A0A087XLJ8_POEFO Loading...

Calpain small subunit 1

AlphaFold DB , UniProt , Accession A0A087XLJ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 216 aa.

Structure Viewer

Loading PAE data...

(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	34.5	Very low	36.5	Very low	231 Å²	231	148.2 Å²	148.2	100%	1.138	81%	0.814	S	S	*	*				0	86.3	0	-158	179.6	-150.2	0	0	107.2
2	F	33.2	Very low	36.7	Very low	216 Å²	216	147.7 Å²	147.7	95%	0.947	81%	0.807	S	S	*	*			trans	-133.8	115.1	172.1	-84.8	-76.9	0	0	0	107.7
3	L	38.9	Very low	36.6	Very low	165 Å²	165	147.4 Å²	147.4	86%	0.864	80%	0.804	S	S	*	*			trans	-69.1	140.5	-172.2	-80.4	142.9	0	0	0	111.2
4	T	37.5	Very low	36.9	Very low	123 Å²	123	143.1 Å²	143.1	76%	0.755	78%	0.779	S	S	*	*			trans	-44.7	121.5	173.4	45.9	0	0	0	0	114.1	S6	T4-S6 PolarHBondContact O-N 2.83Å
5	K	34.9	Very low	37.5	Very low	224 Å²	224	140.3 Å²	140.3	97%	0.974	77%	0.768	S	S	*	*			trans	-83.3	88.1	154.8	-80.9	-174.5	175.3	-178.2	0	108.5
6	S	42.9	Very low	38.2	Very low	90 Å²	90	137.8 Å²	137.8	63%	0.629	76%	0.763	S	S	*	*			trans	-123.4	127.9	161.4	174	0	0	0	0	106.9	T4	T4-S6 PolarHBondContact O-N 2.83Å
7	L	38.9	Very low	39.3	Very low	161 Å²	161	137.9 Å²	137.9	84%	0.843	76%	0.763	S	S	*	*	S	Bend	trans	160.1	-6.7	139.8	-88.6	147.2	0	0	0	115.5
8	I	42.6	Very low	40.3	Very low	153 Å²	153	132 Å²	132	79%	0.785	73%	0.729	S	S	*	*	S	Bend	trans	-99	-14.2	-174.3	-52.5	179.7	0	0	0	113.7	G10	I8-G10 VanDerWaalsContact C-N 3.27Å; I8-G10 PolarHBondContact O-N 3.08Å
9	G	29.3	Very low	41.8	Very low	70 Å²	70	128.8 Å²	128.8	72%	0.722	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	-3.1	-177.1	0	0	0	0	0	116.5
10	G	28.6	Very low	43.1	Very low	56 Å²	56	123.5 Å²	123.5	58%	0.577	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	-13.7	-168.4	0	0	0	0	0	116.5	I8	I8-G10 VanDerWaalsContact C-N 3.27Å; I8-G10 PolarHBondContact O-N 3.08Å
11	I	40.3	Very low	44.2	Very low	141 Å²	141	120 Å²	120	72%	0.723	67%	0.667	S	S	*	*	S	Bend	trans	-93.6	-19.3	-171.3	-59.5	177.8	0	0	0	112.3
12	I	38.9	Very low	46.2	Very low	142 Å²	142	114.5 Å²	114.5	73%	0.728	64%	0.638	S	S	*	*	G	3₁₀ helix	trans	-90.6	-14.6	-166.3	-59	176.7	0	0	0	113.6	I14	I12-I14 PolarHBondContact O-N 3.21Å
13	N	34.8	Very low	48.3	Very low	144 Å²	144	105.3 Å²	105.3	77%	0.77	60%	0.598	S	S	*	*	G	3₁₀ helix	trans	-89.1	13.3	-177.4	-87.8	-15.4	0	0	0	115.7
14	I	40.7	Very low	50.2	Low	88 Å²	88	106.8 Å²	106.8	45%	0.451	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-101.5	-4	-165	-64.4	174.8	0	0	0	113.9	I12 S16 Q156	I12-I14 PolarHBondContact O-N 3.21Å; I14-S16 PolarHBondContact O-N 3.3Å; I14-Q156 PolarHBondContact O-OE1 3.39Å
15	V	47	Very low	52.1	Low	101 Å²	101	102 Å²	102	61%	0.612	56%	0.563	S	S	*	*			trans	-90.3	4	-177.9	-160.8	0	0	0	0	113.4	N17 I18	V15-N17 PolarHBondContact O-N 3.47Å; V15-I18 HydrophobicContact CG1-CD1 4.27Å; V15-I18 PolarHBondContact O-N 3.5Å
16	S	47.5	Very low	54	Low	99 Å²	99	92.3 Å²	92.3	69%	0.692	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	0.7	-162.9	68.1	0	0	0	0	118.2	I14	I14-S16 PolarHBondContact O-N 3.3Å
17	N	57	Low	55.4	Low	141 Å²	141	94.8 Å²	94.8	75%	0.754	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.9	9.2	-176.6	-67.8	-3	0	0	0	113.8	V15	V15-N17 PolarHBondContact O-N 3.47Å
18	I	58.6	Low	56.6	Low	31 Å²	31	91.5 Å²	91.5	16%	0.159	52%	0.518	C	S	.	.			trans	-102.3	120.2	173.6	-61.7	176.2	0	0	0	107.2	V15 P20 F23 N154 L157	V15-I18 HydrophobicContact CG1-CD1 4.27Å; V15-I18 PolarHBondContact O-N 3.5Å; I18-P20 WeakPolarHBondContact O-CD 3.36Å; I18-F23 HydrophobicContact CG2-CE1 4.18Å; I18-F23 HydrophobicContact CG2-CE2 3.83Å; I18-F23 HydrophobicContact CG2-CZ 3.37Å; I18-N154 HydrophobicContact CD1-CB 4.39Å; I18-N154 WeakPolarHBondContact CD1-ND2 3.48Å; I18-N154 HydrophobicContact CG1-CB 4.12Å; I18-N154 WeakPolarHBondContact CG1-ND2 3.36Å; I18-L157 HydrophobicContact CD1-CD1 3.2Å; I18-L157 HydrophobicContact CD1-CG 3.88Å
19	D	69	Low	57.5	Low	72 Å²	72	86.6 Å²	86.6	39%	0.385	50%	0.496	S	S	.	.			trans	-91	109.9	169.7	-174.5	-18.5	0	0	0	108.6	S21 H22	D19-S21 PolarHBondContact O-N 3.32Å; D19-S21 VanDerWaalsContact O-N 3.13Å; D19-S21 WeakPolarHBondContact OD1-CB 3.4Å; D19-S21 PolarHBondContact OD1-N 3.28Å; D19-S21 PolarHBondContact OD1-OG 3.48Å; D19-S21 PolarHBondContact OD2-OG 3.13Å; D19-S21 VanDerWaalsContact OD2-OG 3.08Å; D19-H22 WeakPolarHBondContact O-CB 3.4Å; D19-H22 PolarHBondContact O-N 2.92Å; D19-H22 IonicContact OD2-NE2 3.88Å
20	P	66	Low	59	Low	21 Å²	21	87.4 Å²	87.4	14%	0.136	49%	0.488	C	S	.	.	G	3₁₀ helix	trans	-59.5	-21.7	179.7	-24	36.5	0	0	0	113.6	I18 H22 F23 F191	I18-P20 WeakPolarHBondContact O-CD 3.36Å; P20-H22 PolarHBondContact O-N 2.88Å; P20-F23 HydrophobicContact CB-CD2 4.37Å; P20-F23 WeakPolarHBondContact O-CB 3.33Å; P20-F23 PolarHBondContact O-N 3.15Å; P20-F23 VanDerWaalsContact O-N 3.13Å; P20-F191 HydrophobicContact CB-CD1 4.36Å; P20-F191 HydrophobicContact CB-CE1 4.05Å; P20-F191 HydrophobicContact CG-CE1 4Å
21	S	67.4	Low	60.6	Low	52 Å²	52	90.4 Å²	90.4	36%	0.364	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-63.9	-25.2	175.3	78.4	0	0	0	0	112.2	D19 F23	D19-S21 PolarHBondContact O-N 3.32Å; D19-S21 VanDerWaalsContact O-N 3.13Å; D19-S21 WeakPolarHBondContact OD1-CB 3.4Å; D19-S21 PolarHBondContact OD1-N 3.28Å; D19-S21 PolarHBondContact OD1-OG 3.48Å; D19-S21 PolarHBondContact OD2-OG 3.13Å; D19-S21 VanDerWaalsContact OD2-OG 3.08Å; S21-F23 VanDerWaalsContact C-N 3.31Å; S21-F23 PolarHBondContact O-N 3.12Å
22	H	75.3	Confident	61.6	Low	115 Å²	115	90.4 Å²	90.4	53%	0.532	49%	0.489	S	S	.	.	G	3₁₀ helix	trans	-74.6	-19.4	176.8	-67.6	174.7	0	0	0	113.4	D19 P20 R24 P152	D19-H22 WeakPolarHBondContact O-CB 3.4Å; D19-H22 PolarHBondContact O-N 2.92Å; D19-H22 IonicContact OD2-NE2 3.88Å; P20-H22 PolarHBondContact O-N 2.88Å; H22-R24 PolarHBondContact O-N 2.94Å; H22-P152 HydrophobicContact CB-CG 3.94Å
23	F	77.6	Confident	62.9	Low	23 Å²	23	91 Å²	91	10%	0.101	48%	0.482	C	S	.	.			trans	-69.5	131.7	174.6	-62.1	-37.6	0	0	0	110.3	I18 P20 S21 P25 P152 L153 K192	I18-F23 HydrophobicContact CG2-CE1 4.18Å; I18-F23 HydrophobicContact CG2-CE2 3.83Å; I18-F23 HydrophobicContact CG2-CZ 3.37Å; P20-F23 HydrophobicContact CB-CD2 4.37Å; P20-F23 WeakPolarHBondContact O-CB 3.33Å; P20-F23 PolarHBondContact O-N 3.15Å; P20-F23 VanDerWaalsContact O-N 3.13Å; S21-F23 VanDerWaalsContact C-N 3.31Å; S21-F23 PolarHBondContact O-N 3.12Å; F23-P25 VanDerWaalsContact O-CD 3.23Å; F23-P25 WeakPolarHBondContact O-CD 3.5Å; F23-P152 WeakPolarHBondContact CE1-O 3.09Å; F23-L153 HydrophobicContact CE1-CD2 3.68Å; F23-L153 HydrophobicContact CZ-CD2 3.92Å; F23-K192 WeakPolarHBondContact O-CE 3.21Å; F23-K192 PolarHBondContact O-NZ 3.26Å
24	R	79.7	Confident	64.6	Low	196 Å²	196	88.8 Å²	88.8	74%	0.74	48%	0.475	S	S	*	.			trans	-117.1	71.6	173.1	-61.9	-173.1	-176.8	-169.6	0.6	108.3	H22 G150	H22-R24 PolarHBondContact O-N 2.94Å; R24-G150 PolarHBondContact N-O 3.07Å
25	P	76.4	Confident	65.8	Low	22 Å²	22	89.1 Å²	89.1	14%	0.143	48%	0.478	C	S	.	.	P	Polyproline II helix	trans	-59.5	157.5	170.5	28.8	-33.4	0	0	0	109	F23 D185 C188 R189 K192	F23-P25 VanDerWaalsContact O-CD 3.23Å; F23-P25 WeakPolarHBondContact O-CD 3.5Å; P25-D185 WeakPolarHBondContact CA-OD1 3.36Å; P25-D185 WeakPolarHBondContact CB-OD1 3.35Å; P25-C188 HydrophobicContact CB-CB 4.32Å; P25-R189 HydrophobicContact CB-CG 3.74Å; P25-R189 HydrophobicContact CG-CG 4.23Å; P25-K192 HydrophobicContact CG-CD 4.03Å
26	S	74.8	Confident	66.7	Low	21 Å²	21	90.5 Å²	90.5	15%	0.147	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-66.8	146.7	178.1	-70.8	0	0	0	0	110.6	Y114 N118 D185	S26-Y114 VanDerWaalsContact CB-OH 3.27Å; S26-Y114 WeakPolarHBondContact CB-OH 3.38Å; S26-Y114 PolarHBondContact O-OH 3.2Å; S26-N118 VanDerWaalsContact CB-OD1 3.23Å; S26-N118 WeakPolarHBondContact CB-OD1 3.43Å; S26-N118 PolarHBondContact OG-OD1 2.93Å; S26-D185 PolarHBondContact N-OD1 2.81Å; S26-D185 VanDerWaalsContact N-OD1 3.1Å
27	D	72.9	Confident	67.8	Low	142 Å²	142	91.6 Å²	91.6	76%	0.759	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-59.5	131.9	-177.2	-67.5	-41.8	0	0	0	110.5	Y114	D27-Y114 WeakPolarHBondContact O-CE2 3.49Å
28	P	63.2	Low	68.3	Low	92 Å²	92	85.8 Å²	85.8	60%	0.597	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-58.6	150	179.5	26.2	-34.2	0	0	0	110.5
29	P	62.4	Low	68.8	Low	49 Å²	49	87.8 Å²	87.8	32%	0.318	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-56.4	141	176	22.9	-31.4	0	0	0	110.2	H110	P29-H110 HydrophobicContact CB-CB 4.28Å
30	P	60.9	Low	68.9	Low	87 Å²	87	88 Å²	88	57%	0.565	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-61.3	156.4	179.7	26.1	-34.2	0	0	0	111	R32	P30-R32 PolarHBondContact O-N 3.12Å
31	P	61.3	Low	69.2	Low	120 Å²	120	93 Å²	93	78%	0.779	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-51.8	135.9	177.3	-23.8	31.4	0	0	0	111.6	R33	P31-R33 PolarHBondContact O-N 3.09Å; P31-R33 VanDerWaalsContact O-N 3.12Å
32	R	63.1	Low	69.7	Low	141 Å²	141	91.3 Å²	91.3	53%	0.532	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-57.1	117.1	-177.8	-66.5	-176.8	-179.3	-173.9	-1.6	109.9	P30 D102 E111	P30-R32 PolarHBondContact O-N 3.12Å; R32-D102 IonicContact CZ-OD2 2.99Å; R32-D102 IonicContact NH1-OD2 2.57Å; R32-D102 PolarHBondContact NH1-OD2 2.88Å; R32-D102 IonicContact NH2-OD1 2.7Å; R32-D102 IonicContact NH2-OD2 3.6Å; R32-D102 PolarHBondContact NH2-OD2 3.38Å; R32-E111 IonicContact NH2-OE1 3.13Å; R32-E111 IonicContact NH2-OE2 3.04Å
33	R	65.8	Low	70.1	Confident	154 Å²	154	90.1 Å²	90.1	58%	0.581	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-87.7	156.5	170.3	-64.9	-177.7	-176.6	174.5	-0.8	109.5	P31 L35	P31-R33 PolarHBondContact O-N 3.09Å; P31-R33 VanDerWaalsContact O-N 3.12Å; R33-L35 PolarHBondContact O-N 3.27Å
34	P	70.6	Confident	70.2	Confident	98 Å²	98	94.6 Å²	94.6	64%	0.636	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-52.9	132.4	171.2	-23.7	33.3	0	0	0	110.5	N36 Y37 A38	P34-N36 VanDerWaalsContact C-N 3.26Å; P34-N36 PolarHBondContact O-N 3.41Å; P34-Y37 WeakPolarHBondContact O-CB 3.29Å; P34-Y37 PolarHBondContact O-N 2.89Å; P34-A38 PolarHBondContact O-N 3.47Å; P34-A38 VanDerWaalsContact O-N 3.1Å
35	L	65.3	Low	70.2	Confident	95 Å²	95	92.6 Å²	92.6	50%	0.497	49%	0.493	S	S	.	.	H	α-helix	trans	-51.7	-45.2	-171.7	-172.2	65.1	0	0	0	112.3	R33 Y37 A38 E39	R33-L35 PolarHBondContact O-N 3.27Å; L35-Y37 VanDerWaalsContact C-N 3.25Å; L35-Y37 PolarHBondContact O-N 2.65Å; L35-A38 WeakPolarHBondContact O-CB 3.16Å; L35-A38 PolarHBondContact O-N 3.28Å; L35-A38 VanDerWaalsContact O-N 3.11Å; L35-E39 HydrophobicContact CD1-CG 4.35Å; L35-E39 HydrophobicContact CG-CG 4.37Å; L35-E39 WeakPolarHBondContact O-CG 3.26Å; L35-E39 PolarHBondContact O-N 3.4Å
36	N	66.6	Low	70.3	Confident	130 Å²	130	93.4 Å²	93.4	70%	0.695	49%	0.494	S	S	*	.	H	α-helix	trans	-59	-33.9	178.8	-61.6	-4.7	0	0	0	113.3	P34 A40	P34-N36 VanDerWaalsContact C-N 3.26Å; P34-N36 PolarHBondContact O-N 3.41Å; N36-A40 WeakPolarHBondContact O-CB 3.46Å; N36-A40 PolarHBondContact O-N 3.38Å
37	Y	69	Low	70.7	Confident	122 Å²	122	96.9 Å²	96.9	48%	0.478	51%	0.507	S	S	.	.	H	α-helix	trans	-79.2	-36.8	177.9	-173.1	-91.2	0	0	0	111.5	P34 L35 H41	P34-Y37 WeakPolarHBondContact O-CB 3.29Å; P34-Y37 PolarHBondContact O-N 2.89Å; L35-Y37 VanDerWaalsContact C-N 3.25Å; L35-Y37 PolarHBondContact O-N 2.65Å; Y37-H41 AromaticContact CE1-CD2 3.83Å; Y37-H41 AromaticContact CE2-CD2 3.71Å; Y37-H41 AromaticContact CE2-NE2 3.61Å; Y37-H41 AromaticContact CZ-CD2 3.57Å; Y37-H41 AromaticContact CZ-NE2 3.7Å; Y37-H41 PolarHBondContact O-CD2 3.13Å
38	A	69.1	Low	71.2	Confident	19 Å²	19	96.6 Å²	96.6	16%	0.157	50%	0.501	C	S	.	.	H	α-helix	trans	-61.8	-51.2	174.2	0	0	0	0	0	110.3	P34 L35 A40 H41 E42	P34-A38 PolarHBondContact O-N 3.47Å; P34-A38 VanDerWaalsContact O-N 3.1Å; L35-A38 WeakPolarHBondContact O-CB 3.16Å; L35-A38 PolarHBondContact O-N 3.28Å; L35-A38 VanDerWaalsContact O-N 3.11Å; A38-A40 VanDerWaalsContact C-N 3.34Å; A38-A40 PolarHBondContact O-N 3.01Å; A38-H41 PolarHBondContact O-N 2.94Å; A38-H41 VanDerWaalsContact O-N 3.13Å; A38-E42 WeakPolarHBondContact O-CG 3.36Å; A38-E42 PolarHBondContact O-N 3.13Å
39	E	68.6	Low	72.3	Confident	72 Å²	72	93.3 Å²	93.3	34%	0.336	48%	0.477	S	S	.	.	H	α-helix	trans	-62.2	-36.1	-178.5	-70.5	-176.3	158	0	0	113.4	L35 H41 R50	L35-E39 HydrophobicContact CD1-CG 4.35Å; L35-E39 HydrophobicContact CG-CG 4.37Å; L35-E39 WeakPolarHBondContact O-CG 3.26Å; L35-E39 PolarHBondContact O-N 3.4Å; E39-H41 PolarHBondContact O-N 3.17Å; E39-R50 IonicContact OE1-CZ 3.93Å; E39-R50 IonicContact OE1-NE 2.68Å; E39-R50 IonicContact OE1-NH1 3.65Å; E39-R50 PolarHBondContact OE1-NH1 2.96Å
40	A	70.3	Confident	73.4	Confident	77 Å²	77	91.6 Å²	91.6	64%	0.636	47%	0.465	S	S	*	.	H	α-helix	trans	-68	-21.4	177.8	0	0	0	0	0	113.8	N36 A38	N36-A40 WeakPolarHBondContact O-CB 3.46Å; N36-A40 PolarHBondContact O-N 3.38Å; A38-A40 VanDerWaalsContact C-N 3.34Å; A38-A40 PolarHBondContact O-N 3.01Å
41	H	73.4	Confident	74.6	Confident	126 Å²	126	93.9 Å²	93.9	58%	0.583	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	15.2	-175.1	-71.8	-67.5	0	0	0	113.7	Y37 A38 E39	Y37-H41 AromaticContact CE1-CD2 3.83Å; Y37-H41 AromaticContact CE2-CD2 3.71Å; Y37-H41 AromaticContact CE2-NE2 3.61Å; Y37-H41 AromaticContact CZ-CD2 3.57Å; Y37-H41 AromaticContact CZ-NE2 3.7Å; Y37-H41 PolarHBondContact O-CD2 3.13Å; A38-H41 PolarHBondContact O-N 2.94Å; A38-H41 VanDerWaalsContact O-N 3.13Å; E39-H41 PolarHBondContact O-N 3.17Å
42	E	76.9	Confident	75.7	Confident	17 Å²	17	90.9 Å²	90.9	8%	0.079	45%	0.445	C	S	.	.			trans	-72.4	138.9	178.5	-62.6	-166.8	144.2	0	0	112.9	A38 E46 K47 R50	A38-E42 WeakPolarHBondContact O-CG 3.36Å; A38-E42 PolarHBondContact O-N 3.13Å; E42-E46 HydrophobicContact CB-CB 4.19Å; E42-E46 HydrophobicContact CB-CG 4.25Å; E42-E46 HydrophobicContact CG-CG 4.02Å; E42-E46 WeakPolarHBondContact OE1-CG 3.33Å; E42-K47 HydrophobicContact CB-CG 3.88Å; E42-K47 VanDerWaalsContact O-CE 3.32Å; E42-K47 WeakPolarHBondContact O-CE 3.42Å; E42-R50 IonicContact OE1-CZ 2.98Å; E42-R50 IonicContact OE1-NE 3.64Å; E42-R50 PolarHBondContact OE1-NE 2.99Å; E42-R50 IonicContact OE1-NH2 3.51Å; E42-R50 PolarHBondContact OE1-NH2 3.07Å; E42-R50 IonicContact OE2-NE 3.05Å; E42-R50 PolarHBondContact OE2-NE 3.33Å
43	N	83.4	Confident	77	Confident	90 Å²	90	84.3 Å²	84.3	48%	0.481	42%	0.42	S	S	.	.			trans	-75.5	169	165.6	69.9	27.6	0	0	0	111	E45 E46 K47	N43-E45 VanDerWaalsContact C-N 3.33Å; N43-E45 PolarHBondContact O-N 3.08Å; N43-E45 PolarHBondContact OD1-N 3.43Å; N43-E46 PolarHBondContact O-N 3.24Å; N43-E46 WeakPolarHBondContact OD1-CB 3.41Å; N43-E46 PolarHBondContact OD1-N 2.94Å; N43-K47 WeakPolarHBondContact O-CG 3.15Å; N43-K47 PolarHBondContact O-N 3.45Å
44	D	81.4	Confident	78.1	Confident	116 Å²	116	80.8 Å²	80.8	62%	0.62	41%	0.411	S	S	*	.	H	α-helix	trans	-67.4	-31.8	-173.7	-66.7	-28.1	0	0	0	113.5	K47 Q48	D44-K47 PolarHBondContact O-N 3.18Å; D44-K47 IonicContact OD1-NZ 2.74Å; D44-Q48 WeakPolarHBondContact O-CG 3.49Å; D44-Q48 PolarHBondContact O-N 3.17Å
45	E	78.3	Confident	78.8	Confident	154 Å²	154	84.1 Å²	84.1	72%	0.72	42%	0.417	S	S	*	.	H	α-helix	trans	-65	-41.3	173.9	-67.7	-174.5	172.9	0	0	111.6	N43 Q48 F49	N43-E45 VanDerWaalsContact C-N 3.33Å; N43-E45 PolarHBondContact O-N 3.08Å; N43-E45 PolarHBondContact OD1-N 3.43Å; E45-Q48 PolarHBondContact O-N 2.88Å; E45-F49 WeakPolarHBondContact O-CB 3.37Å; E45-F49 PolarHBondContact O-N 2.93Å
46	E	79.3	Confident	79.9	Confident	39 Å²	39	80.9 Å²	80.9	18%	0.182	40%	0.401	C	S	.	.	H	α-helix	trans	-68.8	-38.6	179.1	-171.8	164.4	-151.2	0	0	111.4	E42 N43 Q48 F49 R50 F109 K113	E42-E46 HydrophobicContact CB-CB 4.19Å; E42-E46 HydrophobicContact CB-CG 4.25Å; E42-E46 HydrophobicContact CG-CG 4.02Å; E42-E46 WeakPolarHBondContact OE1-CG 3.33Å; N43-E46 PolarHBondContact O-N 3.24Å; N43-E46 WeakPolarHBondContact OD1-CB 3.41Å; N43-E46 PolarHBondContact OD1-N 2.94Å; E46-Q48 PolarHBondContact O-N 3.48Å; E46-F49 PolarHBondContact O-N 3.29Å; E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 PolarHBondContact O-N 3.16Å; E46-F109 HydrophobicContact CG-CZ 4.25Å; E46-K113 IonicContact OE1-NZ 2.65Å; E46-K113 PolarHBondContact OE1-NZ 2.62Å; E46-K113 IonicContact OE2-NZ 3.63Å
47	K	83.5	Confident	80.9	Confident	95 Å²	95	74.8 Å²	74.8	41%	0.413	37%	0.368	S	S	.	.	H	α-helix	trans	-61.3	-42.2	171	-70.4	174.2	-170.8	159.9	0	112.3	E42 N43 D44 R50 K51	E42-K47 HydrophobicContact CB-CG 3.88Å; E42-K47 VanDerWaalsContact O-CE 3.32Å; E42-K47 WeakPolarHBondContact O-CE 3.42Å; N43-K47 WeakPolarHBondContact O-CG 3.15Å; N43-K47 PolarHBondContact O-N 3.45Å; D44-K47 PolarHBondContact O-N 3.18Å; D44-K47 IonicContact OD1-NZ 2.74Å; K47-R50 PolarHBondContact O-N 2.97Å; K47-K51 WeakPolarHBondContact O-CG 3.45Å; K47-K51 PolarHBondContact O-N 3.36Å; K47-K51 VanDerWaalsContact O-N 3.16Å
48	Q	82.6	Confident	81.8	Confident	136 Å²	136	70.7 Å²	70.7	64%	0.636	36%	0.363	S	S	*	.	H	α-helix	trans	-64.9	-43.4	175.7	-73.8	-179.1	5.6	0	0	111.1	D44 E45 E46 R50 K51 V52	D44-Q48 WeakPolarHBondContact O-CG 3.49Å; D44-Q48 PolarHBondContact O-N 3.17Å; E45-Q48 PolarHBondContact O-N 2.88Å; E46-Q48 PolarHBondContact O-N 3.48Å; Q48-R50 PolarHBondContact O-N 2.91Å; Q48-K51 WeakPolarHBondContact O-CB 3.47Å; Q48-K51 PolarHBondContact O-N 2.94Å; Q48-V52 PolarHBondContact O-N 3Å
