 3.13Å; P84-D158 WeakPolarHBondContact CD-O 3.4Å; D158-M160 PolarHBondContact O-N 2.79Å
159	A	96.8	Very high	98	Very high	27 Å²	27	50.4 Å²	50.4	22%	0.223	26%	0.26	C	S	.	.			trans	-63.8	135.1	179.1	0	0	0	0	0	110.8	P84 I89 S157	P84-A159 HydrophobicContact CG-CB 4.07Å; I89-A159 HydrophobicContact CD1-CB 3.55Å; I89-A159 HydrophobicContact CG1-CB 4.02Å; S157-A159 PolarHBondContact O-N 3.47Å; S157-A159 VanDerWaalsContact OG-CB 3.28Å; S157-A159 WeakPolarHBondContact OG-CB 3.41Å; S157-A159 PolarHBondContact OG-N 3.1Å
160	M	98.3	Very high	98.1	Very high	64 Å²	64	50 Å²	50	32%	0.315	26%	0.26	S	S	.	.			trans	-136.1	130.7	-179.5	-69.1	-168.2	160.9	0	0	110.2	T74 R75 Y78 D158	T74-M160 CarbonylContact C-O 3.59Å; T74-M160 VanDerWaalsContact CA-O 3.24Å; T74-M160 WeakPolarHBondContact CA-O 3.35Å; T74-M160 WeakPolarHBondContact CB-O 3.44Å; R75-M160 HydrophobicContact CB-CB 4.27Å; R75-M160 HydrophobicContact CG-CB 4.09Å; R75-M160 PolarHBondContact N-O 3.5Å; Y78-M160 HydrophobicContact CD1-CE 3.69Å; Y78-M160 HydrophobicContact CD1-SD 3.68Å; Y78-M160 HydrophobicContact CD2-CE 4.48Å; Y78-M160 HydrophobicContact CD2-SD 3.7Å; Y78-M160 HydrophobicContact CE1-CE 3.72Å; Y78-M160 HydrophobicContact CE1-SD 4.16Å; Y78-M160 HydrophobicContact CE2-SD 4.18Å; Y78-M160 HydrophobicContact CG-CE 4.09Å; Y78-M160 HydrophobicContact CG-SD 3.43Å; D158-M160 PolarHBondContact O-N 2.79Å
161	L	98.8	Very high	98.1	Very high	15 Å²	15	50.5 Å²	50.5	8%	0.079	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-72.8	151.1	163.3	-66.3	171.7	0	0	0	109.7	F69 T74 R75 Y165 V193 A197 V199	F69-L161 HydrophobicContact CE2-CD2 4.05Å; F69-L161 HydrophobicContact CZ-CD2 4.26Å; T74-L161 HydrophobicContact CG2-CD2 3.95Å; R75-L161 PolarHBondContact NE-O 3.37Å; R75-L161 VanDerWaalsContact NE-O 3.13Å; L161-Y165 HydrophobicContact CB-CD1 3.58Å; L161-Y165 HydrophobicContact CB-CD2 4.15Å; L161-Y165 HydrophobicContact CB-CE1 4.17Å; L161-Y165 HydrophobicContact CB-CG 3.57Å; L161-Y165 HydrophobicContact CD1-CD1 4.3Å; L161-Y165 HydrophobicContact CD1-CD2 3.37Å; L161-Y165 HydrophobicContact CD1-CE2 3.67Å; L161-Y165 HydrophobicContact CD1-CG 3.72Å; L161-Y165 HydrophobicContact CG-CD2 4.39Å; L161-Y165 HydrophobicContact CG-CG 4.28Å; L161-V193 HydrophobicContact CD2-CG1 4.43Å; L161-V193 HydrophobicContact CG-CG1 4.49Å; L161-A197 HydrophobicContact CD1-CB 3.7Å; L161-V199 HydrophobicContact CD1-CG2 4.21Å
162	R	98.7	Very high	98.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-58.6	150.1	174.8	-76.4	-179.7	179.1	-84.8	-10.9	111.2	M71 T72 L73 T74 R75 G164 Y165 F279 N281 D302 E303 L305	M71-R162 PolarHBondContact O-NH2 2.84Å; T72-R162 WeakPolarHBondContact O-CD 3.22Å; T72-R162 PolarHBondContact O-NE 3.11Å; L73-R162 PolarHBondContact O-N 3.42Å; T74-R162 PolarHBondContact O-NE 2.95Å; R75-R162 HydrophobicContact CG-CG 4.18Å; R162-G164 PolarHBondContact O-N 2.89Å; R162-Y165 WeakPolarHBondContact O-CB 3.11Å; R162-Y165 WeakPolarHBondContact O-CD1 3.41Å; R162-Y165 PolarHBondContact O-N 2.76Å; R162-F279 VanDerWaalsContact NH1-CD1 3.33Å; R162-N281 PolarHBondContact NH2-OD1 3.47Å; R162-D302 PolarHBondContact NH1-O 2.89Å; R162-E303 WeakPolarHBondContact CA-O 3.39Å; R162-E303 WeakPolarHBondContact CB-O 3.36Å; R162-E303 IonicContact NH1-OE2 3.84Å; R162-L305 HydrophobicContact CB-CD1 4.35Å; R162-L305 HydrophobicContact CB-CD2 4.39Å; R162-L305 HydrophobicContact CB-CG 3.82Å
163	E	98.6	Very high	98.2	Very high	126 Å²	126	49.4 Å²	49.4	59%	0.589	25%	0.25	S	C	*	.	B	Isolated β-bridge	trans	-55.7	136.1	176.5	-169.5	171.5	163.2	0	0	111.6	E303 S304 L305	E163-E303 PolarHBondContact N-O 2.93Å; E163-S304 CarbonylContact O-C 3.51Å; E163-S304 WeakPolarHBondContact O-CA 3.23Å; E163-L305 PolarHBondContact O-N 2.82Å
164	G	98.4	Very high	98.2	Very high	28 Å²	28	55.4 Å²	55.4	29%	0.289	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.3	13.2	-177.6	0	0	0	0	0	115.1	R162 E166 L167 F168 N309	R162-G164 PolarHBondContact O-N 2.89Å; G164-E166 PolarHBondContact O-N 2.67Å; G164-L167 PolarHBondContact O-N 2.89Å; G164-F168 PolarHBondContact O-N 3.5Å; G164-N309 PolarHBondContact O-ND2 2.96Å
165	Y	98.8	Very high	98.1	Very high	53 Å²	53	56.5 Å²	56.5	21%	0.208	28%	0.281	C	S	.	.	H	α-helix	trans	-59.2	-41.2	176.9	75.9	-88	0	0	0	113.3	L161 R162 L167 F168 F169 A197 V199	L161-Y165 HydrophobicContact CB-CD1 3.58Å; L161-Y165 HydrophobicContact CB-CD2 4.15Å; L161-Y165 HydrophobicContact CB-CE1 4.17Å; L161-Y165 HydrophobicContact CB-CG 3.57Å; L161-Y165 HydrophobicContact CD1-CD1 4.3Å; L161-Y165 HydrophobicContact CD1-CD2 3.37Å; L161-Y165 HydrophobicContact CD1-CE2 3.67Å; L161-Y165 HydrophobicContact CD1-CG 3.72Å; L161-Y165 HydrophobicContact CG-CD2 4.39Å; L161-Y165 HydrophobicContact CG-CG 4.28Å; R162-Y165 WeakPolarHBondContact O-CB 3.11Å; R162-Y165 WeakPolarHBondContact O-CD1 3.41Å; R162-Y165 PolarHBondContact O-N 2.76Å; Y165-L167 VanDerWaalsContact C-N 3.33Å; Y165-L167 PolarHBondContact O-N 2.61Å; Y165-F168 WeakPolarHBondContact O-CB 3.46Å; Y165-F168 PolarHBondContact O-N 2.76Å; Y165-F169 HydrophobicContact CD2-CD2 4.37Å; Y165-F169 VanDerWaalsContact O-CD2 3.28Å; Y165-F169 WeakPolarHBondContact O-CD2 3.35Å; Y165-F169 PolarHBondContact O-N 2.88Å; Y165-A197 HydrophobicContact CE2-CB 3.9Å; Y165-V199 HydrophobicContact CD2-CG1 3.88Å; Y165-V199 HydrophobicContact CD2-CG2 4.12Å; Y165-V199 HydrophobicContact CE2-CG1 3.8Å; Y165-V199 HydrophobicContact CE2-CG2 4.25Å
166	E	98.6	Very high	98	Very high	114 Å²	114	52.2 Å²	52.2	53%	0.533	28%	0.277	S	S	.	.	H	α-helix	trans	-56.2	-49.9	179.9	-63	170.1	128.7	0	0	110.3	G164 F168 F169 D170	G164-E166 PolarHBondContact O-N 2.67Å; E166-F168 VanDerWaalsContact C-N 3.29Å; E166-F168 PolarHBondContact O-N 3.34Å; E166-F169 PolarHBondContact O-N 3.44Å; E166-D170 WeakPolarHBondContact O-CB 3.35Å; E166-D170 PolarHBondContact O-N 3.47Å
167	L	98.4	Very high	98	Very high	83 Å²	83	47.3 Å²	47.3	44%	0.435	25%	0.254	S	S	.	.	H	α-helix	trans	-57.7	-42	176.4	177.6	60.8	0	0	0	112.2	G164 Y165 R171 N309	G164-L167 PolarHBondContact O-N 2.89Å; Y165-L167 VanDerWaalsContact C-N 3.33Å; Y165-L167 PolarHBondContact O-N 2.61Å; L167-R171 WeakPolarHBondContact O-CB 3.47Å; L167-R171 PolarHBondContact O-N 2.83Å; L167-N309 HydrophobicContact CD2-CB 4.03Å
168	F	98.8	Very high	98.1	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.3	-56.1	-179.5	177.8	-96.9	0	0	0	111.3	V65 L73 G164 Y165 E166 L172 L179 M255 L305 P308 N309 L312	V65-F168 HydrophobicContact CG1-CZ 4.04Å; L73-F168 HydrophobicContact CD2-CD1 4.38Å; L73-F168 HydrophobicContact CD2-CE1 3.92Å; L73-F168 HydrophobicContact CD2-CZ 4.44Å; G164-F168 PolarHBondContact O-N 3.5Å; Y165-F168 WeakPolarHBondContact O-CB 3.46Å; Y165-F168 PolarHBondContact O-N 2.76Å; E166-F168 VanDerWaalsContact C-N 3.29Å; E166-F168 PolarHBondContact O-N 3.34Å; F168-L172 HydrophobicContact CD1-CD1 3.98Å; F168-L172 HydrophobicContact CE1-CD1 3.56Å; F168-L172 HydrophobicContact CE2-CD1 4.15Å; F168-L172 HydrophobicContact CG-CD1 4.45Å; F168-L172 HydrophobicContact CZ-CD1 3.67Å; F168-L172 VanDerWaalsContact O-CG 3.26Å; F168-L172 WeakPolarHBondContact O-CG 3.42Å; F168-L172 PolarHBondContact O-N 3.47Å; F168-L172 VanDerWaalsContact O-N 3.17Å; F168-L179 HydrophobicContact CE1-CD1 4.39Å; F168-L179 HydrophobicContact CE1-CD2 4.05Å; F168-M255 HydrophobicContact CE2-CE 4.22Å; F168-M255 HydrophobicContact CE2-SD 3.76Å; F168-M255 HydrophobicContact CZ-CE 4.13Å; F168-M255 HydrophobicContact CZ-SD 3.74Å; F168-L305 HydrophobicContact CB-CD1 3.94Å; F168-L305 HydrophobicContact CD1-CD1 4.27Å; F168-L305 HydrophobicContact CD2-CD1 4.5Å; F168-L305 HydrophobicContact CG-CD1 4.01Å; F168-P308 HydrophobicContact CD2-CB 4.17Å; F168-P308 HydrophobicContact CE2-CB 4.06Å; F168-N309 WeakPolarHBondContact CA-OD1 3.29Å; F168-N309 VanDerWaalsContact CB-OD1 3.28Å; F168-N309 WeakPolarHBondContact CB-OD1 3.46Å; F168-N309 PolarHBondContact N-OD1 2.97Å; F168-N309 VanDerWaalsContact N-OD1 3.15Å; F168-L312 HydrophobicContact CD2-CD1 3.49Å; F168-L312 VanDerWaalsContact CD2-CD1 3.49Å; F168-L312 HydrophobicContact CE2-CD1 3.62Å; F168-L312 HydrophobicContact CG-CD1 4.44Å
169	F	98.8	Very high	98.1	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	23%	0.225	C	C	.	.	H	α-helix	trans	-64.6	-44.1	-178.4	-79.6	-85.7	0	0	0	111.8	L73 Y165 E166 L172 N173 L179 I181 I194 V199 V204	L73-F169 HydrophobicContact CD1-CZ 4.15Å; Y165-F169 HydrophobicContact CD2-CD2 4.37Å; Y165-F169 VanDerWaalsContact O-CD2 3.28Å; Y165-F169 WeakPolarHBondContact O-CD2 3.35Å; Y165-F169 PolarHBondContact O-N 2.88Å; E166-F169 PolarHBondContact O-N 3.44Å; F169-L172 PolarHBondContact O-N 3.23Å; F169-N173 WeakPolarHBondContact O-CB 3.49Å; F169-N173 PolarHBondContact O-N 3.05Å; F169-L179 HydrophobicContact CD1-CD2 3.76Å; F169-L179 HydrophobicContact CE1-CD2 3.42Å; F169-L179 VanDerWaalsContact CE1-CD2 3.42Å; F169-L179 HydrophobicContact CZ-CD2 4.2Å; F169-I181 HydrophobicContact CE1-CD1 4.18Å; F169-I181 HydrophobicContact CZ-CD1 4.33Å; F169-I194 HydrophobicContact CZ-CG2 4.22Å; F169-V199 HydrophobicContact CB-CB 3.65Å; F169-V199 HydrophobicContact CB-CG1 3.92Å; F169-V199 HydrophobicContact CD1-CB 4.08Å; F169-V199 HydrophobicContact CD1-CG2 4.3Å; F169-V199 WeakPolarHBondContact CD1-O 3.44Å; F169-V199 HydrophobicContact CD2-CB 3.89Å; F169-V199 HydrophobicContact CD2-CG1 4.31Å; F169-V199 HydrophobicContact CD2-CG2 3.83Å; F169-V199 HydrophobicContact CE1-CG2 4.46Å; F169-V199 HydrophobicContact CE2-CG2 4.04Å; F169-V199 HydrophobicContact CG-CB 3.63Å; F169-V199 HydrophobicContact CG-CG1 4.25Å; F169-V199 HydrophobicContact CG-CG2 3.99Å; F169-V199 HydrophobicContact CZ-CG2 4.36Å; F169-V204 HydrophobicContact CD1-CG2 4.13Å; F169-V204 HydrophobicContact CE1-CG2 4.33Å
170	D	98.4	Very high	98.2	Very high	58 Å²	58	41 Å²	41	31%	0.31	22%	0.215	S	C	.	.	H	α-helix	trans	-66.3	-42	-178	-70.8	-8.6	0	0	0	111.7	E166 N173 Q174 H201	E166-D170 WeakPolarHBondContact O-CB 3.35Å; E166-D170 PolarHBondContact O-N 3.47Å; D170-N173 PolarHBondContact O-N 3.48Å; D170-Q174 WeakPolarHBondContact O-CB 3.34Å; D170-Q174 WeakPolarHBondContact O-CG 3.33Å; D170-Q174 PolarHBondContact O-N 2.62Å; D170-H201 IonicContact OD1-CD2 3.26Å; D170-H201 IonicContact OD1-CE1 3.96Å; D170-H201 PolarHBondContact OD1-CE1 3.03Å; D170-H201 IonicContact OD1-NE2 3.65Å; D170-H201 PolarHBondContact OD1-NE2 2.96Å
171	R	97.9	Very high	98.2	Very high	17 Å²	17	38 Å²	38	6%	0.064	20%	0.2	C	C	.	.	H	α-helix	trans	-63.3	-43.6	177.3	179.9	170.1	-70.9	-81.7	-13.3	111.6	L167 N173 Q174 H175 T316 G317	L167-R171 WeakPolarHBondContact O-CB 3.47Å; L167-R171 PolarHBondContact O-N 2.83Å; R171-N173 VanDerWaalsContact C-N 3.31Å; R171-N173 PolarHBondContact O-N 3.44Å; R171-Q174 PolarHBondContact O-N 2.93Å; R171-H175 PolarHBondContact O-CD2 3.44Å; R171-H175 PolarHBondContact O-N 3.16Å; R171-H175 VanDerWaalsContact O-N 3.15Å; R171-T316 PolarHBondContact NH1-OG1 2.63Å; R171-G317 PolarHBondContact NH1-O 2.65Å; R171-G317 VanDerWaalsContact NH1-O 3.15Å
172	L	98.4	Very high	98.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60	-44.5	175.9	-67.5	174.8	0	0	0	111.1	V65 F168 F169 H175 A176 I177 L179 L312	V65-L172 HydrophobicContact CB-CD1 4.45Å; V65-L172 HydrophobicContact CG2-CD1 4.19Å; V65-L172 HydrophobicContact CG2-CD2 3.56Å; F168-L172 HydrophobicContact CD1-CD1 3.98Å; F168-L172 HydrophobicContact CE1-CD1 3.56Å; F168-L172 HydrophobicContact CE2-CD1 4.15Å; F168-L172 HydrophobicContact CG-CD1 4.45Å; F168-L172 HydrophobicContact CZ-CD1 3.67Å; F168-L172 VanDerWaalsContact O-CG 3.26Å; F168-L172 WeakPolarHBondContact O-CG 3.42Å; F168-L172 PolarHBondContact O-N 3.47Å; F168-L172 VanDerWaalsContact O-N 3.17Å; F169-L172 PolarHBondContact O-N 3.23Å; L172-H175 PolarHBondContact O-N 2.72Å; L172-A176 PolarHBondContact O-N 2.78Å; L172-A176 VanDerWaalsContact O-N 3.12Å; L172-I177 HydrophobicContact CB-CB 4.4Å; L172-I177 HydrophobicContact CD2-CB 3.75Å; L172-I177 HydrophobicContact CD2-CD1 4.02Å; L172-I177 HydrophobicContact CD2-CG2 3.59Å; L172-I177 PolarHBondContact O-N 3.36Å; L172-L179 HydrophobicContact CD1-CB 4.17Å; L172-L179 HydrophobicContact CD1-CD1 4.37Å; L172-L179 HydrophobicContact CD1-CD2 4.12Å; L172-L179 HydrophobicContact CD1-CG 4.45Å; L172-L312 HydrophobicContact CD1-CD1 4.47Å; L172-L312 HydrophobicContact CD2-CD1 3.76Å; L172-L312 HydrophobicContact CD2-CD2 3.74Å; L172-L312 HydrophobicContact CD2-CG 4.42Å; L172-L312 HydrophobicContact CG-CD1 3.99Å
173	N	98.3	Very high	98	Very high	57 Å²	57	37.2 Å²	37.2	31%	0.305	20%	0.196	S	C	.	.	H	α-helix	trans	-65.2	-46.1	178.3	-174.8	39	0	0	0	112.5	F169 D170 R171 H175 A176 H201 N203	F169-N173 WeakPolarHBondContact O-CB 3.49Å; F169-N173 PolarHBondContact O-N 3.05Å; D170-N173 PolarHBondContact O-N 3.48Å; R171-N173 VanDerWaalsContact C-N 3.31Å; R171-N173 PolarHBondContact O-N 3.44Å; N173-H175 PolarHBondContact O-N 3.44Å; N173-A176 PolarHBondContact O-N 3.26Å; N173-H201 HydrophobicContact CB-CB 3.85Å; N173-N203 WeakPolarHBondContact CB-OD1 3.42Å; N173-N203 PolarHBondContact N-ND2 2.93Å; N173-N203 PolarHBondContact OD1-OD1 3Å
174	Q	97.3	Very high	97.9	Very high	133 Å²	133	32.1 Å²	32.1	62%	0.621	18%	0.175	S	C	*	.	H	α-helix	trans	-57	-36.7	178.7	-76.1	169.5	16.5	0	0	112.8	D170 R171	D170-Q174 WeakPolarHBondContact O-CB 3.34Å; D170-Q174 WeakPolarHBondContact O-CG 3.33Å; D170-Q174 PolarHBondContact O-N 2.62Å; R171-Q174 PolarHBondContact O-N 2.93Å
175	H	96.7	Very high	97.8	Very high	33 Å²	33	30.9 Å²	30.9	15%	0.153	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	8.2	178.2	-71.4	-88.7	0	0	0	113.5	R171 L172 N173 I177 T316 N319	R171-H175 PolarHBondContact O-CD2 3.44Å; R171-H175 PolarHBondContact O-N 3.16Å; R171-H175 VanDerWaalsContact O-N 3.15Å; L172-H175 PolarHBondContact O-N 2.72Å; N173-H175 PolarHBondContact O-N 3.44Å; H175-I177 HydrophobicContact CB-CD1 3.76Å; H175-I177 HydrophobicContact CB-CG1 3.9Å; H175-I177 PolarHBondContact O-N 3.3Å; H175-I177 VanDerWaalsContact O-N 3.15Å; H175-T316 HydrophobicContact CB-CG2 4.24Å; H175-N319 PolarHBondContact CE1-ND2 3.43Å
176	A	96.8	Very high	97.7	Very high	59 Å²	59	28.3 Å²	28.3	49%	0.488	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	38.4	-175.8	0	0	0	0	0	112.7	L172 N173 P178 R249	L172-A176 PolarHBondContact O-N 2.78Å; L172-A176 VanDerWaalsContact O-N 3.12Å; N173-A176 PolarHBondContact O-N 3.26Å; A176-P178 WeakPolarHBondContact O-CD 3.27Å; A176-R249 PolarHBondContact O-NH2 2.87Å
177	I	97.8	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.			trans	-83.3	119.3	175.5	-63	164.5	0	0	0	107.4	L63 V65 L172 H175 L179 N203 T316	L63-I177 HydrophobicContact CB-CG2 4.48Å; L63-I177 HydrophobicContact CD2-CD1 4.22Å; L63-I177 HydrophobicContact CD2-CG2 4.41Å; L63-I177 HydrophobicContact CG-CG2 4.28Å; V65-I177 HydrophobicContact CG2-CG2 3.95Å; L172-I177 HydrophobicContact CB-CB 4.4Å; L172-I177 HydrophobicContact CD2-CB 3.75Å; L172-I177 HydrophobicContact CD2-CD1 4.02Å; L172-I177 HydrophobicContact CD2-CG2 3.59Å; L172-I177 PolarHBondContact O-N 3.36Å; H175-I177 HydrophobicContact CB-CD1 3.76Å; H175-I177 HydrophobicContact CB-CG1 3.9Å; H175-I177 PolarHBondContact O-N 3.3Å; H175-I177 VanDerWaalsContact O-N 3.15Å; I177-L179 PolarHBondContact O-N 3.4Å; I177-N203 PolarHBondContact O-ND2 2.87Å; I177-T316 HydrophobicContact CD1-CG2 3.65Å
