G4VKX2_SCHMA Loading...

4a-hydroxytetrahydrobiopterin dehydratase AlphaSync

AlphaFold DB , UniProt , Accession G4VKX2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 135 aa.

						>G4VKX2_SCHMA|G4VKX2
MATLLKYCGTLTNVIHSRNATVLSSSRKRKMPLLTGPEREQMLPPLLNIHHWELCQHSSREAIRRSFLFKDFDVAFDFMKKIAEKSKVMNHHPEWFNVYNKVDILLTSHDAGGLSRRDIDLANFINDAAFEYQAK
					

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	44.8	Very low	50.1	Low	247 Å²	247	151.3 Å²	151.3	100%	1.217	84%	0.838	S	S	*	*				0	91.9	0	-81.3	-70	-158.7	0	0	108.6
2	A	48.3	Very low	50.5	Low	103 Å²	103	148.8 Å²	148.8	85%	0.851	83%	0.83	S	S	*	*			trans	171.9	99.4	155.9	0	0	0	0	0	107.3
3	T	45.6	Very low	50.3	Low	125 Å²	125	149.4 Å²	149.4	77%	0.767	83%	0.831	S	S	*	*			trans	-85	176.6	-179.7	-47.1	0	0	0	0	109.6
4	L	51	Low	50.9	Low	142 Å²	142	147 Å²	147	74%	0.743	82%	0.822	S	S	*	*			trans	94.6	134	154.5	-55	122.5	0	0	0	115
5	L	52.3	Low	51.3	Low	132 Å²	132	147.3 Å²	147.3	69%	0.691	82%	0.819	S	S	*	*			cis	-168.1	139.6	-1.8	-110.5	169	0	0	0	106.6	Y7	L5-Y7 PolarHBondContact O-N 2.88Å
6	K	48	Very low	51.6	Low	207 Å²	207	147.6 Å²	147.6	90%	0.9	81%	0.811	S	S	*	*			trans	-70.5	120.8	167.3	-69.7	178.1	175.7	-178.2	0	108.7
7	Y	53.5	Low	51.6	Low	220 Å²	220	145.2 Å²	145.2	86%	0.863	81%	0.808	S	S	*	*			trans	-96.5	111.3	166.3	-114.5	-93	0	0	0	109.3	L5	L5-Y7 PolarHBondContact O-N 2.88Å
8	C	46.5	Very low	52	Low	126 Å²	126	149.2 Å²	149.2	85%	0.851	81%	0.808	S	S	*	*			trans	-87.1	102.9	168.4	-178.7	0	0	0	0	107.5
9	G	57.2	Low	52	Low	62 Å²	62	149.8 Å²	149.8	64%	0.639	81%	0.811	S	S	*	*			trans	-105.7	112.1	176	0	0	0	0	0	110.7	L11	G9-L11 PolarHBondContact O-N 2.88Å
10	T	48.9	Very low	52.4	Low	139 Å²	139	146.7 Å²	146.7	85%	0.853	81%	0.806	S	S	*	*			trans	-68.5	107.2	171.5	-26.6	0	0	0	0	108.6
11	L	54.5	Low	52.5	Low	161 Å²	161	146 Å²	146	84%	0.843	81%	0.807	S	S	*	*			trans	-93.9	118.5	172.2	-81.8	164.7	0	0	0	109.7	G9	G9-L11 PolarHBondContact O-N 2.88Å
12	T	55.4	Low	53.2	Low	121 Å²	121	140.5 Å²	140.5	74%	0.742	79%	0.787	S	S	*	*			trans	-57.6	129.2	173.5	34.6	0	0	0	0	111.2	V14	T12-V14 PolarHBondContact O-N 2.81Å
13	N	48.3	Very low	53.6	Low	157 Å²	157	143.5 Å²	143.5	84%	0.84	79%	0.788	S	S	*	*			trans	-68.8	99.3	171	-79.7	-34.7	0	0	0	109.8
14	V	58.9	Low	54.1	Low	116 Å²	116	142.6 Å²	142.6	70%	0.703	79%	0.786	S	S	*	*			trans	-92.9	97.4	159.8	179.5	0	0	0	0	107.1	T12 H16	T12-V14 PolarHBondContact O-N 2.81Å; V14-H16 PolarHBondContact O-N 3.47Å
15	I	57	Low	54.4	Low	152 Å²	152	140.8 Å²	140.8	78%	0.779	79%	0.786	S	S	*	*			trans	-72.1	97.2	173.3	-60.2	175.5	0	0	0	107.3	S17	I15-S17 PolarHBondContact O-N 3.01Å
16	H	55	Low	54.6	Low	151 Å²	151	139.8 Å²	139.8	70%	0.699	79%	0.789	S	S	*	*			trans	-84.4	103.9	166.2	-125.4	60.9	0	0	0	108	V14 R18	V14-H16 PolarHBondContact O-N 3.47Å; H16-R18 VanDerWaalsContact C-N 3.32Å; H16-R18 PolarHBondContact O-N 2.85Å
17	S	52.3	Low	55.3	Low	107 Å²	107	141.1 Å²	141.1	75%	0.748	79%	0.789	S	S	*	*			trans	-67.7	89.1	173	59.7	0	0	0	0	109.6	I15	I15-S17 PolarHBondContact O-N 3.01Å
18	R	58	Low	55.8	Low	218 Å²	218	139.4 Å²	139.4	82%	0.823	79%	0.786	S	S	*	*			trans	-83.2	111.6	165.3	-75.6	-175.5	165	-173.4	-3.5	107.7	H16 A20	H16-R18 VanDerWaalsContact C-N 3.32Å; H16-R18 PolarHBondContact O-N 2.85Å; R18-A20 VanDerWaalsContact C-N 3.27Å; R18-A20 PolarHBondContact O-N 2.82Å
19	N	53.2	Low	56.9	Low	161 Å²	161	145 Å²	145	86%	0.861	79%	0.789	S	S	*	*			trans	-57	93.7	163.6	-80.3	-24.9	0	0	0	108.3	T21	N19-T21 PolarHBondContact O-N 3.07Å