49	F	85.6	Confident	82.6	Confident	22 Å²	22	78 Å²	78	10%	0.096	40%	0.4	C	S	.	.	H	α-helix	trans	-63.8	-40.3	177.3	-171.7	-101.8	0	0	0	112.2	E45 E46 K51 V52 F53 F109 F112 K113 W116	E45-F49 WeakPolarHBondContact O-CB 3.37Å; E45-F49 PolarHBondContact O-N 2.93Å; E46-F49 PolarHBondContact O-N 3.29Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 3.04Å; F49-V52 WeakPolarHBondContact O-CB 3.43Å; F49-V52 PolarHBondContact O-N 3Å; F49-V52 VanDerWaalsContact O-N 3.13Å; F49-F53 PolarHBondContact O-N 3.37Å; F49-F109 AromaticContact CD1-CE2 3.62Å; F49-F109 HydrophobicContact CD1-CE2 3.62Å; F49-F109 AromaticContact CD1-CZ 3.97Å; F49-F109 HydrophobicContact CD1-CZ 3.97Å; F49-F109 AromaticContact CE1-CE2 3.99Å; F49-F109 HydrophobicContact CE1-CE2 3.99Å; F49-F112 AromaticContact CE1-CD1 4Å; F49-F112 HydrophobicContact CE1-CD1 4Å; F49-F112 HydrophobicContact CE1-CE1 4.39Å; F49-F112 HydrophobicContact CE2-CD1 4.44Å; F49-F112 HydrophobicContact CE2-CE1 4.07Å; F49-F112 AromaticContact CZ-CD1 3.49Å; F49-F112 HydrophobicContact CZ-CD1 3.49Å; F49-F112 VanDerWaalsContact CZ-CD1 3.49Å; F49-F112 AromaticContact CZ-CE1 3.54Å; F49-F112 HydrophobicContact CZ-CE1 3.54Å; F49-K113 HydrophobicContact CD1-CB 4.16Å; F49-K113 HydrophobicContact CD1-CD 4.36Å; F49-K113 HydrophobicContact CD1-CG 3.93Å; F49-K113 VanDerWaalsContact CE1-CA 3.44Å; F49-K113 HydrophobicContact CE1-CB 3.48Å; F49-K113 VanDerWaalsContact CE1-CB 3.48Å; F49-K113 HydrophobicContact CE1-CD 4.5Å; F49-K113 HydrophobicContact CE1-CG 3.69Å; F49-K113 HydrophobicContact CZ-CB 4.17Å; F49-K113 HydrophobicContact CZ-CG 4.39Å; F49-W116 HydrophobicContact CE2-CB 3.95Å; F49-W116 AromaticContact CE2-CD1 3.26Å; F49-W116 HydrophobicContact CE2-CD2 4.39Å; F49-W116 AromaticContact CE2-CG 3.61Å; F49-W116 HydrophobicContact CE2-CG 3.61Å; F49-W116 AromaticContact CE2-NE1 3.84Å; F49-W116 HydrophobicContact CZ-CB 3.84Å; F49-W116 HydrophobicContact CZ-CG 4.01Å
50	R	86.4	Confident	83.6	Confident	14 Å²	14	78 Å²	78	5%	0.053	40%	0.402	C	S	.	.	H	α-helix	trans	-58.9	-40.1	174.1	-176.5	175.4	-67.6	-83.6	-14.1	112.4	E39 E42 E46 K47 Q48 F53 Q54 F109	E39-R50 IonicContact OE1-CZ 3.93Å; E39-R50 IonicContact OE1-NE 2.68Å; E39-R50 IonicContact OE1-NH1 3.65Å; E39-R50 PolarHBondContact OE1-NH1 2.96Å; E42-R50 IonicContact OE1-CZ 2.98Å; E42-R50 IonicContact OE1-NE 3.64Å; E42-R50 PolarHBondContact OE1-NE 2.99Å; E42-R50 IonicContact OE1-NH2 3.51Å; E42-R50 PolarHBondContact OE1-NH2 3.07Å; E42-R50 IonicContact OE2-NE 3.05Å; E42-R50 PolarHBondContact OE2-NE 3.33Å; E46-R50 WeakPolarHBondContact O-CB 3.42Å; E46-R50 PolarHBondContact O-N 3.16Å; K47-R50 PolarHBondContact O-N 2.97Å; Q48-R50 PolarHBondContact O-N 2.91Å; R50-F53 PolarHBondContact O-N 3.48Å; R50-Q54 WeakPolarHBondContact O-CB 3.38Å; R50-Q54 VanDerWaalsContact O-CG 3.3Å; R50-Q54 WeakPolarHBondContact O-CG 3.05Å; R50-Q54 PolarHBondContact O-N 3.02Å; R50-F109 HydrophobicContact CB-CE2 3.96Å; R50-F109 HydrophobicContact CB-CZ 4.23Å; R50-F109 HydrophobicContact CG-CE2 4.39Å; R50-F109 VanDerWaalsContact NH2-CE1 3.27Å
51	K	86.1	Confident	84.6	Confident	135 Å²	135	78.2 Å²	78.2	59%	0.587	39%	0.39	S	S	*	.	H	α-helix	trans	-63.3	-42.3	173.9	-70.8	176.1	-179	-178.7	0	112.3	K47 Q48 F49 F53 Q54 Q55	K47-K51 WeakPolarHBondContact O-CG 3.45Å; K47-K51 PolarHBondContact O-N 3.36Å; K47-K51 VanDerWaalsContact O-N 3.16Å; Q48-K51 WeakPolarHBondContact O-CB 3.47Å; Q48-K51 PolarHBondContact O-N 2.94Å; F49-K51 VanDerWaalsContact C-N 3.31Å; F49-K51 PolarHBondContact O-N 3.04Å; K51-F53 VanDerWaalsContact C-N 3.35Å; K51-Q54 PolarHBondContact O-N 2.82Å; K51-Q55 WeakPolarHBondContact O-CB 3.34Å; K51-Q55 VanDerWaalsContact O-CG 3.31Å; K51-Q55 WeakPolarHBondContact O-CG 3.31Å; K51-Q55 PolarHBondContact O-N 2.79Å
52	V	84.9	Confident	85.6	Confident	57 Å²	57	74.4 Å²	74.4	35%	0.345	37%	0.373	S	S	.	.	H	α-helix	trans	-62.9	-44.4	175.9	175.7	0	0	0	0	110.5	Q48 F49 Q55 L56	Q48-V52 PolarHBondContact O-N 3Å; F49-V52 WeakPolarHBondContact O-CB 3.43Å; F49-V52 PolarHBondContact O-N 3Å; F49-V52 VanDerWaalsContact O-N 3.13Å; V52-Q55 PolarHBondContact O-N 3.33Å; V52-L56 WeakPolarHBondContact O-CB 3.44Å; V52-L56 PolarHBondContact O-N 3.1Å; V52-L56 VanDerWaalsContact O-N 3.09Å
53	F	88.9	Confident	86.4	Confident	3 Å²	3	73.6 Å²	73.6	1%	0.013	37%	0.369	C	S	.	.	H	α-helix	trans	-59.6	-50.1	176.1	175	-97.8	0	0	0	112	F49 R50 K51 Q55 L56 A57 M61 V63 F109 F112	F49-F53 PolarHBondContact O-N 3.37Å; R50-F53 PolarHBondContact O-N 3.48Å; K51-F53 VanDerWaalsContact C-N 3.35Å; F53-Q55 VanDerWaalsContact C-N 3.3Å; F53-Q55 PolarHBondContact O-N 2.79Å; F53-L56 PolarHBondContact O-N 3.11Å; F53-A57 HydrophobicContact CD1-CB 4.47Å; F53-A57 HydrophobicContact CE1-CB 4.12Å; F53-A57 HydrophobicContact CE2-CB 4.3Å; F53-A57 HydrophobicContact CZ-CB 4.04Å; F53-A57 VanDerWaalsContact O-CB 3.31Å; F53-A57 WeakPolarHBondContact O-CB 3.46Å; F53-A57 PolarHBondContact O-N 3.06Å; F53-M61 HydrophobicContact CD1-CE 4.49Å; F53-M61 HydrophobicContact CE1-CE 4.11Å; F53-M61 WeakPolarHBondContact CZ-O 3.41Å; F53-V63 HydrophobicContact CD2-CG2 3.87Å; F53-V63 HydrophobicContact CE2-CG2 3.63Å; F53-F109 HydrophobicContact CB-CD2 3.91Å; F53-F109 HydrophobicContact CB-CE2 4.2Å; F53-F109 HydrophobicContact CD1-CB 4.24Å; F53-F109 AromaticContact CD1-CD2 3.75Å; F53-F109 HydrophobicContact CD1-CD2 3.75Å; F53-F109 HydrophobicContact CD1-CG 4.48Å; F53-F109 HydrophobicContact CD2-CD2 4.17Å; F53-F109 HydrophobicContact CE1-CB 3.92Å; F53-F109 HydrophobicContact CE1-CD2 4.3Å; F53-F109 HydrophobicContact CE2-CB 4.3Å; F53-F109 AromaticContact CG-CD2 3.67Å; F53-F109 HydrophobicContact CG-CD2 3.67Å; F53-F109 HydrophobicContact CG-CE2 4.44Å; F53-F109 HydrophobicContact CZ-CB 3.94Å; F53-F109 VanDerWaalsContact CZ-N 3.35Å; F53-F112 HydrophobicContact CD2-CB 4.08Å; F53-F112 AromaticContact CD2-CD1 3.64Å; F53-F112 HydrophobicContact CD2-CD1 3.64Å; F53-F112 HydrophobicContact CD2-CE1 4.43Å; F53-F112 HydrophobicContact CD2-CG 4.07Å; F53-F112 HydrophobicContact CE2-CB 4.01Å; F53-F112 HydrophobicContact CE2-CD1 4.4Å; F53-F112 HydrophobicContact CE2-CG 4.39Å
54	Q	88.9	Confident	87.1	Confident	80 Å²	80	70.2 Å²	70.2	37%	0.374	35%	0.352	S	S	.	.	H	α-helix	trans	-60	-39.8	179.1	-75.1	170.9	-13.2	0	0	112.4	R50 K51 L56 G58 M61	R50-Q54 WeakPolarHBondContact O-CB 3.38Å; R50-Q54 VanDerWaalsContact O-CG 3.3Å; R50-Q54 WeakPolarHBondContact O-CG 3.05Å; R50-Q54 PolarHBondContact O-N 3.02Å; K51-Q54 PolarHBondContact O-N 2.82Å; Q54-L56 PolarHBondContact O-N 3.21Å; Q54-G58 PolarHBondContact O-N 2.95Å; Q54-G58 VanDerWaalsContact O-N 3.14Å; Q54-M61 HydrophobicContact CG-CE 4Å; Q54-M61 HydrophobicContact CG-SD 4.11Å
55	Q	86.4	Confident	87.8	Confident	167 Å²	167	65.8 Å²	65.8	78%	0.78	33%	0.33	S	S	*	.	H	α-helix	trans	-67	-27.3	175.7	-74.4	179.1	-3.9	0	0	113.2	K51 V52 F53	K51-Q55 WeakPolarHBondContact O-CB 3.34Å; K51-Q55 VanDerWaalsContact O-CG 3.31Å; K51-Q55 WeakPolarHBondContact O-CG 3.31Å; K51-Q55 PolarHBondContact O-N 2.79Å; V52-Q55 PolarHBondContact O-N 3.33Å; F53-Q55 VanDerWaalsContact C-N 3.3Å; F53-Q55 PolarHBondContact O-N 2.79Å
56	L	87.9	Confident	88.7	Confident	28 Å²	28	62.9 Å²	62.9	15%	0.147	32%	0.32	C	S	.	.	H	α-helix	trans	-86.7	-44.4	-178.9	-177	64.1	0	0	0	112.4	V52 F53 Q54 V63 E67 I71 F112	V52-L56 WeakPolarHBondContact O-CB 3.44Å; V52-L56 PolarHBondContact O-N 3.1Å; V52-L56 VanDerWaalsContact O-N 3.09Å; F53-L56 PolarHBondContact O-N 3.11Å; Q54-L56 PolarHBondContact O-N 3.21Å; L56-V63 HydrophobicContact CD2-CG1 3.87Å; L56-V63 HydrophobicContact CD2-CG2 3.83Å; L56-V63 HydrophobicContact CG-CG1 4.32Å; L56-V63 HydrophobicContact CG-CG2 4.13Å; L56-E67 HydrophobicContact CD1-CB 3.95Å; L56-E67 HydrophobicContact CG-CB 4.16Å; L56-I71 HydrophobicContact CD1-CB 3.88Å; L56-I71 HydrophobicContact CD1-CG2 4.24Å; L56-I71 HydrophobicContact CD2-CB 4.11Å; L56-I71 HydrophobicContact CD2-CG1 4.42Å; L56-I71 HydrophobicContact CD2-CG2 3.77Å; L56-F112 HydrophobicContact CD2-CE1 4.13Å; L56-F112 HydrophobicContact CD2-CE2 3.78Å; L56-F112 HydrophobicContact CD2-CZ 3.47Å; L56-F112 VanDerWaalsContact CD2-CZ 3.47Å
57	A	87.7	Confident	89.5	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.008	32%	0.322	C	S	.	.	H	α-helix	trans	-79.1	-21.5	-175.7	0	0	0	0	0	113.3	F53 D59 E62 V63	F53-A57 HydrophobicContact CD1-CB 4.47Å; F53-A57 HydrophobicContact CE1-CB 4.12Å; F53-A57 HydrophobicContact CE2-CB 4.3Å; F53-A57 HydrophobicContact CZ-CB 4.04Å; F53-A57 VanDerWaalsContact O-CB 3.31Å; F53-A57 WeakPolarHBondContact O-CB 3.46Å; F53-A57 PolarHBondContact O-N 3.06Å; A57-D59 PolarHBondContact O-N 3.12Å; A57-E62 WeakPolarHBondContact CA-O 3.38Å; A57-E62 WeakPolarHBondContact CB-O 3.48Å; A57-V63 HydrophobicContact CB-CG2 4.17Å
58	G	88.9	Confident	90.1	Very high	36 Å²	36	58.8 Å²	58.8	37%	0.371	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	61.5	-139.8	180	0	0	0	0	0	112.8	Q54	Q54-G58 PolarHBondContact O-N 2.95Å; Q54-G58 VanDerWaalsContact O-N 3.14Å
59	D	85.8	Confident	90.7	Very high	174 Å²	174	55.5 Å²	55.5	93%	0.93	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-76.6	-26.1	-167.9	-65.6	-24.2	0	0	0	114	A57 M61	A57-D59 PolarHBondContact O-N 3.12Å; D59-M61 VanDerWaalsContact C-N 3.34Å
60	D	89.8	Confident	91.1	Very high	72 Å²	72	59 Å²	59	39%	0.385	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-86	-9.4	-177.6	67.3	18.3	0	0	0	113.3	E62 K106	D60-E62 PolarHBondContact O-N 3.45Å; D60-E62 PolarHBondContact OD1-N 3.29Å; D60-E62 VanDerWaalsContact OD1-O 3.07Å; D60-K106 IonicContact OD2-NZ 2.62Å; D60-K106 PolarHBondContact OD2-NZ 3.45Å
61	M	90.1	Very high	91.4	Very high	80 Å²	80	59.4 Å²	59.4	39%	0.394	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	29.6	178.6	-66.5	-71	-66.7	0	0	113.7	F53 Q54 D59	F53-M61 HydrophobicContact CD1-CE 4.49Å; F53-M61 HydrophobicContact CE1-CE 4.11Å; F53-M61 WeakPolarHBondContact CZ-O 3.41Å; Q54-M61 HydrophobicContact CG-CE 4Å; Q54-M61 HydrophobicContact CG-SD 4.11Å; D59-M61 VanDerWaalsContact C-N 3.34Å
62	E	93.8	Very high	91.7	Very high	47 Å²	47	53.2 Å²	53.2	22%	0.22	28%	0.281	C	S	.	.	S	Bend	trans	-133.6	153.1	171.1	-59.1	-174.9	126.4	0	0	111.3	A57 D60 T104 K106 L107	A57-E62 WeakPolarHBondContact CA-O 3.38Å; A57-E62 WeakPolarHBondContact CB-O 3.48Å; D60-E62 PolarHBondContact O-N 3.45Å; D60-E62 PolarHBondContact OD1-N 3.29Å; D60-E62 VanDerWaalsContact OD1-O 3.07Å; E62-T104 VanDerWaalsContact OE1-CB 3.26Å; E62-T104 WeakPolarHBondContact OE1-CB 3.49Å; E62-T104 WeakPolarHBondContact OE1-CG2 3.49Å; E62-T104 PolarHBondContact OE1-OG1 3.4Å; E62-K106 HydrophobicContact CB-CB 3.6Å; E62-K106 HydrophobicContact CB-CD 3.76Å; E62-K106 HydrophobicContact CB-CG 4.36Å; E62-K106 HydrophobicContact CG-CB 4.43Å; E62-L107 CarbonylContact C-O 3.57Å; E62-L107 WeakPolarHBondContact CA-O 3.23Å
63	V	95.7	Very high	92.1	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	B	Isolated β-bridge	trans	-100.3	114	178	178.4	0	0	0	0	109.8	F53 L56 A57 E67 L68 L107 F112	F53-V63 HydrophobicContact CD2-CG2 3.87Å; F53-V63 HydrophobicContact CE2-CG2 3.63Å; L56-V63 HydrophobicContact CD2-CG1 3.87Å; L56-V63 HydrophobicContact CD2-CG2 3.83Å; L56-V63 HydrophobicContact CG-CG1 4.32Å; L56-V63 HydrophobicContact CG-CG2 4.13Å; A57-V63 HydrophobicContact CB-CG2 4.17Å; V63-E67 HydrophobicContact CG1-CB 3.98Å; V63-L68 HydrophobicContact CG1-CB 4.14Å; V63-L107 HydrophobicContact CB-CB 4.28Å; V63-L107 PolarHBondContact N-O 3.1Å; V63-L107 PolarHBondContact O-N 3.32Å; V63-F112 HydrophobicContact CB-CD2 4.11Å; V63-F112 HydrophobicContact CG1-CD2 4.03Å; V63-F112 HydrophobicContact CG1-CE2 4.13Å; V63-F112 HydrophobicContact CG2-CB 4.42Å; V63-F112 HydrophobicContact CG2-CD1 4.47Å; V63-F112 HydrophobicContact CG2-CD2 3.95Å; V63-F112 HydrophobicContact CG2-CE2 4.35Å; V63-F112 HydrophobicContact CG2-CG 4.01Å
64	S	96.7	Very high	92.2	Very high	18 Å²	18	59.5 Å²	59.5	13%	0.126	30%	0.302	C	S	.	.			trans	-76.8	164.9	174.8	72.2	0	0	0	0	112.8	N66 E67 L68	S64-N66 PolarHBondContact O-N 2.91Å; S64-E67 WeakPolarHBondContact CA-OE2 3.16Å; S64-E67 WeakPolarHBondContact CB-OE2 3.45Å; S64-E67 PolarHBondContact N-OE2 3.39Å; S64-E67 PolarHBondContact O-N 3.08Å; S64-E67 VanDerWaalsContact OG-CD 3.28Å; S64-E67 PolarHBondContact OG-N 3.14Å; S64-E67 PolarHBondContact OG-OE2 3.38Å; S64-L68 WeakPolarHBondContact O-CB 3.49Å; S64-L68 PolarHBondContact O-N 3.44Å
65	P	96.6	Very high	91.9	Very high	23 Å²	23	57.2 Å²	57.2	15%	0.149	29%	0.294	C	S	.	.	H	α-helix	trans	-56.9	-32.3	173.9	-27.3	34.8	0	0	0	114.5	K69 I89 C92 R93 V96	P65-K69 WeakPolarHBondContact O-CB 3.4Å; P65-K69 PolarHBondContact O-N 3.05Å; P65-I89 HydrophobicContact CB-CD1 3.92Å; P65-C92 HydrophobicContact CB-CB 4.41Å; P65-C92 VanDerWaalsContact O-CB 3.31Å; P65-C92 WeakPolarHBondContact O-CB 3.36Å; P65-R93 HydrophobicContact CB-CG 3.78Å; P65-R93 HydrophobicContact CG-CG 3.97Å; P65-V96 HydrophobicContact CB-CG2 4.35Å; P65-V96 HydrophobicContact CG-CB 4.14Å; P65-V96 HydrophobicContact CG-CG1 4.31Å; P65-V96 HydrophobicContact CG-CG2 3.95Å
66	N	96.7	Very high	91.9	Very high	94 Å²	94	50.2 Å²	50.2	50%	0.503	26%	0.262	S	S	.	.	H	α-helix	trans	-72	-43.8	177.5	-72.2	-56.8	0	0	0	111.3	S64 L68 K69 D70 I89	S64-N66 PolarHBondContact O-N 2.91Å; N66-L68 VanDerWaalsContact C-N 3.34Å; N66-L68 PolarHBondContact O-N 2.93Å; N66-K69 WeakPolarHBondContact O-CB 3.44Å; N66-K69 PolarHBondContact O-N 3.01Å; N66-D70 PolarHBondContact O-N 2.86Å; N66-I89 WeakPolarHBondContact OD1-CD1 3.46Å
67	E	96.3	Very high	91.7	Very high	48 Å²	48	53.4 Å²	53.4	22%	0.224	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-41.3	176.9	-73.1	150.6	162.8	0	0	111	L56 V63 S64 K69 D70 I71	L56-E67 HydrophobicContact CD1-CB 3.95Å; L56-E67 HydrophobicContact CG-CB 4.16Å; V63-E67 HydrophobicContact CG1-CB 3.98Å; S64-E67 WeakPolarHBondContact CA-OE2 3.16Å; S64-E67 WeakPolarHBondContact CB-OE2 3.45Å; S64-E67 PolarHBondContact N-OE2 3.39Å; S64-E67 PolarHBondContact O-N 3.08Å; S64-E67 VanDerWaalsContact OG-CD 3.28Å; S64-E67 PolarHBondContact OG-N 3.14Å; S64-E67 PolarHBondContact OG-OE2 3.38Å; E67-K69 VanDerWaalsContact C-N 3.34Å; E67-K69 PolarHBondContact O-N 3.19Å; E67-D70 PolarHBondContact O-N 3.49Å; E67-I71 WeakPolarHBondContact O-CG2 3.34Å; E67-I71 PolarHBondContact O-N 3.18Å
68	L	96.3	Very high	91.6	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-58.1	-46.7	173.3	-177.9	62.6	0	0	0	111.3	V63 S64 N66 D70 I71 L72 C92 M95 V96 F112 L115	V63-L68 HydrophobicContact CG1-CB 4.14Å; S64-L68 WeakPolarHBondContact O-CB 3.49Å; S64-L68 PolarHBondContact O-N 3.44Å; N66-L68 VanDerWaalsContact C-N 3.34Å; N66-L68 PolarHBondContact O-N 2.93Å; L68-D70 VanDerWaalsContact C-N 3.35Å; L68-D70 PolarHBondContact O-N 3.47Å; L68-I71 HydrophobicContact CD1-CG2 4.44Å; L68-I71 VanDerWaalsContact O-CG2 3.23Å; L68-I71 WeakPolarHBondContact O-CG2 3.23Å; L68-I71 PolarHBondContact O-N 2.88Å; L68-L72 HydrophobicContact CD1-CD1 3.84Å; L68-L72 HydrophobicContact CD1-CG 4Å; L68-L72 HydrophobicContact CG-CD1 3.85Å; L68-L72 HydrophobicContact CG-CG 4.36Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 VanDerWaalsContact O-CG 3.22Å; L68-L72 WeakPolarHBondContact O-CG 3.48Å; L68-L72 PolarHBondContact O-N 3.09Å; L68-C92 HydrophobicContact CD2-CB 4.23Å; L68-C92 HydrophobicContact CG-CB 4.46Å; L68-M95 HydrophobicContact CD2-CB 4.02Å; L68-M95 HydrophobicContact CD2-SD 4.47Å; L68-V96 HydrophobicContact CD2-CG2 3.85Å; L68-F112 HydrophobicContact CD1-CE2 4.04Å; L68-L115 HydrophobicContact CD1-CD2 3.99Å; L68-L115 HydrophobicContact CD2-CD2 3.91Å
69	K	96.1	Very high	91.2	Very high	66 Å²	66	64.4 Å²	64.4	29%	0.287	32%	0.319	S	S	.	.	H	α-helix	trans	-56.9	-48.7	176.2	-180	-173.6	172.2	-161.1	0	111.7	P65 N66 E67 L72 N73 F87 I89 C92	P65-K69 WeakPolarHBondContact O-CB 3.4Å; P65-K69 PolarHBondContact O-N 3.05Å; N66-K69 WeakPolarHBondContact O-CB 3.44Å; N66-K69 PolarHBondContact O-N 3.01Å; E67-K69 VanDerWaalsContact C-N 3.34Å; E67-K69 PolarHBondContact O-N 3.19Å; K69-L72 PolarHBondContact O-N 2.92Å; K69-N73 WeakPolarHBondContact CG-ND2 3.33Å; K69-N73 WeakPolarHBondContact O-CB 3.27Å; K69-N73 PolarHBondContact O-N 2.68Å; K69-N73 PolarHBondContact O-ND2 2.95Å; K69-N73 VanDerWaalsContact O-ND2 3.17Å; K69-F87 WeakPolarHBondContact CE-O 3.26Å; K69-F87 WeakPolarHBondContact CG-O 3.03Å; K69-I89 HydrophobicContact CD-CB 4.23Å; K69-C92 WeakPolarHBondContact CA-SG 3.25Å; K69-C92 HydrophobicContact CB-CB 4.23Å; K69-C92 VanDerWaalsContact CB-SG 3.59Å
70	D	94.2	Very high	90.6	Very high	96 Å²	96	61.5 Å²	61.5	51%	0.513	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-42.3	-175.5	-73.7	-12.4	0	0	0	111.8	N66 E67 L68 R74	N66-D70 PolarHBondContact O-N 2.86Å; E67-D70 PolarHBondContact O-N 3.49Å; L68-D70 VanDerWaalsContact C-N 3.35Å; L68-D70 PolarHBondContact O-N 3.47Å; D70-R74 WeakPolarHBondContact O-CB 3.49Å; D70-R74 PolarHBondContact O-N 2.91Å
71	I	92.1	Very high	90.1	Very high	22 Å²	22	63.7 Å²	63.7	11%	0.113	32%	0.324	C	S	.	.	H	α-helix	trans	-69	-41.7	178.3	-170	58.9	0	0	0	112	L56 E67 L68 R74 V75 W116	L56-I71 HydrophobicContact CD1-CB 3.88Å; L56-I71 HydrophobicContact CD1-CG2 4.24Å; L56-I71 HydrophobicContact CD2-CB 4.11Å; L56-I71 HydrophobicContact CD2-CG1 4.42Å; L56-I71 HydrophobicContact CD2-CG2 3.77Å; E67-I71 WeakPolarHBondContact O-CG2 3.34Å; E67-I71 PolarHBondContact O-N 3.18Å; L68-I71 HydrophobicContact CD1-CG2 4.44Å; L68-I71 VanDerWaalsContact O-CG2 3.23Å; L68-I71 WeakPolarHBondContact O-CG2 3.23Å; L68-I71 PolarHBondContact O-N 2.88Å; I71-R74 WeakPolarHBondContact O-CB 3.36Å; I71-R74 PolarHBondContact O-N 3.35Å; I71-V75 WeakPolarHBondContact O-CG2 3.49Å; I71-V75 PolarHBondContact O-N 2.87Å; I71-W116 HydrophobicContact CG1-CH2 3.82Å; I71-W116 HydrophobicContact CG1-CZ3 3.94Å; I71-W116 HydrophobicContact CG2-CZ3 4.17Å