178	P	98	Very high	97.7	Very high	17 Å²	17	19.9 Å²	19.9	11%	0.11	11%	0.112	C	C	.	.			trans	-61.6	132.6	177.3	-21.4	32.6	0	0	0	111	V65 A176 L246 R249	V65-P178 PolarHBondContact N-O 2.86Å; A176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-L246 HydrophobicContact CB-CD1 3.84Å; P178-L246 HydrophobicContact CB-CD2 3.97Å; P178-L246 HydrophobicContact CG-CD1 4.24Å; P178-L246 HydrophobicContact CG-CD2 3.55Å; P178-R249 VanDerWaalsContact CD-CZ 3.48Å
179	L	98.4	Very high	97.7	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	113.6	169	174.4	59.2	0	0	0	108.5	V65 F168 F169 L172 I177 I181 N203 V204 K205	V65-L179 HydrophobicContact CB-CD1 3.85Å; V65-L179 HydrophobicContact CG1-CD1 3.62Å; V65-L179 WeakPolarHBondContact O-CA 3.36Å; F168-L179 HydrophobicContact CE1-CD1 4.39Å; F168-L179 HydrophobicContact CE1-CD2 4.05Å; F169-L179 HydrophobicContact CD1-CD2 3.76Å; F169-L179 HydrophobicContact CE1-CD2 3.42Å; F169-L179 VanDerWaalsContact CE1-CD2 3.42Å; F169-L179 HydrophobicContact CZ-CD2 4.2Å; L172-L179 HydrophobicContact CD1-CB 4.17Å; L172-L179 HydrophobicContact CD1-CD1 4.37Å; L172-L179 HydrophobicContact CD1-CD2 4.12Å; L172-L179 HydrophobicContact CD1-CG 4.45Å; I177-L179 PolarHBondContact O-N 3.4Å; L179-I181 HydrophobicContact CD1-CG1 4.44Å; L179-I181 HydrophobicContact CD2-CD1 4.32Å; L179-I181 HydrophobicContact CD2-CG1 4.13Å; L179-I181 HydrophobicContact CG-CG1 3.99Å; L179-N203 PolarHBondContact N-O 3.17Å; L179-V204 HydrophobicContact CB-CG2 4.34Å; L179-V204 HydrophobicContact CD2-CG1 4.33Å; L179-V204 HydrophobicContact CD2-CG2 4.15Å; L179-V204 HydrophobicContact CG-CG1 4.45Å; L179-V204 CarbonylContact O-C 3.59Å; L179-V204 WeakPolarHBondContact O-CA 3.15Å; L179-K205 PolarHBondContact O-N 3.48Å
180	L	97.8	Very high	97.7	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	113.9	166.4	178.6	61.9	0	0	0	109.1	V65 I66 S67 F182 K205 I207 F243	V65-L180 PolarHBondContact O-N 2.98Å; I66-L180 CarbonylContact C-O 3.53Å; I66-L180 WeakPolarHBondContact CA-O 3.42Å; I66-L180 HydrophobicContact CG1-CB 4.34Å; I66-L180 HydrophobicContact CG1-CD2 4.49Å; I66-L180 HydrophobicContact CG2-CD2 4.29Å; S67-L180 PolarHBondContact N-O 2.92Å; L180-F182 HydrophobicContact CG-CB 4.46Å; L180-K205 CarbonylContact C-O 3.59Å; L180-K205 WeakPolarHBondContact CA-O 3.49Å; L180-K205 HydrophobicContact CD1-CB 4.16Å; L180-K205 HydrophobicContact CD1-CD 4.47Å; L180-K205 HydrophobicContact CD1-CG 4.26Å; L180-I207 HydrophobicContact CD1-CB 4.49Å; L180-I207 HydrophobicContact CD1-CD1 3.7Å; L180-I207 HydrophobicContact CD1-CG1 3.84Å; L180-I207 HydrophobicContact CD2-CD1 4.17Å; L180-I207 HydrophobicContact CG-CD1 4.48Å; L180-F243 HydrophobicContact CD2-CE1 4.01Å; L180-F243 HydrophobicContact CD2-CZ 3.67Å
181	I	98.3	Very high	97.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	115.3	167.5	-52.2	179.1	0	0	0	107.7	S67 F69 L73 F169 L179 L190 I194 V204 K205 V206 I207	S67-I181 CarbonylContact O-C 3.43Å; S67-I181 VanDerWaalsContact O-CA 3.31Å; S67-I181 WeakPolarHBondContact O-CA 3.48Å; F69-I181 HydrophobicContact CB-CG2 3.7Å; F69-I181 HydrophobicContact CD2-CG2 4.1Å; F69-I181 HydrophobicContact CG-CG2 4.29Å; L73-I181 HydrophobicContact CD1-CD1 4Å; L73-I181 HydrophobicContact CD1-CG1 4.13Å; L73-I181 HydrophobicContact CD1-CG2 4.37Å; F169-I181 HydrophobicContact CE1-CD1 4.18Å; F169-I181 HydrophobicContact CZ-CD1 4.33Å; L179-I181 HydrophobicContact CD1-CG1 4.44Å; L179-I181 HydrophobicContact CD2-CD1 4.32Å; L179-I181 HydrophobicContact CD2-CG1 4.13Å; L179-I181 HydrophobicContact CG-CG1 3.99Å; I181-L190 HydrophobicContact CD1-CD2 4.38Å; I181-L190 HydrophobicContact CG2-CD1 3.84Å; I181-L190 HydrophobicContact CG2-CD2 4.48Å; I181-I194 HydrophobicContact CD1-CD1 4.18Å; I181-V204 HydrophobicContact CD1-CG1 3.73Å; I181-V204 HydrophobicContact CG1-CG1 4.05Å; I181-K205 PolarHBondContact N-O 3.15Å; I181-V206 HydrophobicContact CB-CG2 4.29Å; I181-V206 HydrophobicContact CD1-CG2 4.44Å; I181-V206 CarbonylContact O-C 3.59Å; I181-V206 WeakPolarHBondContact O-CA 3.3Å; I181-I207 PolarHBondContact O-N 2.83Å
182	F	96.6	Very high	97.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	96.9	-177.8	-169.1	-179.4	0	0	0	110.3	S67 L180 I207 I227 K232 A236 M264	S67-F182 PolarHBondContact O-N 2.98Å; L180-F182 HydrophobicContact CG-CB 4.46Å; F182-I207 WeakPolarHBondContact CA-O 3.22Å; F182-I207 HydrophobicContact CD2-CB 3.86Å; F182-I207 HydrophobicContact CD2-CG2 3.61Å; F182-I207 HydrophobicContact CE2-CB 4.29Å; F182-I207 HydrophobicContact CE2-CG2 3.53Å; F182-I207 HydrophobicContact CG-CB 4.35Å; F182-I207 HydrophobicContact CG-CG2 4.44Å; F182-I207 HydrophobicContact CZ-CG2 4.28Å; F182-I227 HydrophobicContact CE2-CD1 3.97Å; F182-I227 HydrophobicContact CE2-CG1 4.33Å; F182-I227 HydrophobicContact CE2-CG2 3.85Å; F182-K232 HydrophobicContact CE1-CB 4.17Å; F182-K232 WeakPolarHBondContact CE1-O 3.48Å; F182-K232 HydrophobicContact CZ-CB 4.1Å; F182-K232 HydrophobicContact CZ-CG 4.44Å; F182-K232 VanDerWaalsContact CZ-O 3.23Å; F182-K232 WeakPolarHBondContact CZ-O 3.33Å; F182-K232 PolarHBondContact O-NZ 3.31Å; F182-A236 HydrophobicContact CE1-CB 3.95Å; F182-M264 HydrophobicContact CB-CG 4.38Å; F182-M264 HydrophobicContact CB-SD 3.89Å; F182-M264 HydrophobicContact CD1-CB 3.93Å; F182-M264 HydrophobicContact CD1-CG 3.84Å; F182-M264 HydrophobicContact CD1-SD 4.42Å; F182-M264 HydrophobicContact CE1-CG 4.45Å; F182-M264 HydrophobicContact CG-CG 4.31Å; F182-M264 HydrophobicContact CG-SD 4.34Å; F182-M264 VanDerWaalsContact O-SD 3.34Å
183	S	97.1	Very high	97.8	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	138	-168	178.3	0	0	0	0	112.5	G185 I207 S208	S183-G185 PolarHBondContact O-N 3.18Å; S183-G185 PolarHBondContact OG-N 2.63Å; S183-I207 PolarHBondContact N-O 3.02Å; S183-S208 VanDerWaalsContact O-CA 3.24Å; S183-S208 WeakPolarHBondContact O-CA 3.32Å; S183-S208 WeakPolarHBondContact O-CB 3.32Å; S183-S208 PolarHBondContact O-OG 3.2Å
184	A	95.8	Very high	97.8	Very high	18 Å²	18	18.2 Å²	18.2	15%	0.149	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	0.6	166.8	0	0	0	0	0	113.4	N209 I227	A184-N209 PolarHBondContact O-ND2 2.97Å; A184-I227 HydrophobicContact CB-CG2 4.21Å
185	G	96.4	Very high	97.9	Very high	2 Å²	2	17.7 Å²	17.7	2%	0.021	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	-152.8	176.7	0	0	0	0	0	113.5	S183 S208 N209	S183-G185 PolarHBondContact O-N 3.18Å; S183-G185 PolarHBondContact OG-N 2.63Å; G185-S208 PolarHBondContact O-OG 3.03Å; G185-S208 VanDerWaalsContact O-OG 3.1Å; G185-N209 VanDerWaalsContact O-CB 3.31Å; G185-N209 WeakPolarHBondContact O-CB 3.4Å; G185-N209 PolarHBondContact O-ND2 3.22Å
186	I	98.1	Very high	98	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	116.7	176.9	-59.2	176.4	0	0	0	109	C86 H87 L90 L140 D188 I189 L190 M211 F222	C86-I186 HydrophobicContact CB-CB 4.27Å; H87-I186 HydrophobicContact CB-CD1 4.5Å; L90-I186 HydrophobicContact CB-CD1 4.43Å; L90-I186 HydrophobicContact CD2-CD1 3.76Å; L140-I186 HydrophobicContact CD1-CD1 4.26Å; I186-D188 PolarHBondContact O-N 3.45Å; I186-I189 HydrophobicContact CB-CB 4.17Å; I186-I189 HydrophobicContact CB-CG1 4.14Å; I186-I189 HydrophobicContact CG2-CB 4.19Å; I186-I189 HydrophobicContact CG2-CG1 3.86Å; I186-I189 PolarHBondContact O-N 3.25Å; I186-L190 WeakPolarHBondContact O-CB 3.47Å; I186-L190 PolarHBondContact O-N 3.15Å; I186-M211 HydrophobicContact CD1-CE 4.06Å; I186-M211 HydrophobicContact CG2-CE 3.71Å; I186-M211 HydrophobicContact CG2-CG 4.26Å; I186-M211 HydrophobicContact CG2-SD 4.33Å; I186-F222 HydrophobicContact CG1-CE1 4.31Å; I186-F222 HydrophobicContact CG2-CE1 4.31Å
187	G	98.2	Very high	98	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.1	-45.8	-174.8	0	0	0	0	0	113.8	I189 L190 E191 S208 N209	G187-I189 VanDerWaalsContact C-N 3.32Å; G187-I189 PolarHBondContact O-N 3.03Å; G187-L190 WeakPolarHBondContact O-CB 3.19Å; G187-L190 PolarHBondContact O-N 2.8Å; G187-E191 WeakPolarHBondContact O-CB 3.31Å; G187-E191 WeakPolarHBondContact O-CG 3.42Å; G187-E191 PolarHBondContact O-N 3.21Å; G187-S208 PolarHBondContact N-OG 2.92Å; G187-N209 PolarHBondContact N-O 3.22Å
188	D	98.5	Very high	98.1	Very high	20 Å²	20	24 Å²	24	11%	0.107	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-35.5	-179.6	-58.4	-106.8	0	0	0	112.8	L150 I186 E192 Y210 M211	L150-D188 HydrophobicContact CD1-CB 3.56Å; I186-D188 PolarHBondContact O-N 3.45Å; D188-E192 VanDerWaalsContact O-CB 3.32Å; D188-E192 WeakPolarHBondContact O-CB 3.39Å; D188-E192 PolarHBondContact O-N 2.98Å; D188-Y210 WeakPolarHBondContact OD2-CA 3.46Å; D188-Y210 WeakPolarHBondContact OD2-CD1 3.4Å; D188-M211 WeakPolarHBondContact OD2-CB 3.35Å; D188-M211 PolarHBondContact OD2-N 2.9Å
189	I	98.6	Very high	98.1	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-70.7	-47	175.4	-68.1	-67.4	0	0	0	110.2	C86 I89 L150 V154 I186 G187 E191 E192 V193	C86-I189 HydrophobicContact CB-CB 4.26Å; C86-I189 HydrophobicContact CB-CG2 3.93Å; I89-I189 HydrophobicContact CB-CG2 4.07Å; I89-I189 HydrophobicContact CD1-CG2 3.74Å; I89-I189 HydrophobicContact CG2-CD1 4.33Å; I89-I189 HydrophobicContact CG2-CG2 4.04Å; L150-I189 HydrophobicContact CB-CD1 4.12Å; L150-I189 HydrophobicContact CD2-CD1 3.88Å; L150-I189 HydrophobicContact CG-CD1 4.43Å; V154-I189 HydrophobicContact CG2-CD1 4.14Å; V154-I189 HydrophobicContact CG2-CG2 4.09Å; I186-I189 HydrophobicContact CB-CB 4.17Å; I186-I189 HydrophobicContact CB-CG1 4.14Å; I186-I189 HydrophobicContact CG2-CB 4.19Å; I186-I189 HydrophobicContact CG2-CG1 3.86Å; I186-I189 PolarHBondContact O-N 3.25Å; G187-I189 VanDerWaalsContact C-N 3.32Å; G187-I189 PolarHBondContact O-N 3.03Å; I189-E191 PolarHBondContact O-N 3.07Å; I189-E192 PolarHBondContact O-N 2.81Å; I189-V193 HydrophobicContact CG2-CG2 4.41Å; I189-V193 WeakPolarHBondContact O-CG2 3.01Å; I189-V193 PolarHBondContact O-N 2.78Å
190	L	98.7	Very high	98.1	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-54.5	-53.4	177	178.6	167.9	0	0	0	110.9	F69 I181 I186 G187 E192 V193 I194 V206	F69-L190 HydrophobicContact CB-CD1 3.6Å; F69-L190 HydrophobicContact CB-CG 4.24Å; F69-L190 HydrophobicContact CD1-CB 4.14Å; F69-L190 HydrophobicContact CD1-CD1 3.81Å; F69-L190 HydrophobicContact CD1-CG 3.61Å; F69-L190 HydrophobicContact CD2-CD1 4.05Å; F69-L190 HydrophobicContact CD2-CD2 4.3Å; F69-L190 HydrophobicContact CD2-CG 3.78Å; F69-L190 HydrophobicContact CE1-CB 4.1Å; F69-L190 HydrophobicContact CE1-CD1 4.48Å; F69-L190 HydrophobicContact CE1-CG 3.78Å; F69-L190 HydrophobicContact CE2-CD2 4.36Å; F69-L190 HydrophobicContact CE2-CG 3.97Å; F69-L190 HydrophobicContact CG-CD1 3.54Å; F69-L190 HydrophobicContact CG-CG 3.59Å; F69-L190 HydrophobicContact CZ-CG 3.95Å; I181-L190 HydrophobicContact CD1-CD2 4.38Å; I181-L190 HydrophobicContact CG2-CD1 3.84Å; I181-L190 HydrophobicContact CG2-CD2 4.48Å; I186-L190 WeakPolarHBondContact O-CB 3.47Å; I186-L190 PolarHBondContact O-N 3.15Å; G187-L190 WeakPolarHBondContact O-CB 3.19Å; G187-L190 PolarHBondContact O-N 2.8Å; L190-E192 PolarHBondContact O-N 3.36Å; L190-V193 WeakPolarHBondContact O-CB 3.26Å; L190-V193 PolarHBondContact O-N 2.73Å; L190-V193 VanDerWaalsContact O-N 3.14Å; L190-I194 HydrophobicContact CD2-CD1 3.98Å; L190-I194 HydrophobicContact CD2-CG1 4.37Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 3.29Å; L190-I194 VanDerWaalsContact O-N 3.1Å; L190-V206 HydrophobicContact CD1-CG1 3.94Å; L190-V206 HydrophobicContact CD2-CB 4.43Å; L190-V206 HydrophobicContact CD2-CG1 3.79Å; L190-V206 HydrophobicContact CD2-CG2 3.72Å; L190-V206 HydrophobicContact CG-CG1 4.44Å
191	E	98.7	Very high	98.1	Very high	49 Å²	49	27.1 Å²	27.1	23%	0.229	13%	0.134	C	C	.	.	H	α-helix	trans	-57.7	-41	179.5	-77.1	-159.8	170.5	0	0	111.4	G187 I189 I194 R195 F200 V206 Y210	G187-E191 WeakPolarHBondContact O-CB 3.31Å; G187-E191 WeakPolarHBondContact O-CG 3.42Å; G187-E191 PolarHBondContact O-N 3.21Å; I189-E191 PolarHBondContact O-N 3.07Å; E191-I194 VanDerWaalsContact O-CG1 3.31Å; E191-I194 WeakPolarHBondContact O-CG1 3.4Å; E191-I194 PolarHBondContact O-N 2.84Å; E191-R195 WeakPolarHBondContact O-CB 3.26Å; E191-R195 PolarHBondContact O-N 3.15Å; E191-R195 IonicContact OE2-NH2 2.78Å; E191-F200 HydrophobicContact CB-CD1 4.34Å; E191-F200 HydrophobicContact CB-CE1 3.74Å; E191-F200 VanDerWaalsContact CD-CE1 3.44Å; E191-F200 HydrophobicContact CG-CD1 4.49Å; E191-F200 HydrophobicContact CG-CE1 3.51Å; E191-F200 HydrophobicContact CG-CZ 3.83Å; E191-V206 HydrophobicContact CG-CG2 4.3Å; E191-Y210 HydrophobicContact CG-CE1 4.39Å; E191-Y210 PolarHBondContact OE1-OH 3.4Å; E191-Y210 VanDerWaalsContact OE1-OH 3.06Å
192	E	98.8	Very high	98.1	Very high	39 Å²	39	33.2 Å²	33.2	18%	0.182	17%	0.173	C	C	.	.	H	α-helix	trans	-68.6	-36.5	179	-173.6	60.8	-160.2	0	0	112.1	A151 V154 D188 I189 L190 R195 Q196	A151-E192 HydrophobicContact CB-CG 4.26Å; A151-E192 WeakPolarHBondContact CB-OE1 3.39Å; V154-E192 HydrophobicContact CB-CG 4.04Å; V154-E192 HydrophobicContact CG1-CG 4.33Å; V154-E192 HydrophobicContact CG2-CB 4.02Å; V154-E192 HydrophobicContact CG2-CG 3.87Å; D188-E192 VanDerWaalsContact O-CB 3.32Å; D188-E192 WeakPolarHBondContact O-CB 3.39Å; D188-E192 PolarHBondContact O-N 2.98Å; I189-E192 PolarHBondContact O-N 2.81Å; L190-E192 PolarHBondContact O-N 3.36Å; E192-R195 PolarHBondContact O-N 3.3Å; E192-Q196 HydrophobicContact CG-CG 4.49Å; E192-Q196 WeakPolarHBondContact O-CB 3.14Å; E192-Q196 WeakPolarHBondContact O-CG 3.37Å; E192-Q196 PolarHBondContact O-N 3.09Å; E192-Q196 WeakPolarHBondContact OE1-CG 3.48Å; E192-Q196 PolarHBondContact OE1-NE2 2.66Å
193	V	98.8	Very high	98.2	Very high	11 Å²	11	34.5 Å²	34.5	7%	0.067	18%	0.18	C	C	.	.	H	α-helix	trans	-59.1	-53.4	172.5	171.6	0	0	0	0	110.6	F69 I89 V154 L161 I189 L190 R195 Q196 A197	F69-V193 HydrophobicContact CZ-CB 4.02Å; F69-V193 HydrophobicContact CZ-CG1 3.81Å; I89-V193 HydrophobicContact CD1-CG2 3.79Å; V154-V193 HydrophobicContact CG1-CB 4.39Å; V154-V193 HydrophobicContact CG1-CG2 3.77Å; V154-V193 HydrophobicContact CG2-CG2 4.02Å; L161-V193 HydrophobicContact CD2-CG1 4.43Å; L161-V193 HydrophobicContact CG-CG1 4.49Å; I189-V193 HydrophobicContact CG2-CG2 4.41Å; I189-V193 WeakPolarHBondContact O-CG2 3.01Å; I189-V193 PolarHBondContact O-N 2.78Å; L190-V193 WeakPolarHBondContact O-CB 3.26Å; L190-V193 PolarHBondContact O-N 2.73Å; L190-V193 VanDerWaalsContact O-N 3.14Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 3.43Å; V193-Q196 PolarHBondContact O-N 3.17Å; V193-A197 WeakPolarHBondContact O-CB 3.2Å; V193-A197 PolarHBondContact O-N 2.8Å