20	A	60.1	Low	58.1	Low	86 Å²	86	149.7 Å²	149.7	71%	0.711	79%	0.792	S	S	*	*			trans	-76.8	100.8	169.7	0	0	0	0	0	107.2	R18 V22	R18-A20 VanDerWaalsContact C-N 3.27Å; R18-A20 PolarHBondContact O-N 2.82Å; A20-V22 PolarHBondContact O-N 3.11Å
21	T	53.2	Low	60	Low	134 Å²	134	146.2 Å²	146.2	82%	0.822	77%	0.767	S	S	*	*			trans	-56.9	106.9	165.9	-20.5	0	0	0	0	107.2	N19 L23	N19-T21 PolarHBondContact O-N 3.07Å; T21-L23 PolarHBondContact O-N 3.38Å
22	V	59.8	Low	61.9	Low	131 Å²	131	142.9 Å²	142.9	79%	0.794	76%	0.755	S	S	*	*			trans	-65.5	98	175.9	178.4	0	0	0	0	107.1	A20 S24	A20-V22 PolarHBondContact O-N 3.11Å; V22-S24 PolarHBondContact O-N 3.07Å
23	L	57.8	Low	63.9	Low	166 Å²	166	141.4 Å²	141.4	87%	0.869	74%	0.742	S	S	*	*			trans	-61.8	103.8	165.2	-75	164	0	0	0	106.7	T21 S25	T21-L23 PolarHBondContact O-N 3.38Å; L23-S25 PolarHBondContact O-N 3.14Å
24	S	55.3	Low	66.3	Low	106 Å²	106	134.5 Å²	134.5	74%	0.741	71%	0.705	S	S	*	*			trans	-59.8	113.3	176.9	72.7	0	0	0	0	108.3	V22 S26	V22-S24 PolarHBondContact O-N 3.07Å; S24-S26 PolarHBondContact O-N 3.46Å; S24-S26 VanDerWaalsContact O-N 3.08Å
25	S	58.4	Low	68.1	Low	104 Å²	104	132.4 Å²	132.4	73%	0.727	69%	0.693	S	S	*	*			trans	-59.6	117.4	171.9	69	0	0	0	0	107.7	L23 R27	L23-S25 PolarHBondContact O-N 3.14Å; S25-R27 PolarHBondContact O-N 3.11Å
26	S	56.1	Low	70	Confident	110 Å²	110	127 Å²	127	77%	0.769	68%	0.675	S	S	*	*			trans	-53.3	110.7	167.8	177.7	0	0	0	0	107.4	S24 K28	S24-S26 PolarHBondContact O-N 3.46Å; S24-S26 VanDerWaalsContact O-N 3.08Å; S26-K28 PolarHBondContact O-N 3.05Å
27	R	62.2	Low	72.1	Confident	235 Å²	235	124.2 Å²	124.2	89%	0.887	67%	0.67	S	S	*	*			trans	-69.8	87	-176.8	-147.6	177.2	-164.9	-172.7	4	106	S25 R29	S25-R27 PolarHBondContact O-N 3.11Å; R27-R29 PolarHBondContact O-N 2.84Å
28	K	63.7	Low	74.3	Confident	185 Å²	185	122 Å²	122	80%	0.804	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-48.7	117.3	175.6	-85.8	-172.5	177.9	-179.3	0	106.8	S26 K30	S26-K28 PolarHBondContact O-N 3.05Å; K28-K30 PolarHBondContact O-N 2.91Å
29	R	70.8	Confident	76.2	Confident	242 Å²	242	115.3 Å²	115.3	91%	0.913	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-57.1	118.2	177.4	-76.1	179.2	60.3	142.5	-1.4	106.9	R27 M31	R27-R29 PolarHBondContact O-N 2.84Å; R29-M31 PolarHBondContact O-N 3.28Å
30	K	81	Confident	78.3	Confident	161 Å²	161	114.9 Å²	114.9	70%	0.7	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-57.5	138.3	171.5	-69.7	-179.9	167.2	-162.1	0	108	K28 D110	K28-K30 PolarHBondContact O-N 2.91Å; K30-D110 VanDerWaalsContact CD-O 3.28Å; K30-D110 WeakPolarHBondContact CD-O 3.21Å; K30-D110 WeakPolarHBondContact CG-O 3.44Å
31	M	88.9	Confident	80.1	Confident	66 Å²	66	117.6 Å²	117.6	33%	0.325	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-59.3	132.5	169.6	-173	63.4	60.3	0	0	108.6	R29 A111 R117	R29-M31 PolarHBondContact O-N 3.28Å; M31-A111 HydrophobicContact CB-CB 4.49Å; M31-A111 WeakPolarHBondContact O-CA 3.42Å; M31-A111 WeakPolarHBondContact O-CB 3.43Å; M31-R117 HydrophobicContact CE-CG 4.07Å
32	P	95.3	Very high	82.3	Confident	92 Å²	92	112.2 Å²	112.2	60%	0.597	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-66.3	150.7	174.9	28	-35.2	0	0	0	111.1	S115	P32-S115 VanDerWaalsContact O-CB 3.3Å; P32-S115 WeakPolarHBondContact O-CB 3.48Å
33	L	97	Very high	84.1	Confident	89 Å²	89	106.5 Å²	106.5	47%	0.466	54%	0.544	S	S	.	.	P	Polyproline II helix	trans	-64.8	154.6	163.7	-67.7	170.5	0	0	0	109.6	T35 A111 L114	L33-T35 PolarHBondContact O-N 2.5Å; L33-A111 HydrophobicContact CD2-CB 3.95Å; L33-A111 HydrophobicContact CG-CB 4.44Å; L33-L114 WeakPolarHBondContact CA-O 3.3Å