72	L	92.6	Very high	89.9	Confident	5 Å²	5	60.6 Å²	60.6	3%	0.026	31%	0.309	C	S	.	.	H	α-helix	trans	-65.9	-44.3	-179.6	-68.3	177.2	0	0	0	111.4	L68 K69 R74 V75 I76 F87 M95 W116 I119	L68-L72 HydrophobicContact CD1-CD1 3.84Å; L68-L72 HydrophobicContact CD1-CG 4Å; L68-L72 HydrophobicContact CG-CD1 3.85Å; L68-L72 HydrophobicContact CG-CG 4.36Å; L68-L72 WeakPolarHBondContact O-CB 3.41Å; L68-L72 VanDerWaalsContact O-CG 3.22Å; L68-L72 WeakPolarHBondContact O-CG 3.48Å; L68-L72 PolarHBondContact O-N 3.09Å; K69-L72 PolarHBondContact O-N 2.92Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 2.91Å; L72-V75 PolarHBondContact O-N 3.03Å; L72-V75 VanDerWaalsContact O-N 3.14Å; L72-I76 WeakPolarHBondContact O-CG1 3.2Å; L72-I76 PolarHBondContact O-N 3.15Å; L72-F87 HydrophobicContact CB-CD2 3.4Å; L72-F87 HydrophobicContact CB-CE2 3.72Å; L72-F87 HydrophobicContact CB-CG 4.08Å; L72-F87 HydrophobicContact CD1-CD1 4.15Å; L72-F87 HydrophobicContact CD1-CD2 3.96Å; L72-F87 HydrophobicContact CD1-CE1 4.32Å; L72-F87 HydrophobicContact CD1-CE2 4.08Å; L72-F87 HydrophobicContact CD1-CG 3.97Å; L72-F87 HydrophobicContact CD1-CZ 4.28Å; L72-F87 HydrophobicContact CD2-CE2 4.49Å; L72-F87 HydrophobicContact CG-CD2 4.26Å; L72-F87 HydrophobicContact CG-CE2 4.32Å; L72-M95 HydrophobicContact CD1-SD 4.29Å; L72-W116 HydrophobicContact CD2-CZ3 3.98Å; L72-I119 HydrophobicContact CD1-CD1 4.35Å; L72-I119 HydrophobicContact CD2-CD1 3.71Å; L72-I119 HydrophobicContact CD2-CG2 4.25Å
73	N	93.3	Very high	89.8	Confident	43 Å²	43	64 Å²	64	23%	0.23	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-32.9	176.2	-72.7	-34.1	0	0	0	112.4	K69 V75 I76 S77 G86 F87	K69-N73 WeakPolarHBondContact CG-ND2 3.33Å; K69-N73 WeakPolarHBondContact O-CB 3.27Å; K69-N73 PolarHBondContact O-N 2.68Å; K69-N73 PolarHBondContact O-ND2 2.95Å; K69-N73 VanDerWaalsContact O-ND2 3.17Å; N73-V75 VanDerWaalsContact C-N 3.33Å; N73-V75 PolarHBondContact O-N 3.27Å; N73-I76 PolarHBondContact O-N 2.84Å; N73-S77 PolarHBondContact O-N 3.15Å; N73-S77 PolarHBondContact O-OG 3.43Å; N73-G86 WeakPolarHBondContact OD1-CA 3.12Å; N73-F87 PolarHBondContact ND2-O 2.84Å; N73-F87 PolarHBondContact OD1-N 3.27Å
74	R	89.7	Confident	89.6	Confident	149 Å²	149	65.9 Å²	65.9	56%	0.562	34%	0.335	S	S	*	.	H	α-helix	trans	-64.3	-37	171.2	-175	-178.8	-64.2	178.8	1.8	112.1	D70 I71 L72 S77	D70-R74 WeakPolarHBondContact O-CB 3.49Å; D70-R74 PolarHBondContact O-N 2.91Å; I71-R74 WeakPolarHBondContact O-CB 3.36Å; I71-R74 PolarHBondContact O-N 3.35Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 2.91Å; R74-S77 PolarHBondContact O-OG 2.84Å
75	V	82.9	Confident	89.3	Confident	33 Å²	33	71.3 Å²	71.3	20%	0.2	36%	0.362	C	S	.	.	H	α-helix	trans	-70.1	-45.1	175.8	170.2	0	0	0	0	111.3	I71 L72 N73 S77 R78 H79 W116	I71-V75 WeakPolarHBondContact O-CG2 3.49Å; I71-V75 PolarHBondContact O-N 2.87Å; L72-V75 PolarHBondContact O-N 3.03Å; L72-V75 VanDerWaalsContact O-N 3.14Å; N73-V75 VanDerWaalsContact C-N 3.33Å; N73-V75 PolarHBondContact O-N 3.27Å; V75-S77 VanDerWaalsContact C-N 3.31Å; V75-S77 PolarHBondContact O-N 3.46Å; V75-R78 WeakPolarHBondContact O-CB 3.42Å; V75-R78 PolarHBondContact O-N 2.95Å; V75-R78 VanDerWaalsContact O-N 3.15Å; V75-H79 PolarHBondContact O-ND1 2.99Å; V75-W116 HydrophobicContact CG2-CH2 3.72Å; V75-W116 HydrophobicContact CG2-CZ2 4.34Å
76	I	86.1	Confident	89.2	Confident	20 Å²	20	71 Å²	71	10%	0.103	36%	0.364	C	S	.	.	H	α-helix	trans	-56.8	-45.6	177.3	-75.5	168.1	0	0	0	111.2	L72 N73 R78 H79 T84 F87 F174	L72-I76 WeakPolarHBondContact O-CG1 3.2Å; L72-I76 PolarHBondContact O-N 3.15Å; N73-I76 PolarHBondContact O-N 2.84Å; I76-R78 PolarHBondContact O-N 3.34Å; I76-H79 CarbonylContact O-C 3.57Å; I76-H79 PolarHBondContact O-N 2.97Å; I76-T84 HydrophobicContact CB-CG2 4.45Å; I76-T84 HydrophobicContact CD1-CG2 4Å; I76-T84 HydrophobicContact CG1-CG2 4.35Å; I76-T84 HydrophobicContact CG2-CG2 3.3Å; I76-F87 HydrophobicContact CD1-CD2 3.38Å; I76-F87 HydrophobicContact CD1-CE2 3.31Å; I76-F87 HydrophobicContact CD1-CZ 4.43Å; I76-F87 HydrophobicContact CG1-CE2 4.22Å; I76-F174 HydrophobicContact CD1-CD1 3.99Å; I76-F174 HydrophobicContact CD1-CE1 4.22Å; I76-F174 HydrophobicContact CG1-CD1 3.94Å; I76-F174 HydrophobicContact CG1-CE1 3.93Å
77	S	84.8	Confident	89.1	Confident	95 Å²	95	66.8 Å²	66.8	66%	0.664	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-15.4	-177.5	62	0	0	0	0	114.1	N73 R74 V75	N73-S77 PolarHBondContact O-N 3.15Å; N73-S77 PolarHBondContact O-OG 3.43Å; R74-S77 PolarHBondContact O-OG 2.84Å; V75-S77 VanDerWaalsContact C-N 3.31Å; V75-S77 PolarHBondContact O-N 3.46Å
78	R	84.3	Confident	89	Confident	195 Å²	195	67 Å²	67	74%	0.736	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.2	-10	173.7	-62.6	177.5	178.5	-179.7	-1.5	113.7	V75 I76	V75-R78 WeakPolarHBondContact O-CB 3.42Å; V75-R78 PolarHBondContact O-N 2.95Å; V75-R78 VanDerWaalsContact O-N 3.15Å; I76-R78 PolarHBondContact O-N 3.34Å
79	H	80.6	Confident	89	Confident	72 Å²	72	69 Å²	69	33%	0.333	36%	0.358	S	S	.	.			trans	-118.2	83	-177.2	-62.5	89.7	0	0	0	110.1	V75 I76 N81 L82 Q123	V75-H79 PolarHBondContact O-ND1 2.99Å; I76-H79 CarbonylContact O-C 3.57Å; I76-H79 PolarHBondContact O-N 2.97Å; H79-N81 PolarHBondContact O-N 3.21Å; H79-L82 HydrophobicContact CB-CD1 3.7Å; H79-L82 HydrophobicContact CB-CG 3.97Å; H79-L82 PolarHBondContact O-N 3.21Å; H79-L82 VanDerWaalsContact O-N 3.16Å; H79-Q123 PolarHBondContact CE1-NE2 2.72Å; H79-Q123 PolarHBondContact NE2-NE2 2.81Å
80	S	74.7	Confident	88.9	Confident	113 Å²	113	70 Å²	70	79%	0.79	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-13.6	-179.5	51.8	0	0	0	0	115.3
81	N	79.3	Confident	88.9	Confident	119 Å²	119	67.1 Å²	67.1	64%	0.636	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	-9.8	-173.8	-46.7	-7.1	0	0	0	111.9	H79	H79-N81 PolarHBondContact O-N 3.21Å
82	L	85.9	Confident	89.1	Confident	14 Å²	14	66.1 Å²	66.1	7%	0.073	35%	0.346	C	S	.	.			trans	-89.6	119.3	176.9	-63.6	176.9	0	0	0	108.9	H79 Y126 L127 F174	H79-L82 HydrophobicContact CB-CD1 3.7Å; H79-L82 HydrophobicContact CB-CG 3.97Å; H79-L82 PolarHBondContact O-N 3.21Å; H79-L82 VanDerWaalsContact O-N 3.16Å; L82-Y126 HydrophobicContact CD2-CD1 3.7Å; L82-Y126 HydrophobicContact CD2-CE1 3.75Å; L82-L127 HydrophobicContact CD2-CD2 3.55Å; L82-L127 HydrophobicContact CD2-CG 4.19Å; L82-L127 HydrophobicContact CG-CD2 4.43Å; L82-F174 HydrophobicContact CB-CB 4.34Å; L82-F174 HydrophobicContact CB-CG 4.43Å; L82-F174 HydrophobicContact CD1-CD1 4.01Å; L82-F174 HydrophobicContact CD1-CD2 4.11Å; L82-F174 HydrophobicContact CD1-CE1 4.04Å; L82-F174 HydrophobicContact CD1-CE2 4.15Å; L82-F174 HydrophobicContact CD1-CG 4.03Å; L82-F174 HydrophobicContact CD1-CZ 4.11Å; L82-F174 HydrophobicContact CD2-CB 4.47Å; L82-F174 HydrophobicContact CD2-CD2 3.84Å; L82-F174 HydrophobicContact CD2-CE2 4.33Å; L82-F174 HydrophobicContact CD2-CG 4.17Å; L82-F174 HydrophobicContact CG-CG 4.45Å
83	K	90.4	Very high	89.2	Confident	120 Å²	120	71.6 Å²	71.6	52%	0.522	37%	0.366	S	S	.	.			trans	-78.4	135	163.9	-74.1	-179.7	173.1	165.3	0	109.2	S134 G135 T136 D173 F174	K83-S134 VanDerWaalsContact CD-O 3.26Å; K83-S134 WeakPolarHBondContact CD-O 3.35Å; K83-S134 WeakPolarHBondContact CE-O 3.49Å; K83-S134 PolarHBondContact NZ-O 3.5Å; K83-G135 WeakPolarHBondContact CB-O 3.37Å; K83-G135 PolarHBondContact N-O 2.83Å; K83-T136 HydrophobicContact CB-CG2 4.14Å; K83-T136 HydrophobicContact CD-CG2 3.96Å; K83-D173 WeakPolarHBondContact O-CB 3.19Å; K83-F174 WeakPolarHBondContact O-CB 3.43Å; K83-F174 PolarHBondContact O-N 3.23Å
84	T	92.1	Very high	89.3	Confident	38 Å²	38	70.4 Å²	70.4	23%	0.233	36%	0.361	C	S	.	.			trans	-174	148.9	-179.2	173.6	0	0	0	0	108.6	I76 G86 D175	I76-T84 HydrophobicContact CB-CG2 4.45Å; I76-T84 HydrophobicContact CD1-CG2 4Å; I76-T84 HydrophobicContact CG1-CG2 4.35Å; I76-T84 HydrophobicContact CG2-CG2 3.3Å; T84-G86 VanDerWaalsContact C-N 3.29Å; T84-G86 WeakPolarHBondContact OG1-CA 3.48Å; T84-G86 PolarHBondContact OG1-N 3.09Å; T84-D175 VanDerWaalsContact CB-OD1 3.29Å; T84-D175 WeakPolarHBondContact CB-OD1 3.32Å; T84-D175 PolarHBondContact OG1-OD1 3.31Å
85	D	90.9	Very high	89.5	Confident	133 Å²	133	63.6 Å²	63.6	71%	0.711	34%	0.335	S	S	*	.	S	Bend	trans	-87.5	-3	167.8	66.7	-7.4	0	0	0	112.7
86	G	93.1	Very high	90.1	Very high	17 Å²	17	62.2 Å²	62.2	18%	0.175	33%	0.327	C	S	.	.			trans	94.5	148.2	-178.7	0	0	0	0	0	112.2	N73 T84 S88	N73-G86 WeakPolarHBondContact OD1-CA 3.12Å; T84-G86 VanDerWaalsContact C-N 3.29Å; T84-G86 WeakPolarHBondContact OG1-CA 3.48Å; T84-G86 PolarHBondContact OG1-N 3.09Å; G86-S88 PolarHBondContact O-N 3.34Å
87	F	94.9	Very high	90.4	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.018	33%	0.334	C	S	.	.			trans	-61.4	118.8	176.6	-70.3	-81.4	0	0	0	110.6	K69 L72 N73 I76 M95 F174 D175 I178	K69-F87 WeakPolarHBondContact CE-O 3.26Å; K69-F87 WeakPolarHBondContact CG-O 3.03Å; L72-F87 HydrophobicContact CB-CD2 3.4Å; L72-F87 HydrophobicContact CB-CE2 3.72Å; L72-F87 HydrophobicContact CB-CG 4.08Å; L72-F87 HydrophobicContact CD1-CD1 4.15Å; L72-F87 HydrophobicContact CD1-CD2 3.96Å; L72-F87 HydrophobicContact CD1-CE1 4.32Å; L72-F87 HydrophobicContact CD1-CE2 4.08Å; L72-F87 HydrophobicContact CD1-CG 3.97Å; L72-F87 HydrophobicContact CD1-CZ 4.28Å; L72-F87 HydrophobicContact CD2-CE2 4.49Å; L72-F87 HydrophobicContact CG-CD2 4.26Å; L72-F87 HydrophobicContact CG-CE2 4.32Å; N73-F87 PolarHBondContact ND2-O 2.84Å; N73-F87 PolarHBondContact OD1-N 3.27Å; I76-F87 HydrophobicContact CD1-CD2 3.38Å; I76-F87 HydrophobicContact CD1-CE2 3.31Å; I76-F87 HydrophobicContact CD1-CZ 4.43Å; I76-F87 HydrophobicContact CG1-CE2 4.22Å; F87-M95 HydrophobicContact CD1-CE 3.79Å; F87-M95 HydrophobicContact CE1-CE 3.58Å; F87-F174 HydrophobicContact CE2-CD1 4.36Å; F87-F174 HydrophobicContact CE2-CE1 4.09Å; F87-F174 HydrophobicContact CZ-CD1 4.37Å; F87-F174 HydrophobicContact CZ-CE1 4.14Å; F87-D175 HydrophobicContact CD1-CB 3.71Å; F87-D175 HydrophobicContact CD2-CB 4.35Å; F87-D175 HydrophobicContact CE1-CB 3.61Å; F87-D175 HydrophobicContact CE2-CB 4.32Å; F87-D175 HydrophobicContact CG-CB 4.09Å; F87-D175 HydrophobicContact CZ-CB 3.95Å; F87-I178 HydrophobicContact CE1-CB 4Å; F87-I178 HydrophobicContact CE1-CG2 3.98Å; F87-I178 HydrophobicContact CZ-CB 3.89Å; F87-I178 HydrophobicContact CZ-CG1 4.2Å; F87-I178 HydrophobicContact CZ-CG2 3.94Å
88	S	95.5	Very high	90.7	Very high	52 Å²	52	59 Å²	59	36%	0.364	31%	0.308	S	S	.	.			trans	-70.6	159.8	171.8	84.6	0	0	0	0	111	G86 E90 S91 C92	G86-S88 PolarHBondContact O-N 3.34Å; S88-E90 PolarHBondContact O-N 2.86Å; S88-E90 PolarHBondContact OG-N 3.37Å; S88-S91 PolarHBondContact O-N 3.41Å; S88-S91 PolarHBondContact OG-N 2.79Å; S88-S91 PolarHBondContact OG-OG 3.43Å; S88-C92 PolarHBondContact O-N 3.11Å; S88-C92 VanDerWaalsContact O-N 3.14Å; S88-C92 PolarHBondContact O-SG 3.01Å
89	I	95.9	Very high	91.1	Very high	43 Å²	43	50.3 Å²	50.3	22%	0.221	28%	0.275	C	S	.	.	H	α-helix	trans	-63.3	-32.7	173.8	-173.9	54.8	0	0	0	111.6	P65 N66 K69 C92 R93	P65-I89 HydrophobicContact CB-CD1 3.92Å; N66-I89 WeakPolarHBondContact OD1-CD1 3.46Å; K69-I89 HydrophobicContact CD-CB 4.23Å; I89-C92 PolarHBondContact O-N 3.11Å; I89-R93 WeakPolarHBondContact O-CG 3.45Å; I89-R93 PolarHBondContact O-N 2.86Å
90	E	93.8	Very high	91.6	Very high	87 Å²	87	48 Å²	48	41%	0.407	27%	0.266	S	S	.	.	H	α-helix	trans	-71.7	-41.4	-179.1	-163.2	60.1	-162.4	0	0	111.2	S88 C92 R93 S94	S88-E90 PolarHBondContact O-N 2.86Å; S88-E90 PolarHBondContact OG-N 3.37Å; E90-C92 VanDerWaalsContact C-N 3.26Å; E90-C92 PolarHBondContact O-N 3.02Å; E90-R93 PolarHBondContact O-N 2.94Å; E90-R93 IonicContact OE2-NH1 3.85Å; E90-R93 PolarHBondContact OE2-NH1 2.79Å; E90-S94 PolarHBondContact O-N 3.23Å
91	S	93.6	Very high	92.1	Very high	36 Å²	36	47 Å²	47	25%	0.252	26%	0.259	S	S	.	.	H	α-helix	trans	-57.7	-42.1	171.6	-52.9	0	0	0	0	110.9	S88 S94 M95	S88-S91 PolarHBondContact O-N 3.41Å; S88-S91 PolarHBondContact OG-N 2.79Å; S88-S91 PolarHBondContact OG-OG 3.43Å; S91-S94 WeakPolarHBondContact O-CB 3.5Å; S91-S94 PolarHBondContact O-N 3.22Å; S91-M95 VanDerWaalsContact O-CG 3.25Å; S91-M95 WeakPolarHBondContact O-CG 3.41Å; S91-M95 PolarHBondContact O-N 3.49Å
92	C	96.1	Very high	92.4	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-71.2	-35.9	178.7	-63.3	0	0	0	0	112.9	P65 L68 K69 S88 I89 E90 S94 M95 V96	P65-C92 HydrophobicContact CB-CB 4.41Å; P65-C92 VanDerWaalsContact O-CB 3.31Å; P65-C92 WeakPolarHBondContact O-CB 3.36Å; L68-C92 HydrophobicContact CD2-CB 4.23Å; L68-C92 HydrophobicContact CG-CB 4.46Å; K69-C92 WeakPolarHBondContact CA-SG 3.25Å; K69-C92 HydrophobicContact CB-CB 4.23Å; K69-C92 VanDerWaalsContact CB-SG 3.59Å; S88-C92 PolarHBondContact O-N 3.11Å; S88-C92 VanDerWaalsContact O-N 3.14Å; S88-C92 PolarHBondContact O-SG 3.01Å; I89-C92 PolarHBondContact O-N 3.11Å; E90-C92 VanDerWaalsContact C-N 3.26Å; E90-C92 PolarHBondContact O-N 3.02Å; C92-S94 VanDerWaalsContact C-N 3.33Å; C92-M95 PolarHBondContact O-N 3.21Å; C92-V96 VanDerWaalsContact O-CG2 3.31Å; C92-V96 WeakPolarHBondContact O-CG2 3.4Å; C92-V96 PolarHBondContact O-N 3.01Å
93	R	95.7	Very high	92.5	Very high	121 Å²	121	48.4 Å²	48.4	46%	0.457	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-45	171.5	-77.4	177.8	-177	142.5	-1.7	111.2	P65 I89 E90 M95 V96 A97	P65-R93 HydrophobicContact CB-CG 3.78Å; P65-R93 HydrophobicContact CG-CG 3.97Å; I89-R93 WeakPolarHBondContact O-CG 3.45Å; I89-R93 PolarHBondContact O-N 2.86Å; E90-R93 PolarHBondContact O-N 2.94Å; E90-R93 IonicContact OE2-NH1 3.85Å; E90-R93 PolarHBondContact OE2-NH1 2.79Å; R93-M95 PolarHBondContact O-N 3.44Å; R93-V96 PolarHBondContact O-N 3.03Å; R93-A97 VanDerWaalsContact O-CB 3.32Å; R93-A97 WeakPolarHBondContact O-CB 3.32Å; R93-A97 PolarHBondContact O-N 3Å
94	S	94.1	Very high	92.5	Very high	18 Å²	18	45.7 Å²	45.7	13%	0.126	27%	0.268	C	S	.	.	H	α-helix	trans	-59.7	-46.8	176.4	-164	0	0	0	0	111.9	E90 S91 C92 V96 A97 V98 R183 S216	E90-S94 PolarHBondContact O-N 3.23Å; S91-S94 WeakPolarHBondContact O-CB 3.5Å; S91-S94 PolarHBondContact O-N 3.22Å; C92-S94 VanDerWaalsContact C-N 3.33Å; S94-V96 PolarHBondContact O-N 2.96Å; S94-A97 PolarHBondContact O-N 3.48Å; S94-V98 WeakPolarHBondContact O-CG2 3.24Å; S94-V98 PolarHBondContact O-N 2.77Å; S94-V98 VanDerWaalsContact O-N 3.14Å; S94-R183 PolarHBondContact OG-NH1 2.89Å; S94-S216 WeakPolarHBondContact CA-O 3.46Å; S94-S216 WeakPolarHBondContact CB-O 3.31Å; S94-S216 VanDerWaalsContact CB-OXT 3.28Å; S94-S216 WeakPolarHBondContact CB-OXT 3.5Å; S94-S216 PolarHBondContact N-O 3.47Å; S94-S216 VanDerWaalsContact OG-C 3.25Å; S94-S216 PolarHBondContact OG-O 2.57Å; S94-S216 PolarHBondContact OG-OXT 3.5Å
95	M	95.2	Very high	92.5	Very high	5 Å²	5	46 Å²	46	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-42.9	176.6	-69.7	173	-169.5	0	0	112.7	L68 L72 F87 S91 C92 R93 M99 I178 G179 V182	L68-M95 HydrophobicContact CD2-CB 4.02Å; L68-M95 HydrophobicContact CD2-SD 4.47Å; L72-M95 HydrophobicContact CD1-SD 4.29Å; F87-M95 HydrophobicContact CD1-CE 3.79Å; F87-M95 HydrophobicContact CE1-CE 3.58Å; S91-M95 VanDerWaalsContact O-CG 3.25Å; S91-M95 WeakPolarHBondContact O-CG 3.41Å; S91-M95 PolarHBondContact O-N 3.49Å; C92-M95 PolarHBondContact O-N 3.21Å; R93-M95 PolarHBondContact O-N 3.44Å; M95-M99 WeakPolarHBondContact O-CB 3.24Å; M95-M99 WeakPolarHBondContact O-CG 3.22Å; M95-M99 PolarHBondContact O-N 2.93Å; M95-I178 HydrophobicContact CE-CG2 4.09Å; M95-G179 VanDerWaalsContact CE-CA 3.49Å; M95-V182 HydrophobicContact CB-CG1 4.15Å; M95-V182 HydrophobicContact CG-CB 4.2Å; M95-V182 HydrophobicContact CG-CG1 3.86Å; M95-V182 HydrophobicContact CG-CG2 4.17Å; M95-V182 HydrophobicContact SD-CG2 4.47Å
96	V	95.3	Very high	92.7	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-63.6	-49.5	176.8	170.1	0	0	0	0	109.8	P65 L68 C92 R93 S94 V98 M99 D100 L107	P65-V96 HydrophobicContact CB-CG2 4.35Å; P65-V96 HydrophobicContact CG-CB 4.14Å; P65-V96 HydrophobicContact CG-CG1 4.31Å; P65-V96 HydrophobicContact CG-CG2 3.95Å; L68-V96 HydrophobicContact CD2-CG2 3.85Å; C92-V96 VanDerWaalsContact O-CG2 3.31Å; C92-V96 WeakPolarHBondContact O-CG2 3.4Å; C92-V96 PolarHBondContact O-N 3.01Å; R93-V96 PolarHBondContact O-N 3.03Å; S94-V96 PolarHBondContact O-N 2.96Å; V96-V98 VanDerWaalsContact C-N 3.28Å; V96-V98 PolarHBondContact O-N 3.34Å; V96-M99 CarbonylContact O-C 3.57Å; V96-M99 PolarHBondContact O-N 3.36Å; V96-D100 WeakPolarHBondContact O-CB 3.43Å; V96-D100 PolarHBondContact O-N 3.43Å; V96-L107 HydrophobicContact CB-CD2 4.45Å; V96-L107 HydrophobicContact CB-CG 4.43Å; V96-L107 HydrophobicContact CG1-CD2 4.08Å; V96-L107 HydrophobicContact CG1-CG 4.15Å; V96-L107 HydrophobicContact CG2-CD1 4.03Å; V96-L107 HydrophobicContact CG2-CG 4.03Å
97	A	92.9	Very high	92.8	Very high	30 Å²	30	41.7 Å²	41.7	25%	0.248	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-34.4	-175.2	0	0	0	0	0	113.5	R93 S94 Y215	R93-A97 VanDerWaalsContact O-CB 3.32Å; R93-A97 WeakPolarHBondContact O-CB 3.32Å; R93-A97 PolarHBondContact O-N 3Å; S94-A97 PolarHBondContact O-N 3.48Å; A97-Y215 HydrophobicContact CB-CD1 4.03Å; A97-Y215 WeakPolarHBondContact O-CE1 3.3Å