194	I	98.7	Very high	98.2	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-71.7	-25.3	-178.2	59.7	171.6	0	0	0	112.7	F69 F169 I181 L190 E191 N198 V199 F200 V204 V206	F69-I194 HydrophobicContact CE2-CG2 3.63Å; F69-I194 HydrophobicContact CZ-CG2 4.13Å; F169-I194 HydrophobicContact CZ-CG2 4.22Å; I181-I194 HydrophobicContact CD1-CD1 4.18Å; L190-I194 HydrophobicContact CD2-CD1 3.98Å; L190-I194 HydrophobicContact CD2-CG1 4.37Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 3.29Å; L190-I194 VanDerWaalsContact O-N 3.1Å; E191-I194 VanDerWaalsContact O-CG1 3.31Å; E191-I194 WeakPolarHBondContact O-CG1 3.4Å; E191-I194 PolarHBondContact O-N 2.84Å; I194-N198 PolarHBondContact O-N 3.04Å; I194-V199 HydrophobicContact CB-CG2 4.05Å; I194-V199 HydrophobicContact CG2-CG2 4.38Å; I194-V199 PolarHBondContact O-N 3.17Å; I194-F200 HydrophobicContact CB-CB 4.42Å; I194-F200 HydrophobicContact CD1-CB 3.98Å; I194-F200 HydrophobicContact CD1-CD1 3.94Å; I194-F200 HydrophobicContact CD1-CD2 3.65Å; I194-F200 HydrophobicContact CD1-CE1 4.33Å; I194-F200 HydrophobicContact CD1-CE2 4.05Å; I194-F200 HydrophobicContact CD1-CG 3.59Å; I194-F200 HydrophobicContact CD1-CZ 4.38Å; I194-F200 HydrophobicContact CG1-CB 3.88Å; I194-F200 HydrophobicContact CG1-CD1 3.99Å; I194-F200 HydrophobicContact CG1-CD2 4.44Å; I194-F200 HydrophobicContact CG1-CG 3.87Å; I194-F200 PolarHBondContact O-N 3.11Å; I194-V204 HydrophobicContact CD1-CG1 4.3Å; I194-V206 HydrophobicContact CD1-CG2 4.4Å
195	R	98.6	Very high	98.3	Very high	122 Å²	122	38 Å²	38	46%	0.46	19%	0.193	S	C	.	.	H	α-helix	trans	-71	-47.2	173.7	-172.4	-179	-53.4	-67.5	-1.1	111.6	E191 E192 V193 A197 N198 F200	E191-R195 WeakPolarHBondContact O-CB 3.26Å; E191-R195 PolarHBondContact O-N 3.15Å; E191-R195 IonicContact OE2-NH2 2.78Å; E192-R195 PolarHBondContact O-N 3.3Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 3.43Å; R195-A197 PolarHBondContact O-N 2.9Å; R195-N198 PolarHBondContact O-N 2.7Å; R195-F200 HydrophobicContact CB-CD1 4.44Å; R195-F200 VanDerWaalsContact NH2-CE1 3.28Å
196	Q	98.5	Very high	98.3	Very high	68 Å²	68	38.5 Å²	38.5	32%	0.318	20%	0.196	S	C	.	.	H	α-helix	trans	-66	-29	176.2	-69.9	-171	27.9	0	0	112.1	A151 E192 V193 N198	A151-Q196 PolarHBondContact O-NE2 3.47Å; E192-Q196 HydrophobicContact CG-CG 4.49Å; E192-Q196 WeakPolarHBondContact O-CB 3.14Å; E192-Q196 WeakPolarHBondContact O-CG 3.37Å; E192-Q196 PolarHBondContact O-N 3.09Å; E192-Q196 WeakPolarHBondContact OE1-CG 3.48Å; E192-Q196 PolarHBondContact OE1-NE2 2.66Å; V193-Q196 PolarHBondContact O-N 3.17Å; Q196-N198 PolarHBondContact O-N 3.15Å
197	A	98.5	Very high	98.1	Very high	20 Å²	20	39.1 Å²	39.1	17%	0.165	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.2	171.2	0	0	0	0	0	114.2	L161 Y165 V193 R195 V199	L161-A197 HydrophobicContact CD1-CB 3.7Å; Y165-A197 HydrophobicContact CE2-CB 3.9Å; V193-A197 WeakPolarHBondContact O-CB 3.2Å; V193-A197 PolarHBondContact O-N 2.8Å; R195-A197 PolarHBondContact O-N 2.9Å; A197-V199 VanDerWaalsContact C-N 3.26Å; A197-V199 HydrophobicContact CB-CG2 3.97Å; A197-V199 PolarHBondContact O-N 2.84Å
198	N	98.5	Very high	98	Very high	135 Å²	135	39.6 Å²	39.6	72%	0.722	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	28.4	-179.9	-56.2	-67.4	0	0	0	115.4	I194 R195 Q196	I194-N198 PolarHBondContact O-N 3.04Å; R195-N198 PolarHBondContact O-N 2.7Å; Q196-N198 PolarHBondContact O-N 3.15Å
199	V	98.6	Very high	98	Very high	3 Å²	3	38.7 Å²	38.7	2%	0.018	20%	0.197	C	C	.	.			trans	-117.8	8.2	-178.5	-67.6	0	0	0	0	113.6	L161 Y165 F169 I194 A197 H201	L161-V199 HydrophobicContact CD1-CG2 4.21Å; Y165-V199 HydrophobicContact CD2-CG1 3.88Å; Y165-V199 HydrophobicContact CD2-CG2 4.12Å; Y165-V199 HydrophobicContact CE2-CG1 3.8Å; Y165-V199 HydrophobicContact CE2-CG2 4.25Å; F169-V199 HydrophobicContact CB-CB 3.65Å; F169-V199 HydrophobicContact CB-CG1 3.92Å; F169-V199 HydrophobicContact CD1-CB 4.08Å; F169-V199 HydrophobicContact CD1-CG2 4.3Å; F169-V199 WeakPolarHBondContact CD1-O 3.44Å; F169-V199 HydrophobicContact CD2-CB 3.89Å; F169-V199 HydrophobicContact CD2-CG1 4.31Å; F169-V199 HydrophobicContact CD2-CG2 3.83Å; F169-V199 HydrophobicContact CE1-CG2 4.46Å; F169-V199 HydrophobicContact CE2-CG2 4.04Å; F169-V199 HydrophobicContact CG-CB 3.63Å; F169-V199 HydrophobicContact CG-CG1 4.25Å; F169-V199 HydrophobicContact CG-CG2 3.99Å; F169-V199 HydrophobicContact CZ-CG2 4.36Å; I194-V199 HydrophobicContact CB-CG2 4.05Å; I194-V199 HydrophobicContact CG2-CG2 4.38Å; I194-V199 PolarHBondContact O-N 3.17Å; A197-V199 VanDerWaalsContact C-N 3.26Å; A197-V199 HydrophobicContact CB-CG2 3.97Å; A197-V199 PolarHBondContact O-N 2.84Å; V199-H201 PolarHBondContact O-CD2 2.94Å; V199-H201 PolarHBondContact O-N 2.72Å
200	F	98.6	Very high	97.9	Very high	50 Å²	50	41.2 Å²	41.2	22%	0.219	21%	0.207	C	C	.	.			trans	-78.6	71	173.9	-160.5	176.6	0	0	0	111.8	E191 I194 R195 V204 V206	E191-F200 HydrophobicContact CB-CD1 4.34Å; E191-F200 HydrophobicContact CB-CE1 3.74Å; E191-F200 VanDerWaalsContact CD-CE1 3.44Å; E191-F200 HydrophobicContact CG-CD1 4.49Å; E191-F200 HydrophobicContact CG-CE1 3.51Å; E191-F200 HydrophobicContact CG-CZ 3.83Å; I194-F200 HydrophobicContact CB-CB 4.42Å; I194-F200 HydrophobicContact CD1-CB 3.98Å; I194-F200 HydrophobicContact CD1-CD1 3.94Å; I194-F200 HydrophobicContact CD1-CD2 3.65Å; I194-F200 HydrophobicContact CD1-CE1 4.33Å; I194-F200 HydrophobicContact CD1-CE2 4.05Å; I194-F200 HydrophobicContact CD1-CG 3.59Å; I194-F200 HydrophobicContact CD1-CZ 4.38Å; I194-F200 HydrophobicContact CG1-CB 3.88Å; I194-F200 HydrophobicContact CG1-CD1 3.99Å; I194-F200 HydrophobicContact CG1-CD2 4.44Å; I194-F200 HydrophobicContact CG1-CG 3.87Å; I194-F200 PolarHBondContact O-N 3.11Å; R195-F200 HydrophobicContact CB-CD1 4.44Å; R195-F200 VanDerWaalsContact NH2-CE1 3.28Å; F200-V204 HydrophobicContact CD2-CB 3.98Å; F200-V204 HydrophobicContact CD2-CG1 4.17Å; F200-V204 HydrophobicContact CE2-CB 4.09Å; F200-V204 HydrophobicContact CE2-CG1 4.1Å; F200-V206 HydrophobicContact CE2-CG2 4.39Å; F200-V206 HydrophobicContact CZ-CG2 4.28Å
201	H	98.5	Very high	97.9	Very high	32 Å²	32	41.2 Å²	41.2	15%	0.148	21%	0.207	C	C	.	.			trans	-76.7	160.8	-177.3	-62.8	-48.3	0	0	0	113	D170 N173 V199 N203 V204	D170-H201 IonicContact OD1-CD2 3.26Å; D170-H201 IonicContact OD1-CE1 3.96Å; D170-H201 PolarHBondContact OD1-CE1 3.03Å; D170-H201 IonicContact OD1-NE2 3.65Å; D170-H201 PolarHBondContact OD1-NE2 2.96Å; N173-H201 HydrophobicContact CB-CB 3.85Å; V199-H201 PolarHBondContact O-CD2 2.94Å; V199-H201 PolarHBondContact O-N 2.72Å; H201-N203 WeakPolarHBondContact CB-OD1 3.29Å; H201-N203 PolarHBondContact O-N 3.09Å; H201-N203 VanDerWaalsContact O-N 3.13Å; H201-V204 HydrophobicContact CB-CG2 4.27Å; H201-V204 WeakPolarHBondContact O-CB 3.24Å; H201-V204 PolarHBondContact O-N 3.37Å
202	P	97.7	Very high	97.9	Very high	129 Å²	129	42.3 Å²	42.3	84%	0.838	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-20.2	-178.8	-24.9	35.4	0	0	0	115.7	V204	P202-V204 VanDerWaalsContact C-N 3.27Å
203	N	97.6	Very high	97.8	Very high	26 Å²	26	42 Å²	42	14%	0.139	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.6	176.2	68.4	-52.9	0	0	0	113.3	N173 I177 L179 H201	N173-N203 WeakPolarHBondContact CB-OD1 3.42Å; N173-N203 PolarHBondContact N-ND2 2.93Å; N173-N203 PolarHBondContact OD1-OD1 3Å; I177-N203 PolarHBondContact O-ND2 2.87Å; L179-N203 PolarHBondContact N-O 3.17Å; H201-N203 WeakPolarHBondContact CB-OD1 3.29Å; H201-N203 PolarHBondContact O-N 3.09Å; H201-N203 VanDerWaalsContact O-N 3.13Å
204	V	98.2	Very high	97.7	Very high	13 Å²	13	43.6 Å²	43.6	8%	0.079	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127.3	-179.6	-174.1	0	0	0	0	109.8	F169 L179 I181 I194 F200 H201 P202 V206	F169-V204 HydrophobicContact CD1-CG2 4.13Å; F169-V204 HydrophobicContact CE1-CG2 4.33Å; L179-V204 HydrophobicContact CB-CG2 4.34Å; L179-V204 HydrophobicContact CD2-CG1 4.33Å; L179-V204 HydrophobicContact CD2-CG2 4.15Å; L179-V204 HydrophobicContact CG-CG1 4.45Å; L179-V204 CarbonylContact O-C 3.59Å; L179-V204 WeakPolarHBondContact O-CA 3.15Å; I181-V204 HydrophobicContact CD1-CG1 3.73Å; I181-V204 HydrophobicContact CG1-CG1 4.05Å; I194-V204 HydrophobicContact CD1-CG1 4.3Å; F200-V204 HydrophobicContact CD2-CB 3.98Å; F200-V204 HydrophobicContact CD2-CG1 4.17Å; F200-V204 HydrophobicContact CE2-CB 4.09Å; F200-V204 HydrophobicContact CE2-CG1 4.1Å; H201-V204 HydrophobicContact CB-CG2 4.27Å; H201-V204 WeakPolarHBondContact O-CB 3.24Å; H201-V204 PolarHBondContact O-N 3.37Å; P202-V204 VanDerWaalsContact C-N 3.27Å; V204-V206 HydrophobicContact CG1-CG2 4.41Å
205	K	96.8	Very high	97.6	Very high	79 Å²	79	53.4 Å²	53.4	34%	0.343	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	143.1	169.6	-170.9	175.2	-174.1	166.4	0	109.4	L179 L180 I181 H242	L179-K205 PolarHBondContact O-N 3.48Å; L180-K205 CarbonylContact C-O 3.59Å; L180-K205 WeakPolarHBondContact CA-O 3.49Å; L180-K205 HydrophobicContact CD1-CB 4.16Å; L180-K205 HydrophobicContact CD1-CD 4.47Å; L180-K205 HydrophobicContact CD1-CG 4.26Å; I181-K205 PolarHBondContact N-O 3.15Å; K205-H242 HydrophobicContact CD-CB 4.44Å; K205-H242 VanDerWaalsContact CD-CE1 3.41Å; K205-H242 WeakPolarHBondContact CD-CE1 3.02Å; K205-H242 VanDerWaalsContact CD-ND1 3.26Å; K205-H242 WeakPolarHBondContact CD-ND1 3.38Å; K205-H242 VanDerWaalsContact NZ-CB 3.32Å; K205-H242 PolarHBondContact NZ-ND1 3.49Å
206	V	96.8	Very high	97.4	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.079	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.5	-179	179.2	0	0	0	0	110	I181 L190 E191 I194 F200 V204 Y210	I181-V206 HydrophobicContact CB-CG2 4.29Å; I181-V206 HydrophobicContact CD1-CG2 4.44Å; I181-V206 CarbonylContact O-C 3.59Å; I181-V206 WeakPolarHBondContact O-CA 3.3Å; L190-V206 HydrophobicContact CD1-CG1 3.94Å; L190-V206 HydrophobicContact CD2-CB 4.43Å; L190-V206 HydrophobicContact CD2-CG1 3.79Å; L190-V206 HydrophobicContact CD2-CG2 3.72Å; L190-V206 HydrophobicContact CG-CG1 4.44Å; E191-V206 HydrophobicContact CG-CG2 4.3Å; I194-V206 HydrophobicContact CD1-CG2 4.4Å; F200-V206 HydrophobicContact CE2-CG2 4.39Å; F200-V206 HydrophobicContact CZ-CG2 4.28Å; V204-V206 HydrophobicContact CG1-CG2 4.41Å; V206-Y210 VanDerWaalsContact CB-OH 3.25Å; V206-Y210 WeakPolarHBondContact CB-OH 3.21Å; V206-Y210 VanDerWaalsContact CG1-OH 3.3Å; V206-Y210 WeakPolarHBondContact CG1-OH 3.49Å; V206-Y210 PolarHBondContact O-OH 3.17Å
207	I	95.1	Very high	97.4	Very high	13 Å²	13	50.3 Å²	50.3	7%	0.067	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	117.5	166.5	-64.3	171.2	0	0	0	107	L180 I181 F182 S183 I227 N239	L180-I207 HydrophobicContact CD1-CB 4.49Å; L180-I207 HydrophobicContact CD1-CD1 3.7Å; L180-I207 HydrophobicContact CD1-CG1 3.84Å; L180-I207 HydrophobicContact CD2-CD1 4.17Å; L180-I207 HydrophobicContact CG-CD1 4.48Å; I181-I207 PolarHBondContact O-N 2.83Å; F182-I207 WeakPolarHBondContact CA-O 3.22Å; F182-I207 HydrophobicContact CD2-CB 3.86Å; F182-I207 HydrophobicContact CD2-CG2 3.61Å; F182-I207 HydrophobicContact CE2-CB 4.29Å; F182-I207 HydrophobicContact CE2-CG2 3.53Å; F182-I207 HydrophobicContact CG-CB 4.35Å; F182-I207 HydrophobicContact CG-CG2 4.44Å; F182-I207 HydrophobicContact CZ-CG2 4.28Å; S183-I207 PolarHBondContact N-O 3.02Å; I207-I227 HydrophobicContact CG2-CD1 3.79Å; I207-N239 HydrophobicContact CD1-CB 3.72Å; I207-N239 VanDerWaalsContact CD1-CG 3.47Å
208	S	96.3	Very high	97.3	Very high	9 Å²	9	51 Å²	51	6%	0.063	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	-178.3	-179.2	-163.8	0	0	0	0	111.5	S183 G185 G187 Y210	S183-S208 VanDerWaalsContact O-CA 3.24Å; S183-S208 WeakPolarHBondContact O-CA 3.32Å; S183-S208 WeakPolarHBondContact O-CB 3.32Å; S183-S208 PolarHBondContact O-OG 3.2Å; G185-S208 PolarHBondContact O-OG 3.03Å; G185-S208 VanDerWaalsContact O-OG 3.1Å; G187-S208 PolarHBondContact N-OG 2.92Å; S208-Y210 WeakPolarHBondContact O-CD2 3.39Å; S208-Y210 PolarHBondContact O-N 3.05Å; S208-Y210 VanDerWaalsContact O-N 3.16Å
209	N	97	Very high	97.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.011	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	97.9	174.8	-56.6	-64.4	0	0	0	109.6	A184 G185 G187 F222 I227	A184-N209 PolarHBondContact O-ND2 2.97Å; G185-N209 VanDerWaalsContact O-CB 3.31Å; G185-N209 WeakPolarHBondContact O-CB 3.4Å; G185-N209 PolarHBondContact O-ND2 3.22Å; G187-N209 PolarHBondContact N-O 3.22Å; N209-F222 HydrophobicContact CB-CD1 3.96Å; N209-F222 HydrophobicContact CB-CE1 4.42Å; N209-I227 PolarHBondContact ND2-O 3.41Å; N209-I227 PolarHBondContact OD1-N 3.35Å
210	Y	97.7	Very high	97.2	Very high	52 Å²	52	50.7 Å²	50.7	20%	0.204	26%	0.259	C	S	.	.			trans	-83.8	140.7	177.9	-76.2	-83.2	0	0	0	111.9	D188 E191 V206 S208 F222 K223	D188-Y210 WeakPolarHBondContact OD2-CA 3.46Å; D188-Y210 WeakPolarHBondContact OD2-CD1 3.4Å; E191-Y210 HydrophobicContact CG-CE1 4.39Å; E191-Y210 PolarHBondContact OE1-OH 3.4Å; E191-Y210 VanDerWaalsContact OE1-OH 3.06Å; V206-Y210 VanDerWaalsContact CB-OH 3.25Å; V206-Y210 WeakPolarHBondContact CB-OH 3.21Å; V206-Y210 VanDerWaalsContact CG1-OH 3.3Å; V206-Y210 WeakPolarHBondContact CG1-OH 3.49Å; V206-Y210 PolarHBondContact O-OH 3.17Å; S208-Y210 WeakPolarHBondContact O-CD2 3.39Å; S208-Y210 PolarHBondContact O-N 3.05Å; S208-Y210 VanDerWaalsContact O-N 3.16Å; Y210-F222 CarbonylContact O-C 3.58Å; Y210-F222 VanDerWaalsContact O-CA 3.31Å; Y210-F222 WeakPolarHBondContact O-CA 3.42Å; Y210-K223 PolarHBondContact O-N 3.06Å
211	M	98.1	Very high	97.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	146.3	171.6	-72.3	178.7	174	0	0	111.3	L90 L150 I186 D188 F213 L219 F222 K223	L90-M211 HydrophobicContact CD2-CE 3.41Å; L90-M211 VanDerWaalsContact CD2-CE 3.41Å; L150-M211 HydrophobicContact CD1-SD 4.04Å; L150-M211 HydrophobicContact CD2-CE 4.42Å; L150-M211 HydrophobicContact CD2-SD 4.1Å; I186-M211 HydrophobicContact CD1-CE 4.06Å; I186-M211 HydrophobicContact CG2-CE 3.71Å; I186-M211 HydrophobicContact CG2-CG 4.26Å; I186-M211 HydrophobicContact CG2-SD 4.33Å; D188-M211 WeakPolarHBondContact OD2-CB 3.35Å; D188-M211 PolarHBondContact OD2-N 2.9Å; M211-F213 HydrophobicContact CB-CD2 4.12Å; M211-F213 HydrophobicContact CB-CE2 3.4Å; M211-F213 VanDerWaalsContact CB-CE2 3.4Å; M211-F213 HydrophobicContact CB-CZ 3.68Å; M211-F213 HydrophobicContact CG-CE2 4.42Å; M211-F213 HydrophobicContact CG-CZ 4.28Å; M211-F213 HydrophobicContact SD-CE1 4.42Å; M211-F213 HydrophobicContact SD-CE2 4.24Å; M211-F213 HydrophobicContact SD-CZ 3.6Å; M211-L219 HydrophobicContact CB-CD1 3.6Å; M211-L219 HydrophobicContact CE-CD2 4.3Å; M211-L219 HydrophobicContact CG-CD1 3.63Å; M211-L219 HydrophobicContact SD-CD1 4.08Å; M211-L219 HydrophobicContact SD-CD2 4.43Å; M211-F222 HydrophobicContact CE-CE1 4.34Å; M211-F222 HydrophobicContact CE-CZ 3.92Å; M211-F222 HydrophobicContact CG-CD1 4.29Å; M211-F222 HydrophobicContact CG-CE1 3.75Å; M211-F222 HydrophobicContact CG-CZ 3.92Å; M211-K223 WeakPolarHBondContact O-CE 3.29Å; M211-K223 PolarHBondContact O-NZ 2.81Å; M211-K223 VanDerWaalsContact O-NZ 3.1Å