34	L	97.8	Very high	86	Confident	12 Å²	12	101 Å²	101	6%	0.063	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-57.9	128.3	170.2	-63.9	172.8	0	0	0	110.3	E38 R39 M42 L114 R116 I119	L34-E38 HydrophobicContact CB-CB 4.39Å; L34-E38 HydrophobicContact CD2-CB 4.12Å; L34-R39 HydrophobicContact CB-CG 3.56Å; L34-R39 HydrophobicContact CD1-CG 4.27Å; L34-M42 HydrophobicContact CD2-SD 4.02Å; L34-L114 HydrophobicContact CD1-CB 3.89Å; L34-L114 HydrophobicContact CG-CB 4.4Å; L34-L114 PolarHBondContact N-O 2.64Å; L34-R116 HydrophobicContact CD2-CB 4.41Å; L34-I119 HydrophobicContact CD1-CD1 3.89Å; L34-I119 HydrophobicContact CD1-CG1 3.81Å; L34-I119 HydrophobicContact CD2-CG1 4.18Å
35	T	97.4	Very high	88.1	Confident	73 Å²	73	98.4 Å²	98.4	45%	0.448	50%	0.499	S	S	.	.	P	Polyproline II helix	trans	-70.6	164.1	171.3	61.9	0	0	0	0	111.3	L33 E38 R39	L33-T35 PolarHBondContact O-N 2.5Å; T35-E38 WeakPolarHBondContact CB-OE2 3.38Å; T35-E38 WeakPolarHBondContact CG2-OE2 3.39Å; T35-E38 PolarHBondContact N-OE2 2.83Å; T35-E38 PolarHBondContact O-N 2.82Å; T35-E38 WeakPolarHBondContact OG1-CB 3.18Å; T35-E38 WeakPolarHBondContact OG1-CG 3.4Å; T35-E38 PolarHBondContact OG1-N 3.48Å; T35-E38 PolarHBondContact OG1-OE2 2.94Å; T35-R39 VanDerWaalsContact O-CG 3.23Å; T35-R39 WeakPolarHBondContact O-CG 3.17Å; T35-R39 PolarHBondContact O-N 2.86Å
36	G	97.6	Very high	90	Very high	39 Å²	39	93.5 Å²	93.5	40%	0.402	46%	0.464	S	S	.	.	H	α-helix	trans	-49.6	-54.6	175.2	0	0	0	0	0	113.3	E38 R39 E40	G36-E38 VanDerWaalsContact C-N 3.35Å; G36-E38 PolarHBondContact O-N 3.3Å; G36-R39 WeakPolarHBondContact O-CB 3.22Å; G36-R39 PolarHBondContact O-N 3.26Å; G36-R39 VanDerWaalsContact O-N 3.14Å; G36-E40 WeakPolarHBondContact O-CG 3.34Å; G36-E40 PolarHBondContact O-N 3.31Å
37	P	98	Very high	92	Very high	92 Å²	92	90.4 Å²	90.4	60%	0.597	44%	0.439	S	S	*	.	H	α-helix	trans	-59.7	-40.2	177.6	-26.8	36	0	0	0	113.8	R39 E40 Q41	P37-R39 VanDerWaalsContact C-N 3.33Å; P37-R39 PolarHBondContact O-N 3.06Å; P37-E40 PolarHBondContact O-N 2.89Å; P37-Q41 WeakPolarHBondContact O-CB 3.44Å; P37-Q41 PolarHBondContact O-N 2.8Å
38	E	98.1	Very high	93.7	Very high	60 Å²	60	85.1 Å²	85.1	28%	0.28	43%	0.429	S	S	.	.	H	α-helix	trans	-64.4	-39.5	176.8	-70.4	172.2	129.2	0	0	111.5	L34 T35 G36 Q41 M42	L34-E38 HydrophobicContact CB-CB 4.39Å; L34-E38 HydrophobicContact CD2-CB 4.12Å; T35-E38 WeakPolarHBondContact CB-OE2 3.38Å; T35-E38 WeakPolarHBondContact CG2-OE2 3.39Å; T35-E38 PolarHBondContact N-OE2 2.83Å; T35-E38 PolarHBondContact O-N 2.82Å; T35-E38 WeakPolarHBondContact OG1-CB 3.18Å; T35-E38 WeakPolarHBondContact OG1-CG 3.4Å; T35-E38 PolarHBondContact OG1-N 3.48Å; T35-E38 PolarHBondContact OG1-OE2 2.94Å; G36-E38 VanDerWaalsContact C-N 3.35Å; G36-E38 PolarHBondContact O-N 3.3Å; E38-Q41 PolarHBondContact O-N 2.94Å; E38-M42 HydrophobicContact CB-CE 3.61Å; E38-M42 HydrophobicContact CB-SD 4.01Å; E38-M42 HydrophobicContact CG-CE 3.56Å; E38-M42 WeakPolarHBondContact O-CB 3.02Å; E38-M42 WeakPolarHBondContact O-CG 3.38Å; E38-M42 PolarHBondContact O-N 3.44Å