98	V	90.9	Very high	92.7	Very high	18 Å²	18	42 Å²	42	11%	0.109	25%	0.253	C	S	.	.	H	α-helix	trans	-85.7	-9.7	178	-56.6	0	0	0	0	114.1	S94 V96 V182 A186 Y215	S94-V98 WeakPolarHBondContact O-CG2 3.24Å; S94-V98 PolarHBondContact O-N 2.77Å; S94-V98 VanDerWaalsContact O-N 3.14Å; V96-V98 VanDerWaalsContact C-N 3.28Å; V96-V98 PolarHBondContact O-N 3.34Å; V98-V182 HydrophobicContact CG2-CG1 3.6Å; V98-A186 HydrophobicContact CB-CB 3.68Å; V98-A186 HydrophobicContact CG2-CB 3.9Å; V98-Y215 HydrophobicContact CG1-CD1 4.44Å; V98-Y215 HydrophobicContact CG1-CG 4.1Å
99	M	91.8	Very high	92.4	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.059	24%	0.24	C	C	.	.	H	α-helix	trans	-106	-23	178.1	-68.2	-59.5	-157.4	0	0	113.2	M95 V96 S101 L107 Y114 L115 V182 R189	M95-M99 WeakPolarHBondContact O-CB 3.24Å; M95-M99 WeakPolarHBondContact O-CG 3.22Å; M95-M99 PolarHBondContact O-N 2.93Å; V96-M99 CarbonylContact O-C 3.57Å; V96-M99 PolarHBondContact O-N 3.36Å; M99-S101 PolarHBondContact O-N 2.95Å; M99-L107 HydrophobicContact CB-CD2 3.67Å; M99-Y114 HydrophobicContact CE-CD1 3.83Å; M99-Y114 HydrophobicContact CE-CE1 3.7Å; M99-Y114 HydrophobicContact SD-CD1 3.82Å; M99-Y114 HydrophobicContact SD-CE1 3.83Å; M99-L115 HydrophobicContact CE-CB 4.06Å; M99-L115 HydrophobicContact CE-CD1 3.49Å; M99-L115 VanDerWaalsContact CE-CD1 3.49Å; M99-L115 HydrophobicContact CE-CG 4.36Å; M99-L115 HydrophobicContact CG-CB 4.32Å; M99-L115 HydrophobicContact CG-CD1 4.18Å; M99-L115 HydrophobicContact CG-CD2 4.45Å; M99-V182 HydrophobicContact CE-CG1 4.07Å; M99-R189 PolarHBondContact SD-NH2 3.29Å; M99-R189 VanDerWaalsContact SD-NH2 3.36Å
100	D	91	Very high	92.1	Very high	25 Å²	25	40.5 Å²	40.5	13%	0.134	24%	0.239	C	C	.	.			trans	-70	93.1	177.4	176	14.5	0	0	0	110.4	V96 S103 T104 G105 L107	V96-D100 WeakPolarHBondContact O-CB 3.43Å; V96-D100 PolarHBondContact O-N 3.43Å; D100-S103 WeakPolarHBondContact OD1-CA 3.5Å; D100-S103 PolarHBondContact OD1-N 3.43Å; D100-S103 WeakPolarHBondContact OD2-CA 3.3Å; D100-T104 PolarHBondContact OD1-N 3.33Å; D100-T104 PolarHBondContact OD2-N 3.02Å; D100-G105 VanDerWaalsContact OD2-CA 3.24Å; D100-G105 WeakPolarHBondContact OD2-CA 3.47Å; D100-G105 PolarHBondContact OD2-N 2.88Å; D100-L107 HydrophobicContact CB-CD2 4.36Å
101	S	86.3	Confident	92.1	Very high	91 Å²	91	36.6 Å²	36.6	64%	0.636	22%	0.22	S	C	*	.	S	Bend	trans	-86.7	-22.5	-173.6	65.9	0	0	0	0	112.9	M99 E111	M99-S101 PolarHBondContact O-N 2.95Å; S101-E111 WeakPolarHBondContact CB-OE1 3.27Å; S101-E111 PolarHBondContact N-OE1 3.38Å; S101-E111 PolarHBondContact OG-OE1 3.44Å
102	D	86.1	Confident	92.1	Very high	60 Å²	60	34.9 Å²	34.9	32%	0.321	21%	0.209	S	C	.	.	S	Bend	trans	-101.5	3.8	177.4	63.6	-12.9	0	0	0	113.9	R32 T104	R32-D102 IonicContact CZ-OD2 2.99Å; R32-D102 IonicContact NH1-OD2 2.57Å; R32-D102 PolarHBondContact NH1-OD2 2.88Å; R32-D102 IonicContact NH2-OD1 2.7Å; R32-D102 IonicContact NH2-OD2 3.6Å; R32-D102 PolarHBondContact NH2-OD2 3.38Å; D102-T104 PolarHBondContact O-N 3.35Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.46Å
103	S	87.4	Confident	91.8	Very high	103 Å²	103	37.3 Å²	37.3	72%	0.72	22%	0.219	S	C	*	.			trans	62.2	36.5	173.1	-54.5	0	0	0	0	113.7	D100 G105	D100-S103 WeakPolarHBondContact OD1-CA 3.5Å; D100-S103 PolarHBondContact OD1-N 3.43Å; D100-S103 WeakPolarHBondContact OD2-CA 3.3Å; S103-G105 VanDerWaalsContact C-N 3.28Å
104	T	90.3	Very high	91.7	Very high	62 Å²	62	32.6 Å²	32.6	38%	0.38	20%	0.201	S	C	.	.	S	Bend	trans	-79.3	-15.5	176.2	70.5	0	0	0	0	112.3	E62 D100 D102 K106	E62-T104 VanDerWaalsContact OE1-CB 3.26Å; E62-T104 WeakPolarHBondContact OE1-CB 3.49Å; E62-T104 WeakPolarHBondContact OE1-CG2 3.49Å; E62-T104 PolarHBondContact OE1-OG1 3.4Å; D100-T104 PolarHBondContact OD1-N 3.33Å; D100-T104 PolarHBondContact OD2-N 3.02Å; D102-T104 PolarHBondContact O-N 3.35Å; D102-T104 WeakPolarHBondContact OD1-CG2 3.46Å; T104-K106 VanDerWaalsContact C-N 3.29Å; T104-K106 PolarHBondContact OG1-N 3.47Å; T104-K106 PolarHBondContact OG1-O 2.87Å
105	G	91.3	Very high	91.7	Very high	44 Å²	44	31.8 Å²	31.8	45%	0.454	20%	0.196	S	C	.	.	S	Bend	trans	82.8	4.3	-171.8	0	0	0	0	0	113.5	D100 S103	D100-G105 VanDerWaalsContact OD2-CA 3.24Å; D100-G105 WeakPolarHBondContact OD2-CA 3.47Å; D100-G105 PolarHBondContact OD2-N 2.88Å; S103-G105 VanDerWaalsContact C-N 3.28Å
106	K	95.4	Very high	91.6	Very high	60 Å²	60	33.2 Å²	33.2	26%	0.261	20%	0.201	S	C	.	.	S	Bend	trans	-141.5	176.8	-180	-61.6	-175.4	-176.2	168.5	0	109.6	D60 E62 T104	D60-K106 IonicContact OD2-NZ 2.62Å; D60-K106 PolarHBondContact OD2-NZ 3.45Å; E62-K106 HydrophobicContact CB-CB 3.6Å; E62-K106 HydrophobicContact CB-CD 3.76Å; E62-K106 HydrophobicContact CB-CG 4.36Å; E62-K106 HydrophobicContact CG-CB 4.43Å; T104-K106 VanDerWaalsContact C-N 3.29Å; T104-K106 PolarHBondContact OG1-N 3.47Å; T104-K106 PolarHBondContact OG1-O 2.87Å
107	L	95.1	Very high	91.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	22%	0.216	C	C	.	.	B	Isolated β-bridge	trans	-107.2	117	179.6	-55.4	179	0	0	0	111	E62 V63 V96 M99 D100 E111 F112 L115	E62-L107 CarbonylContact C-O 3.57Å; E62-L107 WeakPolarHBondContact CA-O 3.23Å; V63-L107 HydrophobicContact CB-CB 4.28Å; V63-L107 PolarHBondContact N-O 3.1Å; V63-L107 PolarHBondContact O-N 3.32Å; V96-L107 HydrophobicContact CB-CD2 4.45Å; V96-L107 HydrophobicContact CB-CG 4.43Å; V96-L107 HydrophobicContact CG1-CD2 4.08Å; V96-L107 HydrophobicContact CG1-CG 4.15Å; V96-L107 HydrophobicContact CG2-CD1 4.03Å; V96-L107 HydrophobicContact CG2-CG 4.03Å; M99-L107 HydrophobicContact CB-CD2 3.67Å; D100-L107 HydrophobicContact CB-CD2 4.36Å; L107-E111 HydrophobicContact CB-CB 4.21Å; L107-E111 HydrophobicContact CD2-CB 4.06Å; L107-F112 HydrophobicContact CB-CB 4.14Å; L107-F112 HydrophobicContact CD1-CD2 4.44Å; L107-L115 HydrophobicContact CD1-CD2 3.59Å
108	G	93.3	Very high	91.5	Very high	11 Å²	11	35 Å²	35	11%	0.113	21%	0.206	C	C	.	.			trans	-67.5	172.8	167	0	0	0	0	0	111.8	H110 E111 F112	G108-H110 VanDerWaalsContact C-N 3.31Å; G108-H110 PolarHBondContact O-N 3.07Å; G108-E111 PolarHBondContact N-OE2 3.19Å; G108-E111 PolarHBondContact O-N 3Å; G108-F112 WeakPolarHBondContact O-CB 3.45Å; G108-F112 PolarHBondContact O-N 3.01Å
109	F	89.6	Confident	91.7	Very high	20 Å²	20	34.6 Å²	34.6	9%	0.088	20%	0.203	C	C	.	.	H	α-helix	trans	-51.2	-45.9	-176.4	176.5	-107.3	0	0	0	113.8	E46 F49 R50 F53 K113	E46-F109 HydrophobicContact CG-CZ 4.25Å; F49-F109 AromaticContact CD1-CE2 3.62Å; F49-F109 HydrophobicContact CD1-CE2 3.62Å; F49-F109 AromaticContact CD1-CZ 3.97Å; F49-F109 HydrophobicContact CD1-CZ 3.97Å; F49-F109 AromaticContact CE1-CE2 3.99Å; F49-F109 HydrophobicContact CE1-CE2 3.99Å; R50-F109 HydrophobicContact CB-CE2 3.96Å; R50-F109 HydrophobicContact CB-CZ 4.23Å; R50-F109 HydrophobicContact CG-CE2 4.39Å; R50-F109 VanDerWaalsContact NH2-CE1 3.27Å; F53-F109 HydrophobicContact CB-CD2 3.91Å; F53-F109 HydrophobicContact CB-CE2 4.2Å; F53-F109 HydrophobicContact CD1-CB 4.24Å; F53-F109 AromaticContact CD1-CD2 3.75Å; F53-F109 HydrophobicContact CD1-CD2 3.75Å; F53-F109 HydrophobicContact CD1-CG 4.48Å; F53-F109 HydrophobicContact CD2-CD2 4.17Å; F53-F109 HydrophobicContact CE1-CB 3.92Å; F53-F109 HydrophobicContact CE1-CD2 4.3Å; F53-F109 HydrophobicContact CE2-CB 4.3Å; F53-F109 AromaticContact CG-CD2 3.67Å; F53-F109 HydrophobicContact CG-CD2 3.67Å; F53-F109 HydrophobicContact CG-CE2 4.44Å; F53-F109 HydrophobicContact CZ-CB 3.94Å; F53-F109 VanDerWaalsContact CZ-N 3.35Å; F109-K113 HydrophobicContact CE1-CD 4.24Å; F109-K113 HydrophobicContact CZ-CD 4.31Å; F109-K113 WeakPolarHBondContact O-CB 3.49Å; F109-K113 PolarHBondContact O-N 3.43Å
110	H	89.4	Confident	91.7	Very high	43 Å²	43	38.2 Å²	38.2	20%	0.199	22%	0.219	C	C	.	.	H	α-helix	trans	-71	-38.3	-176.4	-70.1	-66.5	0	0	0	112.9	P29 G108 K113 Y114	P29-H110 HydrophobicContact CB-CB 4.28Å; G108-H110 VanDerWaalsContact C-N 3.31Å; G108-H110 PolarHBondContact O-N 3.07Å; H110-K113 PolarHBondContact O-N 3.25Å; H110-Y114 WeakPolarHBondContact O-CB 3.47Å; H110-Y114 PolarHBondContact O-N 3.48Å
111	E	93	Very high	91.9	Very high	5 Å²	5	40.9 Å²	40.9	2%	0.023	23%	0.229	C	C	.	.	H	α-helix	trans	-69.9	-44.7	178.4	-66.1	158.7	157.7	0	0	110.3	R32 S101 L107 G108 K113 Y114 L115	R32-E111 IonicContact NH2-OE1 3.13Å; R32-E111 IonicContact NH2-OE2 3.04Å; S101-E111 WeakPolarHBondContact CB-OE1 3.27Å; S101-E111 PolarHBondContact N-OE1 3.38Å; S101-E111 PolarHBondContact OG-OE1 3.44Å; L107-E111 HydrophobicContact CB-CB 4.21Å; L107-E111 HydrophobicContact CD2-CB 4.06Å; G108-E111 PolarHBondContact N-OE2 3.19Å; G108-E111 PolarHBondContact O-N 3Å; E111-K113 PolarHBondContact O-N 2.96Å; E111-Y114 PolarHBondContact O-N 2.84Å; E111-L115 WeakPolarHBondContact O-CB 3.44Å; E111-L115 PolarHBondContact O-N 3.23Å
112	F	93.8	Very high	92.4	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-42.2	173.8	-177	-105.4	0	0	0	111.8	F49 F53 L56 V63 L68 L107 G108 Y114 L115 W116	F49-F112 AromaticContact CE1-CD1 4Å; F49-F112 HydrophobicContact CE1-CD1 4Å; F49-F112 HydrophobicContact CE1-CE1 4.39Å; F49-F112 HydrophobicContact CE2-CD1 4.44Å; F49-F112 HydrophobicContact CE2-CE1 4.07Å; F49-F112 AromaticContact CZ-CD1 3.49Å; F49-F112 HydrophobicContact CZ-CD1 3.49Å; F49-F112 VanDerWaalsContact CZ-CD1 3.49Å; F49-F112 AromaticContact CZ-CE1 3.54Å; F49-F112 HydrophobicContact CZ-CE1 3.54Å; F53-F112 HydrophobicContact CD2-CB 4.08Å; F53-F112 AromaticContact CD2-CD1 3.64Å; F53-F112 HydrophobicContact CD2-CD1 3.64Å; F53-F112 HydrophobicContact CD2-CE1 4.43Å; F53-F112 HydrophobicContact CD2-CG 4.07Å; F53-F112 HydrophobicContact CE2-CB 4.01Å; F53-F112 HydrophobicContact CE2-CD1 4.4Å; F53-F112 HydrophobicContact CE2-CG 4.39Å; L56-F112 HydrophobicContact CD2-CE1 4.13Å; L56-F112 HydrophobicContact CD2-CE2 3.78Å; L56-F112 HydrophobicContact CD2-CZ 3.47Å; L56-F112 VanDerWaalsContact CD2-CZ 3.47Å; V63-F112 HydrophobicContact CB-CD2 4.11Å; V63-F112 HydrophobicContact CG1-CD2 4.03Å; V63-F112 HydrophobicContact CG1-CE2 4.13Å; V63-F112 HydrophobicContact CG2-CB 4.42Å; V63-F112 HydrophobicContact CG2-CD1 4.47Å; V63-F112 HydrophobicContact CG2-CD2 3.95Å; V63-F112 HydrophobicContact CG2-CE2 4.35Å; V63-F112 HydrophobicContact CG2-CG 4.01Å; L68-F112 HydrophobicContact CD1-CE2 4.04Å; L107-F112 HydrophobicContact CB-CB 4.14Å; L107-F112 HydrophobicContact CD1-CD2 4.44Å; G108-F112 WeakPolarHBondContact O-CB 3.45Å; G108-F112 PolarHBondContact O-N 3.01Å; F112-Y114 VanDerWaalsContact C-N 3.34Å; F112-Y114 PolarHBondContact O-N 3.37Å; F112-L115 PolarHBondContact O-N 3.27Å; F112-W116 HydrophobicContact CE2-CE3 4.28Å; F112-W116 HydrophobicContact CZ-CD2 4.31Å; F112-W116 AromaticContact CZ-CE3 3.82Å; F112-W116 HydrophobicContact CZ-CE3 3.82Å; F112-W116 HydrophobicContact CZ-CZ3 4.34Å; F112-W116 WeakPolarHBondContact O-CB 3.38Å; F112-W116 PolarHBondContact O-N 3.34Å
113	K	90.9	Very high	92.8	Very high	51 Å²	51	34.7 Å²	34.7	22%	0.222	19%	0.188	C	C	.	.	H	α-helix	trans	-59	-45.3	175.2	-171.6	179.5	-177.3	-171.8	0	111.8	E46 F49 F109 H110 E111 N117	E46-K113 IonicContact OE1-NZ 2.65Å; E46-K113 PolarHBondContact OE1-NZ 2.62Å; E46-K113 IonicContact OE2-NZ 3.63Å; F49-K113 HydrophobicContact CD1-CB 4.16Å; F49-K113 HydrophobicContact CD1-CD 4.36Å; F49-K113 HydrophobicContact CD1-CG 3.93Å; F49-K113 VanDerWaalsContact CE1-CA 3.44Å; F49-K113 HydrophobicContact CE1-CB 3.48Å; F49-K113 VanDerWaalsContact CE1-CB 3.48Å; F49-K113 HydrophobicContact CE1-CD 4.5Å; F49-K113 HydrophobicContact CE1-CG 3.69Å; F49-K113 HydrophobicContact CZ-CB 4.17Å; F49-K113 HydrophobicContact CZ-CG 4.39Å; F109-K113 HydrophobicContact CE1-CD 4.24Å; F109-K113 HydrophobicContact CZ-CD 4.31Å; F109-K113 WeakPolarHBondContact O-CB 3.49Å; F109-K113 PolarHBondContact O-N 3.43Å; H110-K113 PolarHBondContact O-N 3.25Å; E111-K113 PolarHBondContact O-N 2.96Å; K113-N117 WeakPolarHBondContact O-CB 3.27Å; K113-N117 VanDerWaalsContact O-CG 3.27Å; K113-N117 PolarHBondContact O-N 3.46Å; K113-N117 PolarHBondContact O-ND2 3.15Å
114	Y	92.4	Very high	93.1	Very high	21 Å²	21	34.9 Å²	34.9	8%	0.082	18%	0.181	C	C	.	.	H	α-helix	trans	-61.3	-53.4	177.7	177	-96.4	0	0	0	111.2	S26 D27 M99 H110 E111 F112 W116 N117 N118 D185 R189	S26-Y114 VanDerWaalsContact CB-OH 3.27Å; S26-Y114 WeakPolarHBondContact CB-OH 3.38Å; S26-Y114 PolarHBondContact O-OH 3.2Å; D27-Y114 WeakPolarHBondContact O-CE2 3.49Å; M99-Y114 HydrophobicContact CE-CD1 3.83Å; M99-Y114 HydrophobicContact CE-CE1 3.7Å; M99-Y114 HydrophobicContact SD-CD1 3.82Å; M99-Y114 HydrophobicContact SD-CE1 3.83Å; H110-Y114 WeakPolarHBondContact O-CB 3.47Å; H110-Y114 PolarHBondContact O-N 3.48Å; E111-Y114 PolarHBondContact O-N 2.84Å; F112-Y114 VanDerWaalsContact C-N 3.34Å; F112-Y114 PolarHBondContact O-N 3.37Å; Y114-W116 PolarHBondContact O-N 3.4Å; Y114-N117 PolarHBondContact O-N 3.16Å; Y114-N118 WeakPolarHBondContact CE1-ND2 3.4Å; Y114-N118 PolarHBondContact O-N 3.49Å; Y114-N118 VanDerWaalsContact O-N 3.12Å; Y114-N118 PolarHBondContact OH-ND2 2.65Å; Y114-D185 PolarHBondContact OH-OD1 3.46Å; Y114-D185 PolarHBondContact OH-OD2 3.25Å; Y114-R189 VanDerWaalsContact OH-CD 3.28Å; Y114-R189 WeakPolarHBondContact OH-CD 3.47Å; Y114-R189 PolarHBondContact OH-NE 3.41Å
115	L	94.9	Very high	93.4	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-56	-49.7	177.1	175.6	61.5	0	0	0	111.4	L68 M99 L107 E111 F112 N117 N118 I119 V182	L68-L115 HydrophobicContact CD1-CD2 3.99Å; L68-L115 HydrophobicContact CD2-CD2 3.91Å; M99-L115 HydrophobicContact CE-CB 4.06Å; M99-L115 HydrophobicContact CE-CD1 3.49Å; M99-L115 VanDerWaalsContact CE-CD1 3.49Å; M99-L115 HydrophobicContact CE-CG 4.36Å; M99-L115 HydrophobicContact CG-CB 4.32Å; M99-L115 HydrophobicContact CG-CD1 4.18Å; M99-L115 HydrophobicContact CG-CD2 4.45Å; L107-L115 HydrophobicContact CD1-CD2 3.59Å; E111-L115 WeakPolarHBondContact O-CB 3.44Å; E111-L115 PolarHBondContact O-N 3.23Å; F112-L115 PolarHBondContact O-N 3.27Å; L115-N117 PolarHBondContact O-N 3.01Å; L115-N118 PolarHBondContact O-N 2.81Å; L115-I119 HydrophobicContact CD1-CD1 3.82Å; L115-I119 HydrophobicContact CD1-CG1 4.11Å; L115-I119 HydrophobicContact CG-CD1 3.88Å; L115-I119 HydrophobicContact CG-CG1 4.47Å; L115-I119 WeakPolarHBondContact O-CG1 3.46Å; L115-I119 PolarHBondContact O-N 2.86Å; L115-V182 HydrophobicContact CD1-CG1 4.35Å; L115-V182 HydrophobicContact CD1-CG2 3.68Å
116	W	92.9	Very high	93.6	Very high	35 Å²	35	30.7 Å²	30.7	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-62.1	-41.9	-177.4	-171.7	-101.4	0	0	0	113.2	F49 I71 L72 V75 F112 Y114 N118 I119 K120	F49-W116 HydrophobicContact CE2-CB 3.95Å; F49-W116 AromaticContact CE2-CD1 3.26Å; F49-W116 HydrophobicContact CE2-CD2 4.39Å; F49-W116 AromaticContact CE2-CG 3.61Å; F49-W116 HydrophobicContact CE2-CG 3.61Å; F49-W116 AromaticContact CE2-NE1 3.84Å; F49-W116 HydrophobicContact CZ-CB 3.84Å; F49-W116 HydrophobicContact CZ-CG 4.01Å; I71-W116 HydrophobicContact CG1-CH2 3.82Å; I71-W116 HydrophobicContact CG1-CZ3 3.94Å; I71-W116 HydrophobicContact CG2-CZ3 4.17Å; L72-W116 HydrophobicContact CD2-CZ3 3.98Å; V75-W116 HydrophobicContact CG2-CH2 3.72Å; V75-W116 HydrophobicContact CG2-CZ2 4.34Å; F112-W116 HydrophobicContact CE2-CE3 4.28Å; F112-W116 HydrophobicContact CZ-CD2 4.31Å; F112-W116 AromaticContact CZ-CE3 3.82Å; F112-W116 HydrophobicContact CZ-CE3 3.82Å; F112-W116 HydrophobicContact CZ-CZ3 4.34Å; F112-W116 WeakPolarHBondContact O-CB 3.38Å; F112-W116 PolarHBondContact O-N 3.34Å; Y114-W116 PolarHBondContact O-N 3.4Å; W116-N118 VanDerWaalsContact C-N 3.33Å; W116-I119 PolarHBondContact O-N 2.92Å; W116-K120 WeakPolarHBondContact O-CG 3.39Å; W116-K120 PolarHBondContact O-N 3.33Å
117	N	92	Very high	93.5	Very high	66 Å²	66	31.4 Å²	31.4	35%	0.353	15%	0.152	S	C	.	.	H	α-helix	trans	-65.5	-38.7	177.8	-75.5	-23	0	0	0	111.9	K113 Y114 L115 K120 K121	K113-N117 WeakPolarHBondContact O-CB 3.27Å; K113-N117 VanDerWaalsContact O-CG 3.27Å; K113-N117 PolarHBondContact O-N 3.46Å; K113-N117 PolarHBondContact O-ND2 3.15Å; Y114-N117 PolarHBondContact O-N 3.16Å; L115-N117 PolarHBondContact O-N 3.01Å; N117-K120 PolarHBondContact O-N 3.42Å; N117-K120 VanDerWaalsContact OD1-CE 3.22Å; N117-K120 WeakPolarHBondContact OD1-CE 3.49Å; N117-K120 PolarHBondContact OD1-NZ 3.47Å; N117-K121 WeakPolarHBondContact O-CB 3.27Å; N117-K121 PolarHBondContact O-N 3.05Å
118	N	94.8	Very high	93.5	Very high	7 Å²	7	34.1 Å²	34.1	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-65.6	-44.1	173.9	-77.1	-24.3	0	0	0	112.1	S26 Y114 L115 W116 K120 K121 W122	S26-N118 VanDerWaalsContact CB-OD1 3.23Å; S26-N118 WeakPolarHBondContact CB-OD1 3.43Å; S26-N118 PolarHBondContact OG-OD1 2.93Å; Y114-N118 WeakPolarHBondContact CE1-ND2 3.4Å; Y114-N118 PolarHBondContact O-N 3.49Å; Y114-N118 VanDerWaalsContact O-N 3.12Å; Y114-N118 PolarHBondContact OH-ND2 2.65Å; L115-N118 PolarHBondContact O-N 2.81Å; W116-N118 VanDerWaalsContact C-N 3.33Å; N118-K120 VanDerWaalsContact C-N 3.34Å; N118-K120 PolarHBondContact O-N 3.35Å; N118-K121 WeakPolarHBondContact O-CB 3.33Å; N118-K121 PolarHBondContact O-N 3.16Å; N118-K121 VanDerWaalsContact O-N 3.16Å; N118-W122 HydrophobicContact CB-CD2 4.22Å; N118-W122 HydrophobicContact CB-CE3 4Å; N118-W122 HydrophobicContact CB-CH2 3.67Å; N118-W122 HydrophobicContact CB-CZ2 3.88Å; N118-W122 HydrophobicContact CB-CZ3 3.71Å; N118-W122 WeakPolarHBondContact O-CB 3.37Å; N118-W122 VanDerWaalsContact O-CD2 3.23Å; N118-W122 PolarHBondContact O-N 3.39Å