212	D	97.8	Very high	97.1	Very high	72 Å²	72	50.4 Å²	50.4	39%	0.385	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	117.5	170.5	-158.1	26	0	0	0	110.3	R220 A221 K223	D212-R220 PolarHBondContact O-N 2.91Å; D212-A221 HydrophobicContact CB-CB 4.19Å; D212-A221 PolarHBondContact N-O 3.27Å; D212-A221 PolarHBondContact O-N 3.28Å; D212-K223 HydrophobicContact CB-CG 3.78Å; D212-K223 WeakPolarHBondContact OD1-CE 3.44Å; D212-K223 IonicContact OD1-NZ 2.79Å
213	F	97.6	Very high	96.9	Very high	32 Å²	32	49.2 Å²	49.2	14%	0.14	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	139.2	-176.5	-64.7	-84.4	0	0	0	109.6	K147 L150 M211 G217 I218 L219	K147-F213 HydrophobicContact CB-CD1 3.85Å; K147-F213 HydrophobicContact CB-CD2 4.3Å; K147-F213 HydrophobicContact CB-CE1 3.74Å; K147-F213 HydrophobicContact CB-CE2 4.17Å; K147-F213 HydrophobicContact CB-CG 4.14Å; K147-F213 HydrophobicContact CB-CZ 3.91Å; K147-F213 HydrophobicContact CD-CD2 3.97Å; K147-F213 HydrophobicContact CD-CE2 4.09Å; K147-F213 HydrophobicContact CD-CG 4.39Å; K147-F213 HydrophobicContact CG-CD2 4.25Å; K147-F213 HydrophobicContact CG-CE1 4.4Å; K147-F213 HydrophobicContact CG-CE2 3.96Å; K147-F213 HydrophobicContact CG-CZ 4.06Å; L150-F213 HydrophobicContact CD1-CE2 4.44Å; L150-F213 HydrophobicContact CD1-CZ 3.9Å; M211-F213 HydrophobicContact CB-CD2 4.12Å; M211-F213 HydrophobicContact CB-CE2 3.4Å; M211-F213 VanDerWaalsContact CB-CE2 3.4Å; M211-F213 HydrophobicContact CB-CZ 3.68Å; M211-F213 HydrophobicContact CG-CE2 4.42Å; M211-F213 HydrophobicContact CG-CZ 4.28Å; M211-F213 HydrophobicContact SD-CE1 4.42Å; M211-F213 HydrophobicContact SD-CE2 4.24Å; M211-F213 HydrophobicContact SD-CZ 3.6Å; F213-G217 WeakPolarHBondContact CD1-O 3.43Å; F213-I218 CarbonylContact C-O 3.19Å; F213-I218 WeakPolarHBondContact CA-O 3.35Å; F213-L219 HydrophobicContact CD1-CB 4.26Å; F213-L219 HydrophobicContact CE1-CB 4.03Å
214	D	96.9	Very high	96.5	Very high	45 Å²	45	51.8 Å²	51.8	24%	0.241	28%	0.279	C	S	.	.			trans	-71.6	177.9	172.3	68.3	23.8	0	0	0	112.7	T216 G217 I218 R220	D214-T216 PolarHBondContact O-N 2.83Å; D214-T216 VanDerWaalsContact OD1-CA 3.32Å; D214-T216 WeakPolarHBondContact OD1-CA 3.39Å; D214-T216 WeakPolarHBondContact OD1-CB 3.43Å; D214-T216 PolarHBondContact OD1-N 2.86Å; D214-T216 PolarHBondContact OD1-OG1 3.44Å; D214-T216 PolarHBondContact OD2-OG1 3.43Å; D214-G217 PolarHBondContact O-N 3.35Å; D214-G217 PolarHBondContact OD1-N 2.95Å; D214-G217 VanDerWaalsContact OD1-N 3.13Å; D214-I218 PolarHBondContact N-O 3.43Å; D214-I218 PolarHBondContact OD1-N 2.92Å; D214-R220 HydrophobicContact CB-CG 3.82Å; D214-R220 IonicContact OD2-CZ 2.95Å; D214-R220 IonicContact OD2-NE 3.21Å; D214-R220 PolarHBondContact OD2-NE 2.97Å; D214-R220 IonicContact OD2-NH2 2.76Å; D214-R220 PolarHBondContact OD2-NH2 3.21Å
215	E	96.2	Very high	96.1	Very high	206 Å²	206	57.8 Å²	57.8	96%	0.963	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.9	179.2	-60.6	-179.2	-178.3	0	0	113.6
216	T	95.6	Very high	95.9	Very high	105 Å²	105	55.9 Å²	55.9	64%	0.644	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-1	177.1	71.6	0	0	0	0	113	D214 I218	D214-T216 PolarHBondContact O-N 2.83Å; D214-T216 VanDerWaalsContact OD1-CA 3.32Å; D214-T216 WeakPolarHBondContact OD1-CA 3.39Å; D214-T216 WeakPolarHBondContact OD1-CB 3.43Å; D214-T216 PolarHBondContact OD1-N 2.86Å; D214-T216 PolarHBondContact OD1-OG1 3.44Å; D214-T216 PolarHBondContact OD2-OG1 3.43Å; T216-I218 WeakPolarHBondContact OG1-CD1 3.48Å
217	G	96.6	Very high	95.6	Very high	21 Å²	21	56 Å²	56	22%	0.216	30%	0.3	C	S	.	.	S	Bend	trans	81.5	19.1	179.6	0	0	0	0	0	114.1	K146 K147 F213 D214	K146-G217 CarbonylContact C-O 3.58Å; K146-G217 WeakPolarHBondContact CA-O 3.4Å; K147-G217 PolarHBondContact N-O 3.27Å; F213-G217 WeakPolarHBondContact CD1-O 3.43Å; D214-G217 PolarHBondContact O-N 3.35Å; D214-G217 PolarHBondContact OD1-N 2.95Å; D214-G217 VanDerWaalsContact OD1-N 3.13Å
218	I	97.8	Very high	95.3	Very high	35 Å²	35	55.4 Å²	55.4	18%	0.179	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-97.1	135.4	178.7	-62.3	175.1	0	0	0	110	N144 K146 F213 D214 T216 R220	N144-I218 HydrophobicContact CB-CG2 3.87Å; K146-I218 HydrophobicContact CG-CG1 4.46Å; F213-I218 CarbonylContact C-O 3.19Å; F213-I218 WeakPolarHBondContact CA-O 3.35Å; D214-I218 PolarHBondContact N-O 3.43Å; D214-I218 PolarHBondContact OD1-N 2.92Å; T216-I218 WeakPolarHBondContact OG1-CD1 3.48Å; I218-R220 PolarHBondContact O-N 3.07Å
219	L	97.9	Very high	94.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	128.4	176.7	178.5	65.4	0	0	0	110.9	L140 V141 I145 M211 F213 A221 F222	L140-L219 HydrophobicContact CB-CD2 4.24Å; V141-L219 HydrophobicContact CG2-CD2 4.25Å; V141-L219 HydrophobicContact CG2-CG 4.12Å; I145-L219 HydrophobicContact CB-CB 4.17Å; I145-L219 HydrophobicContact CB-CD2 4.37Å; I145-L219 HydrophobicContact CD1-CD2 3.94Å; I145-L219 WeakPolarHBondContact O-CB 3.3Å; I145-L219 PolarHBondContact O-N 3.17Å; M211-L219 HydrophobicContact CB-CD1 3.6Å; M211-L219 HydrophobicContact CE-CD2 4.3Å; M211-L219 HydrophobicContact CG-CD1 3.63Å; M211-L219 HydrophobicContact SD-CD1 4.08Å; M211-L219 HydrophobicContact SD-CD2 4.43Å; F213-L219 HydrophobicContact CD1-CB 4.26Å; F213-L219 HydrophobicContact CE1-CB 4.03Å; L219-A221 VanDerWaalsContact CD1-O 3.25Å; L219-A221 WeakPolarHBondContact CD1-O 3.49Å; L219-F222 HydrophobicContact CD2-CE2 4.48Å
220	R	97.4	Very high	94.1	Very high	130 Å²	130	58 Å²	58	49%	0.491	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-29.2	177.3	-66.5	-58.7	-178.3	-167.5	-7.4	114.2	V141 D212 D214 I218	V141-R220 VanDerWaalsContact CG1-O 3.32Å; V141-R220 WeakPolarHBondContact CG1-O 3.39Å; D212-R220 PolarHBondContact O-N 2.91Å; D214-R220 HydrophobicContact CB-CG 3.82Å; D214-R220 IonicContact OD2-CZ 2.95Å; D214-R220 IonicContact OD2-NE 3.21Å; D214-R220 PolarHBondContact OD2-NE 2.97Å; D214-R220 IonicContact OD2-NH2 2.76Å; D214-R220 PolarHBondContact OD2-NH2 3.21Å; I218-R220 PolarHBondContact O-N 3.07Å
221	A	97.1	Very high	93.5	Very high	38 Å²	38	56.6 Å²	56.6	31%	0.314	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	-178.8	-178.3	0	0	0	0	0	110.8	D212 L219	D212-A221 HydrophobicContact CB-CB 4.19Å; D212-A221 PolarHBondContact N-O 3.27Å; D212-A221 PolarHBondContact O-N 3.28Å; L219-A221 VanDerWaalsContact CD1-O 3.25Å; L219-A221 WeakPolarHBondContact CD1-O 3.49Å
222	F	96.5	Very high	93	Very high	39 Å²	39	56.8 Å²	56.8	17%	0.171	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	146.7	161.7	-76	-103.5	0	0	0	109.4	H137 L140 I186 N209 Y210 M211 L219	H137-F222 HydrophobicContact CB-CD2 3.66Å; H137-F222 HydrophobicContact CB-CE2 3.68Å; H137-F222 AromaticContact CD2-CE2 3.59Å; H137-F222 AromaticContact CD2-CZ 3.56Å; H137-F222 AromaticContact CE1-CD1 3.95Å; H137-F222 AromaticContact CG-CD2 3.61Å; H137-F222 AromaticContact CG-CE2 3.58Å; H137-F222 AromaticContact ND1-CD2 3.83Å; H137-F222 AromaticContact ND1-CG 3.83Å; H137-F222 AromaticContact NE2-CE1 3.77Å; H137-F222 AromaticContact NE2-CZ 3.83Å; L140-F222 HydrophobicContact CD1-CE2 4.46Å; L140-F222 HydrophobicContact CD1-CZ 4.13Å; I186-F222 HydrophobicContact CG1-CE1 4.31Å; I186-F222 HydrophobicContact CG2-CE1 4.31Å; N209-F222 HydrophobicContact CB-CD1 3.96Å; N209-F222 HydrophobicContact CB-CE1 4.42Å; Y210-F222 CarbonylContact O-C 3.58Å; Y210-F222 VanDerWaalsContact O-CA 3.31Å; Y210-F222 WeakPolarHBondContact O-CA 3.42Å; M211-F222 HydrophobicContact CE-CE1 4.34Å; M211-F222 HydrophobicContact CE-CZ 3.92Å; M211-F222 HydrophobicContact CG-CD1 4.29Å; M211-F222 HydrophobicContact CG-CE1 3.75Å; M211-F222 HydrophobicContact CG-CZ 3.92Å; L219-F222 HydrophobicContact CD2-CE2 4.48Å
223	K	93.8	Very high	92.4	Very high	104 Å²	104	59.7 Å²	59.7	45%	0.452	31%	0.31	S	S	.	.			trans	-85	144.7	-175.1	-64	177.4	178.3	150.1	0	111.4	Y210 M211 D212	Y210-K223 PolarHBondContact O-N 3.06Å; M211-K223 WeakPolarHBondContact O-CE 3.29Å; M211-K223 PolarHBondContact O-NZ 2.81Å; M211-K223 VanDerWaalsContact O-NZ 3.1Å; D212-K223 HydrophobicContact CB-CG 3.78Å; D212-K223 WeakPolarHBondContact OD1-CE 3.44Å; D212-K223 IonicContact OD1-NZ 2.79Å
224	G	90.1	Very high	91.6	Very high	80 Å²	80	62.2 Å²	62.2	83%	0.825	32%	0.322	S	S	*	.	S	Bend	trans	70.1	-156.1	170	0	0	0	0	0	113.1
225	E	89.2	Confident	90.8	Very high	139 Å²	139	60.5 Å²	60.5	65%	0.65	32%	0.315	S	S	*	.	S	Bend	trans	-85.9	137.7	176.6	-63.2	-171.9	174.4	0	0	110.3	I227 L238	E225-I227 PolarHBondContact O-N 3Å; E225-L238 WeakPolarHBondContact OE2-CD1 3.39Å
226	L	91.8	Very high	89.8	Confident	38 Å²	38	50.7 Å²	50.7	20%	0.199	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-57.4	129.4	176.1	171.2	68.3	0	0	0	110.4	V130 W133 N231	V130-L226 HydrophobicContact CG1-CD2 4.49Å; W133-L226 HydrophobicContact CB-CD1 3.78Å; W133-L226 HydrophobicContact CB-CD2 3.76Å; W133-L226 HydrophobicContact CB-CG 4.37Å; W133-L226 HydrophobicContact CG-CD1 4.48Å; L226-N231 PolarHBondContact O-ND2 2.95Å
227	I	90.9	Very high	89	Confident	15 Å²	15	49.9 Å²	49.9	8%	0.077	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-102.6	126.3	170	-59.6	157.4	0	0	0	108.3	F182 A184 I207 N209 E225 N231 K232	F182-I227 HydrophobicContact CE2-CD1 3.97Å; F182-I227 HydrophobicContact CE2-CG1 4.33Å; F182-I227 HydrophobicContact CE2-CG2 3.85Å; A184-I227 HydrophobicContact CB-CG2 4.21Å; I207-I227 HydrophobicContact CG2-CD1 3.79Å; N209-I227 PolarHBondContact ND2-O 3.41Å; N209-I227 PolarHBondContact OD1-N 3.35Å; E225-I227 PolarHBondContact O-N 3Å; I227-N231 WeakPolarHBondContact CA-OD1 3.38Å; I227-K232 HydrophobicContact CG2-CG 4.31Å
228	H	89.2	Confident	88.2	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	28%	0.276	C	S	.	.			trans	-134.5	174.4	173.3	64.4	83.8	0	0	0	110.3	M129 Y230 N231	M129-H228 HydrophobicContact CB-CB 4.46Å; H228-Y230 PolarHBondContact ND1-N 2.81Å; H228-Y230 PolarHBondContact O-N 3.12Å; H228-N231 VanDerWaalsContact CD2-CG 3.42Å; H228-N231 PolarHBondContact CD2-ND2 2.95Å; H228-N231 PolarHBondContact N-OD1 3.14Å; H228-N231 PolarHBondContact NE2-ND2 3.01Å; H228-N231 PolarHBondContact O-N 3.21Å; H228-N231 PolarHBondContact O-OD1 2.85Å
229	V	84.9	Confident	87.3	Confident	18 Å²	18	54.7 Å²	54.7	11%	0.109	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-23.9	-172.8	69.4	0	0	0	0	115	E115 G260	E115-V229 HydrophobicContact CG-CG1 4.08Å; V229-G260 WeakPolarHBondContact O-CA 3.46Å
230	Y	83.2	Confident	86.2	Confident	47 Å²	47	58 Å²	58	18%	0.184	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-2.6	-174.3	-62.2	-56.6	0	0	0	115.3	E115 V122 K125 M129 H228	E115-Y230 HydrophobicContact CG-CE2 4.23Å; E115-Y230 PolarHBondContact O-OH 2.7Å; V122-Y230 HydrophobicContact CG1-CD1 4Å; V122-Y230 HydrophobicContact CG1-CG 4.13Å; V122-Y230 HydrophobicContact CG2-CD1 4.33Å; K125-Y230 HydrophobicContact CB-CD2 4.07Å; K125-Y230 HydrophobicContact CB-CE2 3.79Å; K125-Y230 HydrophobicContact CD-CE2 3.71Å; K125-Y230 WeakPolarHBondContact CD-OH 3.29Å; K125-Y230 HydrophobicContact CG-CE2 4.42Å; K125-Y230 PolarHBondContact NZ-OH 2.83Å; M129-Y230 HydrophobicContact CG-CD2 3.62Å; M129-Y230 HydrophobicContact CG-CE2 3.8Å; M129-Y230 HydrophobicContact SD-CE2 4.36Å; H228-Y230 PolarHBondContact ND1-N 2.81Å; H228-Y230 PolarHBondContact O-N 3.12Å
231	N	85.9	Confident	85.2	Confident	24 Å²	24	53.7 Å²	53.7	13%	0.128	30%	0.297	C	S	.	.			trans	-122.4	19	-178.3	77.4	-14.8	0	0	0	114	L226 I227 H228 R233 E234 G235	L226-N231 PolarHBondContact O-ND2 2.95Å; I227-N231 WeakPolarHBondContact CA-OD1 3.38Å; H228-N231 VanDerWaalsContact CD2-CG 3.42Å; H228-N231 PolarHBondContact CD2-ND2 2.95Å; H228-N231 PolarHBondContact N-OD1 3.14Å; H228-N231 PolarHBondContact NE2-ND2 3.01Å; H228-N231 PolarHBondContact O-N 3.21Å; H228-N231 PolarHBondContact O-OD1 2.85Å; N231-R233 PolarHBondContact O-N 3.2Å; N231-E234 VanDerWaalsContact C-OE2 3.31Å; N231-E234 WeakPolarHBondContact CA-OE2 3.24Å; N231-E234 WeakPolarHBondContact CB-OE2 3.35Å; N231-E234 PolarHBondContact O-N 3.05Å; N231-E234 VanDerWaalsContact O-N 3.17Å; N231-G235 PolarHBondContact O-N 3.07Å; N231-G235 VanDerWaalsContact O-N 3.15Å
232	K	87.1	Confident	84.4	Confident	3 Å²	3	52.5 Å²	52.5	1%	0.013	29%	0.285	C	S	.	.	H	α-helix	trans	-60.8	-26.5	174.6	-67.4	-162.7	177.6	-172	0	112.2	D68 F182 I227 G235 A236 D261 M264	D68-K232 VanDerWaalsContact CG-NZ 3.32Å; D68-K232 IonicContact OD1-NZ 3.68Å; D68-K232 PolarHBondContact OD1-NZ 2.8Å; F182-K232 HydrophobicContact CE1-CB 4.17Å; F182-K232 WeakPolarHBondContact CE1-O 3.48Å; F182-K232 HydrophobicContact CZ-CB 4.1Å; F182-K232 HydrophobicContact CZ-CG 4.44Å; F182-K232 VanDerWaalsContact CZ-O 3.23Å; F182-K232 WeakPolarHBondContact CZ-O 3.33Å; F182-K232 PolarHBondContact O-NZ 3.31Å; I227-K232 HydrophobicContact CG2-CG 4.31Å; K232-G235 PolarHBondContact O-N 3.05Å; K232-A236 WeakPolarHBondContact O-CB 3.44Å; K232-A236 PolarHBondContact O-N 3.04Å; K232-D261 WeakPolarHBondContact CE-OD1 3.47Å; K232-D261 IonicContact NZ-OD1 2.82Å; K232-D261 PolarHBondContact NZ-OD1 2.69Å; K232-M264 HydrophobicContact CB-CG 4.11Å; K232-M264 HydrophobicContact CD-CG 3.59Å; K232-M264 HydrophobicContact CD-SD 3.72Å; K232-M264 HydrophobicContact CG-CG 4.49Å; K232-M264 PolarHBondContact NZ-SD 3.11Å
233	R	84.8	Confident	83.6	Confident	134 Å²	134	50.7 Å²	50.7	51%	0.506	28%	0.277	S	S	.	.	H	α-helix	trans	-59.1	-52.8	172.4	-175.9	171.7	-175.4	-155.3	-4	111.6	N231 G235 A236 L237 N263 D266	N231-R233 PolarHBondContact O-N 3.2Å; R233-G235 VanDerWaalsContact C-N 3.33Å; R233-G235 PolarHBondContact O-N 3.34Å; R233-A236 WeakPolarHBondContact O-CB 3.45Å; R233-A236 PolarHBondContact O-N 3.28Å; R233-A236 VanDerWaalsContact O-N 3.17Å; R233-L237 HydrophobicContact CG-CD1 4.27Å; R233-L237 WeakPolarHBondContact O-CG 3.43Å; R233-L237 PolarHBondContact O-N 3.35Å; R233-N263 HydrophobicContact CB-CB 3.82Å; R233-N263 HydrophobicContact CG-CB 4.41Å; R233-D266 WeakPolarHBondContact CD-OD2 3.49Å; R233-D266 HydrophobicContact CG-CB 4.23Å; R233-D266 WeakPolarHBondContact CG-OD2 3.36Å; R233-D266 IonicContact NE-OD2 3.7Å; R233-D266 PolarHBondContact NE-OD2 2.95Å
234	E	81.7	Confident	82.8	Confident	84 Å²	84	49.9 Å²	49.9	39%	0.393	28%	0.275	S	S	.	.	H	α-helix	trans	-60.7	-45.8	179.7	-69.5	71.4	-162.3	0	0	110.1	N231 A236 L237 L238	N231-E234 VanDerWaalsContact C-OE2 3.31Å; N231-E234 WeakPolarHBondContact CA-OE2 3.24Å; N231-E234 WeakPolarHBondContact CB-OE2 3.35Å; N231-E234 PolarHBondContact O-N 3.05Å; N231-E234 VanDerWaalsContact O-N 3.17Å; E234-A236 VanDerWaalsContact C-N 3.31Å; E234-A236 PolarHBondContact O-N 3.1Å; E234-L237 PolarHBondContact O-N 3.41Å; E234-L237 VanDerWaalsContact O-N 3.09Å; E234-L238 VanDerWaalsContact O-CG 3.32Å; E234-L238 WeakPolarHBondContact O-CG 3.48Å; E234-L238 PolarHBondContact O-N 3.11Å