39	R	98.1	Very high	95.3	Very high	77 Å²	77	81.6 Å²	81.6	29%	0.291	42%	0.417	S	S	.	.	H	α-helix	trans	-64.1	-47.1	176.7	-67.1	168.6	74.1	100.9	7.8	111.4	L34 T35 G36 P37 Q41 M42 L43 P44 E61	L34-R39 HydrophobicContact CB-CG 3.56Å; L34-R39 HydrophobicContact CD1-CG 4.27Å; T35-R39 VanDerWaalsContact O-CG 3.23Å; T35-R39 WeakPolarHBondContact O-CG 3.17Å; T35-R39 PolarHBondContact O-N 2.86Å; G36-R39 WeakPolarHBondContact O-CB 3.22Å; G36-R39 PolarHBondContact O-N 3.26Å; G36-R39 VanDerWaalsContact O-N 3.14Å; P37-R39 VanDerWaalsContact C-N 3.33Å; P37-R39 PolarHBondContact O-N 3.06Å; R39-Q41 PolarHBondContact O-N 2.86Å; R39-M42 PolarHBondContact O-N 3.08Å; R39-L43 HydrophobicContact CB-CD1 3.95Å; R39-L43 HydrophobicContact CG-CD1 4.2Å; R39-L43 WeakPolarHBondContact O-CB 3.17Å; R39-L43 PolarHBondContact O-N 3.48Å; R39-L43 VanDerWaalsContact O-N 3.09Å; R39-P44 WeakPolarHBondContact O-CD 3.38Å; R39-E61 IonicContact CZ-OE1 2.88Å; R39-E61 IonicContact CZ-OE2 2.66Å; R39-E61 IonicContact NH1-OE1 3.57Å; R39-E61 PolarHBondContact NH1-OE1 3.02Å; R39-E61 IonicContact NH1-OE2 2.73Å; R39-E61 IonicContact NH2-OE1 3.31Å; R39-E61 PolarHBondContact NH2-OE1 3.43Å; R39-E61 IonicContact NH2-OE2 2.58Å; R39-E61 PolarHBondContact NH2-OE2 3.24Å
40	E	97.8	Very high	96.5	Very high	153 Å²	153	73.4 Å²	73.4	72%	0.715	39%	0.389	S	S	*	.	H	α-helix	trans	-59.3	-34.9	178	-73.1	169.8	-163.2	0	0	112	G36 P37 P44	G36-E40 WeakPolarHBondContact O-CG 3.34Å; G36-E40 PolarHBondContact O-N 3.31Å; P37-E40 PolarHBondContact O-N 2.89Å; E40-P44 WeakPolarHBondContact O-CD 3.2Å; E40-P44 VanDerWaalsContact O-CG 3.25Å; E40-P44 WeakPolarHBondContact O-CG 3.32Å
41	Q	98	Very high	97.3	Very high	143 Å²	143	70.9 Å²	70.9	67%	0.668	38%	0.38	S	S	*	.	H	α-helix	trans	-82.3	-43	178.6	-172.6	-177.1	9.6	0	0	113.3	P37 E38 R39	P37-Q41 WeakPolarHBondContact O-CB 3.44Å; P37-Q41 PolarHBondContact O-N 2.8Å; E38-Q41 PolarHBondContact O-N 2.94Å; R39-Q41 PolarHBondContact O-N 2.86Å
42	M	98.3	Very high	97.8	Very high	21 Å²	21	68 Å²	68	10%	0.103	37%	0.365	C	S	.	.	H	α-helix	trans	-98	-29.2	-162.2	-62.2	171.8	-160	0	0	114.5	L34 E38 R39 R116 I119	L34-M42 HydrophobicContact CD2-SD 4.02Å; E38-M42 HydrophobicContact CB-CE 3.61Å; E38-M42 HydrophobicContact CB-SD 4.01Å; E38-M42 HydrophobicContact CG-CE 3.56Å; E38-M42 WeakPolarHBondContact O-CB 3.02Å; E38-M42 WeakPolarHBondContact O-CG 3.38Å; E38-M42 PolarHBondContact O-N 3.44Å; R39-M42 PolarHBondContact O-N 3.08Å; M42-R116 PolarHBondContact SD-NH1 2.84Å; M42-I119 HydrophobicContact CB-CD1 4.37Å; M42-I119 HydrophobicContact CB-CG1 4.25Å; M42-I119 HydrophobicContact CB-CG2 3.93Å; M42-I119 HydrophobicContact CG-CG2 4.37Å; M42-I119 HydrophobicContact SD-CG1 4.4Å; M42-I119 HydrophobicContact SD-CG2 4.37Å
43	L	98.4	Very high	97.9	Very high	10 Å²	10	69.8 Å²	69.8	5%	0.052	37%	0.365	C	S	.	.	H	α-helix	trans	-76.2	-42.6	-178.7	-67.2	174.3	0	0	0	113.3	R39 L46 L47 L54 I63 L114 I119	R39-L43 HydrophobicContact CB-CD1 3.95Å; R39-L43 HydrophobicContact CG-CD1 4.2Å; R39-L43 WeakPolarHBondContact O-CB 3.17Å; R39-L43 PolarHBondContact O-N 3.48Å; R39-L43 VanDerWaalsContact O-N 3.09Å; L43-L46 WeakPolarHBondContact O-CB 3.38Å; L43-L46 PolarHBondContact O-N 2.96Å; L43-L47 HydrophobicContact CB-CD1 4.14Å; L43-L47 HydrophobicContact CB-CG 4.41Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 3.12Å; L43-L54 HydrophobicContact CD1-CD2 4.39Å; L43-I63 HydrophobicContact CD2-CG2 4.37Å; L43-L114 HydrophobicContact CD2-CD1 4.08Å; L43-I119 HydrophobicContact CD2-CD1 3.75Å
44	P	98.3	Very high	98	Very high	51 Å²	51	69.1 Å²	69.1	33%	0.331	36%	0.362	S	S	.	.	H	α-helix	trans	-55.5	-40.6	-172	-27.1	35.2	0	0	0	115.1	R39 E40 L46 L47 N48	R39-P44 WeakPolarHBondContact O-CD 3.38Å; E40-P44 WeakPolarHBondContact O-CD 3.2Å; E40-P44 VanDerWaalsContact O-CG 3.25Å; E40-P44 WeakPolarHBondContact O-CG 3.32Å; P44-L46 PolarHBondContact O-N 3.31Å; P44-L47 PolarHBondContact O-N 3.17Å; P44-N48 WeakPolarHBondContact O-CB 3.42Å; P44-N48 PolarHBondContact O-N 2.97Å; P44-N48 PolarHBondContact O-ND2 2.81Å