119	I	94.2	Very high	93.6	Very high	9 Å²	9	35.6 Å²	35.6	5%	0.046	18%	0.175	C	C	.	.	H	α-helix	trans	-58	-45.9	175.6	-69	176.6	0	0	0	110.8	L72 L115 W116 K121 W122 Q123 I178	L72-I119 HydrophobicContact CD1-CD1 4.35Å; L72-I119 HydrophobicContact CD2-CD1 3.71Å; L72-I119 HydrophobicContact CD2-CG2 4.25Å; L115-I119 HydrophobicContact CD1-CD1 3.82Å; L115-I119 HydrophobicContact CD1-CG1 4.11Å; L115-I119 HydrophobicContact CG-CD1 3.88Å; L115-I119 HydrophobicContact CG-CG1 4.47Å; L115-I119 WeakPolarHBondContact O-CG1 3.46Å; L115-I119 PolarHBondContact O-N 2.86Å; W116-I119 PolarHBondContact O-N 2.92Å; I119-K121 PolarHBondContact O-N 3.39Å; I119-W122 PolarHBondContact O-N 2.98Å; I119-Q123 VanDerWaalsContact O-CB 3.27Å; I119-Q123 WeakPolarHBondContact O-CB 3.46Å; I119-Q123 PolarHBondContact O-N 3.09Å; I119-I178 HydrophobicContact CD1-CG2 4.22Å; I119-I178 HydrophobicContact CG1-CG2 3.87Å; I119-I178 HydrophobicContact CG2-CD1 4.4Å
120	K	92.3	Very high	93.8	Very high	88 Å²	88	35.6 Å²	35.6	38%	0.383	18%	0.176	S	C	.	.	H	α-helix	trans	-60.1	-44.5	175.2	-73.2	-175.6	-62.4	179.2	0	112.5	W116 N117 N118 Q123 N124	W116-K120 WeakPolarHBondContact O-CG 3.39Å; W116-K120 PolarHBondContact O-N 3.33Å; N117-K120 PolarHBondContact O-N 3.42Å; N117-K120 VanDerWaalsContact OD1-CE 3.22Å; N117-K120 WeakPolarHBondContact OD1-CE 3.49Å; N117-K120 PolarHBondContact OD1-NZ 3.47Å; N118-K120 VanDerWaalsContact C-N 3.34Å; N118-K120 PolarHBondContact O-N 3.35Å; K120-Q123 PolarHBondContact O-N 3.16Å; K120-N124 PolarHBondContact O-N 3.17Å; K120-N124 VanDerWaalsContact O-N 3.15Å; K120-N124 PolarHBondContact O-ND2 2.73Å
121	K	95.4	Very high	93.9	Very high	80 Å²	80	40.7 Å²	40.7	35%	0.348	20%	0.198	S	C	.	.	H	α-helix	trans	-59.7	-49.9	177.4	176.9	-171.3	171.4	-167.9	0	110.6	N117 N118 I119 N124 I125 A149	N117-K121 WeakPolarHBondContact O-CB 3.27Å; N117-K121 PolarHBondContact O-N 3.05Å; N118-K121 WeakPolarHBondContact O-CB 3.33Å; N118-K121 PolarHBondContact O-N 3.16Å; N118-K121 VanDerWaalsContact O-N 3.16Å; I119-K121 PolarHBondContact O-N 3.39Å; K121-N124 PolarHBondContact O-N 3.29Å; K121-I125 HydrophobicContact CG-CD1 4.16Å; K121-I125 WeakPolarHBondContact O-CG1 3.28Å; K121-I125 PolarHBondContact O-N 3.36Å; K121-I125 VanDerWaalsContact O-N 3.11Å; K121-A149 PolarHBondContact NZ-O 2.91Å
122	W	96.5	Very high	93.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70.2	-32	-178.1	-60.9	-34.4	0	0	0	112.7	N118 I119 N124 I125 Y126 F151 F177 I178 L181 V182 D185	N118-W122 HydrophobicContact CB-CD2 4.22Å; N118-W122 HydrophobicContact CB-CE3 4Å; N118-W122 HydrophobicContact CB-CH2 3.67Å; N118-W122 HydrophobicContact CB-CZ2 3.88Å; N118-W122 HydrophobicContact CB-CZ3 3.71Å; N118-W122 WeakPolarHBondContact O-CB 3.37Å; N118-W122 VanDerWaalsContact O-CD2 3.23Å; N118-W122 PolarHBondContact O-N 3.39Å; I119-W122 PolarHBondContact O-N 2.98Å; W122-N124 PolarHBondContact O-N 2.91Å; W122-I125 PolarHBondContact O-N 3.4Å; W122-Y126 WeakPolarHBondContact O-CB 3.18Å; W122-Y126 PolarHBondContact O-N 2.57Å; W122-F151 HydrophobicContact CZ2-CE2 4.33Å; W122-F177 HydrophobicContact CB-CE1 4.19Å; W122-I178 HydrophobicContact CB-CD1 3.69Å; W122-I178 HydrophobicContact CE3-CD1 4.44Å; W122-L181 HydrophobicContact CB-CD1 3.82Å; W122-L181 HydrophobicContact CD2-CB 3.78Å; W122-L181 HydrophobicContact CD2-CD1 3.85Å; W122-L181 HydrophobicContact CD2-CG 4.46Å; W122-L181 HydrophobicContact CE3-CB 3.78Å; W122-L181 HydrophobicContact CE3-CD1 4.48Å; W122-L181 HydrophobicContact CG-CB 4.37Å; W122-L181 HydrophobicContact CG-CD1 3.53Å; W122-L181 HydrophobicContact CH2-CB 4.08Å; W122-L181 WeakPolarHBondContact CH2-O 3.22Å; W122-L181 HydrophobicContact CZ2-CB 4.08Å; W122-L181 HydrophobicContact CZ3-CB 3.94Å; W122-V182 HydrophobicContact CH2-CG2 4.4Å; W122-V182 HydrophobicContact CZ3-CB 4.36Å; W122-V182 HydrophobicContact CZ3-CG2 3.62Å; W122-D185 HydrophobicContact CH2-CB 3.92Å; W122-D185 HydrophobicContact CZ2-CB 4.04Å
123	Q	93.8	Very high	93.7	Very high	22 Å²	22	56.1 Å²	56.1	10%	0.103	26%	0.263	C	S	.	.	H	α-helix	trans	-59.3	-45.2	169.9	-177.2	-172.3	-3	0	0	111.8	H79 I119 K120 I125 Y126 L127 F174	H79-Q123 PolarHBondContact CE1-NE2 2.72Å; H79-Q123 PolarHBondContact NE2-NE2 2.81Å; I119-Q123 VanDerWaalsContact O-CB 3.27Å; I119-Q123 WeakPolarHBondContact O-CB 3.46Å; I119-Q123 PolarHBondContact O-N 3.09Å; K120-Q123 PolarHBondContact O-N 3.16Å; Q123-I125 VanDerWaalsContact C-N 3.29Å; Q123-I125 PolarHBondContact O-N 2.66Å; Q123-Y126 WeakPolarHBondContact O-CB 3.27Å; Q123-Y126 PolarHBondContact O-N 2.93Å; Q123-L127 HydrophobicContact CG-CD1 4.21Å; Q123-L127 WeakPolarHBondContact O-CG 3.45Å; Q123-L127 PolarHBondContact O-N 3.12Å; Q123-F174 HydrophobicContact CB-CE2 3.96Å; Q123-F174 HydrophobicContact CB-CZ 4.05Å; Q123-F174 HydrophobicContact CG-CE2 3.87Å; Q123-F174 HydrophobicContact CG-CZ 3.94Å
124	N	94.1	Very high	93.8	Very high	106 Å²	106	55.2 Å²	55.2	57%	0.567	26%	0.264	S	S	*	.	H	α-helix	trans	-64.3	-35.8	176.1	-68.7	-27.7	0	0	0	112.1	K120 K121 W122 S128	K120-N124 PolarHBondContact O-N 3.17Å; K120-N124 VanDerWaalsContact O-N 3.15Å; K120-N124 PolarHBondContact O-ND2 2.73Å; K121-N124 PolarHBondContact O-N 3.29Å; W122-N124 PolarHBondContact O-N 2.91Å; N124-S128 WeakPolarHBondContact O-CB 3.21Å; N124-S128 PolarHBondContact O-N 3.45Å; N124-S128 VanDerWaalsContact O-N 3.11Å; N124-S128 PolarHBondContact O-OG 2.9Å
125	I	96.4	Very high	93.8	Very high	17 Å²	17	54.5 Å²	54.5	9%	0.087	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-48.5	175.3	-70.6	163.5	0	0	0	110.4	K121 W122 Q123 L127 S128 H129 A145 A148 A149 F177	K121-I125 HydrophobicContact CG-CD1 4.16Å; K121-I125 WeakPolarHBondContact O-CG1 3.28Å; K121-I125 PolarHBondContact O-N 3.36Å; K121-I125 VanDerWaalsContact O-N 3.11Å; W122-I125 PolarHBondContact O-N 3.4Å; Q123-I125 VanDerWaalsContact C-N 3.29Å; Q123-I125 PolarHBondContact O-N 2.66Å; I125-L127 PolarHBondContact O-N 3.39Å; I125-S128 WeakPolarHBondContact CA-OG 3.34Å; I125-S128 PolarHBondContact O-N 3.16Å; I125-S128 VanDerWaalsContact O-N 3.15Å; I125-S128 PolarHBondContact O-OG 2.91Å; I125-H129 WeakPolarHBondContact O-CB 3.35Å; I125-H129 PolarHBondContact O-N 2.86Å; I125-H129 PolarHBondContact O-ND1 3.23Å; I125-A145 HydrophobicContact CG2-CB 4.14Å; I125-A145 WeakPolarHBondContact CG2-O 3.42Å; I125-A148 HydrophobicContact CD1-CB 4.46Å; I125-A148 HydrophobicContact CG1-CB 4.41Å; I125-A148 HydrophobicContact CG2-CB 4.17Å; I125-A149 HydrophobicContact CD1-CB 4.06Å; I125-F177 HydrophobicContact CG2-CZ 4.29Å
126	Y	95.2	Very high	93.8	Very high	1 Å²	1	55 Å²	55	0%	0.004	27%	0.266	C	S	.	.	H	α-helix	trans	-52.9	-54.6	176.9	-171.9	-84.5	0	0	0	111.1	L82 W122 Q123 S128 H129 D130 G135 T136 I137 M172 D173 F174 F177	L82-Y126 HydrophobicContact CD2-CD1 3.7Å; L82-Y126 HydrophobicContact CD2-CE1 3.75Å; W122-Y126 WeakPolarHBondContact O-CB 3.18Å; W122-Y126 PolarHBondContact O-N 2.57Å; Q123-Y126 WeakPolarHBondContact O-CB 3.27Å; Q123-Y126 PolarHBondContact O-N 2.93Å; Y126-S128 VanDerWaalsContact C-N 3.25Å; Y126-S128 PolarHBondContact O-N 3.41Å; Y126-H129 PolarHBondContact O-N 3.36Å; Y126-D130 PolarHBondContact O-N 3.41Å; Y126-G135 PolarHBondContact OH-O 2.78Å; Y126-T136 VanDerWaalsContact OH-CA 3.27Å; Y126-T136 WeakPolarHBondContact OH-CA 3.46Å; Y126-I137 HydrophobicContact CD2-CD1 4.34Å; Y126-I137 HydrophobicContact CD2-CG1 3.49Å; Y126-I137 VanDerWaalsContact CD2-CG1 3.49Å; Y126-I137 HydrophobicContact CE2-CB 4.36Å; Y126-I137 HydrophobicContact CE2-CG1 3.55Å; Y126-I137 HydrophobicContact CG-CG1 4.15Å; Y126-M172 PolarHBondContact OH-O 3.34Å; Y126-D173 WeakPolarHBondContact OH-CA 3.5Å; Y126-F174 HydrophobicContact CD1-CD2 4.02Å; Y126-F174 HydrophobicContact CD2-CD2 4.12Å; Y126-F174 HydrophobicContact CE1-CB 4.32Å; Y126-F174 HydrophobicContact CE1-CD2 4.26Å; Y126-F174 HydrophobicContact CE2-CB 4.26Å; Y126-F174 HydrophobicContact CE2-CD2 4.32Å; Y126-F174 AromaticContact CG-CD2 3.93Å; Y126-F174 HydrophobicContact CG-CD2 3.93Å; Y126-F174 PolarHBondContact OH-N 3.38Å; Y126-F177 HydrophobicContact CD2-CB 3.84Å; Y126-F177 AromaticContact CD2-CD1 3.58Å; Y126-F177 HydrophobicContact CD2-CD1 3.58Å; Y126-F177 HydrophobicContact CD2-CD2 4.05Å; Y126-F177 HydrophobicContact CD2-CE1 4.06Å; Y126-F177 HydrophobicContact CD2-CE2 4.49Å; Y126-F177 AromaticContact CD2-CG 3.56Å; Y126-F177 HydrophobicContact CD2-CG 3.56Å; Y126-F177 HydrophobicContact CD2-CZ 4.49Å; Y126-F177 HydrophobicContact CE2-CB 3.85Å; Y126-F177 HydrophobicContact CE2-CD1 4.45Å; Y126-F177 HydrophobicContact CE2-CG 4.06Å; Y126-F177 HydrophobicContact CG-CD1 4.36Å
127	L	92.9	Very high	94	Very high	76 Å²	76	53.4 Å²	53.4	40%	0.398	26%	0.26	S	S	.	.	H	α-helix	trans	-63.3	-27.1	-179.3	-69.7	173.3	0	0	0	114	L82 Q123 I125	L82-L127 HydrophobicContact CD2-CD2 3.55Å; L82-L127 HydrophobicContact CD2-CG 4.19Å; L82-L127 HydrophobicContact CG-CD2 4.43Å; Q123-L127 HydrophobicContact CG-CD1 4.21Å; Q123-L127 WeakPolarHBondContact O-CG 3.45Å; Q123-L127 PolarHBondContact O-N 3.12Å; I125-L127 PolarHBondContact O-N 3.39Å
128	S	94.7	Very high	94.1	Very high	57 Å²	57	50.7 Å²	50.7	40%	0.399	25%	0.247	S	C	.	.	H	α-helix	trans	-90.1	-16.9	-179.8	57.5	0	0	0	0	113.8	N124 I125 Y126 K131	N124-S128 WeakPolarHBondContact O-CB 3.21Å; N124-S128 PolarHBondContact O-N 3.45Å; N124-S128 VanDerWaalsContact O-N 3.11Å; N124-S128 PolarHBondContact O-OG 2.9Å; I125-S128 WeakPolarHBondContact CA-OG 3.34Å; I125-S128 PolarHBondContact O-N 3.16Å; I125-S128 VanDerWaalsContact O-N 3.15Å; I125-S128 PolarHBondContact O-OG 2.91Å; Y126-S128 VanDerWaalsContact C-N 3.25Å; Y126-S128 PolarHBondContact O-N 3.41Å; S128-K131 PolarHBondContact O-NZ 3.47Å
129	H	95.4	Very high	93.8	Very high	41 Å²	41	52.9 Å²	52.9	19%	0.19	26%	0.264	C	S	.	.	H	α-helix	trans	-108.3	-12.4	-176.4	-70.4	74.4	0	0	0	114.1	I125 Y126 K131 I137 E141 A145	I125-H129 WeakPolarHBondContact O-CB 3.35Å; I125-H129 PolarHBondContact O-N 2.86Å; I125-H129 PolarHBondContact O-ND1 3.23Å; Y126-H129 PolarHBondContact O-N 3.36Å; H129-K131 VanDerWaalsContact C-N 3.3Å; H129-K131 PolarHBondContact O-N 3.37Å; H129-I137 HydrophobicContact CB-CD1 4.1Å; H129-E141 VanDerWaalsContact O-CD 3.29Å; H129-A145 HydrophobicContact CB-CB 3.96Å
130	D	93.7	Very high	93.7	Very high	21 Å²	21	63.6 Å²	63.6	11%	0.112	30%	0.303	C	S	.	.			trans	-69.4	85.7	160.4	175.7	11.9	0	0	0	109.1	Y126 D132 R133 S134 G135 I137	Y126-D130 PolarHBondContact O-N 3.41Å; D130-D132 VanDerWaalsContact OD1-OD1 3.05Å; D130-R133 WeakPolarHBondContact OD1-CA 3.29Å; D130-R133 PolarHBondContact OD1-N 2.93Å; D130-R133 WeakPolarHBondContact OD2-CA 3.48Å; D130-S134 PolarHBondContact OD1-N 3.3Å; D130-S134 PolarHBondContact OD1-OG 2.84Å; D130-G135 WeakPolarHBondContact OD2-CA 3.22Å; D130-G135 PolarHBondContact OD2-N 2.97Å; D130-I137 HydrophobicContact CB-CD1 4.2Å
131	K	92.3	Very high	93.8	Very high	150 Å²	150	60.5 Å²	60.5	65%	0.652	29%	0.29	S	S	*	.	S	Bend	trans	-80.1	-35.1	-173.2	-67.3	-53.1	-172.6	-164.9	0	111.8	S128 H129 R133 E141	S128-K131 PolarHBondContact O-NZ 3.47Å; H129-K131 VanDerWaalsContact C-N 3.3Å; H129-K131 PolarHBondContact O-N 3.37Å; K131-R133 VanDerWaalsContact C-N 3.26Å; K131-E141 PolarHBondContact N-OE1 3.39Å
132	D	91.8	Very high	93.8	Very high	108 Å²	108	56.7 Å²	56.7	58%	0.578	27%	0.274	S	S	*	.	S	Bend	trans	-82.3	-6.1	178.2	70	4.9	0	0	0	113.2	D130 S134 E141	D130-D132 VanDerWaalsContact OD1-OD1 3.05Å; D132-S134 PolarHBondContact O-N 3.3Å; D132-S134 WeakPolarHBondContact OD1-CB 3.11Å; D132-S134 PolarHBondContact OD1-N 2.99Å; D132-S134 PolarHBondContact OD1-OG 3.02Å; D132-E141 PolarHBondContact N-OE1 3.22Å
133	R	91.1	Very high	93.7	Very high	221 Å²	221	58.7 Å²	58.7	83%	0.834	29%	0.287	S	S	*	.			trans	60.5	32.5	-179.2	-54.3	-179.5	179.8	177.1	-0.4	111.7	D130 K131 G135	D130-R133 WeakPolarHBondContact OD1-CA 3.29Å; D130-R133 PolarHBondContact OD1-N 2.93Å; D130-R133 WeakPolarHBondContact OD2-CA 3.48Å; K131-R133 VanDerWaalsContact C-N 3.26Å; R133-G135 PolarHBondContact O-N 2.82Å
134	S	92.3	Very high	93.8	Very high	32 Å²	32	63.1 Å²	63.1	22%	0.224	31%	0.307	C	S	.	.			trans	-67.1	-18.7	175	59.7	0	0	0	0	112	K83 D130 D132 T136	K83-S134 VanDerWaalsContact CD-O 3.26Å; K83-S134 WeakPolarHBondContact CD-O 3.35Å; K83-S134 WeakPolarHBondContact CE-O 3.49Å; K83-S134 PolarHBondContact NZ-O 3.5Å; D130-S134 PolarHBondContact OD1-N 3.3Å; D130-S134 PolarHBondContact OD1-OG 2.84Å; D132-S134 PolarHBondContact O-N 3.3Å; D132-S134 WeakPolarHBondContact OD1-CB 3.11Å; D132-S134 PolarHBondContact OD1-N 2.99Å; D132-S134 PolarHBondContact OD1-OG 3.02Å; S134-T136 VanDerWaalsContact C-N 3.26Å; S134-T136 WeakPolarHBondContact CB-OG1 3.46Å; S134-T136 PolarHBondContact OG-N 3.34Å; S134-T136 PolarHBondContact OG-O 3.04Å; S134-T136 VanDerWaalsContact OG-O 3.09Å; S134-T136 PolarHBondContact OG-OG1 3.44Å
135	G	92.1	Very high	93.9	Very high	6 Å²	6	58.1 Å²	58.1	6%	0.062	28%	0.28	C	S	.	.	S	Bend	trans	82.9	3.4	-171	0	0	0	0	0	112.9	K83 Y126 D130 R133	K83-G135 WeakPolarHBondContact CB-O 3.37Å; K83-G135 PolarHBondContact N-O 2.83Å; Y126-G135 PolarHBondContact OH-O 2.78Å; D130-G135 WeakPolarHBondContact OD2-CA 3.22Å; D130-G135 PolarHBondContact OD2-N 2.97Å; R133-G135 PolarHBondContact O-N 2.82Å
136	T	95.7	Very high	93.8	Very high	13 Å²	13	57.3 Å²	57.3	8%	0.08	28%	0.276	C	S	.	.	S	Bend	trans	-129.3	160.8	-176.7	38.7	0	0	0	0	110.2	K83 Y126 S134 D171 M172 D173	K83-T136 HydrophobicContact CB-CG2 4.14Å; K83-T136 HydrophobicContact CD-CG2 3.96Å; Y126-T136 VanDerWaalsContact OH-CA 3.27Å; Y126-T136 WeakPolarHBondContact OH-CA 3.46Å; S134-T136 VanDerWaalsContact C-N 3.26Å; S134-T136 WeakPolarHBondContact CB-OG1 3.46Å; S134-T136 PolarHBondContact OG-N 3.34Å; S134-T136 PolarHBondContact OG-O 3.04Å; S134-T136 VanDerWaalsContact OG-O 3.09Å; S134-T136 PolarHBondContact OG-OG1 3.44Å; T136-D171 HydrophobicContact CG2-CB 4.32Å; T136-M172 WeakPolarHBondContact CA-O 3.28Å; T136-D173 HydrophobicContact CG2-CB 4.29Å
137	I	97.3	Very high	93.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	109.5	169.6	-66.4	-66.5	0	0	0	108.6	Y126 H129 D130 E141 L142 A145 M172 F177	Y126-I137 HydrophobicContact CD2-CD1 4.34Å; Y126-I137 HydrophobicContact CD2-CG1 3.49Å; Y126-I137 VanDerWaalsContact CD2-CG1 3.49Å; Y126-I137 HydrophobicContact CE2-CB 4.36Å; Y126-I137 HydrophobicContact CE2-CG1 3.55Å; Y126-I137 HydrophobicContact CG-CG1 4.15Å; H129-I137 HydrophobicContact CB-CD1 4.1Å; D130-I137 HydrophobicContact CB-CD1 4.2Å; I137-E141 HydrophobicContact CG2-CB 4.05Å; I137-L142 HydrophobicContact CG2-CB 4.03Å; I137-L142 HydrophobicContact CG2-CD1 3.83Å; I137-A145 HydrophobicContact CG2-CB 4.47Å; I137-M172 PolarHBondContact N-O 2.95Å; I137-M172 PolarHBondContact O-N 2.82Å; I137-F177 HydrophobicContact CG1-CD2 4.3Å; I137-F177 HydrophobicContact CG1-CE2 4.36Å
138	G	94.7	Very high	93.9	Very high	9 Å²	9	61.8 Å²	61.8	9%	0.093	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	166.2	178.6	0	0	0	0	0	113	R140 E141 L142 D171	G138-R140 PolarHBondContact O-N 3.05Å; G138-E141 PolarHBondContact N-OE2 2.98Å; G138-E141 PolarHBondContact O-N 3.09Å; G138-L142 PolarHBondContact O-N 3.42Å; G138-D171 WeakPolarHBondContact CA-OD1 3.34Å
139	S	88.7	Confident	93.9	Very high	54 Å²	54	59.1 Å²	59.1	38%	0.378	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-24.5	-179.6	-67.1	0	0	0	0	114.9	P143 G170	S139-P143 WeakPolarHBondContact O-CD 3.32Å; S139-G170 PolarHBondContact N-O 3.42Å; S139-G170 PolarHBondContact OG-O 3.27Å; S139-G170 VanDerWaalsContact OG-O 3.08Å
140	R	90.6	Very high	93.8	Very high	233 Å²	233	57.8 Å²	57.8	88%	0.879	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-24.3	176	-66.7	-179	-179.7	163.8	1.6	113.4	G138	G138-R140 PolarHBondContact O-N 3.05Å
141	E	95.6	Very high	93.7	Very high	23 Å²	23	56.8 Å²	56.8	11%	0.107	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-31.4	-177.8	-63.1	173	146.7	0	0	111.3	H129 K131 D132 I137 G138 H144 A145	H129-E141 VanDerWaalsContact O-CD 3.29Å; K131-E141 PolarHBondContact N-OE1 3.39Å; D132-E141 PolarHBondContact N-OE1 3.22Å; I137-E141 HydrophobicContact CG2-CB 4.05Å; G138-E141 PolarHBondContact N-OE2 2.98Å; G138-E141 PolarHBondContact O-N 3.09Å; E141-H144 PolarHBondContact O-N 2.63Å; E141-H144 VanDerWaalsContact O-N 3.16Å; E141-A145 PolarHBondContact O-N 3.32Å
142	L	94.6	Very high	93.4	Very high	1 Å²	1	52 Å²	52	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-50.1	-47.6	-176.9	-168.3	78.9	0	0	0	113.9	I137 G138 H144 A145 F146 Y158 I161 I162 M172	I137-L142 HydrophobicContact CG2-CB 4.03Å; I137-L142 HydrophobicContact CG2-CD1 3.83Å; G138-L142 PolarHBondContact O-N 3.42Å; L142-H144 VanDerWaalsContact C-N 3.34Å; L142-H144 PolarHBondContact O-N 3.01Å; L142-A145 PolarHBondContact O-N 3.22Å; L142-F146 HydrophobicContact CD1-CD2 3.69Å; L142-F146 HydrophobicContact CD1-CE2 3.3Å; L142-F146 HydrophobicContact CD1-CZ 4.18Å; L142-F146 HydrophobicContact CG-CD2 3.9Å; L142-F146 HydrophobicContact CG-CE2 3.94Å; L142-F146 WeakPolarHBondContact O-CB 3.2Å; L142-F146 WeakPolarHBondContact O-CD2 3.18Å; L142-F146 PolarHBondContact O-N 3.14Å; L142-Y158 HydrophobicContact CD2-CD1 4.05Å; L142-Y158 HydrophobicContact CG-CD1 4.43Å; L142-I161 HydrophobicContact CD2-CG2 4.12Å; L142-I162 HydrophobicContact CD2-CD1 3.98Å; L142-I162 HydrophobicContact CD2-CG1 3.48Å; L142-I162 VanDerWaalsContact CD2-CG1 3.48Å; L142-M172 HydrophobicContact CD1-CE 3.76Å; L142-M172 HydrophobicContact CD1-SD 3.97Å; L142-M172 HydrophobicContact CD2-CE 4.47Å