235	G	78.3	Confident	82.4	Confident	9 Å²	9	52.9 Å²	52.9	9%	0.093	27%	0.268	C	S	.	.	H	α-helix	trans	-61.9	-35.8	175.6	0	0	0	0	0	113.2	N231 K232 R233 L237 L238 N239	N231-G235 PolarHBondContact O-N 3.07Å; N231-G235 VanDerWaalsContact O-N 3.15Å; K232-G235 PolarHBondContact O-N 3.05Å; R233-G235 VanDerWaalsContact C-N 3.33Å; R233-G235 PolarHBondContact O-N 3.34Å; G235-L237 VanDerWaalsContact C-N 3.34Å; G235-L237 PolarHBondContact O-N 2.88Å; G235-L238 PolarHBondContact O-N 3.16Å; G235-N239 PolarHBondContact O-N 3.38Å; G235-N239 PolarHBondContact O-ND2 3.11Å
236	A	76.9	Confident	82.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62	-43.4	172.7	0	0	0	0	0	111.1	F182 K232 R233 E234 N239 F243	F182-A236 HydrophobicContact CE1-CB 3.95Å; K232-A236 WeakPolarHBondContact O-CB 3.44Å; K232-A236 PolarHBondContact O-N 3.04Å; R233-A236 WeakPolarHBondContact O-CB 3.45Å; R233-A236 PolarHBondContact O-N 3.28Å; R233-A236 VanDerWaalsContact O-N 3.17Å; E234-A236 VanDerWaalsContact C-N 3.31Å; E234-A236 PolarHBondContact O-N 3.1Å; A236-N239 PolarHBondContact O-N 2.88Å; A236-F243 HydrophobicContact CB-CE2 4.39Å; A236-F243 VanDerWaalsContact O-CE2 3.22Å; A236-F243 WeakPolarHBondContact O-CE2 3.38Å
237	L	77.3	Confident	82	Confident	89 Å²	89	51.1 Å²	51.1	47%	0.466	25%	0.254	S	S	.	.	H	α-helix	trans	-71.8	-27.7	-179.1	-65.6	173.3	0	0	0	113.4	R233 E234 G235 N239 T240	R233-L237 HydrophobicContact CG-CD1 4.27Å; R233-L237 WeakPolarHBondContact O-CG 3.43Å; R233-L237 PolarHBondContact O-N 3.35Å; E234-L237 PolarHBondContact O-N 3.41Å; E234-L237 VanDerWaalsContact O-N 3.09Å; G235-L237 VanDerWaalsContact C-N 3.34Å; G235-L237 PolarHBondContact O-N 2.88Å; L237-N239 VanDerWaalsContact C-N 3.34Å; L237-T240 WeakPolarHBondContact O-CG2 3.35Å
238	L	80.8	Confident	81.9	Confident	104 Å²	104	54.6 Å²	54.6	55%	0.545	28%	0.279	S	S	.	.	H	α-helix	trans	-77.2	-21.6	176.9	-71.2	169.5	0	0	0	112.9	E225 E234 G235 T240	E225-L238 WeakPolarHBondContact OE2-CD1 3.39Å; E234-L238 VanDerWaalsContact O-CG 3.32Å; E234-L238 WeakPolarHBondContact O-CG 3.48Å; E234-L238 PolarHBondContact O-N 3.11Å; G235-L238 PolarHBondContact O-N 3.16Å; L238-T240 VanDerWaalsContact C-N 3.3Å; L238-T240 PolarHBondContact O-N 3.12Å
239	N	78.7	Confident	82.2	Confident	52 Å²	52	56.2 Å²	56.2	28%	0.278	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	36.7	-178.4	-76.1	-82.7	0	0	0	112.8	I207 G235 A236 L237 G241 H242 F243	I207-N239 HydrophobicContact CD1-CB 3.72Å; I207-N239 VanDerWaalsContact CD1-CG 3.47Å; G235-N239 PolarHBondContact O-N 3.38Å; G235-N239 PolarHBondContact O-ND2 3.11Å; A236-N239 PolarHBondContact O-N 2.88Å; L237-N239 VanDerWaalsContact C-N 3.34Å; N239-G241 VanDerWaalsContact C-N 3.29Å; N239-G241 PolarHBondContact O-N 3.26Å; N239-H242 WeakPolarHBondContact O-CB 3.22Å; N239-H242 PolarHBondContact O-N 3.08Å; N239-F243 HydrophobicContact CB-CE2 4.33Å; N239-F243 WeakPolarHBondContact O-CD2 3.43Å; N239-F243 PolarHBondContact O-N 3.25Å
240	T	73.7	Confident	82.7	Confident	71 Å²	71	56 Å²	56	44%	0.436	28%	0.284	S	S	.	.	H	α-helix	trans	-52	-44.6	-176.9	54.7	0	0	0	0	112.7	L237 L238 H242 F243 E244	L237-T240 WeakPolarHBondContact O-CG2 3.35Å; L238-T240 VanDerWaalsContact C-N 3.3Å; L238-T240 PolarHBondContact O-N 3.12Å; T240-H242 PolarHBondContact O-N 2.86Å; T240-H242 VanDerWaalsContact O-N 3.13Å; T240-F243 CarbonylContact O-C 3.5Å; T240-F243 PolarHBondContact O-N 2.91Å; T240-E244 VanDerWaalsContact O-CG 3.29Å; T240-E244 WeakPolarHBondContact O-CG 3.44Å; T240-E244 PolarHBondContact O-N 3.45Å
241	G	78	Confident	83.4	Confident	39 Å²	39	53.9 Å²	53.9	40%	0.402	28%	0.276	S	S	.	.	H	α-helix	trans	-55.2	-34.8	-179.3	0	0	0	0	0	113.6	N239 E245	N239-G241 VanDerWaalsContact C-N 3.29Å; N239-G241 PolarHBondContact O-N 3.26Å; G241-E245 WeakPolarHBondContact O-CG 3.47Å; G241-E245 PolarHBondContact O-N 2.93Å
242	H	79.4	Confident	84	Confident	13 Å²	13	52.8 Å²	52.8	6%	0.06	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-48.8	173.7	-178.7	43	0	0	0	112.3	K205 N239 T240 E244 E245 L246	K205-H242 HydrophobicContact CD-CB 4.44Å; K205-H242 VanDerWaalsContact CD-CE1 3.41Å; K205-H242 WeakPolarHBondContact CD-CE1 3.02Å; K205-H242 VanDerWaalsContact CD-ND1 3.26Å; K205-H242 WeakPolarHBondContact CD-ND1 3.38Å; K205-H242 VanDerWaalsContact NZ-CB 3.32Å; K205-H242 PolarHBondContact NZ-ND1 3.49Å; N239-H242 WeakPolarHBondContact O-CB 3.22Å; N239-H242 PolarHBondContact O-N 3.08Å; T240-H242 PolarHBondContact O-N 2.86Å; T240-H242 VanDerWaalsContact O-N 3.13Å; H242-E244 PolarHBondContact O-N 2.87Å; H242-E245 WeakPolarHBondContact O-CB 3.31Å; H242-E245 PolarHBondContact O-N 3.44Å; H242-L246 PolarHBondContact O-N 3.02Å
243	F	79.1	Confident	84.5	Confident	1 Å²	1	52.6 Å²	52.6	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-69.2	-26.4	-178.7	-67.1	-71.6	0	0	0	112.1	I66 L180 A236 N239 T240 L246 R247 G267 V268	I66-F243 HydrophobicContact CD1-CE1 3.99Å; L180-F243 HydrophobicContact CD2-CE1 4.01Å; L180-F243 HydrophobicContact CD2-CZ 3.67Å; A236-F243 HydrophobicContact CB-CE2 4.39Å; A236-F243 VanDerWaalsContact O-CE2 3.22Å; A236-F243 WeakPolarHBondContact O-CE2 3.38Å; N239-F243 HydrophobicContact CB-CE2 4.33Å; N239-F243 WeakPolarHBondContact O-CD2 3.43Å; N239-F243 PolarHBondContact O-N 3.25Å; T240-F243 CarbonylContact O-C 3.5Å; T240-F243 PolarHBondContact O-N 2.91Å; F243-L246 CarbonylContact O-C 3.57Å; F243-L246 PolarHBondContact O-N 2.91Å; F243-R247 PolarHBondContact O-N 3.3Å; F243-R247 VanDerWaalsContact O-N 3.15Å; F243-G267 WeakPolarHBondContact CB-O 3.4Å; F243-G267 VanDerWaalsContact CG-O 3.3Å; F243-G267 WeakPolarHBondContact CG-O 3.44Å; F243-V268 HydrophobicContact CD1-CB 4.47Å; F243-V268 HydrophobicContact CD1-CG2 3.74Å; F243-V268 HydrophobicContact CE1-CG2 3.67Å
244	E	77.8	Confident	85.2	Confident	86 Å²	86	46.2 Å²	46.2	40%	0.402	25%	0.246	S	C	.	.	H	α-helix	trans	-64.9	-41.9	172.7	-70.5	-163.1	147.6	0	0	112.4	T240 H242 L246 R247	T240-E244 VanDerWaalsContact O-CG 3.29Å; T240-E244 WeakPolarHBondContact O-CG 3.44Å; T240-E244 PolarHBondContact O-N 3.45Å; H242-E244 PolarHBondContact O-N 2.87Å; E244-L246 PolarHBondContact O-N 3.41Å; E244-R247 WeakPolarHBondContact O-CB 3.47Å; E244-R247 WeakPolarHBondContact O-CG 3.47Å; E244-R247 PolarHBondContact O-N 2.88Å; E244-R247 IonicContact OE1-CZ 2.73Å; E244-R247 IonicContact OE1-NH1 2.65Å; E244-R247 IonicContact OE1-NH2 2.63Å; E244-R247 PolarHBondContact OE1-NH2 3.46Å
245	E	81.8	Confident	86	Confident	144 Å²	144	42.2 Å²	42.2	67%	0.673	23%	0.227	S	C	*	.	H	α-helix	trans	-61.7	-28.6	173.6	-68.4	169.4	176.9	0	0	111.7	G241 H242	G241-E245 WeakPolarHBondContact O-CG 3.47Å; G241-E245 PolarHBondContact O-N 2.93Å; H242-E245 WeakPolarHBondContact O-CB 3.31Å; H242-E245 PolarHBondContact O-N 3.44Å
246	L	86.9	Confident	87	Confident	20 Å²	20	41.8 Å²	41.8	11%	0.105	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	10.5	-177.9	-59.3	-170.3	0	0	0	114.6	Q64 P178 H242 F243 E244 S248 R249	Q64-L246 HydrophobicContact CB-CD1 4.5Å; P178-L246 HydrophobicContact CB-CD1 3.84Å; P178-L246 HydrophobicContact CB-CD2 3.97Å; P178-L246 HydrophobicContact CG-CD1 4.24Å; P178-L246 HydrophobicContact CG-CD2 3.55Å; H242-L246 PolarHBondContact O-N 3.02Å; F243-L246 CarbonylContact O-C 3.57Å; F243-L246 PolarHBondContact O-N 2.91Å; E244-L246 PolarHBondContact O-N 3.41Å; L246-S248 PolarHBondContact O-N 3.46Å; L246-R249 WeakPolarHBondContact O-CA 3.45Å; L246-R249 PolarHBondContact O-N 3.26Å
247	R	85.5	Confident	88	Confident	119 Å²	119	43.4 Å²	43.4	45%	0.449	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-29.7	177.1	-82.4	171.7	173.2	149.1	3	114.4	F243 E244 R249	F243-R247 PolarHBondContact O-N 3.3Å; F243-R247 VanDerWaalsContact O-N 3.15Å; E244-R247 WeakPolarHBondContact O-CB 3.47Å; E244-R247 WeakPolarHBondContact O-CG 3.47Å; E244-R247 PolarHBondContact O-N 2.88Å; E244-R247 IonicContact OE1-CZ 2.73Å; E244-R247 IonicContact OE1-NH1 2.65Å; E244-R247 IonicContact OE1-NH2 2.63Å; E244-R247 PolarHBondContact OE1-NH2 3.46Å; R247-R249 PolarHBondContact O-N 3.4Å
248	S	89.8	Confident	88.8	Confident	88 Å²	88	40.1 Å²	40.1	62%	0.615	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-8.3	177.3	61.1	0	0	0	0	113.8	L246 P250	L246-S248 PolarHBondContact O-N 3.46Å; S248-P250 VanDerWaalsContact C-CD 3.42Å; S248-P250 VanDerWaalsContact O-CD 3.24Å; S248-P250 WeakPolarHBondContact O-CD 3.35Å
249	R	94.3	Very high	89.3	Confident	35 Å²	35	38.5 Å²	38.5	13%	0.132	21%	0.207	C	C	.	.			trans	-118.3	67.9	-176.1	-67.8	174.2	176.8	-91.7	1.4	111.8	P60 N61 T62 L63 Q64 A176 P178 L246 R247 N251	P60-R249 PolarHBondContact O-NH1 3.18Å; N61-R249 WeakPolarHBondContact O-CG 3.1Å; N61-R249 PolarHBondContact O-NH1 2.83Å; T62-R249 CarbonylContact O-C 3.6Å; T62-R249 WeakPolarHBondContact O-CA 3.22Å; T62-R249 WeakPolarHBondContact O-CB 3.46Å; L63-R249 WeakPolarHBondContact O-CD 3.36Å; L63-R249 PolarHBondContact O-NH1 3.06Å; Q64-R249 HydrophobicContact CB-CB 4.24Å; Q64-R249 PolarHBondContact NE2-O 2.93Å; A176-R249 PolarHBondContact O-NH2 2.87Å; P178-R249 VanDerWaalsContact CD-CZ 3.48Å; L246-R249 WeakPolarHBondContact O-CA 3.45Å; L246-R249 PolarHBondContact O-N 3.26Å; R247-R249 PolarHBondContact O-N 3.4Å; R249-N251 PolarHBondContact O-N 3.18Å; R249-N251 VanDerWaalsContact O-N 3.11Å
250	P	95.8	Very high	89.9	Confident	14 Å²	14	36.5 Å²	36.5	9%	0.091	20%	0.199	C	C	.	.			trans	-75.1	1.1	-172.6	33.9	-39.8	0	0	0	114.3	S248 D270 M271 K272	S248-P250 VanDerWaalsContact C-CD 3.42Å; S248-P250 VanDerWaalsContact O-CD 3.24Å; S248-P250 WeakPolarHBondContact O-CD 3.35Å; P250-D270 WeakPolarHBondContact CB-O 3.4Å; P250-M271 WeakPolarHBondContact O-CA 3.48Å; P250-K272 HydrophobicContact CB-CB 4.25Å; P250-K272 HydrophobicContact CB-CD 4.25Å; P250-K272 HydrophobicContact CB-CG 3.95Å; P250-K272 HydrophobicContact CG-CB 4.47Å; P250-K272 HydrophobicContact CG-CD 3.86Å; P250-K272 HydrophobicContact CG-CG 4.13Å; P250-K272 PolarHBondContact O-N 3.41Å
251	N	98	Very high	90.9	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	131.1	-176.2	-66.8	-42.4	0	0	0	110.2	L55 A58 T62 L63 Q64 R249 H273	L55-N251 HydrophobicContact CD2-CB 3.59Å; A58-N251 WeakPolarHBondContact CB-ND2 3.29Å; T62-N251 WeakPolarHBondContact CB-ND2 3.36Å; T62-N251 WeakPolarHBondContact O-CB 3.31Å; T62-N251 PolarHBondContact O-N 2.98Å; T62-N251 VanDerWaalsContact O-N 3.17Å; T62-N251 PolarHBondContact OG1-ND2 2.68Å; L63-N251 CarbonylContact C-O 3.6Å; L63-N251 WeakPolarHBondContact CA-O 3.32Å; L63-N251 HydrophobicContact CD1-CB 4.43Å; Q64-N251 PolarHBondContact N-O 3.05Å; R249-N251 PolarHBondContact O-N 3.18Å; R249-N251 VanDerWaalsContact O-N 3.11Å; N251-H273 CarbonylContact C-O 3.59Å; N251-H273 WeakPolarHBondContact CA-O 3.3Å; N251-H273 WeakPolarHBondContact OD1-CB 3.31Å; N251-H273 PolarHBondContact OD1-CD2 3.29Å; N251-H273 PolarHBondContact OD1-N 2.61Å
252	V	98.3	Very high	91.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.8	-168.5	-177.6	0	0	0	0	111.1	Q64 I66 L254 A265 V268 M271 H273 I274 L275	Q64-V252 HydrophobicContact CG-CG2 3.98Å; Q64-V252 WeakPolarHBondContact O-CA 3.41Å; I66-V252 HydrophobicContact CD1-CG1 4.04Å; I66-V252 HydrophobicContact CG1-CG1 4.21Å; V252-L254 HydrophobicContact CG1-CB 4.2Å; V252-A265 HydrophobicContact CG1-CB 4.3Å; V252-V268 HydrophobicContact CG2-CG1 4.11Å; V252-V268 HydrophobicContact CG2-CG2 4.1Å; V252-M271 HydrophobicContact CB-SD 4.24Å; V252-M271 HydrophobicContact CG2-CG 4.12Å; V252-M271 HydrophobicContact CG2-SD 3.76Å; V252-H273 PolarHBondContact N-O 3.03Å; V252-I274 HydrophobicContact CB-CB 4.29Å; V252-I274 HydrophobicContact CB-CD1 4.3Å; V252-I274 HydrophobicContact CB-CG1 4.03Å; V252-I274 HydrophobicContact CG1-CD1 4.15Å; V252-I274 HydrophobicContact CG1-CG1 4.18Å; V252-I274 VanDerWaalsContact O-CA 3.3Å; V252-I274 WeakPolarHBondContact O-CA 3.47Å; V252-L275 PolarHBondContact O-N 2.62Å
253	L	98.7	Very high	92.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	113.6	156.5	176.4	62.3	0	0	0	107.6	L63 Q64 V65 I66 M255 L275 I277 L312	L63-L253 HydrophobicContact CD1-CB 4.4Å; Q64-L253 PolarHBondContact O-N 2.85Å; V65-L253 WeakPolarHBondContact CA-O 3.35Å; V65-L253 HydrophobicContact CG1-CB 4.46Å; V65-L253 HydrophobicContact CG1-CD2 4.46Å; V65-L253 HydrophobicContact CG1-CG 4.47Å; V65-L253 HydrophobicContact CG2-CB 4.2Å; V65-L253 HydrophobicContact CG2-CD2 4.36Å; I66-L253 PolarHBondContact N-O 2.93Å; L253-M255 HydrophobicContact CD2-SD 4.44Å; L253-L275 HydrophobicContact CD1-CB 4.24Å; L253-L275 HydrophobicContact CD1-CD2 4.03Å; L253-L275 HydrophobicContact CD1-CG 4.27Å; L253-I277 HydrophobicContact CD1-CD1 3.79Å; L253-I277 HydrophobicContact CD1-CG1 4.08Å; L253-L312 HydrophobicContact CD2-CD2 4.07Å; L253-L312 HydrophobicContact CD2-CG 4.3Å
254	L	98.8	Very high	93.1	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.3	179.3	-177.4	142	0	0	0	110.2	I66 V252 M264 A265 I274 L275 K276 I277 Y295	I66-L254 CarbonylContact O-C 3.46Å; I66-L254 VanDerWaalsContact O-CA 3.29Å; I66-L254 WeakPolarHBondContact O-CA 3.35Å; V252-L254 HydrophobicContact CG1-CB 4.2Å; L254-M264 HydrophobicContact CD1-CB 4.27Å; L254-M264 HydrophobicContact CG-CE 4.39Å; L254-A265 HydrophobicContact CD1-CB 3.75Å; L254-I274 HydrophobicContact CB-CD1 4.06Å; L254-I274 HydrophobicContact CB-CG1 4.3Å; L254-I274 HydrophobicContact CD1-CD1 4.22Å; L254-L275 PolarHBondContact N-O 2.7Å; L254-K276 HydrophobicContact CB-CG 4.4Å; L254-K276 HydrophobicContact CD2-CB 4.33Å; L254-K276 HydrophobicContact CD2-CG 4.29Å; L254-K276 WeakPolarHBondContact O-CA 3.42Å; L254-I277 PolarHBondContact O-N 3.3Å; L254-Y295 HydrophobicContact CD2-CE1 4.11Å
255	M	98.9	Very high	93.7	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.6	179.2	-68.9	166.7	55.3	0	0	110.6	I66 S67 D68 T72 L73 F168 L253 M264 I277 F279 L305 P308	I66-M255 PolarHBondContact O-N 3.14Å; S67-M255 CarbonylContact C-O 3.58Å; S67-M255 WeakPolarHBondContact CA-O 3.46Å; D68-M255 PolarHBondContact N-O 3.2Å; T72-M255 HydrophobicContact CG2-CB 3.95Å; L73-M255 HydrophobicContact CD2-CE 4.07Å; F168-M255 HydrophobicContact CE2-CE 4.22Å; F168-M255 HydrophobicContact CE2-SD 3.76Å; F168-M255 HydrophobicContact CZ-CE 4.13Å; F168-M255 HydrophobicContact CZ-SD 3.74Å; L253-M255 HydrophobicContact CD2-SD 4.44Å; M255-M264 VanDerWaalsContact O-CE 3.24Å; M255-M264 WeakPolarHBondContact O-CE 3.47Å; M255-I277 WeakPolarHBondContact CA-O 3.19Å; M255-I277 HydrophobicContact CG-CB 4.3Å; M255-F279 HydrophobicContact CE-CE2 3.99Å; M255-F279 HydrophobicContact CE-CZ 4.21Å; M255-L305 HydrophobicContact CE-CD2 3.56Å; M255-P308 HydrophobicContact CE-CB 4.15Å; M255-P308 HydrophobicContact CE-CG 3.89Å; M255-P308 HydrophobicContact SD-CB 4.05Å; M255-P308 HydrophobicContact SD-CG 4.18Å