45	P	98	Very high	98	Very high	52 Å²	52	70.3 Å²	70.3	34%	0.338	37%	0.371	S	S	.	.	H	α-helix	trans	-61.1	-43.4	174.3	-23.9	35.2	0	0	0	112.8	L47 I49 H50	P45-L47 PolarHBondContact O-N 3.47Å; P45-I49 HydrophobicContact CB-CD1 4.44Å; P45-I49 VanDerWaalsContact O-CB 3.29Å; P45-I49 WeakPolarHBondContact O-CB 3.29Å; P45-I49 PolarHBondContact O-N 3.4Å; P45-I49 VanDerWaalsContact O-N 3.08Å; P45-H50 PolarHBondContact O-CD2 3.43Å; P45-H50 VanDerWaalsContact O-CD2 3.31Å; P45-H50 PolarHBondContact O-N 3.39Å
46	L	98.5	Very high	97.9	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-62.3	-44.6	178.4	-66.7	178.3	0	0	0	111.6	L43 P44 H50 H51 W52 I63 I119 A122 N123 N126	L43-L46 WeakPolarHBondContact O-CB 3.38Å; L43-L46 PolarHBondContact O-N 2.96Å; P44-L46 PolarHBondContact O-N 3.31Å; L46-H50 CarbonylContact O-C 3.33Å; L46-H50 PolarHBondContact O-N 3.26Å; L46-H51 PolarHBondContact O-N 3.04Å; L46-H51 VanDerWaalsContact O-N 3.14Å; L46-W52 HydrophobicContact CB-CB 4.2Å; L46-W52 HydrophobicContact CB-CG 4.27Å; L46-W52 WeakPolarHBondContact O-CB 3.45Å; L46-W52 PolarHBondContact O-N 3.41Å; L46-I63 HydrophobicContact CD1-CD1 4.01Å; L46-I119 HydrophobicContact CD1-CD1 3.63Å; L46-I119 HydrophobicContact CD1-CG2 4.38Å; L46-A122 HydrophobicContact CD1-CB 3.89Å; L46-A122 HydrophobicContact CD2-CB 3.82Å; L46-N123 WeakPolarHBondContact CD2-OD1 3.4Å; L46-N126 WeakPolarHBondContact CD2-ND2 3.41Å
47	L	98.2	Very high	97.7	Very high	46 Å²	46	73.5 Å²	73.5	24%	0.241	37%	0.37	C	S	.	.	H	α-helix	trans	-77.3	-45.3	-174.7	-55.8	-178.1	0	0	0	112.5	L43 P44 P45 W52 L54	L43-L47 HydrophobicContact CB-CD1 4.14Å; L43-L47 HydrophobicContact CB-CG 4.41Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 3.12Å; P44-L47 PolarHBondContact O-N 3.17Å; P45-L47 PolarHBondContact O-N 3.47Å; L47-W52 WeakPolarHBondContact CA-O 3.18Å; L47-W52 HydrophobicContact CD2-CB 4.26Å; L47-W52 WeakPolarHBondContact CD2-O 3.42Å; L47-L54 HydrophobicContact CD1-CD1 3.76Å; L47-L54 HydrophobicContact CD1-CG 4Å; L47-L54 HydrophobicContact CD2-CG 4.06Å
48	N	98	Very high	97.4	Very high	124 Å²	124	73.4 Å²	73.4	66%	0.663	37%	0.372	S	S	*	.	H	α-helix	trans	-90.5	-26.9	-168.9	-58.9	-22.5	0	0	0	113.3	P44	P44-N48 WeakPolarHBondContact O-CB 3.42Å; P44-N48 PolarHBondContact O-N 2.97Å; P44-N48 PolarHBondContact O-ND2 2.81Å
49	I	97.2	Very high	97	Very high	111 Å²	111	76.3 Å²	76.3	57%	0.569	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-47.8	-176	-54.1	173.6	0	0	0	110.4	P45	P45-I49 HydrophobicContact CB-CD1 4.44Å; P45-I49 VanDerWaalsContact O-CB 3.29Å; P45-I49 WeakPolarHBondContact O-CB 3.29Å; P45-I49 PolarHBondContact O-N 3.4Å; P45-I49 VanDerWaalsContact O-N 3.08Å
50	H	97.3	Very high	96.8	Very high	70 Å²	70	73.9 Å²	73.9	32%	0.324	39%	0.39	S	S	.	.	S	Bend	trans	-94.9	6	-174.5	-57.9	-66.8	0	0	0	113.8	P45 L46 W52 N126	P45-H50 PolarHBondContact O-CD2 3.43Å; P45-H50 VanDerWaalsContact O-CD2 3.31Å; P45-H50 PolarHBondContact O-N 3.39Å; L46-H50 CarbonylContact O-C 3.33Å; L46-H50 PolarHBondContact O-N 3.26Å; H50-W52 PolarHBondContact O-N 3.36Å; H50-W52 VanDerWaalsContact O-N 3.12Å; H50-N126 WeakPolarHBondContact CB-ND2 3.24Å; H50-N126 PolarHBondContact CD2-ND2 2.94Å
51	H	97.5	Very high	96.8	Very high	108 Å²	108	68.7 Å²	68.7	50%	0.5	37%	0.365	S	S	.	.			trans	56.7	28.8	172.8	-49.9	-63.4	0	0	0	114.7	L46 R65	L46-H51 PolarHBondContact O-N 3.04Å; L46-H51 VanDerWaalsContact O-N 3.14Å; H51-R65 VanDerWaalsContact CB-CZ 3.48Å; H51-R65 WeakPolarHBondContact O-CD 3.2Å; H51-R65 PolarHBondContact O-NH1 3.22Å