143	P	94.4	Very high	93.4	Very high	42 Å²	42	47.7 Å²	47.7	27%	0.273	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-42.3	-178.2	-23.8	36.2	0	0	0	112.6	S139 F146 Q147 Y158	S139-P143 WeakPolarHBondContact O-CD 3.32Å; P143-F146 PolarHBondContact O-N 3.5Å; P143-Q147 WeakPolarHBondContact O-CB 3.24Å; P143-Q147 PolarHBondContact O-N 3.47Å; P143-Y158 HydrophobicContact CB-CE1 4.38Å; P143-Y158 HydrophobicContact CB-CE2 3.98Å; P143-Y158 HydrophobicContact CG-CE2 4.4Å; P143-Y158 PolarHBondContact O-OH 2.97Å
144	H	95.2	Very high	93.3	Very high	115 Å²	115	38.8 Å²	38.8	53%	0.532	21%	0.207	S	C	.	.	H	α-helix	trans	-68.3	-41	178.7	-63.6	-56.5	0	0	0	111.8	E141 L142 Q147 A148	E141-H144 PolarHBondContact O-N 2.63Å; E141-H144 VanDerWaalsContact O-N 3.16Å; L142-H144 VanDerWaalsContact C-N 3.34Å; L142-H144 PolarHBondContact O-N 3.01Å; H144-Q147 PolarHBondContact O-N 3.41Å; H144-A148 WeakPolarHBondContact O-CB 3.36Å; H144-A148 PolarHBondContact O-N 3.33Å
145	A	96.7	Very high	93.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-61.9	-44.9	175.9	0	0	0	0	0	111.9	I125 H129 I137 E141 L142 A148 A149 F177	I125-A145 HydrophobicContact CG2-CB 4.14Å; I125-A145 WeakPolarHBondContact CG2-O 3.42Å; H129-A145 HydrophobicContact CB-CB 3.96Å; I137-A145 HydrophobicContact CG2-CB 4.47Å; E141-A145 PolarHBondContact O-N 3.32Å; L142-A145 PolarHBondContact O-N 3.22Å; A145-A148 PolarHBondContact O-N 3.14Å; A145-A149 WeakPolarHBondContact O-CB 2.99Å; A145-A149 PolarHBondContact O-N 3.43Å; A145-F177 HydrophobicContact CB-CE2 4.05Å; A145-F177 HydrophobicContact CB-CZ 4.23Å
146	F	95.8	Very high	93.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-68.7	-38.1	178.9	-88	-118.6	0	0	0	112.2	L142 P143 A149 G150 F151 L153 Y158 I161 F177 C180 L181 L184	L142-F146 HydrophobicContact CD1-CD2 3.69Å; L142-F146 HydrophobicContact CD1-CE2 3.3Å; L142-F146 HydrophobicContact CD1-CZ 4.18Å; L142-F146 HydrophobicContact CG-CD2 3.9Å; L142-F146 HydrophobicContact CG-CE2 3.94Å; L142-F146 WeakPolarHBondContact O-CB 3.2Å; L142-F146 WeakPolarHBondContact O-CD2 3.18Å; L142-F146 PolarHBondContact O-N 3.14Å; P143-F146 PolarHBondContact O-N 3.5Å; F146-A149 WeakPolarHBondContact O-CB 3.2Å; F146-A149 PolarHBondContact O-N 3.4Å; F146-G150 PolarHBondContact O-N 2.98Å; F146-F151 CarbonylContact C-O 3.47Å; F146-F151 CarbonylContact O-C 3.6Å; F146-F151 PolarHBondContact O-N 3.35Å; F146-L153 HydrophobicContact CD1-CD1 3.81Å; F146-L153 HydrophobicContact CE1-CD1 4.29Å; F146-Y158 HydrophobicContact CB-CE1 3.85Å; F146-Y158 HydrophobicContact CD1-CE1 4.34Å; F146-Y158 HydrophobicContact CG-CE1 4.08Å; F146-I161 HydrophobicContact CD1-CD1 4.35Å; F146-I161 HydrophobicContact CE1-CD1 3.78Å; F146-I161 HydrophobicContact CE1-CG2 4.41Å; F146-I161 HydrophobicContact CZ-CD1 4.49Å; F146-I161 HydrophobicContact CZ-CG2 4.07Å; F146-F177 HydrophobicContact CD2-CE2 4.15Å; F146-F177 HydrophobicContact CE2-CD2 4.06Å; F146-F177 AromaticContact CE2-CE2 3.76Å; F146-F177 HydrophobicContact CE2-CE2 3.76Å; F146-C180 HydrophobicContact CZ-CB 4.47Å; F146-L181 HydrophobicContact CD1-CD2 4.04Å; F146-L181 HydrophobicContact CE1-CD2 3.79Å; F146-L181 HydrophobicContact CE2-CD2 4.29Å; F146-L181 HydrophobicContact CG-CD2 4.41Å; F146-L181 HydrophobicContact CZ-CD2 3.93Å; F146-L181 HydrophobicContact CZ-CG 4.32Å; F146-L184 HydrophobicContact CD1-CD2 3.94Å; F146-L184 HydrophobicContact CE1-CD2 3.83Å
147	Q	94.1	Very high	93	Very high	123 Å²	123	49.6 Å²	49.6	58%	0.575	26%	0.257	S	S	*	.	H	α-helix	trans	-61.2	-45.1	172.8	-172.5	178.9	15.1	0	0	111.4	P143 H144 A149 G150	P143-Q147 WeakPolarHBondContact O-CB 3.24Å; P143-Q147 PolarHBondContact O-N 3.47Å; H144-Q147 PolarHBondContact O-N 3.41Å; Q147-A149 PolarHBondContact O-N 2.95Å; Q147-G150 PolarHBondContact O-N 3.35Å; Q147-G150 VanDerWaalsContact O-N 3.07Å
148	A	95.1	Very high	92.8	Very high	48 Å²	48	50.6 Å²	50.6	40%	0.397	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-30.1	175.4	0	0	0	0	0	112.7	I125 H144 A145 G150	I125-A148 HydrophobicContact CD1-CB 4.46Å; I125-A148 HydrophobicContact CG1-CB 4.41Å; I125-A148 HydrophobicContact CG2-CB 4.17Å; H144-A148 WeakPolarHBondContact O-CB 3.36Å; H144-A148 PolarHBondContact O-N 3.33Å; A145-A148 PolarHBondContact O-N 3.14Å; A148-G150 VanDerWaalsContact C-N 3.26Å; A148-G150 PolarHBondContact O-N 3Å
149	A	94.6	Very high	92.7	Very high	1 Å²	1	57 Å²	57	1%	0.008	29%	0.286	C	S	.	.	H	α-helix	trans	-71.6	-19.2	174.5	0	0	0	0	0	113.5	K121 I125 A145 F146 Q147 F151 L181	K121-A149 PolarHBondContact NZ-O 2.91Å; I125-A149 HydrophobicContact CD1-CB 4.06Å; A145-A149 WeakPolarHBondContact O-CB 2.99Å; A145-A149 PolarHBondContact O-N 3.43Å; F146-A149 WeakPolarHBondContact O-CB 3.2Å; F146-A149 PolarHBondContact O-N 3.4Å; Q147-A149 PolarHBondContact O-N 2.95Å; A149-F151 HydrophobicContact CB-CD2 3.91Å; A149-F151 HydrophobicContact CB-CE2 4.27Å; A149-L181 HydrophobicContact CB-CD1 4.16Å; A149-L181 HydrophobicContact CB-CD2 4.01Å
150	G	92.9	Very high	93	Very high	13 Å²	13	59.7 Å²	59.7	13%	0.134	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	108.9	12.2	-178.8	0	0	0	0	0	114.4	R24 F146 Q147 A148 P152	R24-G150 PolarHBondContact N-O 3.07Å; F146-G150 PolarHBondContact O-N 2.98Å; Q147-G150 PolarHBondContact O-N 3.35Å; Q147-G150 VanDerWaalsContact O-N 3.07Å; A148-G150 VanDerWaalsContact C-N 3.26Å; A148-G150 PolarHBondContact O-N 3Å; G150-P152 WeakPolarHBondContact O-CD 3.28Å
151	F	92.6	Very high	93.2	Very high	1 Å²	1	49.5 Å²	49.5	0%	0.004	26%	0.258	C	S	.	.			trans	-124	79.1	-173.8	-53.1	-71.1	0	0	0	111.6	W122 F146 A149 L153 L181 L184 D185 C188	W122-F151 HydrophobicContact CZ2-CE2 4.33Å; F146-F151 CarbonylContact C-O 3.47Å; F146-F151 CarbonylContact O-C 3.6Å; F146-F151 PolarHBondContact O-N 3.35Å; A149-F151 HydrophobicContact CB-CD2 3.91Å; A149-F151 HydrophobicContact CB-CE2 4.27Å; F151-L153 PolarHBondContact O-N 3.23Å; F151-L181 HydrophobicContact CD2-CD2 3.73Å; F151-L181 HydrophobicContact CE2-CD2 3.98Å; F151-L184 HydrophobicContact CB-CD2 3.69Å; F151-L184 HydrophobicContact CD1-CD2 3.99Å; F151-L184 HydrophobicContact CD1-CG 3.97Å; F151-L184 HydrophobicContact CD2-CD2 4.02Å; F151-L184 HydrophobicContact CE1-CG 4.32Å; F151-L184 HydrophobicContact CG-CD2 3.62Å; F151-L184 HydrophobicContact CG-CG 4.11Å; F151-D185 HydrophobicContact CE1-CB 4.5Å; F151-D185 HydrophobicContact CZ-CB 3.78Å; F151-C188 HydrophobicContact CE1-CB 4.4Å
152	P	85.8	Confident	93.1	Very high	48 Å²	48	50.1 Å²	50.1	31%	0.312	26%	0.262	S	S	.	.			trans	-71.2	105.8	169.7	29.3	-33.8	0	0	0	109.8	H22 F23 G150	H22-P152 HydrophobicContact CB-CG 3.94Å; F23-P152 WeakPolarHBondContact CE1-O 3.09Å; G150-P152 WeakPolarHBondContact O-CD 3.28Å
153	L	90.9	Very high	93.1	Very high	19 Å²	19	60.5 Å²	60.5	10%	0.099	30%	0.301	C	S	.	.			trans	-102.7	164	-179.6	-54.6	175.1	0	0	0	111	F23 F146 F151 L157 Y158 I161 L184	F23-L153 HydrophobicContact CE1-CD2 3.68Å; F23-L153 HydrophobicContact CZ-CD2 3.92Å; F146-L153 HydrophobicContact CD1-CD1 3.81Å; F146-L153 HydrophobicContact CE1-CD1 4.29Å; F151-L153 PolarHBondContact O-N 3.23Å; L153-L157 HydrophobicContact CB-CB 4.09Å; L153-L157 HydrophobicContact CB-CD1 4.38Å; L153-L157 HydrophobicContact CD1-CB 4.39Å; L153-L157 HydrophobicContact CD2-CD1 3.85Å; L153-Y158 HydrophobicContact CB-CD1 4.43Å; L153-Y158 HydrophobicContact CB-CD2 4.3Å; L153-Y158 HydrophobicContact CB-CE1 4.03Å; L153-Y158 HydrophobicContact CB-CE2 3.9Å; L153-Y158 HydrophobicContact CD1-CD1 4.37Å; L153-Y158 HydrophobicContact CD1-CE1 4.08Å; L153-Y158 HydrophobicContact CG-CE1 4.38Å; L153-Y158 PolarHBondContact N-OH 3.42Å; L153-Y158 WeakPolarHBondContact O-CE2 3.42Å; L153-I161 HydrophobicContact CD1-CD1 3.25Å; L153-L184 HydrophobicContact CD1-CD2 4.02Å; L153-L184 HydrophobicContact CD2-CD1 4.49Å; L153-L184 HydrophobicContact CD2-CD2 4.42Å
154	N	89.9	Confident	93.1	Very high	33 Å²	33	66.1 Å²	66.1	18%	0.176	32%	0.317	C	S	.	.			trans	-86.1	165.2	170.7	74.9	22.2	0	0	0	111.5	I18 Q156 L157 Y158	I18-N154 HydrophobicContact CD1-CB 4.39Å; I18-N154 WeakPolarHBondContact CD1-ND2 3.48Å; I18-N154 HydrophobicContact CG1-CB 4.12Å; I18-N154 WeakPolarHBondContact CG1-ND2 3.36Å; N154-Q156 PolarHBondContact O-N 2.9Å; N154-Q156 VanDerWaalsContact O-N 3.12Å; N154-Q156 WeakPolarHBondContact OD1-CB 3.5Å; N154-Q156 PolarHBondContact OD1-N 2.64Å; N154-Q156 VanDerWaalsContact OD1-N 3.12Å; N154-L157 PolarHBondContact O-N 3.06Å; N154-L157 VanDerWaalsContact O-N 3.15Å; N154-L157 PolarHBondContact OD1-N 2.79Å; N154-Y158 WeakPolarHBondContact O-CD2 3.48Å; N154-Y158 PolarHBondContact O-N 3.34Å; N154-Y158 VanDerWaalsContact O-N 3.07Å
155	D	90.4	Very high	93.1	Very high	122 Å²	122	62.3 Å²	62.3	65%	0.652	30%	0.298	S	S	*	.	H	α-helix	trans	-56.3	-31.1	-177.9	-68.2	-9.6	0	0	0	114	K159	D155-K159 VanDerWaalsContact O-CG 3.29Å; D155-K159 WeakPolarHBondContact O-CG 3.25Å; D155-K159 PolarHBondContact O-N 2.92Å; D155-K159 VanDerWaalsContact O-N 3.09Å
156	Q	90.5	Very high	93.1	Very high	101 Å²	101	63.3 Å²	63.3	47%	0.472	31%	0.305	S	S	.	.	H	α-helix	trans	-72.6	-42.2	-179.1	-67.1	176.6	-15.4	0	0	111.3	I14 N154 K159 L160	I14-Q156 PolarHBondContact O-OE1 3.39Å; N154-Q156 PolarHBondContact O-N 2.9Å; N154-Q156 VanDerWaalsContact O-N 3.12Å; N154-Q156 WeakPolarHBondContact OD1-CB 3.5Å; N154-Q156 PolarHBondContact OD1-N 2.64Å; N154-Q156 VanDerWaalsContact OD1-N 3.12Å; Q156-K159 PolarHBondContact O-N 3.06Å; Q156-L160 PolarHBondContact O-N 2.93Å; Q156-L160 VanDerWaalsContact O-N 3.13Å
157	L	92.4	Very high	93.1	Very high	56 Å²	56	67.2 Å²	67.2	29%	0.293	33%	0.326	S	S	.	.	H	α-helix	trans	-65.8	-40	173.8	-71.7	-170.8	0	0	0	111.7	I18 L153 N154 K159 L160 I161	I18-L157 HydrophobicContact CD1-CD1 3.2Å; I18-L157 HydrophobicContact CD1-CG 3.88Å; L153-L157 HydrophobicContact CB-CB 4.09Å; L153-L157 HydrophobicContact CB-CD1 4.38Å; L153-L157 HydrophobicContact CD1-CB 4.39Å; L153-L157 HydrophobicContact CD2-CD1 3.85Å; N154-L157 PolarHBondContact O-N 3.06Å; N154-L157 VanDerWaalsContact O-N 3.15Å; N154-L157 PolarHBondContact OD1-N 2.79Å; L157-K159 VanDerWaalsContact C-N 3.3Å; L157-K159 PolarHBondContact O-N 3.45Å; L157-L160 HydrophobicContact CD2-CD1 4.22Å; L157-L160 PolarHBondContact O-N 3.29Å; L157-L160 VanDerWaalsContact O-N 3.14Å; L157-I161 WeakPolarHBondContact O-CG1 3.17Å; L157-I161 PolarHBondContact O-N 3Å
158	Y	93.4	Very high	92.9	Very high	20 Å²	20	71 Å²	71	8%	0.078	34%	0.344	C	S	.	.	H	α-helix	trans	-58.3	-42.7	173.7	-75.6	-55.1	0	0	0	111.9	L142 P143 F146 L153 N154 L160 I161 I162	L142-Y158 HydrophobicContact CD2-CD1 4.05Å; L142-Y158 HydrophobicContact CG-CD1 4.43Å; P143-Y158 HydrophobicContact CB-CE1 4.38Å; P143-Y158 HydrophobicContact CB-CE2 3.98Å; P143-Y158 HydrophobicContact CG-CE2 4.4Å; P143-Y158 PolarHBondContact O-OH 2.97Å; F146-Y158 HydrophobicContact CB-CE1 3.85Å; F146-Y158 HydrophobicContact CD1-CE1 4.34Å; F146-Y158 HydrophobicContact CG-CE1 4.08Å; L153-Y158 HydrophobicContact CB-CD1 4.43Å; L153-Y158 HydrophobicContact CB-CD2 4.3Å; L153-Y158 HydrophobicContact CB-CE1 4.03Å; L153-Y158 HydrophobicContact CB-CE2 3.9Å; L153-Y158 HydrophobicContact CD1-CD1 4.37Å; L153-Y158 HydrophobicContact CD1-CE1 4.08Å; L153-Y158 HydrophobicContact CG-CE1 4.38Å; L153-Y158 PolarHBondContact N-OH 3.42Å; L153-Y158 WeakPolarHBondContact O-CE2 3.42Å; N154-Y158 WeakPolarHBondContact O-CD2 3.48Å; N154-Y158 PolarHBondContact O-N 3.34Å; N154-Y158 VanDerWaalsContact O-N 3.07Å; Y158-L160 VanDerWaalsContact C-N 3.33Å; Y158-L160 PolarHBondContact O-N 3.39Å; Y158-I161 PolarHBondContact O-N 3.19Å; Y158-I162 WeakPolarHBondContact O-CB 3.19Å; Y158-I162 VanDerWaalsContact O-CG1 3.26Å; Y158-I162 WeakPolarHBondContact O-CG1 3.37Å; Y158-I162 PolarHBondContact O-N 3.46Å
159	K	92.5	Very high	92.7	Very high	145 Å²	145	74.9 Å²	74.9	63%	0.63	36%	0.357	S	S	*	.	H	α-helix	trans	-60.9	-39.3	175.3	-73.9	169	-176.3	174.6	0	112.9	D155 Q156 L157 R163	D155-K159 VanDerWaalsContact O-CG 3.29Å; D155-K159 WeakPolarHBondContact O-CG 3.25Å; D155-K159 PolarHBondContact O-N 2.92Å; D155-K159 VanDerWaalsContact O-N 3.09Å; Q156-K159 PolarHBondContact O-N 3.06Å; L157-K159 VanDerWaalsContact C-N 3.3Å; L157-K159 PolarHBondContact O-N 3.45Å; K159-R163 VanDerWaalsContact O-CB 3.31Å; K159-R163 WeakPolarHBondContact O-CB 3.42Å; K159-R163 PolarHBondContact O-N 3.15Å
160	L	94.1	Very high	92.7	Very high	110 Å²	110	75.2 Å²	75.2	58%	0.576	36%	0.361	S	S	*	.	H	α-helix	trans	-67.2	-42.5	176.4	-69.5	176.3	0	0	0	111.8	Q156 L157 Y158 R163 R164	Q156-L160 PolarHBondContact O-N 2.93Å; Q156-L160 VanDerWaalsContact O-N 3.13Å; L157-L160 HydrophobicContact CD2-CD1 4.22Å; L157-L160 PolarHBondContact O-N 3.29Å; L157-L160 VanDerWaalsContact O-N 3.14Å; Y158-L160 VanDerWaalsContact C-N 3.33Å; Y158-L160 PolarHBondContact O-N 3.39Å; L160-R163 PolarHBondContact O-N 2.82Å; L160-R164 WeakPolarHBondContact O-CB 3.39Å; L160-R164 PolarHBondContact O-N 3.48Å; L160-R164 VanDerWaalsContact O-N 3.08Å
161	I	94.9	Very high	92.8	Very high	19 Å²	19	77 Å²	77	10%	0.097	37%	0.368	C	S	.	.	H	α-helix	trans	-62.1	-51.2	177.4	-73.5	167.5	0	0	0	110.4	L142 F146 L153 L157 Y158 R163 R164 Y165 M172	L142-I161 HydrophobicContact CD2-CG2 4.12Å; F146-I161 HydrophobicContact CD1-CD1 4.35Å; F146-I161 HydrophobicContact CE1-CD1 3.78Å; F146-I161 HydrophobicContact CE1-CG2 4.41Å; F146-I161 HydrophobicContact CZ-CD1 4.49Å; F146-I161 HydrophobicContact CZ-CG2 4.07Å; L153-I161 HydrophobicContact CD1-CD1 3.25Å; L157-I161 WeakPolarHBondContact O-CG1 3.17Å; L157-I161 PolarHBondContact O-N 3Å; Y158-I161 PolarHBondContact O-N 3.19Å; I161-R163 VanDerWaalsContact C-N 3.33Å; I161-R163 PolarHBondContact O-N 3.39Å; I161-R164 PolarHBondContact O-N 3.44Å; I161-R164 VanDerWaalsContact O-N 3.09Å; I161-Y165 HydrophobicContact CG2-CD2 4.34Å; I161-Y165 WeakPolarHBondContact O-CB 3.41Å; I161-Y165 PolarHBondContact O-N 2.95Å; I161-M172 HydrophobicContact CG2-CE 3.67Å
162	I	94.4	Very high	93	Very high	36 Å²	36	77 Å²	77	19%	0.185	37%	0.367	C	S	.	.	H	α-helix	trans	-56.5	-49	178.1	-67.9	163.5	0	0	0	109.9	L142 Y158 R164 Y165 S166	L142-I162 HydrophobicContact CD2-CD1 3.98Å; L142-I162 HydrophobicContact CD2-CG1 3.48Å; L142-I162 VanDerWaalsContact CD2-CG1 3.48Å; Y158-I162 WeakPolarHBondContact O-CB 3.19Å; Y158-I162 VanDerWaalsContact O-CG1 3.26Å; Y158-I162 WeakPolarHBondContact O-CG1 3.37Å; Y158-I162 PolarHBondContact O-N 3.46Å; I162-R164 PolarHBondContact O-N 3.14Å; I162-Y165 PolarHBondContact O-N 3.12Å; I162-S166 WeakPolarHBondContact O-CA 3.44Å; I162-S166 WeakPolarHBondContact O-CB 3.22Å; I162-S166 PolarHBondContact O-N 2.87Å; I162-S166 PolarHBondContact O-OG 3.46Å
163	R	94.6	Very high	93.5	Very high	219 Å²	219	76.1 Å²	76.1	83%	0.826	36%	0.36	S	S	*	.	H	α-helix	trans	-61.2	-29.2	-179.9	-179.6	175.3	168.6	-175.8	-3.3	113.7	K159 L160 I161	K159-R163 VanDerWaalsContact O-CB 3.31Å; K159-R163 WeakPolarHBondContact O-CB 3.42Å; K159-R163 PolarHBondContact O-N 3.15Å; L160-R163 PolarHBondContact O-N 2.82Å; I161-R163 VanDerWaalsContact C-N 3.33Å; I161-R163 PolarHBondContact O-N 3.39Å
164	R	94.9	Very high	93.7	Very high	160 Å²	160	75.5 Å²	75.5	60%	0.604	36%	0.357	S	S	*	.	H	α-helix	trans	-92.8	-32.6	-175.9	176.3	58.2	-174.4	79.9	-0.2	113.3	L160 I161 I162	L160-R164 WeakPolarHBondContact O-CB 3.39Å; L160-R164 PolarHBondContact O-N 3.48Å; L160-R164 VanDerWaalsContact O-N 3.08Å; I161-R164 PolarHBondContact O-N 3.44Å; I161-R164 VanDerWaalsContact O-N 3.09Å; I162-R164 PolarHBondContact O-N 3.14Å
165	Y	95.6	Very high	94	Very high	34 Å²	34	74.2 Å²	74.2	13%	0.133	35%	0.35	C	S	.	.	H	α-helix	trans	-122.2	-7.1	-166.6	-68.7	-81	0	0	0	114	I161 I162 N176 C180 R183	I161-Y165 HydrophobicContact CG2-CD2 4.34Å; I161-Y165 WeakPolarHBondContact O-CB 3.41Å; I161-Y165 PolarHBondContact O-N 2.95Å; I162-Y165 PolarHBondContact O-N 3.12Å; Y165-N176 HydrophobicContact CD1-CB 4.34Å; Y165-N176 VanDerWaalsContact O-CB 3.24Å; Y165-N176 WeakPolarHBondContact O-CB 3.37Å; Y165-C180 HydrophobicContact CD1-CB 3.86Å; Y165-C180 HydrophobicContact CD2-CB 3.95Å; Y165-C180 HydrophobicContact CE1-CB 3.9Å; Y165-C180 HydrophobicContact CE2-CB 4Å; Y165-C180 HydrophobicContact CG-CB 3.88Å; Y165-R183 WeakPolarHBondContact OH-CD 3.42Å
166	S	96	Very high	94.3	Very high	22 Å²	22	70.5 Å²	70.5	15%	0.154	33%	0.33	C	S	.	.	S	Bend	trans	-104.8	161	175.7	-56.2	0	0	0	0	111.6	I162 D171	I162-S166 WeakPolarHBondContact O-CA 3.44Å; I162-S166 WeakPolarHBondContact O-CB 3.22Å; I162-S166 PolarHBondContact O-N 2.87Å; I162-S166 PolarHBondContact O-OG 3.46Å; S166-D171 WeakPolarHBondContact CA-O 3.49Å; S166-D171 WeakPolarHBondContact CB-O 3.5Å
167	D	94.4	Very high	94.6	Very high	81 Å²	81	65.7 Å²	65.7	43%	0.433	31%	0.308	S	S	.	.			trans	-72.2	-175.6	171.3	78.6	-5.6	0	0	0	112.5	N169 G170 D171	D167-N169 PolarHBondContact O-N 2.98Å; D167-N169 WeakPolarHBondContact OD1-CA 3.19Å; D167-N169 WeakPolarHBondContact OD1-CB 3.45Å; D167-N169 PolarHBondContact OD1-N 2.91Å; D167-N169 PolarHBondContact OD2-ND2 3.3Å; D167-N169 VanDerWaalsContact OD2-ND2 3.15Å; D167-G170 PolarHBondContact O-N 3.5Å; D167-G170 PolarHBondContact OD1-N 3.37Å; D167-D171 PolarHBondContact N-O 2.65Å; D167-D171 PolarHBondContact OD1-N 3.03Å