256	G	98.6	Very high	94.1	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	165.6	177.9	0	0	0	0	0	112.2	T72 I277 G278 F279	T72-G256 WeakPolarHBondContact OG1-CA 3.43Å; G256-I277 PolarHBondContact N-O 3.3Å; G256-I277 VanDerWaalsContact N-O 3.14Å; G256-G278 CarbonylContact O-C 3.52Å; G256-G278 VanDerWaalsContact O-CA 3.22Å; G256-G278 WeakPolarHBondContact O-CA 3.36Å; G256-F279 PolarHBondContact O-N 3.34Å
257	D	97.4	Very high	94.1	Very high	33 Å²	33	26.4 Å²	26.4	18%	0.176	14%	0.143	C	C	.	.	S	Bend	trans	-119.2	-1.2	178.4	72.7	-65.3	0	0	0	112.4	M71 T72 D261 F279 Y291	M71-D257 HydrophobicContact CB-CB 4.42Å; M71-D257 WeakPolarHBondContact CB-OD2 3.32Å; T72-D257 WeakPolarHBondContact OG1-CB 3.32Å; T72-D257 PolarHBondContact OG1-N 3.37Å; T72-D257 PolarHBondContact OG1-OD1 3.39Å; D257-D261 PolarHBondContact N-OD2 3.04Å; D257-D261 VanDerWaalsContact N-OD2 3.12Å; D257-F279 WeakPolarHBondContact CA-O 3.35Å; D257-F279 HydrophobicContact CB-CB 3.97Å; D257-F279 WeakPolarHBondContact CB-O 3.39Å; D257-Y291 PolarHBondContact O-OH 3.08Å
258	S	94.5	Very high	94.2	Very high	20 Å²	20	21.5 Å²	21.5	14%	0.14	13%	0.127	C	C	.	.	S	Bend	trans	-122.6	164.6	175.6	79.9	0	0	0	0	111.6	G260 D261 Y295	S258-G260 PolarHBondContact O-N 3.07Å; S258-G260 PolarHBondContact OG-N 3.47Å; S258-D261 WeakPolarHBondContact CA-OD2 3.36Å; S258-D261 WeakPolarHBondContact CB-OD2 3.34Å; S258-D261 PolarHBondContact N-OD2 3.3Å; S258-D261 PolarHBondContact OG-N 3.19Å; S258-D261 PolarHBondContact OG-OD1 2.73Å; S258-D261 PolarHBondContact OG-OD2 3.33Å; S258-Y295 PolarHBondContact O-OH 3.48Å
259	L	91.9	Very high	94	Very high	71 Å²	71	20.5 Å²	20.5	37%	0.372	11%	0.112	S	C	.	.	S	Bend	trans	-71.6	-21.5	171.5	-63.8	177.8	0	0	0	112.5	D261 L262 Y291 Y295	L259-D261 VanDerWaalsContact C-N 3.25Å; L259-D261 PolarHBondContact O-N 3.25Å; L259-L262 HydrophobicContact CB-CD1 4.44Å; L259-L262 HydrophobicContact CD2-CD1 4.12Å; L259-L262 WeakPolarHBondContact O-CB 3.36Å; L259-L262 WeakPolarHBondContact O-CD1 3.12Å; L259-L262 WeakPolarHBondContact O-CG 3.49Å; L259-L262 PolarHBondContact O-N 3.2Å; L259-Y291 HydrophobicContact CD2-CD2 3.96Å; L259-Y291 HydrophobicContact CD2-CE2 4.04Å; L259-Y291 HydrophobicContact CG-CD2 4.45Å; L259-Y291 HydrophobicContact CG-CE2 4.1Å; L259-Y295 HydrophobicContact CD2-CE2 4.38Å
260	G	90.6	Very high	93.7	Very high	10 Å²	10	25.4 Å²	25.4	10%	0.103	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-69.5	-24.1	177.4	0	0	0	0	0	113.5	V229 S258 L262 N263	V229-G260 WeakPolarHBondContact O-CA 3.46Å; S258-G260 PolarHBondContact O-N 3.07Å; S258-G260 PolarHBondContact OG-N 3.47Å; G260-L262 PolarHBondContact O-N 2.83Å; G260-N263 PolarHBondContact O-N 2.82Å
261	D	95.8	Very high	93.6	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-69.6	-20.4	179.9	-61.6	-39.1	0	0	0	113.1	K232 D257 S258 L259 N263 M264	K232-D261 WeakPolarHBondContact CE-OD1 3.47Å; K232-D261 IonicContact NZ-OD1 2.82Å; K232-D261 PolarHBondContact NZ-OD1 2.69Å; D257-D261 PolarHBondContact N-OD2 3.04Å; D257-D261 VanDerWaalsContact N-OD2 3.12Å; S258-D261 WeakPolarHBondContact CA-OD2 3.36Å; S258-D261 WeakPolarHBondContact CB-OD2 3.34Å; S258-D261 PolarHBondContact N-OD2 3.3Å; S258-D261 PolarHBondContact OG-N 3.19Å; S258-D261 PolarHBondContact OG-OD1 2.73Å; S258-D261 PolarHBondContact OG-OD2 3.33Å; L259-D261 VanDerWaalsContact C-N 3.25Å; L259-D261 PolarHBondContact O-N 3.25Å; D261-N263 PolarHBondContact O-N 3.06Å; D261-M264 HydrophobicContact CB-CE 3.62Å; D261-M264 HydrophobicContact CB-SD 4.2Å; D261-M264 WeakPolarHBondContact O-CB 3.34Å; D261-M264 WeakPolarHBondContact O-CE 3.27Å; D261-M264 VanDerWaalsContact O-CG 3.3Å; D261-M264 WeakPolarHBondContact O-CG 3.3Å; D261-M264 PolarHBondContact O-N 3.42Å
262	L	94.6	Very high	93.5	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.12	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-59.8	-19.9	179.1	-65.5	168.5	0	0	0	113.3	L259 G260 K276 S294 Y295	L259-L262 HydrophobicContact CB-CD1 4.44Å; L259-L262 HydrophobicContact CD2-CD1 4.12Å; L259-L262 WeakPolarHBondContact O-CB 3.36Å; L259-L262 WeakPolarHBondContact O-CD1 3.12Å; L259-L262 WeakPolarHBondContact O-CG 3.49Å; L259-L262 PolarHBondContact O-N 3.2Å; G260-L262 PolarHBondContact O-N 2.83Å; L262-K276 HydrophobicContact CD2-CD 3.73Å; L262-S294 VanDerWaalsContact CD1-CB 3.43Å; L262-S294 WeakPolarHBondContact CD2-O 3.4Å; L262-Y295 HydrophobicContact CD1-CE2 4.46Å; L262-Y295 HydrophobicContact CD2-CD1 3.85Å; L262-Y295 HydrophobicContact CD2-CD2 4.07Å; L262-Y295 HydrophobicContact CD2-CE1 3.55Å; L262-Y295 HydrophobicContact CD2-CE2 3.8Å; L262-Y295 HydrophobicContact CD2-CG 4.09Å; L262-Y295 HydrophobicContact CG-CE1 4.42Å; L262-Y295 HydrophobicContact CG-CE2 4.11Å
263	N	91.9	Very high	93.5	Very high	61 Å²	61	38.2 Å²	38.2	33%	0.326	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-96.7	0.5	-179.8	-63.4	116.3	0	0	0	114.2	R233 G260 D261 A265 D266	R233-N263 HydrophobicContact CB-CB 3.82Å; R233-N263 HydrophobicContact CG-CB 4.41Å; G260-N263 PolarHBondContact O-N 2.82Å; D261-N263 PolarHBondContact O-N 3.06Å; N263-A265 PolarHBondContact O-N 3.28Å; N263-D266 PolarHBondContact ND2-OD2 2.96Å; N263-D266 VanDerWaalsContact ND2-OD2 3.08Å; N263-D266 WeakPolarHBondContact O-CB 3.32Å; N263-D266 PolarHBondContact O-N 3.28Å; N263-D266 VanDerWaalsContact O-N 3.12Å
264	M	94.2	Very high	93.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-23	180	-67.3	-174.6	-55.2	0	0	113.3	I66 D68 F182 K232 L254 M255 D261	I66-M264 HydrophobicContact CG2-CB 3.67Å; I66-M264 HydrophobicContact CG2-CE 4.41Å; D68-M264 HydrophobicContact CB-CE 4.2Å; D68-M264 HydrophobicContact CB-SD 4.23Å; F182-M264 HydrophobicContact CB-CG 4.38Å; F182-M264 HydrophobicContact CB-SD 3.89Å; F182-M264 HydrophobicContact CD1-CB 3.93Å; F182-M264 HydrophobicContact CD1-CG 3.84Å; F182-M264 HydrophobicContact CD1-SD 4.42Å; F182-M264 HydrophobicContact CE1-CG 4.45Å; F182-M264 HydrophobicContact CG-CG 4.31Å; F182-M264 HydrophobicContact CG-SD 4.34Å; F182-M264 VanDerWaalsContact O-SD 3.34Å; K232-M264 HydrophobicContact CB-CG 4.11Å; K232-M264 HydrophobicContact CD-CG 3.59Å; K232-M264 HydrophobicContact CD-SD 3.72Å; K232-M264 HydrophobicContact CG-CG 4.49Å; K232-M264 PolarHBondContact NZ-SD 3.11Å; L254-M264 HydrophobicContact CD1-CB 4.27Å; L254-M264 HydrophobicContact CG-CE 4.39Å; M255-M264 VanDerWaalsContact O-CE 3.24Å; M255-M264 WeakPolarHBondContact O-CE 3.47Å; D261-M264 HydrophobicContact CB-CE 3.62Å; D261-M264 HydrophobicContact CB-SD 4.2Å; D261-M264 WeakPolarHBondContact O-CB 3.34Å; D261-M264 WeakPolarHBondContact O-CE 3.27Å; D261-M264 VanDerWaalsContact O-CG 3.3Å; D261-M264 WeakPolarHBondContact O-CG 3.3Å; D261-M264 PolarHBondContact O-N 3.42Å
265	A	92.4	Very high	93.5	Very high	3 Å²	3	39.7 Å²	39.7	3%	0.025	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.3	177.6	0	0	0	0	0	114.1	I66 V252 L254 N263 G267 V268 M271 I274	I66-A265 HydrophobicContact CD1-CB 4.01Å; V252-A265 HydrophobicContact CG1-CB 4.3Å; L254-A265 HydrophobicContact CD1-CB 3.75Å; N263-A265 PolarHBondContact O-N 3.28Å; A265-G267 PolarHBondContact O-N 3.46Å; A265-G267 VanDerWaalsContact O-N 3.11Å; A265-V268 HydrophobicContact CB-CG2 4.27Å; A265-V268 WeakPolarHBondContact O-CB 3.35Å; A265-V268 WeakPolarHBondContact O-CG2 3.36Å; A265-V268 PolarHBondContact O-N 3.2Å; A265-M271 HydrophobicContact CB-SD 4.3Å; A265-I274 HydrophobicContact CB-CD1 3.85Å
266	D	90.2	Very high	93.5	Very high	64 Å²	64	41.9 Å²	41.9	34%	0.342	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-17.8	-174.5	-74.3	6.6	0	0	0	113.1	R233 N263	R233-D266 WeakPolarHBondContact CD-OD2 3.49Å; R233-D266 HydrophobicContact CG-CB 4.23Å; R233-D266 WeakPolarHBondContact CG-OD2 3.36Å; R233-D266 IonicContact NE-OD2 3.7Å; R233-D266 PolarHBondContact NE-OD2 2.95Å; N263-D266 PolarHBondContact ND2-OD2 2.96Å; N263-D266 VanDerWaalsContact ND2-OD2 3.08Å; N263-D266 WeakPolarHBondContact O-CB 3.32Å; N263-D266 PolarHBondContact O-N 3.28Å; N263-D266 VanDerWaalsContact O-N 3.12Å
267	G	86.1	Confident	93.5	Very high	9 Å²	9	41.9 Å²	41.9	9%	0.093	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.4	172.4	0	0	0	0	0	114.7	F243 A265 Q269	F243-G267 WeakPolarHBondContact CB-O 3.4Å; F243-G267 VanDerWaalsContact CG-O 3.3Å; F243-G267 WeakPolarHBondContact CG-O 3.44Å; A265-G267 PolarHBondContact O-N 3.46Å; A265-G267 VanDerWaalsContact O-N 3.11Å; G267-Q269 PolarHBondContact O-N 3.18Å
268	V	88	Confident	93.5	Very high	17 Å²	17	40.3 Å²	40.3	10%	0.103	21%	0.207	C	C	.	.			trans	-73.6	116.4	-177.8	-177.6	0	0	0	0	110.1	I66 F243 V252 A265 M271	I66-V268 HydrophobicContact CD1-CG2 3.69Å; F243-V268 HydrophobicContact CD1-CB 4.47Å; F243-V268 HydrophobicContact CD1-CG2 3.74Å; F243-V268 HydrophobicContact CE1-CG2 3.67Å; V252-V268 HydrophobicContact CG2-CG1 4.11Å; V252-V268 HydrophobicContact CG2-CG2 4.1Å; A265-V268 HydrophobicContact CB-CG2 4.27Å; A265-V268 WeakPolarHBondContact O-CB 3.35Å; A265-V268 WeakPolarHBondContact O-CG2 3.36Å; A265-V268 PolarHBondContact O-N 3.2Å; V268-M271 HydrophobicContact CB-CB 4.37Å; V268-M271 HydrophobicContact CG1-CB 3.91Å; V268-M271 HydrophobicContact CG1-CG 4.29Å
269	Q	84.2	Confident	93.7	Very high	67 Å²	67	39.4 Å²	39.4	31%	0.313	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	142.6	178.4	-62.4	-175.5	-11.6	0	0	111.2	G267 M271	G267-Q269 PolarHBondContact O-N 3.18Å; Q269-M271 PolarHBondContact O-N 3.3Å; Q269-M271 VanDerWaalsContact O-N 3.1Å
270	D	88.3	Confident	94	Very high	138 Å²	138	36 Å²	36	74%	0.738	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	32.5	177.5	-56.4	-47.4	0	0	0	114.3	P250 K272	P250-D270 WeakPolarHBondContact CB-O 3.4Å; D270-K272 PolarHBondContact O-N 2.92Å
271	M	94.3	Very high	94.3	Very high	75 Å²	75	36 Å²	36	37%	0.369	18%	0.18	S	C	.	.			trans	-55.3	125.7	-180	-174.8	171.3	60.6	0	0	110.9	P250 V252 A265 V268 Q269 I274	P250-M271 WeakPolarHBondContact O-CA 3.48Å; V252-M271 HydrophobicContact CB-SD 4.24Å; V252-M271 HydrophobicContact CG2-CG 4.12Å; V252-M271 HydrophobicContact CG2-SD 3.76Å; A265-M271 HydrophobicContact CB-SD 4.3Å; V268-M271 HydrophobicContact CB-CB 4.37Å; V268-M271 HydrophobicContact CG1-CB 3.91Å; V268-M271 HydrophobicContact CG1-CG 4.29Å; Q269-M271 PolarHBondContact O-N 3.3Å; Q269-M271 VanDerWaalsContact O-N 3.1Å; M271-I274 HydrophobicContact CE-CB 4.4Å; M271-I274 HydrophobicContact CE-CD1 4.27Å; M271-I274 HydrophobicContact CE-CG2 4.19Å; M271-I274 HydrophobicContact SD-CB 3.86Å; M271-I274 HydrophobicContact SD-CD1 3.86Å; M271-I274 HydrophobicContact SD-CG1 4.36Å; M271-I274 HydrophobicContact SD-CG2 4.3Å
272	K	96.2	Very high	94	Very high	147 Å²	147	39.6 Å²	39.6	64%	0.639	20%	0.199	S	C	*	.			trans	-97	-51.4	-176.7	-74.1	-176.3	-179	-179.5	0	112.3	P250 D270	P250-K272 HydrophobicContact CB-CB 4.25Å; P250-K272 HydrophobicContact CB-CD 4.25Å; P250-K272 HydrophobicContact CB-CG 3.95Å; P250-K272 HydrophobicContact CG-CB 4.47Å; P250-K272 HydrophobicContact CG-CD 3.86Å; P250-K272 HydrophobicContact CG-CG 4.13Å; P250-K272 PolarHBondContact O-N 3.41Å; D270-K272 PolarHBondContact O-N 2.92Å
273	H	97.8	Very high	93.7	Very high	64 Å²	64	41.9 Å²	41.9	30%	0.296	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	139.2	-177.2	-53.4	-57.8	0	0	0	109.5	L55 N251 V252	L55-H273 HydrophobicContact CD2-CB 3.77Å; L55-H273 HydrophobicContact CG-CB 4.41Å; N251-H273 CarbonylContact C-O 3.59Å; N251-H273 WeakPolarHBondContact CA-O 3.3Å; N251-H273 WeakPolarHBondContact OD1-CB 3.31Å; N251-H273 PolarHBondContact OD1-CD2 3.29Å; N251-H273 PolarHBondContact OD1-N 2.61Å; V252-H273 PolarHBondContact N-O 3.03Å
274	I	98.3	Very high	93.7	Very high	30 Å²	30	40.1 Å²	40.1	15%	0.154	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.8	175.7	-177.5	166	0	0	0	108.9	V252 L254 A265 M271 K276	V252-I274 HydrophobicContact CB-CB 4.29Å; V252-I274 HydrophobicContact CB-CD1 4.3Å; V252-I274 HydrophobicContact CB-CG1 4.03Å; V252-I274 HydrophobicContact CG1-CD1 4.15Å; V252-I274 HydrophobicContact CG1-CG1 4.18Å; V252-I274 VanDerWaalsContact O-CA 3.3Å; V252-I274 WeakPolarHBondContact O-CA 3.47Å; L254-I274 HydrophobicContact CB-CD1 4.06Å; L254-I274 HydrophobicContact CB-CG1 4.3Å; L254-I274 HydrophobicContact CD1-CD1 4.22Å; A265-I274 HydrophobicContact CB-CD1 3.85Å; M271-I274 HydrophobicContact CE-CB 4.4Å; M271-I274 HydrophobicContact CE-CD1 4.27Å; M271-I274 HydrophobicContact CE-CG2 4.19Å; M271-I274 HydrophobicContact SD-CB 3.86Å; M271-I274 HydrophobicContact SD-CD1 3.86Å; M271-I274 HydrophobicContact SD-CG1 4.36Å; M271-I274 HydrophobicContact SD-CG2 4.3Å; I274-K276 HydrophobicContact CD1-CG 4.1Å; I274-K276 HydrophobicContact CG1-CG 3.91Å
275	L	98.7	Very high	93.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	123.9	166.7	-178.3	66.5	0	0	0	108.3	V48 I51 L52 L55 V252 L253 L254 I277 D296 I297 V311	V48-L275 HydrophobicContact CG1-CD1 4.25Å; I51-L275 HydrophobicContact CG2-CB 3.8Å; I51-L275 HydrophobicContact CG2-CD1 4.13Å; L52-L275 HydrophobicContact CD2-CD2 3.71Å; L52-L275 HydrophobicContact CG-CD2 4.43Å; L55-L275 HydrophobicContact CD1-CB 4.01Å; V252-L275 PolarHBondContact O-N 2.62Å; L253-L275 HydrophobicContact CD1-CB 4.24Å; L253-L275 HydrophobicContact CD1-CD2 4.03Å; L253-L275 HydrophobicContact CD1-CG 4.27Å; L254-L275 PolarHBondContact N-O 2.7Å; L275-I277 HydrophobicContact CG-CG1 4.5Å; L275-D296 HydrophobicContact CD1-CB 3.92Å; L275-I297 HydrophobicContact CD1-CD1 4.24Å; L275-I297 HydrophobicContact CD2-CD1 4.35Å; L275-V311 HydrophobicContact CD2-CG1 4.01Å; L275-V311 HydrophobicContact CD2-CG2 4.31Å
276	K	98.9	Very high	93.5	Very high	47 Å²	47	54 Å²	54	20%	0.204	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	122.3	179.8	-53.4	-175.2	-178.8	-170.8	0	110.8	L254 L262 I274 Y295 D296 I297	L254-K276 HydrophobicContact CB-CG 4.4Å; L254-K276 HydrophobicContact CD2-CB 4.33Å; L254-K276 HydrophobicContact CD2-CG 4.29Å; L254-K276 WeakPolarHBondContact O-CA 3.42Å; L262-K276 HydrophobicContact CD2-CD 3.73Å; I274-K276 HydrophobicContact CD1-CG 4.1Å; I274-K276 HydrophobicContact CG1-CG 3.91Å; K276-Y295 HydrophobicContact CB-CD1 3.73Å; K276-Y295 HydrophobicContact CB-CE1 4.34Å; K276-D296 PolarHBondContact N-OD2 3.04Å; K276-D296 PolarHBondContact O-N 2.75Å; K276-I297 PolarHBondContact O-N 2.84Å
277	I	98.9	Very high	93.5	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120	175.3	-55.2	-175.1	0	0	0	109	L253 L254 M255 G256 L275 F279 Y295 I297 L299 I307 P308	L253-I277 HydrophobicContact CD1-CD1 3.79Å; L253-I277 HydrophobicContact CD1-CG1 4.08Å; L254-I277 PolarHBondContact O-N 3.3Å; M255-I277 WeakPolarHBondContact CA-O 3.19Å; M255-I277 HydrophobicContact CG-CB 4.3Å; G256-I277 PolarHBondContact N-O 3.3Å; G256-I277 VanDerWaalsContact N-O 3.14Å; L275-I277 HydrophobicContact CG-CG1 4.5Å; I277-F279 HydrophobicContact CG2-CE2 4.48Å; I277-Y295 VanDerWaalsContact C-CD1 3.48Å; I277-I297 CarbonylContact C-O 3.57Å; I277-I297 WeakPolarHBondContact CA-O 3.45Å; I277-I297 HydrophobicContact CD1-CD1 4.5Å; I277-I297 HydrophobicContact CG1-CB 4.34Å; I277-I297 HydrophobicContact CG1-CD1 4.34Å; I277-L299 HydrophobicContact CG2-CD1 3.66Å; I277-L299 HydrophobicContact CG2-CG 3.95Å; I277-I307 HydrophobicContact CD1-CG2 4.44Å; I277-P308 HydrophobicContact CD1-CG 4.28Å