52	W	98.5	Very high	96.8	Very high	4 Å²	4	61.9 Å²	61.9	2%	0.015	33%	0.333	C	S	.	.			trans	-70.6	151.1	165.1	-70.2	76.7	0	0	0	109.5	L46 L47 H50 I63 R64 R65 F67 I104 L106 A122 I125 N126	L46-W52 HydrophobicContact CB-CB 4.2Å; L46-W52 HydrophobicContact CB-CG 4.27Å; L46-W52 WeakPolarHBondContact O-CB 3.45Å; L46-W52 PolarHBondContact O-N 3.41Å; L47-W52 WeakPolarHBondContact CA-O 3.18Å; L47-W52 HydrophobicContact CD2-CB 4.26Å; L47-W52 WeakPolarHBondContact CD2-O 3.42Å; H50-W52 PolarHBondContact O-N 3.36Å; H50-W52 VanDerWaalsContact O-N 3.12Å; W52-I63 HydrophobicContact CD2-CD1 4.32Å; W52-I63 HydrophobicContact CE3-CB 3.93Å; W52-I63 HydrophobicContact CE3-CD1 3.89Å; W52-I63 HydrophobicContact CE3-CG1 3.81Å; W52-I63 HydrophobicContact CZ3-CD1 4.28Å; W52-I63 HydrophobicContact CZ3-CG1 4.12Å; W52-R64 CarbonylContact C-O 3.56Å; W52-R64 WeakPolarHBondContact CA-O 3.47Å; W52-R64 VanDerWaalsContact CE3-C 3.47Å; W52-R65 HydrophobicContact CD2-CB 3.53Å; W52-R65 HydrophobicContact CD2-CG 4.41Å; W52-R65 HydrophobicContact CE3-CB 3.59Å; W52-R65 HydrophobicContact CG-CB 4.05Å; W52-R65 HydrophobicContact CH2-CB 4.07Å; W52-R65 HydrophobicContact CZ2-CB 4.01Å; W52-R65 HydrophobicContact CZ3-CB 3.86Å; W52-F67 HydrophobicContact CZ2-CE2 4.41Å; W52-F67 HydrophobicContact CZ2-CZ 4.14Å; W52-I104 HydrophobicContact CH2-CB 4.5Å; W52-I104 HydrophobicContact CH2-CG2 4.13Å; W52-I104 HydrophobicContact CZ3-CG2 4.45Å; W52-L106 HydrophobicContact CH2-CD1 3.69Å; W52-L106 HydrophobicContact CH2-CG 4.15Å; W52-L106 HydrophobicContact CZ3-CD1 3.86Å; W52-L106 HydrophobicContact CZ3-CG 4.03Å; W52-A122 HydrophobicContact CD2-CB 4.42Å; W52-A122 HydrophobicContact CH2-CB 4.23Å; W52-A122 HydrophobicContact CZ2-CB 3.85Å; W52-I125 HydrophobicContact CH2-CD1 4.11Å; W52-I125 HydrophobicContact CH2-CG2 4.31Å; W52-I125 HydrophobicContact CZ2-CB 4.16Å; W52-I125 HydrophobicContact CZ2-CD1 4.45Å; W52-I125 HydrophobicContact CZ2-CG2 3.87Å; W52-N126 PolarHBondContact NE1-OD1 3.35Å
53	E	98.5	Very high	96.8	Very high	130 Å²	130	60.9 Å²	60.9	61%	0.607	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.9	-180	-64.7	176.4	-179.9	0	0	109.9	I63 R64	E53-I63 CarbonylContact O-C 3.55Å; E53-I63 VanDerWaalsContact O-CA 3.24Å; E53-I63 WeakPolarHBondContact O-CA 3.48Å; E53-R64 PolarHBondContact N-O 3.31Å; E53-R64 PolarHBondContact O-N 3.41Å
54	L	98.1	Very high	96.8	Very high	76 Å²	76	65.5 Å²	65.5	40%	0.398	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	131.9	166.6	-77.1	168.9	0	0	0	109.5	L43 L47 E61 I63 L114	L43-L54 HydrophobicContact CD1-CD2 4.39Å; L47-L54 HydrophobicContact CD1-CD1 3.76Å; L47-L54 HydrophobicContact CD1-CG 4Å; L47-L54 HydrophobicContact CD2-CG 4.06Å; L54-E61 HydrophobicContact CD2-CG 4.2Å; L54-I63 HydrophobicContact CD2-CG2 3.82Å; L54-L114 HydrophobicContact CD2-CD1 3.71Å
55	C	97.9	Very high	96.8	Very high	37 Å²	37	65.2 Å²	65.2	25%	0.25	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	168.4	176.4	62.2	0	0	0	0	112.1	A62	C55-A62 PolarHBondContact N-O 3.06Å; C55-A62 PolarHBondContact O-N 3.48Å
56	Q	96.1	Very high	96.9	Very high	133 Å²	133	64.9 Å²	64.9	62%	0.621	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	131.3	170.6	-68.7	-62.9	-49.8	0	0	109.5	R60	Q56-R60 CarbonylContact C-O 3.5Å; Q56-R60 WeakPolarHBondContact CA-O 3.38Å; Q56-R60 PolarHBondContact OE1-O 2.78Å