168	E	91.3	Very high	94.8	Very high	204 Å²	204	63 Å²	63	95%	0.953	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21	179.1	-62.4	-175	168.8	0	0	113.8	G170	E168-G170 VanDerWaalsContact C-N 3.35Å
169	N	91.1	Very high	94.9	Very high	128 Å²	128	62.9 Å²	62.9	68%	0.684	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-8.3	177.1	-54.2	-60.2	0	0	0	112.2	D167	D167-N169 PolarHBondContact O-N 2.98Å; D167-N169 WeakPolarHBondContact OD1-CA 3.19Å; D167-N169 WeakPolarHBondContact OD1-CB 3.45Å; D167-N169 PolarHBondContact OD1-N 2.91Å; D167-N169 PolarHBondContact OD2-ND2 3.3Å; D167-N169 VanDerWaalsContact OD2-ND2 3.15Å
170	G	93	Very high	95	Very high	8 Å²	8	56.2 Å²	56.2	8%	0.082	27%	0.27	C	S	.	.	S	Bend	trans	79.6	24.1	-174.8	0	0	0	0	0	113	S139 D167 E168	S139-G170 PolarHBondContact N-O 3.42Å; S139-G170 PolarHBondContact OG-O 3.27Å; S139-G170 VanDerWaalsContact OG-O 3.08Å; D167-G170 PolarHBondContact O-N 3.5Å; D167-G170 PolarHBondContact OD1-N 3.37Å; E168-G170 VanDerWaalsContact C-N 3.35Å
171	D	95.4	Very high	95.2	Very high	51 Å²	51	51 Å²	51	27%	0.273	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	127.6	175.5	-65.3	-35.7	0	0	0	109.8	T136 G138 S166 D167	T136-D171 HydrophobicContact CG2-CB 4.32Å; G138-D171 WeakPolarHBondContact CA-OD1 3.34Å; S166-D171 WeakPolarHBondContact CA-O 3.49Å; S166-D171 WeakPolarHBondContact CB-O 3.5Å; D167-D171 PolarHBondContact N-O 2.65Å; D167-D171 PolarHBondContact OD1-N 3.03Å
172	M	97.1	Very high	95.2	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	121	179.3	-172.3	174.7	-61.3	0	0	109.9	Y126 T136 I137 L142 I161 N176 F177	Y126-M172 PolarHBondContact OH-O 3.34Å; T136-M172 WeakPolarHBondContact CA-O 3.28Å; I137-M172 PolarHBondContact N-O 2.95Å; I137-M172 PolarHBondContact O-N 2.82Å; L142-M172 HydrophobicContact CD1-CE 3.76Å; L142-M172 HydrophobicContact CD1-SD 3.97Å; L142-M172 HydrophobicContact CD2-CE 4.47Å; I161-M172 HydrophobicContact CG2-CE 3.67Å; M172-N176 HydrophobicContact CG-CB 4.07Å; M172-F177 HydrophobicContact CG-CB 4.06Å; M172-F177 VanDerWaalsContact SD-CA 3.55Å; M172-F177 HydrophobicContact SD-CB 3.92Å; M172-F177 HydrophobicContact SD-CD2 3.93Å; M172-F177 HydrophobicContact SD-CG 4.41Å
173	D	96	Very high	95.2	Very high	31 Å²	31	51.9 Å²	51.9	17%	0.166	24%	0.242	C	C	.	.			trans	-81.1	176	174.8	67.1	5.1	0	0	0	112.3	K83 Y126 T136 N176 F177	K83-D173 WeakPolarHBondContact O-CB 3.19Å; Y126-D173 WeakPolarHBondContact OH-CA 3.5Å; T136-D173 HydrophobicContact CG2-CB 4.29Å; D173-N176 WeakPolarHBondContact OD1-CB 3.2Å; D173-N176 PolarHBondContact OD1-N 3.03Å; D173-N176 PolarHBondContact OD1-ND2 3.49Å; D173-F177 VanDerWaalsContact O-CB 3.3Å; D173-F177 WeakPolarHBondContact O-CB 3.33Å; D173-F177 PolarHBondContact O-N 2.98Å
174	F	95.9	Very high	95.2	Very high	5 Å²	5	43 Å²	43	2%	0.022	21%	0.211	C	C	.	.	H	α-helix	trans	-67.5	-43.5	-165.7	177.9	-105.9	0	0	0	113.5	I76 L82 K83 F87 Q123 Y126 F177 I178	I76-F174 HydrophobicContact CD1-CD1 3.99Å; I76-F174 HydrophobicContact CD1-CE1 4.22Å; I76-F174 HydrophobicContact CG1-CD1 3.94Å; I76-F174 HydrophobicContact CG1-CE1 3.93Å; L82-F174 HydrophobicContact CB-CB 4.34Å; L82-F174 HydrophobicContact CB-CG 4.43Å; L82-F174 HydrophobicContact CD1-CD1 4.01Å; L82-F174 HydrophobicContact CD1-CD2 4.11Å; L82-F174 HydrophobicContact CD1-CE1 4.04Å; L82-F174 HydrophobicContact CD1-CE2 4.15Å; L82-F174 HydrophobicContact CD1-CG 4.03Å; L82-F174 HydrophobicContact CD1-CZ 4.11Å; L82-F174 HydrophobicContact CD2-CB 4.47Å; L82-F174 HydrophobicContact CD2-CD2 3.84Å; L82-F174 HydrophobicContact CD2-CE2 4.33Å; L82-F174 HydrophobicContact CD2-CG 4.17Å; L82-F174 HydrophobicContact CG-CG 4.45Å; K83-F174 WeakPolarHBondContact O-CB 3.43Å; K83-F174 PolarHBondContact O-N 3.23Å; F87-F174 HydrophobicContact CE2-CD1 4.36Å; F87-F174 HydrophobicContact CE2-CE1 4.09Å; F87-F174 HydrophobicContact CZ-CD1 4.37Å; F87-F174 HydrophobicContact CZ-CE1 4.14Å; Q123-F174 HydrophobicContact CB-CE2 3.96Å; Q123-F174 HydrophobicContact CB-CZ 4.05Å; Q123-F174 HydrophobicContact CG-CE2 3.87Å; Q123-F174 HydrophobicContact CG-CZ 3.94Å; Y126-F174 HydrophobicContact CD1-CD2 4.02Å; Y126-F174 HydrophobicContact CD2-CD2 4.12Å; Y126-F174 HydrophobicContact CE1-CB 4.32Å; Y126-F174 HydrophobicContact CE1-CD2 4.26Å; Y126-F174 HydrophobicContact CE2-CB 4.26Å; Y126-F174 HydrophobicContact CE2-CD2 4.32Å; Y126-F174 AromaticContact CG-CD2 3.93Å; Y126-F174 HydrophobicContact CG-CD2 3.93Å; Y126-F174 PolarHBondContact OH-N 3.38Å; F174-F177 PolarHBondContact O-N 2.77Å; F174-I178 HydrophobicContact CD2-CG1 4.3Å; F174-I178 HydrophobicContact CE1-CG1 4.09Å; F174-I178 HydrophobicContact CE2-CD1 4.04Å; F174-I178 HydrophobicContact CE2-CG1 3.82Å; F174-I178 HydrophobicContact CZ-CD1 4.09Å; F174-I178 HydrophobicContact CZ-CG1 3.71Å; F174-I178 WeakPolarHBondContact O-CG1 3.47Å; F174-I178 PolarHBondContact O-N 3.01Å
175	D	95.4	Very high	95.1	Very high	7 Å²	7	35.3 Å²	35.3	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-70.8	-36.9	-178.7	60.8	-75.9	0	0	0	111.9	T84 F87 I178 G179	T84-D175 VanDerWaalsContact CB-OD1 3.29Å; T84-D175 WeakPolarHBondContact CB-OD1 3.32Å; T84-D175 PolarHBondContact OG1-OD1 3.31Å; F87-D175 HydrophobicContact CD1-CB 3.71Å; F87-D175 HydrophobicContact CD2-CB 4.35Å; F87-D175 HydrophobicContact CE1-CB 3.61Å; F87-D175 HydrophobicContact CE2-CB 4.32Å; F87-D175 HydrophobicContact CG-CB 4.09Å; F87-D175 HydrophobicContact CZ-CB 3.95Å; D175-I178 PolarHBondContact O-N 2.75Å; D175-G179 PolarHBondContact O-N 3.25Å
176	N	96.6	Very high	94.9	Very high	44 Å²	44	34 Å²	34	24%	0.235	18%	0.178	C	C	.	.	H	α-helix	trans	-66.3	-39.1	172	-76.4	-62.9	0	0	0	112	Y165 M172 D173 G179 C180	Y165-N176 HydrophobicContact CD1-CB 4.34Å; Y165-N176 VanDerWaalsContact O-CB 3.24Å; Y165-N176 WeakPolarHBondContact O-CB 3.37Å; M172-N176 HydrophobicContact CG-CB 4.07Å; D173-N176 WeakPolarHBondContact OD1-CB 3.2Å; D173-N176 PolarHBondContact OD1-N 3.03Å; D173-N176 PolarHBondContact OD1-ND2 3.49Å; N176-G179 PolarHBondContact O-N 3.03Å; N176-C180 VanDerWaalsContact O-CB 3.24Å; N176-C180 WeakPolarHBondContact O-CB 3.24Å; N176-C180 PolarHBondContact O-N 2.81Å
177	F	96.9	Very high	94.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.6	-48.5	175.1	-178.4	-96	0	0	0	112.1	W122 I125 Y126 I137 A145 F146 M172 D173 F174 C180 L181	W122-F177 HydrophobicContact CB-CE1 4.19Å; I125-F177 HydrophobicContact CG2-CZ 4.29Å; Y126-F177 HydrophobicContact CD2-CB 3.84Å; Y126-F177 AromaticContact CD2-CD1 3.58Å; Y126-F177 HydrophobicContact CD2-CD1 3.58Å; Y126-F177 HydrophobicContact CD2-CD2 4.05Å; Y126-F177 HydrophobicContact CD2-CE1 4.06Å; Y126-F177 HydrophobicContact CD2-CE2 4.49Å; Y126-F177 AromaticContact CD2-CG 3.56Å; Y126-F177 HydrophobicContact CD2-CG 3.56Å; Y126-F177 HydrophobicContact CD2-CZ 4.49Å; Y126-F177 HydrophobicContact CE2-CB 3.85Å; Y126-F177 HydrophobicContact CE2-CD1 4.45Å; Y126-F177 HydrophobicContact CE2-CG 4.06Å; Y126-F177 HydrophobicContact CG-CD1 4.36Å; I137-F177 HydrophobicContact CG1-CD2 4.3Å; I137-F177 HydrophobicContact CG1-CE2 4.36Å; A145-F177 HydrophobicContact CB-CE2 4.05Å; A145-F177 HydrophobicContact CB-CZ 4.23Å; F146-F177 HydrophobicContact CD2-CE2 4.15Å; F146-F177 HydrophobicContact CE2-CD2 4.06Å; F146-F177 AromaticContact CE2-CE2 3.76Å; F146-F177 HydrophobicContact CE2-CE2 3.76Å; M172-F177 HydrophobicContact CG-CB 4.06Å; M172-F177 VanDerWaalsContact SD-CA 3.55Å; M172-F177 HydrophobicContact SD-CB 3.92Å; M172-F177 HydrophobicContact SD-CD2 3.93Å; M172-F177 HydrophobicContact SD-CG 4.41Å; D173-F177 VanDerWaalsContact O-CB 3.3Å; D173-F177 WeakPolarHBondContact O-CB 3.33Å; D173-F177 PolarHBondContact O-N 2.98Å; F174-F177 PolarHBondContact O-N 2.77Å; F177-C180 PolarHBondContact O-N 2.86Å; F177-L181 HydrophobicContact CD1-CD1 3.9Å; F177-L181 HydrophobicContact CE1-CD1 3.34Å; F177-L181 HydrophobicContact CE1-CG 4.49Å; F177-L181 HydrophobicContact CE2-CD1 4.17Å; F177-L181 HydrophobicContact CZ-CD1 3.5Å; F177-L181 VanDerWaalsContact CZ-CD1 3.5Å; F177-L181 WeakPolarHBondContact O-CG 3.32Å; F177-L181 PolarHBondContact O-N 3.37Å; F177-L181 VanDerWaalsContact O-N 3.07Å
178	I	96.5	Very high	94.6	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-45.8	177.6	-65.8	-62.9	0	0	0	111	F87 M95 I119 W122 F174 D175 C180 L181 V182	F87-I178 HydrophobicContact CE1-CB 4Å; F87-I178 HydrophobicContact CE1-CG2 3.98Å; F87-I178 HydrophobicContact CZ-CB 3.89Å; F87-I178 HydrophobicContact CZ-CG1 4.2Å; F87-I178 HydrophobicContact CZ-CG2 3.94Å; M95-I178 HydrophobicContact CE-CG2 4.09Å; I119-I178 HydrophobicContact CD1-CG2 4.22Å; I119-I178 HydrophobicContact CG1-CG2 3.87Å; I119-I178 HydrophobicContact CG2-CD1 4.4Å; W122-I178 HydrophobicContact CB-CD1 3.69Å; W122-I178 HydrophobicContact CE3-CD1 4.44Å; F174-I178 HydrophobicContact CD2-CG1 4.3Å; F174-I178 HydrophobicContact CE1-CG1 4.09Å; F174-I178 HydrophobicContact CE2-CD1 4.04Å; F174-I178 HydrophobicContact CE2-CG1 3.82Å; F174-I178 HydrophobicContact CZ-CD1 4.09Å; F174-I178 HydrophobicContact CZ-CG1 3.71Å; F174-I178 WeakPolarHBondContact O-CG1 3.47Å; F174-I178 PolarHBondContact O-N 3.01Å; D175-I178 PolarHBondContact O-N 2.75Å; I178-C180 VanDerWaalsContact C-N 3.32Å; I178-C180 PolarHBondContact O-N 3.29Å; I178-L181 PolarHBondContact O-N 2.89Å; I178-V182 HydrophobicContact CG2-CG2 4.26Å; I178-V182 WeakPolarHBondContact O-CG2 3.4Å; I178-V182 PolarHBondContact O-N 2.91Å
179	G	95.4	Very high	94.6	Very high	17 Å²	17	25.6 Å²	25.6	18%	0.175	13%	0.133	C	C	.	.	H	α-helix	trans	-58.9	-41.9	177.5	0	0	0	0	0	113	M95 D175 N176 R183	M95-G179 VanDerWaalsContact CE-CA 3.49Å; D175-G179 PolarHBondContact O-N 3.25Å; N176-G179 PolarHBondContact O-N 3.03Å; G179-R183 PolarHBondContact O-N 2.68Å; G179-R183 VanDerWaalsContact O-N 3.16Å
180	C	96.1	Very high	94.5	Very high	4 Å²	4	20.9 Å²	20.9	3%	0.027	11%	0.112	C	C	.	.	H	α-helix	trans	-62.7	-47.8	175.5	-175.1	0	0	0	0	111.7	F146 Y165 N176 F177 I178 R183 L184	F146-C180 HydrophobicContact CZ-CB 4.47Å; Y165-C180 HydrophobicContact CD1-CB 3.86Å; Y165-C180 HydrophobicContact CD2-CB 3.95Å; Y165-C180 HydrophobicContact CE1-CB 3.9Å; Y165-C180 HydrophobicContact CE2-CB 4Å; Y165-C180 HydrophobicContact CG-CB 3.88Å; N176-C180 VanDerWaalsContact O-CB 3.24Å; N176-C180 WeakPolarHBondContact O-CB 3.24Å; N176-C180 PolarHBondContact O-N 2.81Å; F177-C180 PolarHBondContact O-N 2.86Å; I178-C180 VanDerWaalsContact C-N 3.32Å; I178-C180 PolarHBondContact O-N 3.29Å; C180-R183 PolarHBondContact O-N 2.87Å; C180-L184 VanDerWaalsContact O-CB 3.32Å; C180-L184 WeakPolarHBondContact O-CB 3.31Å; C180-L184 PolarHBondContact O-N 3.03Å
181	L	96.9	Very high	94.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-69	-36.6	-178.2	-73.1	177	0	0	0	113.1	W122 F146 A149 F151 F177 I178 R183 L184 D185	W122-L181 HydrophobicContact CB-CD1 3.82Å; W122-L181 HydrophobicContact CD2-CB 3.78Å; W122-L181 HydrophobicContact CD2-CD1 3.85Å; W122-L181 HydrophobicContact CD2-CG 4.46Å; W122-L181 HydrophobicContact CE3-CB 3.78Å; W122-L181 HydrophobicContact CE3-CD1 4.48Å; W122-L181 HydrophobicContact CG-CB 4.37Å; W122-L181 HydrophobicContact CG-CD1 3.53Å; W122-L181 HydrophobicContact CH2-CB 4.08Å; W122-L181 WeakPolarHBondContact CH2-O 3.22Å; W122-L181 HydrophobicContact CZ2-CB 4.08Å; W122-L181 HydrophobicContact CZ3-CB 3.94Å; F146-L181 HydrophobicContact CD1-CD2 4.04Å; F146-L181 HydrophobicContact CE1-CD2 3.79Å; F146-L181 HydrophobicContact CE2-CD2 4.29Å; F146-L181 HydrophobicContact CG-CD2 4.41Å; F146-L181 HydrophobicContact CZ-CD2 3.93Å; F146-L181 HydrophobicContact CZ-CG 4.32Å; A149-L181 HydrophobicContact CB-CD1 4.16Å; A149-L181 HydrophobicContact CB-CD2 4.01Å; F151-L181 HydrophobicContact CD2-CD2 3.73Å; F151-L181 HydrophobicContact CE2-CD2 3.98Å; F177-L181 HydrophobicContact CD1-CD1 3.9Å; F177-L181 HydrophobicContact CE1-CD1 3.34Å; F177-L181 HydrophobicContact CE1-CG 4.49Å; F177-L181 HydrophobicContact CE2-CD1 4.17Å; F177-L181 HydrophobicContact CZ-CD1 3.5Å; F177-L181 VanDerWaalsContact CZ-CD1 3.5Å; F177-L181 WeakPolarHBondContact O-CG 3.32Å; F177-L181 PolarHBondContact O-N 3.37Å; F177-L181 VanDerWaalsContact O-N 3.07Å; I178-L181 PolarHBondContact O-N 2.89Å; L181-R183 VanDerWaalsContact C-N 3.35Å; L181-L184 PolarHBondContact O-N 3.04Å; L181-D185 VanDerWaalsContact O-CB 3.27Å; L181-D185 WeakPolarHBondContact O-CB 3.46Å; L181-D185 PolarHBondContact O-N 2.93Å
182	V	95.4	Very high	94	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-58	-49.4	172	168.9	0	0	0	0	110.3	M95 V98 M99 L115 W122 I178 A186	M95-V182 HydrophobicContact CB-CG1 4.15Å; M95-V182 HydrophobicContact CG-CB 4.2Å; M95-V182 HydrophobicContact CG-CG1 3.86Å; M95-V182 HydrophobicContact CG-CG2 4.17Å; M95-V182 HydrophobicContact SD-CG2 4.47Å; V98-V182 HydrophobicContact CG2-CG1 3.6Å; M99-V182 HydrophobicContact CE-CG1 4.07Å; L115-V182 HydrophobicContact CD1-CG1 4.35Å; L115-V182 HydrophobicContact CD1-CG2 3.68Å; W122-V182 HydrophobicContact CH2-CG2 4.4Å; W122-V182 HydrophobicContact CZ3-CB 4.36Å; W122-V182 HydrophobicContact CZ3-CG2 3.62Å; I178-V182 HydrophobicContact CG2-CG2 4.26Å; I178-V182 WeakPolarHBondContact O-CG2 3.4Å; I178-V182 PolarHBondContact O-N 2.91Å; V182-A186 WeakPolarHBondContact O-CB 3.42Å; V182-A186 PolarHBondContact O-N 3.04Å; V182-A186 VanDerWaalsContact O-N 3.09Å
183	R	94	Very high	93.6	Very high	73 Å²	73	29.5 Å²	29.5	28%	0.275	15%	0.154	S	C	.	.	H	α-helix	trans	-65	-44.2	-179.5	-165.3	174.8	-168.6	114.1	2.8	111.3	S94 Y165 G179 C180 L181 A186 M187 Y215 S216	S94-R183 PolarHBondContact OG-NH1 2.89Å; Y165-R183 WeakPolarHBondContact OH-CD 3.42Å; G179-R183 PolarHBondContact O-N 2.68Å; G179-R183 VanDerWaalsContact O-N 3.16Å; C180-R183 PolarHBondContact O-N 2.87Å; L181-R183 VanDerWaalsContact C-N 3.35Å; R183-A186 PolarHBondContact O-N 3.47Å; R183-M187 VanDerWaalsContact O-CG 3.25Å; R183-M187 WeakPolarHBondContact O-CG 3.36Å; R183-M187 PolarHBondContact O-N 3.44Å; R183-Y215 PolarHBondContact NH2-O 3.28Å; R183-S216 PolarHBondContact NH1-OXT 3.18Å
184	L	94.3	Very high	93.2	Very high	32 Å²	32	31.7 Å²	31.7	17%	0.168	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-46.9	179.6	-176.2	59.9	0	0	0	111.9	F146 F151 L153 C180 L181 A186 M187 C188	F146-L184 HydrophobicContact CD1-CD2 3.94Å; F146-L184 HydrophobicContact CE1-CD2 3.83Å; F151-L184 HydrophobicContact CB-CD2 3.69Å; F151-L184 HydrophobicContact CD1-CD2 3.99Å; F151-L184 HydrophobicContact CD1-CG 3.97Å; F151-L184 HydrophobicContact CD2-CD2 4.02Å; F151-L184 HydrophobicContact CE1-CG 4.32Å; F151-L184 HydrophobicContact CG-CD2 3.62Å; F151-L184 HydrophobicContact CG-CG 4.11Å; L153-L184 HydrophobicContact CD1-CD2 4.02Å; L153-L184 HydrophobicContact CD2-CD1 4.49Å; L153-L184 HydrophobicContact CD2-CD2 4.42Å; C180-L184 VanDerWaalsContact O-CB 3.32Å; C180-L184 WeakPolarHBondContact O-CB 3.31Å; C180-L184 PolarHBondContact O-N 3.03Å; L181-L184 PolarHBondContact O-N 3.04Å; L184-A186 VanDerWaalsContact C-N 3.34Å; L184-A186 PolarHBondContact O-N 3.18Å; L184-M187 PolarHBondContact O-N 3.5Å; L184-C188 WeakPolarHBondContact O-CB 3.39Å; L184-C188 PolarHBondContact O-N 3.27Å; L184-C188 PolarHBondContact O-SG 3.45Å; L184-C188 VanDerWaalsContact O-SG 3.35Å
185	D	94.1	Very high	92.9	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-57.6	-46.6	176.2	179.2	77.4	0	0	0	111.6	P25 S26 Y114 W122 F151 L181 C188 R189	P25-D185 WeakPolarHBondContact CA-OD1 3.36Å; P25-D185 WeakPolarHBondContact CB-OD1 3.35Å; S26-D185 PolarHBondContact N-OD1 2.81Å; S26-D185 VanDerWaalsContact N-OD1 3.1Å; Y114-D185 PolarHBondContact OH-OD1 3.46Å; Y114-D185 PolarHBondContact OH-OD2 3.25Å; W122-D185 HydrophobicContact CH2-CB 3.92Å; W122-D185 HydrophobicContact CZ2-CB 4.04Å; F151-D185 HydrophobicContact CE1-CB 4.5Å; F151-D185 HydrophobicContact CZ-CB 3.78Å; L181-D185 VanDerWaalsContact O-CB 3.27Å; L181-D185 WeakPolarHBondContact O-CB 3.46Å; L181-D185 PolarHBondContact O-N 2.93Å; D185-C188 PolarHBondContact O-N 3.17Å; D185-R189 WeakPolarHBondContact O-CG 3.31Å; D185-R189 PolarHBondContact O-N 2.96Å; D185-R189 IonicContact OD2-CZ 3.57Å; D185-R189 IonicContact OD2-NE 2.81Å; D185-R189 PolarHBondContact OD2-NE 2.9Å; D185-R189 IonicContact OD2-NH2 3.45Å; D185-R189 PolarHBondContact OD2-NH2 3.13Å
186	A	91.8	Very high	92.6	Very high	5 Å²	5	40.8 Å²	40.8	4%	0.041	20%	0.204	C	C	.	.	H	α-helix	trans	-62.1	-44.9	178.8	0	0	0	0	0	112.6	V98 V182 R183 L184 R189 A190	V98-A186 HydrophobicContact CB-CB 3.68Å; V98-A186 HydrophobicContact CG2-CB 3.9Å; V182-A186 WeakPolarHBondContact O-CB 3.42Å; V182-A186 PolarHBondContact O-N 3.04Å; V182-A186 VanDerWaalsContact O-N 3.09Å; R183-A186 PolarHBondContact O-N 3.47Å; L184-A186 VanDerWaalsContact C-N 3.34Å; L184-A186 PolarHBondContact O-N 3.18Å; A186-R189 PolarHBondContact O-N 3.32Å; A186-A190 WeakPolarHBondContact O-CB 3.44Å; A186-A190 PolarHBondContact O-N 3.36Å
187	M	92	Very high	92.2	Very high	71 Å²	71	44.5 Å²	44.5	35%	0.35	22%	0.224	S	C	.	.	H	α-helix	trans	-64.1	-41.4	177.4	-65.8	-63.3	98.5	0	0	111.8	R183 L184 A190 F191 Y215	R183-M187 VanDerWaalsContact O-CG 3.25Å; R183-M187 WeakPolarHBondContact O-CG 3.36Å; R183-M187 PolarHBondContact O-N 3.44Å; L184-M187 PolarHBondContact O-N 3.5Å; M187-A190 PolarHBondContact O-N 3.01Å; M187-F191 WeakPolarHBondContact O-CB 3.42Å; M187-F191 PolarHBondContact O-N 2.62Å; M187-Y215 HydrophobicContact CE-CD2 4.39Å