278	G	98.7	Very high	93.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	127.1	-178.4	0	0	0	0	0	112.3	G256 Y295 I297 V298 L299	G256-G278 CarbonylContact O-C 3.52Å; G256-G278 VanDerWaalsContact O-CA 3.22Å; G256-G278 WeakPolarHBondContact O-CA 3.36Å; G278-Y295 VanDerWaalsContact CA-CD1 3.42Å; G278-Y295 VanDerWaalsContact N-CD1 3.27Å; G278-I297 PolarHBondContact N-O 3.38Å; G278-V298 CarbonylContact O-C 3.54Å; G278-V298 WeakPolarHBondContact O-CA 3.41Å; G278-L299 PolarHBondContact O-N 2.88Å
279	F	98.6	Very high	94.2	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	105.1	172.7	-66.6	-91.2	0	0	0	110.2	T72 R162 M255 G256 D257 I277 N281 L299 L305 P308	T72-F279 HydrophobicContact CG2-CD2 3.98Å; T72-F279 HydrophobicContact CG2-CE2 3.99Å; R162-F279 VanDerWaalsContact NH1-CD1 3.33Å; M255-F279 HydrophobicContact CE-CE2 3.99Å; M255-F279 HydrophobicContact CE-CZ 4.21Å; G256-F279 PolarHBondContact O-N 3.34Å; D257-F279 WeakPolarHBondContact CA-O 3.35Å; D257-F279 HydrophobicContact CB-CB 3.97Å; D257-F279 WeakPolarHBondContact CB-O 3.39Å; I277-F279 HydrophobicContact CG2-CE2 4.48Å; F279-N281 PolarHBondContact O-N 3.37Å; F279-L299 HydrophobicContact CD1-CB 4.15Å; F279-L299 HydrophobicContact CD1-CD1 4.03Å; F279-L299 HydrophobicContact CE1-CB 4.46Å; F279-L299 HydrophobicContact CE1-CD1 3.52Å; F279-L299 HydrophobicContact CZ-CD1 3.84Å; F279-L305 HydrophobicContact CZ-CD2 3.85Å; F279-P308 HydrophobicContact CZ-CG 4.25Å
280	L	97.4	Very high	94.7	Very high	1 Å²	1	58.9 Å²	58.9	1%	0.005	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	90.4	177.1	-179.6	57	0	0	0	109.4	D282 I284 K288 Y291 V298 L299 V300 K301	L280-D282 WeakPolarHBondContact CD1-O 3.39Å; L280-I284 HydrophobicContact CD1-CD1 4.37Å; L280-I284 HydrophobicContact CD2-CD1 4.36Å; L280-I284 HydrophobicContact CD2-CG2 3.98Å; L280-I284 HydrophobicContact CG-CD1 3.75Å; L280-I284 VanDerWaalsContact O-CD1 3.31Å; L280-I284 WeakPolarHBondContact O-CD1 3.36Å; L280-K288 HydrophobicContact CD2-CB 4.07Å; L280-Y291 HydrophobicContact CB-CD1 3.93Å; L280-Y291 HydrophobicContact CB-CE1 4.15Å; L280-Y291 HydrophobicContact CD1-CD1 4.11Å; L280-Y291 HydrophobicContact CD1-CD2 4.15Å; L280-Y291 HydrophobicContact CD1-CE1 3.97Å; L280-Y291 HydrophobicContact CD1-CE2 4Å; L280-Y291 HydrophobicContact CD1-CG 4.19Å; L280-Y291 HydrophobicContact CG-CD1 4.45Å; L280-V298 HydrophobicContact CB-CG1 3.72Å; L280-V298 HydrophobicContact CD2-CG1 4.22Å; L280-L299 PolarHBondContact N-O 3.32Å; L280-V300 HydrophobicContact CD2-CG2 4.43Å; L280-K301 PolarHBondContact O-N 3.4Å
281	N	95.9	Very high	95.1	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.053	26%	0.255	C	S	.	.			trans	-89.3	-31.5	-171.2	-61.1	-52	0	0	0	114.1	M71 F76 R162 F279	M71-N281 PolarHBondContact O-ND2 2.92Å; F76-N281 HydrophobicContact CB-CB 3.79Å; F76-N281 HydrophobicContact CD1-CB 4.16Å; F76-N281 HydrophobicContact CD2-CB 3.17Å; F76-N281 HydrophobicContact CE2-CB 3.52Å; F76-N281 HydrophobicContact CG-CB 3.49Å; F76-N281 VanDerWaalsContact CG-CB 3.49Å; F76-N281 HydrophobicContact CZ-CB 4.23Å; R162-N281 PolarHBondContact NH2-OD1 3.47Å; F279-N281 PolarHBondContact O-N 3.37Å
282	D	90.8	Very high	95.3	Very high	76 Å²	76	51.1 Å²	51.1	41%	0.406	24%	0.244	S	C	.	.	S	Bend	trans	-137	166.4	-175.9	-157.6	0.3	0	0	0	111.7	F76 L280 I284	F76-D282 HydrophobicContact CE2-CB 3.85Å; F76-D282 HydrophobicContact CZ-CB 3.65Å; L280-D282 WeakPolarHBondContact CD1-O 3.39Å; D282-I284 PolarHBondContact O-N 3.23Å
283	K	88.4	Confident	95.3	Very high	71 Å²	71	48 Å²	48	31%	0.309	23%	0.234	S	C	.	.			trans	48.5	48.3	175.2	-60.9	-174.5	174.6	-162.7	0	112.9	E285 E286 S287	K283-E285 PolarHBondContact O-N 3.36Å; K283-E286 WeakPolarHBondContact CA-OE2 2.95Å; K283-E286 HydrophobicContact CB-CB 4.47Å; K283-E286 WeakPolarHBondContact CB-OE2 3.34Å; K283-E286 PolarHBondContact O-N 2.98Å; K283-S287 WeakPolarHBondContact O-CB 3.15Å; K283-S287 PolarHBondContact O-N 3.5Å; K283-S287 PolarHBondContact O-OG 2.95Å; K283-S287 VanDerWaalsContact O-OG 3.06Å
284	I	92.3	Very high	95.3	Very high	24 Å²	24	47 Å²	47	12%	0.123	24%	0.235	C	C	.	.	H	α-helix	trans	-59	-49.8	-168.6	-47.1	-54.9	0	0	0	109.9	L280 D282 E286 S287 K288 V300 K301	L280-I284 HydrophobicContact CD1-CD1 4.37Å; L280-I284 HydrophobicContact CD2-CD1 4.36Å; L280-I284 HydrophobicContact CD2-CG2 3.98Å; L280-I284 HydrophobicContact CG-CD1 3.75Å; L280-I284 VanDerWaalsContact O-CD1 3.31Å; L280-I284 WeakPolarHBondContact O-CD1 3.36Å; D282-I284 PolarHBondContact O-N 3.23Å; I284-E286 VanDerWaalsContact C-N 3.34Å; I284-E286 PolarHBondContact O-N 2.95Å; I284-S287 PolarHBondContact O-N 3.42Å; I284-K288 WeakPolarHBondContact O-CA 3.4Å; I284-K288 WeakPolarHBondContact O-CB 3.3Å; I284-K288 PolarHBondContact O-N 2.64Å; I284-V300 HydrophobicContact CD1-CG1 4.12Å; I284-V300 HydrophobicContact CG1-CG1 4.34Å; I284-V300 HydrophobicContact CG2-CG1 3.78Å; I284-K301 HydrophobicContact CD1-CG 4.06Å; I284-K301 HydrophobicContact CG1-CG 4.49Å
285	E	91.4	Very high	95.3	Very high	160 Å²	160	45.9 Å²	45.9	75%	0.748	23%	0.229	S	C	*	.	H	α-helix	trans	-64.3	-39.1	-176.5	-63.1	-55.3	137	0	0	112.1	K283	K283-E285 PolarHBondContact O-N 3.36Å
286	E	89.4	Confident	95.3	Very high	135 Å²	135	46.6 Å²	46.6	63%	0.631	23%	0.232	S	C	*	.	H	α-helix	trans	-74.7	-34.9	-178.5	-57.4	90.3	162.9	0	0	112.8	K283 I284	K283-E286 WeakPolarHBondContact CA-OE2 2.95Å; K283-E286 HydrophobicContact CB-CB 4.47Å; K283-E286 WeakPolarHBondContact CB-OE2 3.34Å; K283-E286 PolarHBondContact O-N 2.98Å; I284-E286 VanDerWaalsContact C-N 3.34Å; I284-E286 PolarHBondContact O-N 2.95Å
287	S	90	Very high	95.3	Very high	21 Å²	21	44.3 Å²	44.3	15%	0.147	22%	0.223	C	C	.	.	H	α-helix	trans	-104.8	-15.2	-169.8	-45.8	0	0	0	0	113.6	K283 I284 Q289 S290 Y291	K283-S287 WeakPolarHBondContact O-CB 3.15Å; K283-S287 PolarHBondContact O-N 3.5Å; K283-S287 PolarHBondContact O-OG 2.95Å; K283-S287 VanDerWaalsContact O-OG 3.06Å; I284-S287 PolarHBondContact O-N 3.42Å; S287-Q289 VanDerWaalsContact C-N 3.28Å; S287-Q289 PolarHBondContact O-N 3.45Å; S287-S290 PolarHBondContact O-N 3.24Å; S287-S290 PolarHBondContact O-OG 3.33Å; S287-Y291 WeakPolarHBondContact O-CD2 3.18Å; S287-Y291 PolarHBondContact O-N 3.23Å
288	K	94.6	Very high	95.3	Very high	80 Å²	80	44.4 Å²	44.4	35%	0.348	22%	0.223	S	C	.	.	H	α-helix	trans	-53.2	-43.3	-175.4	171	175.2	-179.5	174.1	0	113.3	L41 L280 I284 Y291 L292	L41-K288 HydrophobicContact CD1-CD 4.22Å; L41-K288 HydrophobicContact CD1-CG 4.3Å; L280-K288 HydrophobicContact CD2-CB 4.07Å; I284-K288 WeakPolarHBondContact O-CA 3.4Å; I284-K288 WeakPolarHBondContact O-CB 3.3Å; I284-K288 PolarHBondContact O-N 2.64Å; K288-Y291 PolarHBondContact O-N 3.3Å; K288-L292 HydrophobicContact CG-CD1 3.91Å; K288-L292 HydrophobicContact CG-CG 4.47Å; K288-L292 WeakPolarHBondContact O-CB 3.34Å; K288-L292 VanDerWaalsContact O-CG 3.32Å; K288-L292 WeakPolarHBondContact O-CG 3.29Å; K288-L292 PolarHBondContact O-N 3.01Å
289	Q	95.8	Very high	95.3	Very high	116 Å²	116	44.4 Å²	44.4	54%	0.542	22%	0.223	S	C	.	.	H	α-helix	trans	-67.2	-45.1	-178.1	-171.6	57.3	52.9	0	0	111.9	S287 Y291 L292 D293	S287-Q289 VanDerWaalsContact C-N 3.28Å; S287-Q289 PolarHBondContact O-N 3.45Å; Q289-Y291 VanDerWaalsContact C-N 3.3Å; Q289-Y291 PolarHBondContact O-N 2.86Å; Q289-L292 PolarHBondContact O-N 3.12Å; Q289-D293 VanDerWaalsContact NE2-CG 3.3Å; Q289-D293 PolarHBondContact NE2-OD1 3.42Å; Q289-D293 PolarHBondContact NE2-OD2 2.8Å; Q289-D293 VanDerWaalsContact NE2-OD2 3.14Å; Q289-D293 WeakPolarHBondContact O-CB 3.45Å; Q289-D293 PolarHBondContact O-N 3.17Å
290	S	94.1	Very high	95.3	Very high	41 Å²	41	45.6 Å²	45.6	29%	0.287	23%	0.23	S	C	.	.	H	α-helix	trans	-65.6	-34.3	178.9	57.6	0	0	0	0	112.1	S287 D293 S294	S287-S290 PolarHBondContact O-N 3.24Å; S287-S290 PolarHBondContact O-OG 3.33Å; S290-D293 PolarHBondContact O-N 3.4Å; S290-S294 VanDerWaalsContact O-CB 3.29Å; S290-S294 WeakPolarHBondContact O-CB 3.2Å; S290-S294 PolarHBondContact O-N 2.7Å; S290-S294 PolarHBondContact O-OG 3.26Å
291	Y	97.1	Very high	95.2	Very high	25 Å²	25	51.8 Å²	51.8	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-67.9	-47.6	174.3	-82.7	-120.2	0	0	0	111.3	D257 L259 L280 S287 K288 Q289 D293 S294 Y295 V298	D257-Y291 PolarHBondContact O-OH 3.08Å; L259-Y291 HydrophobicContact CD2-CD2 3.96Å; L259-Y291 HydrophobicContact CD2-CE2 4.04Å; L259-Y291 HydrophobicContact CG-CD2 4.45Å; L259-Y291 HydrophobicContact CG-CE2 4.1Å; L280-Y291 HydrophobicContact CB-CD1 3.93Å; L280-Y291 HydrophobicContact CB-CE1 4.15Å; L280-Y291 HydrophobicContact CD1-CD1 4.11Å; L280-Y291 HydrophobicContact CD1-CD2 4.15Å; L280-Y291 HydrophobicContact CD1-CE1 3.97Å; L280-Y291 HydrophobicContact CD1-CE2 4Å; L280-Y291 HydrophobicContact CD1-CG 4.19Å; L280-Y291 HydrophobicContact CG-CD1 4.45Å; S287-Y291 WeakPolarHBondContact O-CD2 3.18Å; S287-Y291 PolarHBondContact O-N 3.23Å; K288-Y291 PolarHBondContact O-N 3.3Å; Q289-Y291 VanDerWaalsContact C-N 3.3Å; Q289-Y291 PolarHBondContact O-N 2.86Å; Y291-D293 PolarHBondContact O-N 3.25Å; Y291-S294 PolarHBondContact O-N 3.04Å; Y291-Y295 AromaticContact CD1-CD2 3.96Å; Y291-Y295 HydrophobicContact CD1-CD2 3.96Å; Y291-Y295 HydrophobicContact CD1-CE2 4.1Å; Y291-Y295 HydrophobicContact CE1-CE2 4.26Å; Y291-Y295 HydrophobicContact CG-CD2 4.38Å; Y291-Y295 WeakPolarHBondContact O-CB 3.43Å; Y291-Y295 PolarHBondContact O-N 3.27Å; Y291-V298 HydrophobicContact CD1-CG1 4.41Å
292	L	97.6	Very high	95.3	Very high	26 Å²	26	52.2 Å²	52.2	14%	0.136	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-29.9	176.6	-77.8	175.3	0	0	0	113.3	L41 K43 K288 Q289 S294 V298	L41-L292 HydrophobicContact CB-CD2 3.75Å; K43-L292 HydrophobicContact CB-CB 4.28Å; K43-L292 HydrophobicContact CB-CD2 4.42Å; K43-L292 WeakPolarHBondContact CB-O 3.37Å; K43-L292 VanDerWaalsContact CD-O 3.28Å; K43-L292 WeakPolarHBondContact CD-O 3.41Å; K288-L292 HydrophobicContact CG-CD1 3.91Å; K288-L292 HydrophobicContact CG-CG 4.47Å; K288-L292 WeakPolarHBondContact O-CB 3.34Å; K288-L292 VanDerWaalsContact O-CG 3.32Å; K288-L292 WeakPolarHBondContact O-CG 3.29Å; K288-L292 PolarHBondContact O-N 3.01Å; Q289-L292 PolarHBondContact O-N 3.12Å; L292-S294 VanDerWaalsContact C-N 3.31Å; L292-V298 HydrophobicContact CD2-CB 4.47Å; L292-V298 HydrophobicContact CD2-CG2 4.1Å
293	D	97.6	Very high	95.6	Very high	80 Å²	80	50 Å²	50	43%	0.428	25%	0.247	S	C	.	.	H	α-helix	trans	-76.9	-19.8	176.7	-69.2	-25.4	0	0	0	113	K43 Q289 S290 Y291	K43-D293 WeakPolarHBondContact CD-OD1 3.42Å; K43-D293 WeakPolarHBondContact CE-OD1 3.28Å; K43-D293 IonicContact NZ-OD1 2.62Å; K43-D293 PolarHBondContact NZ-OD1 2.82Å; Q289-D293 VanDerWaalsContact NE2-CG 3.3Å; Q289-D293 PolarHBondContact NE2-OD1 3.42Å; Q289-D293 PolarHBondContact NE2-OD2 2.8Å; Q289-D293 VanDerWaalsContact NE2-OD2 3.14Å; Q289-D293 WeakPolarHBondContact O-CB 3.45Å; Q289-D293 PolarHBondContact O-N 3.17Å; S290-D293 PolarHBondContact O-N 3.4Å; Y291-D293 PolarHBondContact O-N 3.25Å
294	S	97.1	Very high	96.1	Very high	45 Å²	45	47.4 Å²	47.4	32%	0.315	24%	0.237	S	C	.	.	H	α-helix	trans	-118.7	-31	-167.5	-49.4	0	0	0	0	115	L262 S290 Y291 L292	L262-S294 VanDerWaalsContact CD1-CB 3.43Å; L262-S294 WeakPolarHBondContact CD2-O 3.4Å; S290-S294 VanDerWaalsContact O-CB 3.29Å; S290-S294 WeakPolarHBondContact O-CB 3.2Å; S290-S294 PolarHBondContact O-N 2.7Å; S290-S294 PolarHBondContact O-OG 3.26Å; Y291-S294 PolarHBondContact O-N 3.04Å; L292-S294 VanDerWaalsContact C-N 3.31Å
295	Y	98.6	Very high	96.4	Very high	5 Å²	5	46.2 Å²	46.2	2%	0.02	23%	0.232	C	C	.	.			trans	-102.9	144.8	175.6	-75.9	-80.2	0	0	0	110.5	L254 S258 L259 L262 K276 I277 G278 Y291	L254-Y295 HydrophobicContact CD2-CE1 4.11Å; S258-Y295 PolarHBondContact O-OH 3.48Å; L259-Y295 HydrophobicContact CD2-CE2 4.38Å; L262-Y295 HydrophobicContact CD1-CE2 4.46Å; L262-Y295 HydrophobicContact CD2-CD1 3.85Å; L262-Y295 HydrophobicContact CD2-CD2 4.07Å; L262-Y295 HydrophobicContact CD2-CE1 3.55Å; L262-Y295 HydrophobicContact CD2-CE2 3.8Å; L262-Y295 HydrophobicContact CD2-CG 4.09Å; L262-Y295 HydrophobicContact CG-CE1 4.42Å; L262-Y295 HydrophobicContact CG-CE2 4.11Å; K276-Y295 HydrophobicContact CB-CD1 3.73Å; K276-Y295 HydrophobicContact CB-CE1 4.34Å; I277-Y295 VanDerWaalsContact C-CD1 3.48Å; G278-Y295 VanDerWaalsContact CA-CD1 3.42Å; G278-Y295 VanDerWaalsContact N-CD1 3.27Å; Y291-Y295 AromaticContact CD1-CD2 3.96Å; Y291-Y295 HydrophobicContact CD1-CD2 3.96Å; Y291-Y295 HydrophobicContact CD1-CE2 4.1Å; Y291-Y295 HydrophobicContact CE1-CE2 4.26Å; Y291-Y295 HydrophobicContact CG-CD2 4.38Å; Y291-Y295 WeakPolarHBondContact O-CB 3.43Å; Y291-Y295 PolarHBondContact O-N 3.27Å
296	D	98.6	Very high	96.7	Very high	15 Å²	15	42.9 Å²	42.9	8%	0.08	22%	0.216	C	C	.	.	S	Bend	trans	-76	-38	177.7	-56.9	-70.3	0	0	0	110.5	R47 V48 L275 K276	R47-D296 IonicContact CZ-OD1 3.61Å; R47-D296 IonicContact NE-OD1 2.64Å; R47-D296 PolarHBondContact NE-OD1 2.95Å; R47-D296 IonicContact NH2-OD1 2.95Å; V48-D296 HydrophobicContact CG2-CB 4.01Å; V48-D296 WeakPolarHBondContact CG2-O 3.47Å; L275-D296 HydrophobicContact CD1-CB 3.92Å; K276-D296 PolarHBondContact N-OD2 3.04Å; K276-D296 PolarHBondContact O-N 2.75Å
297	I	98.7	Very high	97.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	131.2	174.1	-58.9	169.1	0	0	0	109.1	L35 V40 M42 V48 L275 K276 I277 G278 L299 I307	L35-I297 HydrophobicContact CD2-CD1 3.93Å; V40-I297 HydrophobicContact CG1-CG2 3.78Å; M42-I297 HydrophobicContact CG-CG1 4.06Å; M42-I297 HydrophobicContact SD-CG1 4.23Å; V48-I297 HydrophobicContact CG1-CD1 3.88Å; V48-I297 HydrophobicContact CG1-CG1 4Å; V48-I297 HydrophobicContact CG2-CG1 4.09Å; L275-I297 HydrophobicContact CD1-CD1 4.24Å; L275-I297 HydrophobicContact CD2-CD1 4.35Å; K276-I297 PolarHBondContact O-N 2.84Å; I277-I297 CarbonylContact C-O 3.57Å; I277-I297 WeakPolarHBondContact CA-O 3.45Å; I277-I297 HydrophobicContact CD1-CD1 4.5Å; I277-I297 HydrophobicContact CG1-CB 4.34Å; I277-I297 HydrophobicContact CG1-CD1 4.34Å; G278-I297 PolarHBondContact N-O 3.38Å; I297-L299 HydrophobicContact CG2-CD2 3.82Å; I297-L299 HydrophobicContact CG2-CG 4.45Å; I297-I307 HydrophobicContact CD1-CG2 4.47Å; I297-I307 HydrophobicContact CG2-CG2 4.44Å
298	V	98.8	Very high	97.5	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.006	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.4	175.9	-179.7	0	0	0	0	109.7	L41 G278 L280 Y291 L292 V300	L41-V298 HydrophobicContact CB-CB 4.28Å; L41-V298 PolarHBondContact N-O 2.95Å; L41-V298 PolarHBondContact O-N 2.91Å; G278-V298 CarbonylContact O-C 3.54Å; G278-V298 WeakPolarHBondContact O-CA 3.41Å; L280-V298 HydrophobicContact CB-CG1 3.72Å; L280-V298 HydrophobicContact CD2-CG1 4.22Å; Y291-V298 HydrophobicContact CD1-CG1 4.41Å; L292-V298 HydrophobicContact CD2-CB 4.47Å; L292-V298 HydrophobicContact CD2-CG2 4.1Å; V298-V300 HydrophobicContact CG1-CG2 4.32Å