57	H	93.2	Very high	96.9	Very high	46 Å²	46	65.3 Å²	65.3	21%	0.213	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	110.8	178	178.7	87.3	0	0	0	109.9	S59 R60 A62 E94 L105	H57-S59 VanDerWaalsContact C-N 3.32Å; H57-S59 PolarHBondContact O-N 2.86Å; H57-R60 PolarHBondContact CD2-NH2 3.48Å; H57-R60 PolarHBondContact N-O 2.96Å; H57-R60 WeakPolarHBondContact O-CB 3.38Å; H57-R60 WeakPolarHBondContact O-CG 3.27Å; H57-R60 PolarHBondContact O-N 2.87Å; H57-A62 HydrophobicContact CB-CB 4.03Å; H57-E94 IonicContact CD2-OE1 3.86Å; H57-E94 IonicContact CD2-OE2 3.91Å; H57-E94 IonicContact CE1-OE2 3.21Å; H57-E94 PolarHBondContact CE1-OE2 3Å; H57-E94 IonicContact ND1-OE2 3.77Å; H57-E94 IonicContact NE2-OE1 3.27Å; H57-E94 IonicContact NE2-OE2 3.76Å; H57-E94 PolarHBondContact NE2-OE2 2.85Å; H57-L105 HydrophobicContact CB-CD1 3.92Å; H57-L105 HydrophobicContact CB-CD2 4.27Å
58	S	90.7	Very high	96.9	Very high	89 Å²	89	66.8 Å²	66.8	62%	0.622	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	47.3	178.6	-54.4	0	0	0	0	113.1	R60	S58-R60 VanDerWaalsContact C-N 3.3Å; S58-R60 PolarHBondContact O-N 3.4Å
59	S	90.6	Very high	96.9	Very high	121 Å²	121	61.2 Å²	61.2	85%	0.846	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	12.9	-175.3	73.7	0	0	0	0	117	H57	H57-S59 VanDerWaalsContact C-N 3.32Å; H57-S59 PolarHBondContact O-N 2.86Å
60	R	93.7	Very high	97	Very high	27 Å²	27	64.3 Å²	64.3	10%	0.102	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149	178.6	-43.8	179.6	-74.9	161.7	-8.7	109.8	Q56 H57 S58 E94 T107 H109	Q56-R60 CarbonylContact C-O 3.5Å; Q56-R60 WeakPolarHBondContact CA-O 3.38Å; Q56-R60 PolarHBondContact OE1-O 2.78Å; H57-R60 PolarHBondContact CD2-NH2 3.48Å; H57-R60 PolarHBondContact N-O 2.96Å; H57-R60 WeakPolarHBondContact O-CB 3.38Å; H57-R60 WeakPolarHBondContact O-CG 3.27Å; H57-R60 PolarHBondContact O-N 2.87Å; S58-R60 VanDerWaalsContact C-N 3.3Å; S58-R60 PolarHBondContact O-N 3.4Å; R60-E94 IonicContact NH2-OE1 3.18Å; R60-E94 PolarHBondContact NH2-OE1 2.86Å; R60-T107 VanDerWaalsContact NH1-CG2 3.32Å; R60-H109 VanDerWaalsContact CZ-CE1 3.42Å; R60-H109 PolarHBondContact NH1-CD2 3.35Å; R60-H109 VanDerWaalsContact NH1-CD2 3.28Å; R60-H109 PolarHBondContact NH1-CE1 2.9Å; R60-H109 PolarHBondContact NH1-ND1 2.8Å; R60-H109 PolarHBondContact NH1-NE2 2.91Å; R60-H109 PolarHBondContact NH2-CE1 3Å; R60-H109 PolarHBondContact NH2-NE2 2.77Å
61	E	97.4	Very high	97.1	Very high	43 Å²	43	62.6 Å²	62.6	20%	0.201	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	140.2	166.4	-167.5	178	62.5	0	0	111	R39 L54 T107 G113 L114	R39-E61 IonicContact CZ-OE1 2.88Å; R39-E61 IonicContact CZ-OE2 2.66Å; R39-E61 IonicContact NH1-OE1 3.57Å; R39-E61 PolarHBondContact NH1-OE1 3.02Å; R39-E61 IonicContact NH1-OE2 2.73Å; R39-E61 IonicContact NH2-OE1 3.31Å; R39-E61 PolarHBondContact NH2-OE1 3.43Å; R39-E61 IonicContact NH2-OE2 2.58Å; R39-E61 PolarHBondContact NH2-OE2 3.24Å; L54-E61 HydrophobicContact CD2-CG 4.2Å; E61-T107 WeakPolarHBondContact O-CB 3.24Å; E61-T107 PolarHBondContact O-OG1 2.92Å; E61-G113 WeakPolarHBondContact O-CA 3.47Å; E61-L114 HydrophobicContact CB-CG 4.48Å; E61-L114 HydrophobicContact CG-CD1 3.99Å; E61-L114 HydrophobicContact CG-CG 4.13Å; E61-L114 WeakPolarHBondContact OE1-CD1 3.29Å
62	A	98.5	Very high	97.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165.4	178.8	0	0	0	0	0	110.5	C55 H57 L105 L106 T107	C55-A62 PolarHBondContact N-O 3.06Å; C55-A62 PolarHBondContact O-N 3.48Å; H57-A62 HydrophobicContact CB-CB 4.03Å; A62-L105 HydrophobicContact CB-CD1 4.4Å; A62-L105 HydrophobicContact CB-CD2 3.89Å; A62-L105 HydrophobicContact CB-CG 4.03Å; A62-L106 VanDerWaalsContact CA-O 3.27Å; A62-L106 WeakPolarHBondContact CA-O 3.49Å; A62-L106 WeakPolarHBondContact CB-O 3.32Å; A62-T107 HydrophobicContact CB-CG2 4.29Å