188	C	91.4	Very high	91.7	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-63.4	-42.6	175.3	-71.5	0	0	0	0	112.2	P25 F151 L184 D185 F191 K192	P25-C188 HydrophobicContact CB-CB 4.32Å; F151-C188 HydrophobicContact CE1-CB 4.4Å; L184-C188 WeakPolarHBondContact O-CB 3.39Å; L184-C188 PolarHBondContact O-N 3.27Å; L184-C188 PolarHBondContact O-SG 3.45Å; L184-C188 VanDerWaalsContact O-SG 3.35Å; D185-C188 PolarHBondContact O-N 3.17Å; C188-F191 PolarHBondContact O-N 2.74Å; C188-K192 WeakPolarHBondContact O-CG 3.36Å; C188-K192 PolarHBondContact O-N 3.41Å
189	R	90.3	Very high	91.4	Very high	52 Å²	52	52.6 Å²	52.6	20%	0.196	27%	0.272	C	S	.	.	H	α-helix	trans	-64.5	-43.7	176.5	-75	-174.1	-68.2	109.1	-2	112.2	P25 M99 Y114 D185 A186 K192 T193	P25-R189 HydrophobicContact CB-CG 3.74Å; P25-R189 HydrophobicContact CG-CG 4.23Å; M99-R189 PolarHBondContact SD-NH2 3.29Å; M99-R189 VanDerWaalsContact SD-NH2 3.36Å; Y114-R189 VanDerWaalsContact OH-CD 3.28Å; Y114-R189 WeakPolarHBondContact OH-CD 3.47Å; Y114-R189 PolarHBondContact OH-NE 3.41Å; D185-R189 WeakPolarHBondContact O-CG 3.31Å; D185-R189 PolarHBondContact O-N 2.96Å; D185-R189 IonicContact OD2-CZ 3.57Å; D185-R189 IonicContact OD2-NE 2.81Å; D185-R189 PolarHBondContact OD2-NE 2.9Å; D185-R189 IonicContact OD2-NH2 3.45Å; D185-R189 PolarHBondContact OD2-NH2 3.13Å; A186-R189 PolarHBondContact O-N 3.32Å; R189-K192 PolarHBondContact O-N 3.16Å; R189-T193 WeakPolarHBondContact O-CB 3.38Å; R189-T193 PolarHBondContact O-N 2.8Å; R189-T193 PolarHBondContact O-OG1 2.98Å
190	A	89.5	Confident	91	Very high	29 Å²	29	53.2 Å²	53.2	24%	0.24	28%	0.279	C	S	.	.	H	α-helix	trans	-59.9	-48.2	176.8	0	0	0	0	0	110.7	A186 M187 K192 T193 L194 L212	A186-A190 WeakPolarHBondContact O-CB 3.44Å; A186-A190 PolarHBondContact O-N 3.36Å; M187-A190 PolarHBondContact O-N 3.01Å; A190-K192 PolarHBondContact O-N 3.11Å; A190-T193 PolarHBondContact O-N 3.1Å; A190-L194 WeakPolarHBondContact O-CG 3.23Å; A190-L194 PolarHBondContact O-N 3.49Å; A190-L212 HydrophobicContact CB-CD2 4.2Å
191	F	90.4	Very high	90.7	Very high	54 Å²	54	57.7 Å²	57.7	24%	0.237	31%	0.306	C	S	.	.	H	α-helix	trans	-57.3	-52	176.8	-171.6	-86.2	0	0	0	111.9	P20 M187 C188 T193 L194 D195 I202	P20-F191 HydrophobicContact CB-CD1 4.36Å; P20-F191 HydrophobicContact CB-CE1 4.05Å; P20-F191 HydrophobicContact CG-CE1 4Å; M187-F191 WeakPolarHBondContact O-CB 3.42Å; M187-F191 PolarHBondContact O-N 2.62Å; C188-F191 PolarHBondContact O-N 2.74Å; F191-T193 PolarHBondContact O-N 3.04Å; F191-L194 PolarHBondContact O-N 3.49Å; F191-D195 HydrophobicContact CD1-CB 4.15Å; F191-D195 HydrophobicContact CE1-CB 3.81Å; F191-D195 WeakPolarHBondContact CE1-OD2 3.14Å; F191-D195 HydrophobicContact CZ-CB 4.42Å; F191-D195 WeakPolarHBondContact O-CB 3.46Å; F191-D195 PolarHBondContact O-N 2.87Å; F191-I202 HydrophobicContact CD2-CD1 3.84Å; F191-I202 HydrophobicContact CD2-CG1 4.27Å; F191-I202 HydrophobicContact CD2-CG2 4.23Å; F191-I202 HydrophobicContact CE2-CB 4.5Å; F191-I202 HydrophobicContact CE2-CD1 4.06Å; F191-I202 HydrophobicContact CE2-CG1 3.96Å; F191-I202 HydrophobicContact CE2-CG2 3.91Å; F191-I202 HydrophobicContact CZ-CG2 4.11Å
192	K	88.4	Confident	90.4	Very high	86 Å²	86	60 Å²	60	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-61.7	-28.1	179.1	-73.5	-167	179.8	-155.6	0	114.1	F23 P25 C188 R189 A190 L194	F23-K192 WeakPolarHBondContact O-CE 3.21Å; F23-K192 PolarHBondContact O-NZ 3.26Å; P25-K192 HydrophobicContact CG-CD 4.03Å; C188-K192 WeakPolarHBondContact O-CG 3.36Å; C188-K192 PolarHBondContact O-N 3.41Å; R189-K192 PolarHBondContact O-N 3.16Å; A190-K192 PolarHBondContact O-N 3.11Å; K192-L194 VanDerWaalsContact C-N 3.31Å
193	T	87.2	Confident	90.3	Very high	100 Å²	100	68 Å²	68	61%	0.613	36%	0.36	S	S	*	.	H	α-helix	trans	-73	-30.1	177.2	-58.1	0	0	0	0	111.5	R189 A190 F191	R189-T193 WeakPolarHBondContact O-CB 3.38Å; R189-T193 PolarHBondContact O-N 2.8Å; R189-T193 PolarHBondContact O-OG1 2.98Å; A190-T193 PolarHBondContact O-N 3.1Å; F191-T193 PolarHBondContact O-N 3.04Å
194	L	88.3	Confident	90.2	Very high	76 Å²	76	67 Å²	67	40%	0.398	36%	0.36	S	S	.	.	H	α-helix	trans	-88.7	-37.9	-178.6	-64.7	167.6	0	0	0	112	A190 F191 K192 K196 I202 L204 L212	A190-L194 WeakPolarHBondContact O-CG 3.23Å; A190-L194 PolarHBondContact O-N 3.49Å; F191-L194 PolarHBondContact O-N 3.49Å; K192-L194 VanDerWaalsContact C-N 3.31Å; L194-K196 VanDerWaalsContact C-N 3.31Å; L194-K196 PolarHBondContact O-N 3.13Å; L194-I202 HydrophobicContact CB-CB 4.49Å; L194-I202 HydrophobicContact CB-CG2 3.86Å; L194-I202 HydrophobicContact CD1-CD1 4.03Å; L194-L204 HydrophobicContact CD1-CD2 4.26Å; L194-L212 HydrophobicContact CD1-CD1 3.65Å; L194-L212 HydrophobicContact CD1-CD2 4.15Å
195	D	90.6	Very high	90.2	Very high	12 Å²	12	69.5 Å²	69.5	6%	0.064	37%	0.374	C	S	.	.			trans	-79.6	71.7	177.4	-171.6	14.8	0	0	0	111.6	F191 D197 D198 S199 G200 I202	F191-D195 HydrophobicContact CD1-CB 4.15Å; F191-D195 HydrophobicContact CE1-CB 3.81Å; F191-D195 WeakPolarHBondContact CE1-OD2 3.14Å; F191-D195 HydrophobicContact CZ-CB 4.42Å; F191-D195 WeakPolarHBondContact O-CB 3.46Å; F191-D195 PolarHBondContact O-N 2.87Å; D195-D197 VanDerWaalsContact C-N 3.27Å; D195-D197 PolarHBondContact O-N 3.26Å; D195-D198 PolarHBondContact O-N 2.88Å; D195-D198 PolarHBondContact OD1-N 3.48Å; D195-S199 PolarHBondContact OD1-N 3.34Å; D195-S199 PolarHBondContact OD1-OG 3.27Å; D195-S199 VanDerWaalsContact OD1-OG 3.06Å; D195-S199 PolarHBondContact OD2-N 3.17Å; D195-G200 WeakPolarHBondContact OD2-CA 3.35Å; D195-G200 PolarHBondContact OD2-N 2.7Å; D195-I202 HydrophobicContact CB-CG2 3.87Å
196	K	87.8	Confident	90.2	Very high	191 Å²	191	75.4 Å²	75.4	83%	0.83	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-20	-174.5	-68	179.4	-178	170.9	0	114	L194	L194-K196 VanDerWaalsContact C-N 3.31Å; L194-K196 PolarHBondContact O-N 3.13Å
197	D	89.1	Confident	90.2	Very high	122 Å²	122	81.7 Å²	81.7	65%	0.652	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	3.8	-179.4	63.9	-17.3	0	0	0	113.2	D195 S199	D195-D197 VanDerWaalsContact C-N 3.27Å; D195-D197 PolarHBondContact O-N 3.26Å; D197-S199 PolarHBondContact O-N 3.32Å; D197-S199 WeakPolarHBondContact OD1-CB 3.5Å; D197-S199 PolarHBondContact OD1-OG 3.48Å; D197-S199 VanDerWaalsContact OD1-OG 3.12Å
198	D	87	Confident	90.1	Very high	114 Å²	114	82.2 Å²	82.2	61%	0.61	43%	0.432	S	S	*	.			trans	54.6	36.7	-179.5	-155.3	23.6	0	0	0	111.4	D195 G200	D195-D198 PolarHBondContact O-N 2.88Å; D195-D198 PolarHBondContact OD1-N 3.48Å; D198-G200 VanDerWaalsContact C-N 3.27Å
199	S	89.4	Confident	90.1	Very high	57 Å²	57	88.4 Å²	88.4	40%	0.399	45%	0.454	S	S	.	.			trans	-77.6	-17.7	-178.4	66.5	0	0	0	0	112.2	D195 D197 T201	D195-S199 PolarHBondContact OD1-N 3.34Å; D195-S199 PolarHBondContact OD1-OG 3.27Å; D195-S199 VanDerWaalsContact OD1-OG 3.06Å; D195-S199 PolarHBondContact OD2-N 3.17Å; D197-S199 PolarHBondContact O-N 3.32Å; D197-S199 WeakPolarHBondContact OD1-CB 3.5Å; D197-S199 PolarHBondContact OD1-OG 3.48Å; D197-S199 VanDerWaalsContact OD1-OG 3.12Å; S199-T201 VanDerWaalsContact C-N 3.26Å; S199-T201 PolarHBondContact OG-N 3.29Å; S199-T201 PolarHBondContact OG-O 2.9Å; S199-T201 VanDerWaalsContact OG-O 3.11Å; S199-T201 PolarHBondContact OG-OG1 3.2Å; S199-T201 VanDerWaalsContact OG-OG1 3.1Å
200	G	87.7	Confident	90.1	Very high	30 Å²	30	89.8 Å²	89.8	31%	0.309	47%	0.465	S	S	.	.	S	Bend	trans	76.6	13.1	-171.6	0	0	0	0	0	113.3	D195 D198	D195-G200 WeakPolarHBondContact OD2-CA 3.35Å; D195-G200 PolarHBondContact OD2-N 2.7Å; D198-G200 VanDerWaalsContact C-N 3.27Å
201	T	89.4	Confident	89.9	Confident	97 Å²	97	93.9 Å²	93.9	60%	0.595	48%	0.479	S	S	*	.			trans	-138.4	149.9	178.3	57.9	0	0	0	0	111.7	S199	S199-T201 VanDerWaalsContact C-N 3.26Å; S199-T201 PolarHBondContact OG-N 3.29Å; S199-T201 PolarHBondContact OG-O 2.9Å; S199-T201 VanDerWaalsContact OG-O 3.11Å; S199-T201 PolarHBondContact OG-OG1 3.2Å; S199-T201 VanDerWaalsContact OG-OG1 3.1Å
202	I	91.3	Very high	89.8	Confident	50 Å²	50	93.2 Å²	93.2	26%	0.256	48%	0.478	S	S	.	.			trans	-132.1	137.4	174.6	62.5	177.4	0	0	0	109.7	F191 L194 D195 L204	F191-I202 HydrophobicContact CD2-CD1 3.84Å; F191-I202 HydrophobicContact CD2-CG1 4.27Å; F191-I202 HydrophobicContact CD2-CG2 4.23Å; F191-I202 HydrophobicContact CE2-CB 4.5Å; F191-I202 HydrophobicContact CE2-CD1 4.06Å; F191-I202 HydrophobicContact CE2-CG1 3.96Å; F191-I202 HydrophobicContact CE2-CG2 3.91Å; F191-I202 HydrophobicContact CZ-CG2 4.11Å; L194-I202 HydrophobicContact CB-CB 4.49Å; L194-I202 HydrophobicContact CB-CG2 3.86Å; L194-I202 HydrophobicContact CD1-CD1 4.03Å; D195-I202 HydrophobicContact CB-CG2 3.87Å; I202-L204 HydrophobicContact CD1-CD1 3.71Å; I202-L204 HydrophobicContact CD1-CD2 4.4Å; I202-L204 HydrophobicContact CD1-CG 4.13Å; I202-L204 HydrophobicContact CG1-CD1 4.17Å; I202-L204 HydrophobicContact CG1-CG 4.22Å
203	D	92.3	Very high	89.8	Confident	167 Å²	167	91.7 Å²	91.7	89%	0.893	48%	0.476	S	S	*	.			trans	-97.6	125.5	172.1	-75.8	-33.8	0	0	0	109.2
204	L	91.7	Very high	89.7	Confident	52 Å²	52	93.9 Å²	93.9	27%	0.272	48%	0.481	S	S	.	.			trans	-131.5	138.9	-177.2	-61.5	172.4	0	0	0	110.7	L194 I202 E208 W209 L212	L194-L204 HydrophobicContact CD1-CD2 4.26Å; I202-L204 HydrophobicContact CD1-CD1 3.71Å; I202-L204 HydrophobicContact CD1-CD2 4.4Å; I202-L204 HydrophobicContact CD1-CG 4.13Å; I202-L204 HydrophobicContact CG1-CD1 4.17Å; I202-L204 HydrophobicContact CG1-CG 4.22Å; L204-E208 WeakPolarHBondContact CA-OE2 3.26Å; L204-E208 HydrophobicContact CB-CB 4.3Å; L204-E208 HydrophobicContact CD2-CB 3.99Å; L204-W209 HydrophobicContact CD1-CE3 3.89Å; L204-L212 HydrophobicContact CD1-CD1 3.52Å; L204-L212 HydrophobicContact CD2-CD1 3.85Å; L204-L212 HydrophobicContact CG-CD1 4.36Å
205	D	93.9	Very high	88.8	Confident	86 Å²	86	94.3 Å²	94.3	46%	0.46	48%	0.478	S	S	.	.			trans	-78.4	173.5	164.1	82.3	22.1	0	0	0	111.9	K207 E208 W209	D205-K207 VanDerWaalsContact C-N 3.27Å; D205-K207 PolarHBondContact O-N 2.92Å; D205-K207 WeakPolarHBondContact OD1-CA 3.47Å; D205-K207 VanDerWaalsContact OD1-CB 3.28Å; D205-K207 WeakPolarHBondContact OD1-CB 3.16Å; D205-K207 PolarHBondContact OD1-N 2.72Å; D205-E208 PolarHBondContact N-OE2 2.98Å; D205-E208 PolarHBondContact O-N 3.22Å; D205-E208 WeakPolarHBondContact OD1-CG 3.35Å; D205-E208 PolarHBondContact OD1-N 2.65Å; D205-W209 WeakPolarHBondContact O-CB 3.5Å; D205-W209 PolarHBondContact O-N 3.28Å
206	I	94	Very high	86.8	Confident	124 Å²	124	97.7 Å²	97.7	64%	0.636	50%	0.502	S	S	*	.	H	α-helix	trans	-63.5	-32.5	-178.5	-172.5	57.1	0	0	0	112.9	L210	I206-L210 HydrophobicContact CD1-CD1 4.37Å; I206-L210 HydrophobicContact CD1-CG 4.26Å; I206-L210 HydrophobicContact CG1-CD1 4.14Å; I206-L210 HydrophobicContact CG1-CG 4.46Å; I206-L210 WeakPolarHBondContact O-CB 3.45Å; I206-L210 WeakPolarHBondContact O-CG 3.49Å; I206-L210 PolarHBondContact O-N 3.4Å
207	K	92	Very high	86.8	Confident	136 Å²	136	93 Å²	93	59%	0.591	49%	0.486	S	S	*	.	H	α-helix	trans	-72.1	-46.5	-179.1	-179.7	-171.2	172.9	-167.7	0	109.6	D205 L210 Q211	D205-K207 VanDerWaalsContact C-N 3.27Å; D205-K207 PolarHBondContact O-N 2.92Å; D205-K207 WeakPolarHBondContact OD1-CA 3.47Å; D205-K207 VanDerWaalsContact OD1-CB 3.28Å; D205-K207 WeakPolarHBondContact OD1-CB 3.16Å; D205-K207 PolarHBondContact OD1-N 2.72Å; K207-L210 PolarHBondContact O-N 3.01Å; K207-Q211 WeakPolarHBondContact O-CG 3.39Å; K207-Q211 PolarHBondContact O-N 3.32Å
208	E	90.3	Very high	86.7	Confident	83 Å²	83	91.5 Å²	91.5	39%	0.388	48%	0.477	S	S	.	.	H	α-helix	trans	-61.9	-44.2	176.5	-65.4	170.8	142.7	0	0	110.8	L204 D205 L210 Q211 L212	L204-E208 WeakPolarHBondContact CA-OE2 3.26Å; L204-E208 HydrophobicContact CB-CB 4.3Å; L204-E208 HydrophobicContact CD2-CB 3.99Å; D205-E208 PolarHBondContact N-OE2 2.98Å; D205-E208 PolarHBondContact O-N 3.22Å; D205-E208 WeakPolarHBondContact OD1-CG 3.35Å; D205-E208 PolarHBondContact OD1-N 2.65Å; E208-L210 PolarHBondContact O-N 3.09Å; E208-Q211 PolarHBondContact O-N 3.14Å; E208-L212 WeakPolarHBondContact O-CG 3.35Å; E208-L212 PolarHBondContact O-N 3.35Å
209	W	91.1	Very high	86.7	Confident	138 Å²	138	90.2 Å²	90.2	52%	0.523	47%	0.47	S	S	.	.	H	α-helix	trans	-58.3	-46.5	175.1	177.3	-104.9	0	0	0	112.7	L204 D205 L212 T213	L204-W209 HydrophobicContact CD1-CE3 3.89Å; D205-W209 WeakPolarHBondContact O-CB 3.5Å; D205-W209 PolarHBondContact O-N 3.28Å; W209-L212 PolarHBondContact O-N 2.81Å; W209-T213 HydrophobicContact CD2-CG2 3.88Å; W209-T213 HydrophobicContact CE3-CG2 4.01Å; W209-T213 HydrophobicContact CH2-CG2 3.76Å; W209-T213 HydrophobicContact CZ2-CG2 3.6Å; W209-T213 HydrophobicContact CZ3-CG2 3.95Å; W209-T213 WeakPolarHBondContact O-CB 3.39Å; W209-T213 WeakPolarHBondContact O-CG2 3.31Å; W209-T213 PolarHBondContact O-N 3.22Å; W209-T213 PolarHBondContact O-OG1 2.99Å
210	L	91.7	Very high	86.5	Confident	82 Å²	82	92.2 Å²	92.2	43%	0.429	47%	0.474	S	S	.	.	H	α-helix	trans	-65.5	-39.7	178.2	-72.1	172.7	0	0	0	111.7	I206 K207 E208 L212 T213 M214	I206-L210 HydrophobicContact CD1-CD1 4.37Å; I206-L210 HydrophobicContact CD1-CG 4.26Å; I206-L210 HydrophobicContact CG1-CD1 4.14Å; I206-L210 HydrophobicContact CG1-CG 4.46Å; I206-L210 WeakPolarHBondContact O-CB 3.45Å; I206-L210 WeakPolarHBondContact O-CG 3.49Å; I206-L210 PolarHBondContact O-N 3.4Å; K207-L210 PolarHBondContact O-N 3.01Å; E208-L210 PolarHBondContact O-N 3.09Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 2.9Å; L210-T213 PolarHBondContact O-N 3.17Å; L210-M214 HydrophobicContact CB-CG 4.4Å; L210-M214 HydrophobicContact CD2-CG 4.15Å; L210-M214 WeakPolarHBondContact O-CB 3.41Å; L210-M214 WeakPolarHBondContact O-CG 3.41Å; L210-M214 PolarHBondContact O-N 2.88Å
211	Q	85.5	Confident	86.4	Confident	115 Å²	115	96.1 Å²	96.1	54%	0.537	48%	0.484	S	S	.	.	H	α-helix	trans	-60.7	-38.5	174.8	-74.9	176.7	-35.1	0	0	112.1	K207 E208 Y215	K207-Q211 WeakPolarHBondContact O-CG 3.39Å; K207-Q211 PolarHBondContact O-N 3.32Å; E208-Q211 PolarHBondContact O-N 3.14Å; Q211-Y215 VanDerWaalsContact O-CE2 3.24Å; Q211-Y215 WeakPolarHBondContact O-CE2 3.18Å
212	L	86.4	Confident	86.2	Confident	39 Å²	39	96 Å²	96	20%	0.204	48%	0.477	C	S	.	.	H	α-helix	trans	-77.2	-26.5	-179.5	-72.8	167.6	0	0	0	114.4	A190 L194 L204 E208 W209 L210 Y215	A190-L212 HydrophobicContact CB-CD2 4.2Å; L194-L212 HydrophobicContact CD1-CD1 3.65Å; L194-L212 HydrophobicContact CD1-CD2 4.15Å; L204-L212 HydrophobicContact CD1-CD1 3.52Å; L204-L212 HydrophobicContact CD2-CD1 3.85Å; L204-L212 HydrophobicContact CG-CD1 4.36Å; E208-L212 WeakPolarHBondContact O-CG 3.35Å; E208-L212 PolarHBondContact O-N 3.35Å; W209-L212 PolarHBondContact O-N 2.81Å; L210-L212 VanDerWaalsContact C-N 3.29Å; L210-L212 PolarHBondContact O-N 2.9Å; L212-Y215 WeakPolarHBondContact O-CD2 3.48Å; L212-Y215 VanDerWaalsContact O-CE2 3.27Å; L212-Y215 WeakPolarHBondContact O-CE2 3.21Å
213	T	88.8	Confident	85.9	Confident	55 Å²	55	99.3 Å²	99.3	34%	0.337	49%	0.493	S	S	.	.	H	α-helix	trans	-110.2	-18.7	-169.1	56.9	0	0	0	0	115.3	W209 L210 Y215	W209-T213 HydrophobicContact CD2-CG2 3.88Å; W209-T213 HydrophobicContact CE3-CG2 4.01Å; W209-T213 HydrophobicContact CH2-CG2 3.76Å; W209-T213 HydrophobicContact CZ2-CG2 3.6Å; W209-T213 HydrophobicContact CZ3-CG2 3.95Å; W209-T213 WeakPolarHBondContact O-CB 3.39Å; W209-T213 WeakPolarHBondContact O-CG2 3.31Å; W209-T213 PolarHBondContact O-N 3.22Å; W209-T213 PolarHBondContact O-OG1 2.99Å; L210-T213 PolarHBondContact O-N 3.17Å; T213-Y215 PolarHBondContact O-N 3.04Å; T213-Y215 VanDerWaalsContact O-N 3.09Å
214	M	85.3	Confident	85.4	Confident	145 Å²	145	94.1 Å²	94.1	71%	0.714	46%	0.462	S	S	*	.			trans	-79.5	19	-176.7	-71.7	-66	-60.1	0	0	114.6	L210 S216	L210-M214 HydrophobicContact CB-CG 4.4Å; L210-M214 HydrophobicContact CD2-CG 4.15Å; L210-M214 WeakPolarHBondContact O-CB 3.41Å; L210-M214 WeakPolarHBondContact O-CG 3.41Å; L210-M214 PolarHBondContact O-N 2.88Å; M214-S216 PolarHBondContact O-N 3.39Å
215	Y	69.6	Low	84.8	Confident	85 Å²	85	97.6 Å²	97.6	33%	0.333	48%	0.478	S	S	.	.			trans	-75.3	115.1	169.8	-57.5	-75.6	0	0	0	110.1	A97 V98 R183 M187 Q211 L212 T213	A97-Y215 HydrophobicContact CB-CD1 4.03Å; A97-Y215 WeakPolarHBondContact O-CE1 3.3Å; V98-Y215 HydrophobicContact CG1-CD1 4.44Å; V98-Y215 HydrophobicContact CG1-CG 4.1Å; R183-Y215 PolarHBondContact NH2-O 3.28Å; M187-Y215 HydrophobicContact CE-CD2 4.39Å; Q211-Y215 VanDerWaalsContact O-CE2 3.24Å; Q211-Y215 WeakPolarHBondContact O-CE2 3.18Å; L212-Y215 WeakPolarHBondContact O-CD2 3.48Å; L212-Y215 VanDerWaalsContact O-CE2 3.27Å; L212-Y215 WeakPolarHBondContact O-CE2 3.21Å; T213-Y215 PolarHBondContact O-N 3.04Å; T213-Y215 VanDerWaalsContact O-N 3.09Å
216	S	49.4	Very low	84	Confident	83 Å²	83	98.6 Å²	98.6	58%	0.58	48%	0.479	S	S	*	.			trans	-76.1	0	168.6	56	0	0	0	0	109.6	S94 R183 M214	S94-S216 WeakPolarHBondContact CA-O 3.46Å; S94-S216 WeakPolarHBondContact CB-O 3.31Å; S94-S216 VanDerWaalsContact CB-OXT 3.28Å; S94-S216 WeakPolarHBondContact CB-OXT 3.5Å; S94-S216 PolarHBondContact N-O 3.47Å; S94-S216 VanDerWaalsContact OG-C 3.25Å; S94-S216 PolarHBondContact OG-O 2.57Å; S94-S216 PolarHBondContact OG-OXT 3.5Å; R183-S216 PolarHBondContact NH1-OXT 3.18Å; M214-S216 PolarHBondContact O-N 3.39Å

Retrieved 216 of 216 residues in 339.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).