299	L	98.6	Very high	97.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	109.7	179.6	-53.7	-178.2	0	0	0	109.2	V40 I277 G278 F279 L280 I297 D302 I307	V40-L299 HydrophobicContact CB-CD2 4.43Å; V40-L299 HydrophobicContact CG1-CD2 4.16Å; V40-L299 HydrophobicContact CG2-CD2 3.89Å; I277-L299 HydrophobicContact CG2-CD1 3.66Å; I277-L299 HydrophobicContact CG2-CG 3.95Å; G278-L299 PolarHBondContact O-N 2.88Å; F279-L299 HydrophobicContact CD1-CB 4.15Å; F279-L299 HydrophobicContact CD1-CD1 4.03Å; F279-L299 HydrophobicContact CE1-CB 4.46Å; F279-L299 HydrophobicContact CE1-CD1 3.52Å; F279-L299 HydrophobicContact CZ-CD1 3.84Å; L280-L299 PolarHBondContact N-O 3.32Å; I297-L299 HydrophobicContact CG2-CD2 3.82Å; I297-L299 HydrophobicContact CG2-CG 4.45Å; L299-D302 HydrophobicContact CB-CB 3.89Å; L299-I307 HydrophobicContact CD1-CB 4.22Å; L299-I307 HydrophobicContact CD1-CG1 4.47Å; L299-I307 HydrophobicContact CD2-CB 4.09Å; L299-I307 HydrophobicContact CD2-CG1 3.7Å; L299-I307 HydrophobicContact CD2-CG2 4.36Å
300	V	98	Very high	97.7	Very high	26 Å²	26	27.2 Å²	27.2	16%	0.158	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	116.3	-174.1	178.9	0	0	0	0	110.4	S39 L41 L280 I284 V298 D302	S39-V300 PolarHBondContact O-N 3.46Å; L41-V300 HydrophobicContact CD1-CG2 3.49Å; L41-V300 VanDerWaalsContact CD1-CG2 3.49Å; L41-V300 HydrophobicContact CG-CG2 3.9Å; L280-V300 HydrophobicContact CD2-CG2 4.43Å; I284-V300 HydrophobicContact CD1-CG1 4.12Å; I284-V300 HydrophobicContact CG1-CG1 4.34Å; I284-V300 HydrophobicContact CG2-CG1 3.78Å; V298-V300 HydrophobicContact CG1-CG2 4.32Å; V300-D302 PolarHBondContact O-N 3.03Å
301	K	96.4	Very high	97.8	Very high	130 Å²	130	25.2 Å²	25.2	57%	0.565	13%	0.13	S	C	*	.	S	Bend	trans	50	29.8	179.9	-59.9	-177.5	175	-180	0	113.8	L280 I284	L280-K301 PolarHBondContact O-N 3.4Å; I284-K301 HydrophobicContact CD1-CG 4.06Å; I284-K301 HydrophobicContact CG1-CG 4.49Å
302	D	97	Very high	97.9	Very high	20 Å²	20	24 Å²	24	11%	0.107	13%	0.126	C	C	.	.			trans	-71.1	148.2	169.7	-160	-36.4	0	0	0	107.7	R162 L299 V300 S304	R162-D302 PolarHBondContact NH1-O 2.89Å; L299-D302 HydrophobicContact CB-CB 3.89Å; V300-D302 PolarHBondContact O-N 3.03Å; D302-S304 WeakPolarHBondContact OD1-CA 3.24Å; D302-S304 VanDerWaalsContact OD1-CB 3.26Å; D302-S304 WeakPolarHBondContact OD1-CB 3.34Å; D302-S304 PolarHBondContact OD1-N 2.88Å; D302-S304 PolarHBondContact OD1-OG 3.18Å
303	E	97.8	Very high	97.8	Very high	29 Å²	29	25.3 Å²	25.3	14%	0.136	13%	0.131	C	C	.	.			trans	-125.9	17.8	173.3	-66.3	-65.3	178.3	0	0	111.3	R75 F76 Q77 R162 E163	R75-E303 WeakPolarHBondContact CA-OE2 3.49Å; R75-E303 WeakPolarHBondContact CB-OE2 3.27Å; R75-E303 HydrophobicContact CG-CB 4.46Å; R75-E303 WeakPolarHBondContact CG-OE2 3.37Å; F76-E303 WeakPolarHBondContact CB-OE1 3.35Å; F76-E303 PolarHBondContact N-OE1 3.14Å; F76-E303 PolarHBondContact N-OE2 3.29Å; Q77-E303 WeakPolarHBondContact CG-OE1 3.32Å; Q77-E303 PolarHBondContact N-OE1 3.03Å; R162-E303 WeakPolarHBondContact CA-O 3.39Å; R162-E303 WeakPolarHBondContact CB-O 3.36Å; R162-E303 IonicContact NH1-OE2 3.84Å; E163-E303 PolarHBondContact N-O 2.93Å
304	S	98.2	Very high	97.6	Very high	16 Å²	16	22.5 Å²	22.5	11%	0.112	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-121.9	169	-176.5	82.9	0	0	0	0	112.1	E163 D302 E306	E163-S304 CarbonylContact O-C 3.51Å; E163-S304 WeakPolarHBondContact O-CA 3.23Å; D302-S304 WeakPolarHBondContact OD1-CA 3.24Å; D302-S304 VanDerWaalsContact OD1-CB 3.26Å; D302-S304 WeakPolarHBondContact OD1-CB 3.34Å; D302-S304 PolarHBondContact OD1-N 2.88Å; D302-S304 PolarHBondContact OD1-OG 3.18Å; S304-E306 WeakPolarHBondContact OG-CB 3.35Å; S304-E306 PolarHBondContact OG-N 3.17Å
305	L	98.6	Very high	97.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.			trans	-109.2	28.5	166	-65.7	174.1	0	0	0	110.8	L73 R162 E163 F168 M255 F279 P308 N309	L73-L305 HydrophobicContact CD2-CD1 4.17Å; L73-L305 HydrophobicContact CD2-CD2 4.48Å; R162-L305 HydrophobicContact CB-CD1 4.35Å; R162-L305 HydrophobicContact CB-CD2 4.39Å; R162-L305 HydrophobicContact CB-CG 3.82Å; E163-L305 PolarHBondContact O-N 2.82Å; F168-L305 HydrophobicContact CB-CD1 3.94Å; F168-L305 HydrophobicContact CD1-CD1 4.27Å; F168-L305 HydrophobicContact CD2-CD1 4.5Å; F168-L305 HydrophobicContact CG-CD1 4.01Å; M255-L305 HydrophobicContact CE-CD2 3.56Å; F279-L305 HydrophobicContact CZ-CD2 3.85Å; L305-P308 HydrophobicContact CB-CB 4.46Å; L305-P308 HydrophobicContact CB-CG 4.45Å; L305-P308 HydrophobicContact CD2-CB 4.44Å; L305-P308 HydrophobicContact CD2-CG 3.98Å; L305-P308 WeakPolarHBondContact O-CD 3.28Å; L305-N309 WeakPolarHBondContact O-CB 3.21Å; L305-N309 VanDerWaalsContact O-CG 3.27Å; L305-N309 PolarHBondContact O-N 2.85Å; L305-N309 PolarHBondContact O-ND2 3.21Å; L305-N309 VanDerWaalsContact O-ND2 3.1Å
306	E	97.7	Very high	97.4	Very high	89 Å²	89	21.2 Å²	21.2	42%	0.416	11%	0.106	S	C	.	.	H	α-helix	trans	-57.6	-52.1	-178.8	-176.3	178.5	-113.2	0	0	111.6	E34 N37 S304 N309 A310	E34-E306 HydrophobicContact CB-CG 4.24Å; E34-E306 HydrophobicContact CG-CG 3.8Å; N37-E306 PolarHBondContact ND2-OE2 3.25Å; S304-E306 WeakPolarHBondContact OG-CB 3.35Å; S304-E306 PolarHBondContact OG-N 3.17Å; E306-N309 PolarHBondContact O-N 3.42Å; E306-A310 WeakPolarHBondContact O-CB 3.42Å; E306-A310 PolarHBondContact O-N 3.22Å
307	I	98	Very high	96.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.8	-50.1	178.8	-56.5	-57.8	0	0	0	112.3	E34 L35 V40 I277 I297 L299 N309 A310 V311	E34-I307 VanDerWaalsContact C-CD1 3.44Å; E34-I307 HydrophobicContact CB-CD1 3.39Å; E34-I307 WeakPolarHBondContact O-CD1 3.37Å; L35-I307 HydrophobicContact CD2-CD1 4.37Å; L35-I307 HydrophobicContact CD2-CG2 3.84Å; V40-I307 HydrophobicContact CG2-CD1 3.91Å; V40-I307 HydrophobicContact CG2-CG1 3.93Å; I277-I307 HydrophobicContact CD1-CG2 4.44Å; I297-I307 HydrophobicContact CD1-CG2 4.47Å; I297-I307 HydrophobicContact CG2-CG2 4.44Å; L299-I307 HydrophobicContact CD1-CB 4.22Å; L299-I307 HydrophobicContact CD1-CG1 4.47Å; L299-I307 HydrophobicContact CD2-CB 4.09Å; L299-I307 HydrophobicContact CD2-CG1 3.7Å; L299-I307 HydrophobicContact CD2-CG2 4.36Å; I307-N309 VanDerWaalsContact C-N 3.31Å; I307-N309 PolarHBondContact O-N 3.4Å; I307-A310 PolarHBondContact O-N 3.33Å; I307-V311 WeakPolarHBondContact O-CG2 3.46Å; I307-V311 PolarHBondContact O-N 3.38Å
308	P	98.3	Very high	95	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-53.5	-44.5	171.9	-28.9	35.1	0	0	0	113.7	F168 M255 I277 F279 L305 V311 L312	F168-P308 HydrophobicContact CD2-CB 4.17Å; F168-P308 HydrophobicContact CE2-CB 4.06Å; M255-P308 HydrophobicContact CE-CB 4.15Å; M255-P308 HydrophobicContact CE-CG 3.89Å; M255-P308 HydrophobicContact SD-CB 4.05Å; M255-P308 HydrophobicContact SD-CG 4.18Å; I277-P308 HydrophobicContact CD1-CG 4.28Å; F279-P308 HydrophobicContact CZ-CG 4.25Å; L305-P308 HydrophobicContact CB-CB 4.46Å; L305-P308 HydrophobicContact CB-CG 4.45Å; L305-P308 HydrophobicContact CD2-CB 4.44Å; L305-P308 HydrophobicContact CD2-CG 3.98Å; L305-P308 WeakPolarHBondContact O-CD 3.28Å; P308-V311 PolarHBondContact O-N 2.9Å; P308-L312 WeakPolarHBondContact O-CG 3.32Å; P308-L312 PolarHBondContact O-N 3.15Å
309	N	98.3	Very high	92.5	Very high	11 Å²	11	37.3 Å²	37.3	6%	0.059	20%	0.199	C	C	.	.	H	α-helix	trans	-64.7	-41.8	178.8	-81.4	-37.7	0	0	0	112.2	G164 L167 F168 L305 E306 I307 L312 Q313	G164-N309 PolarHBondContact O-ND2 2.96Å; L167-N309 HydrophobicContact CD2-CB 4.03Å; F168-N309 WeakPolarHBondContact CA-OD1 3.29Å; F168-N309 VanDerWaalsContact CB-OD1 3.28Å; F168-N309 WeakPolarHBondContact CB-OD1 3.46Å; F168-N309 PolarHBondContact N-OD1 2.97Å; F168-N309 VanDerWaalsContact N-OD1 3.15Å; L305-N309 WeakPolarHBondContact O-CB 3.21Å; L305-N309 VanDerWaalsContact O-CG 3.27Å; L305-N309 PolarHBondContact O-N 2.85Å; L305-N309 PolarHBondContact O-ND2 3.21Å; L305-N309 VanDerWaalsContact O-ND2 3.1Å; E306-N309 PolarHBondContact O-N 3.42Å; I307-N309 VanDerWaalsContact C-N 3.31Å; I307-N309 PolarHBondContact O-N 3.4Å; N309-L312 PolarHBondContact O-N 3.25Å; N309-Q313 WeakPolarHBondContact O-CB 3.39Å; N309-Q313 PolarHBondContact O-N 2.91Å
310	A	96.9	Very high	92.2	Very high	12 Å²	12	39.2 Å²	39.2	10%	0.099	21%	0.209	C	C	.	.	H	α-helix	trans	-68.5	-36.2	178.7	0	0	0	0	0	112.1	I32 E306 I307 Q313 L314	I32-A310 HydrophobicContact CG1-CB 4.5Å; I32-A310 HydrophobicContact CG2-CB 3.6Å; E306-A310 WeakPolarHBondContact O-CB 3.42Å; E306-A310 PolarHBondContact O-N 3.22Å; I307-A310 PolarHBondContact O-N 3.33Å; A310-Q313 WeakPolarHBondContact O-CB 3.29Å; A310-Q313 PolarHBondContact O-N 2.94Å; A310-L314 WeakPolarHBondContact O-CB 2.97Å; A310-L314 PolarHBondContact O-N 3.25Å
311	V	97.1	Very high	91.9	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-48.5	169.4	169.8	0	0	0	0	110.7	I32 L52 L275 I307 P308 Q313 L314 L315	I32-V311 HydrophobicContact CD1-CG2 4.09Å; L52-V311 HydrophobicContact CD2-CG1 3.88Å; L52-V311 HydrophobicContact CD2-CG2 4.17Å; L275-V311 HydrophobicContact CD2-CG1 4.01Å; L275-V311 HydrophobicContact CD2-CG2 4.31Å; I307-V311 WeakPolarHBondContact O-CG2 3.46Å; I307-V311 PolarHBondContact O-N 3.38Å; P308-V311 PolarHBondContact O-N 2.9Å; V311-Q313 VanDerWaalsContact C-N 3.33Å; V311-Q313 PolarHBondContact O-N 3.02Å; V311-L314 WeakPolarHBondContact O-CB 3.31Å; V311-L314 PolarHBondContact O-N 3.23Å; V311-L315 HydrophobicContact CG1-CD1 3.92Å; V311-L315 HydrophobicContact CG1-CG 4.44Å; V311-L315 VanDerWaalsContact O-CG 3.29Å; V311-L315 WeakPolarHBondContact O-CG 3.46Å; V311-L315 PolarHBondContact O-N 3.05Å
312	L	97.4	Very high	91.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63	-40.1	178	-71.1	175.5	0	0	0	111.9	L63 V65 F168 L172 L253 P308 N309 L314 L315 T316	L63-L312 HydrophobicContact CD2-CD2 4.02Å; V65-L312 HydrophobicContact CG2-CD2 4.5Å; F168-L312 HydrophobicContact CD2-CD1 3.49Å; F168-L312 VanDerWaalsContact CD2-CD1 3.49Å; F168-L312 HydrophobicContact CE2-CD1 3.62Å; F168-L312 HydrophobicContact CG-CD1 4.44Å; L172-L312 HydrophobicContact CD1-CD1 4.47Å; L172-L312 HydrophobicContact CD2-CD1 3.76Å; L172-L312 HydrophobicContact CD2-CD2 3.74Å; L172-L312 HydrophobicContact CD2-CG 4.42Å; L172-L312 HydrophobicContact CG-CD1 3.99Å; L253-L312 HydrophobicContact CD2-CD2 4.07Å; L253-L312 HydrophobicContact CD2-CG 4.3Å; P308-L312 WeakPolarHBondContact O-CG 3.32Å; P308-L312 PolarHBondContact O-N 3.15Å; N309-L312 PolarHBondContact O-N 3.25Å; L312-L314 VanDerWaalsContact C-N 3.34Å; L312-L314 PolarHBondContact O-N 2.64Å; L312-L315 PolarHBondContact O-N 3.14Å; L312-T316 WeakPolarHBondContact O-CB 3.4Å; L312-T316 WeakPolarHBondContact O-CG2 3.44Å; L312-T316 PolarHBondContact O-N 2.82Å; L312-T316 PolarHBondContact O-OG1 3.11Å
313	Q	95.6	Very high	91.4	Very high	53 Å²	53	35.8 Å²	35.8	25%	0.248	20%	0.198	C	C	.	.	H	α-helix	trans	-56.5	-48.6	174.9	-174.7	72.8	37.2	0	0	111.1	N309 A310 V311 L315 T316 G317 N318	N309-Q313 WeakPolarHBondContact O-CB 3.39Å; N309-Q313 PolarHBondContact O-N 2.91Å; A310-Q313 WeakPolarHBondContact O-CB 3.29Å; A310-Q313 PolarHBondContact O-N 2.94Å; V311-Q313 VanDerWaalsContact C-N 3.33Å; V311-Q313 PolarHBondContact O-N 3.02Å; Q313-L315 VanDerWaalsContact C-N 3.34Å; Q313-L315 PolarHBondContact O-N 3.37Å; Q313-T316 PolarHBondContact O-N 2.94Å; Q313-G317 PolarHBondContact NE2-O 2.92Å; Q313-G317 WeakPolarHBondContact O-CA 3.42Å; Q313-G317 PolarHBondContact O-N 2.98Å; Q313-N318 PolarHBondContact NE2-OD1 3.23Å
314	L	95.1	Very high	91	Very high	20 Å²	20	36.2 Å²	36.2	11%	0.105	20%	0.202	C	C	.	.	H	α-helix	trans	-57.5	-46.9	176.3	170.6	69.5	0	0	0	111.6	F28 M31 I32 L52 L56 A310 V311 L312	F28-L314 HydrophobicContact CD1-CD1 4.49Å; F28-L314 HydrophobicContact CD1-CD2 3.65Å; F28-L314 HydrophobicContact CE1-CD1 4.29Å; F28-L314 HydrophobicContact CE1-CD2 3.67Å; M31-L314 HydrophobicContact CB-CD1 4.37Å; M31-L314 HydrophobicContact CE-CD1 3.29Å; M31-L314 HydrophobicContact SD-CD1 4.11Å; I32-L314 HydrophobicContact CD1-CB 4.13Å; I32-L314 HydrophobicContact CD1-CD2 3.65Å; I32-L314 HydrophobicContact CG1-CB 4.43Å; I32-L314 HydrophobicContact CG1-CD2 4.34Å; L52-L314 HydrophobicContact CB-CD2 4.47Å; L52-L314 HydrophobicContact CD2-CD2 4.32Å; L56-L314 WeakPolarHBondContact CD1-O 3.44Å; L56-L314 HydrophobicContact CD2-CD1 4.49Å; A310-L314 WeakPolarHBondContact O-CB 2.97Å; A310-L314 PolarHBondContact O-N 3.25Å; V311-L314 WeakPolarHBondContact O-CB 3.31Å; V311-L314 PolarHBondContact O-N 3.23Å; L312-L314 VanDerWaalsContact C-N 3.34Å; L312-L314 PolarHBondContact O-N 2.64Å
315	L	95.1	Very high	90.5	Very high	9 Å²	9	37.5 Å²	37.5	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-76.1	-26.9	-174	-63.9	178.7	0	0	0	113.7	L55 L56 P60 L63 V311 L312 Q313	L55-L315 HydrophobicContact CB-CD1 4.19Å; L55-L315 HydrophobicContact CB-CD2 3.59Å; L55-L315 HydrophobicContact CD1-CD1 4.18Å; L56-L315 HydrophobicContact CB-CD2 4.11Å; P60-L315 WeakPolarHBondContact CD-O 3.43Å; L63-L315 HydrophobicContact CD2-CD1 3.93Å; V311-L315 HydrophobicContact CG1-CD1 3.92Å; V311-L315 HydrophobicContact CG1-CG 4.44Å; V311-L315 VanDerWaalsContact O-CG 3.29Å; V311-L315 WeakPolarHBondContact O-CG 3.46Å; V311-L315 PolarHBondContact O-N 3.05Å; L312-L315 PolarHBondContact O-N 3.14Å; Q313-L315 VanDerWaalsContact C-N 3.34Å; Q313-L315 PolarHBondContact O-N 3.37Å
316	T	94.3	Very high	89.9	Confident	15 Å²	15	40.2 Å²	40.2	9%	0.092	22%	0.222	C	C	.	.	H	α-helix	trans	-102	-17.1	-176.5	56.6	0	0	0	0	113.6	P60 R171 H175 I177 L312 Q313	P60-T316 HydrophobicContact CB-CG2 4.01Å; R171-T316 PolarHBondContact NH1-OG1 2.63Å; H175-T316 HydrophobicContact CB-CG2 4.24Å; I177-T316 HydrophobicContact CD1-CG2 3.65Å; L312-T316 WeakPolarHBondContact O-CB 3.4Å; L312-T316 WeakPolarHBondContact O-CG2 3.44Å; L312-T316 PolarHBondContact O-N 2.82Å; L312-T316 PolarHBondContact O-OG1 3.11Å; Q313-T316 PolarHBondContact O-N 2.94Å
317	G	85.3	Confident	89.3	Confident	31 Å²	31	36.5 Å²	36.5	32%	0.32	21%	0.207	S	C	.	.			trans	83.1	171.8	-176.5	0	0	0	0	0	113.6	R171 Q313 N319	R171-G317 PolarHBondContact NH1-O 2.65Å; R171-G317 VanDerWaalsContact NH1-O 3.15Å; Q313-G317 PolarHBondContact NE2-O 2.92Å; Q313-G317 WeakPolarHBondContact O-CA 3.42Å; Q313-G317 PolarHBondContact O-N 2.98Å; G317-N319 PolarHBondContact O-N 3.48Å
318	N	61.7	Low	88.6	Confident	138 Å²	138	39.5 Å²	39.5	74%	0.738	23%	0.225	S	C	*	.			trans	-83.3	99.7	173.4	-63.1	-8	0	0	0	108.7	Q313	Q313-N318 PolarHBondContact NE2-OD1 3.23Å
319	N	47.9	Very low	87.7	Confident	185 Å²	185	43.1 Å²	43.1	99%	0.989	25%	0.245	S	C	*	.			trans	-93.8	0	154.7	-73.5	-23.2	0	0	0	108.5	H175 G317	H175-N319 PolarHBondContact CE1-ND2 3.43Å; G317-N319 PolarHBondContact O-N 3.48Å

Retrieved 319 of 319 residues in 550.6 ms (Link to these results)

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