63	I	98.8	Very high	97.1	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	145.2	164.6	55.5	177	0	0	0	109.6	L43 L46 W52 E53 L54 L105 L106 L114 A122	L43-I63 HydrophobicContact CD2-CG2 4.37Å; L46-I63 HydrophobicContact CD1-CD1 4.01Å; W52-I63 HydrophobicContact CD2-CD1 4.32Å; W52-I63 HydrophobicContact CE3-CB 3.93Å; W52-I63 HydrophobicContact CE3-CD1 3.89Å; W52-I63 HydrophobicContact CE3-CG1 3.81Å; W52-I63 HydrophobicContact CZ3-CD1 4.28Å; W52-I63 HydrophobicContact CZ3-CG1 4.12Å; E53-I63 CarbonylContact O-C 3.55Å; E53-I63 VanDerWaalsContact O-CA 3.24Å; E53-I63 WeakPolarHBondContact O-CA 3.48Å; L54-I63 HydrophobicContact CD2-CG2 3.82Å; I63-L105 CarbonylContact O-C 3.59Å; I63-L105 WeakPolarHBondContact O-CA 3.13Å; I63-L106 HydrophobicContact CD1-CB 4.37Å; I63-L106 HydrophobicContact CD1-CD1 4.21Å; I63-L106 HydrophobicContact CG1-CB 3.85Å; I63-L106 HydrophobicContact CG1-CD1 4.44Å; I63-L106 PolarHBondContact N-O 3.39Å; I63-L106 PolarHBondContact O-N 3.44Å; I63-L114 HydrophobicContact CG1-CD2 4.16Å; I63-L114 HydrophobicContact CG2-CD1 3.93Å; I63-L114 HydrophobicContact CG2-CD2 4.16Å; I63-A122 HydrophobicContact CD1-CB 3.76Å
64	R	98.7	Very high	97.1	Very high	107 Å²	107	62.1 Å²	62.1	40%	0.404	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.4	179.9	-166.5	179.6	-167.8	161.9	4.5	111.5	W52 E53 I104 L105	W52-R64 CarbonylContact C-O 3.56Å; W52-R64 WeakPolarHBondContact CA-O 3.47Å; W52-R64 VanDerWaalsContact CE3-C 3.47Å; E53-R64 PolarHBondContact N-O 3.31Å; E53-R64 PolarHBondContact O-N 3.41Å; R64-I104 CarbonylContact C-O 3.58Å; R64-I104 VanDerWaalsContact CA-O 3.24Å; R64-I104 WeakPolarHBondContact CA-O 2.96Å; R64-I104 WeakPolarHBondContact CG-O 3.43Å; R64-L105 HydrophobicContact CG-CB 4.48Å
65	R	98.5	Very high	97.2	Very high	46 Å²	46	58.5 Å²	58.5	17%	0.174	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	144.5	169.5	-179.5	65.5	-164.7	157.5	0.3	110.9	H51 W52 F67 I104 K135	H51-R65 VanDerWaalsContact CB-CZ 3.48Å; H51-R65 WeakPolarHBondContact O-CD 3.2Å; H51-R65 PolarHBondContact O-NH1 3.22Å; W52-R65 HydrophobicContact CD2-CB 3.53Å; W52-R65 HydrophobicContact CD2-CG 4.41Å; W52-R65 HydrophobicContact CE3-CB 3.59Å; W52-R65 HydrophobicContact CG-CB 4.05Å; W52-R65 HydrophobicContact CH2-CB 4.07Å; W52-R65 HydrophobicContact CZ2-CB 4.01Å; W52-R65 HydrophobicContact CZ3-CB 3.86Å; R65-F67 HydrophobicContact CB-CE2 3.8Å; R65-F67 HydrophobicContact CB-CZ 3.97Å; R65-F67 HydrophobicContact CG-CD1 4.4Å; R65-F67 HydrophobicContact CG-CD2 4.11Å; R65-F67 HydrophobicContact CG-CE1 3.81Å; R65-F67 HydrophobicContact CG-CE2 3.46Å; R65-F67 VanDerWaalsContact CG-CE2 3.46Å; R65-F67 HydrophobicContact CG-CZ 3.3Å; R65-I104 PolarHBondContact N-O 3.27Å; R65-I104 PolarHBondContact O-N 3.24Å; R65-K135 PolarHBondContact NH2-OXT 2.99Å
66	S	98.6	Very high	97.2	Very high	44 Å²	44	61.2 Å²	61.2	31%	0.308	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	136.1	171.5	-59.2	0	0	0	0	109.6	D103	S66-D103 WeakPolarHBondContact CB-OD1 3.44Å; S66-D103 PolarHBondContact OG-OD1 2.94Å
67	F	98.7	Very high	97.3	Very high	10 Å²	10	57.8 Å²	57.8	4%	0.044	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	136.6	177.4	-61	-85.9	0	0	0	109.9	W52 R65 F69 F78 K101 V102 I104 I125 A129 A134	W52-F67 HydrophobicContact CZ2-CE2 4.41Å; W52-F67 HydrophobicContact CZ2-CZ 4.14Å; R65-F67 HydrophobicContact CB-CE2 3.8Å; R65-F67 HydrophobicContact CB-CZ 3.97Å; R65-F67 HydrophobicContact CG-CD1 4.4Å; R65-F67 HydrophobicContact CG-CD2 4.11Å; R65-F67 HydrophobicContact CG-CE1 3.81Å; R65-F67 HydrophobicContact CG-CE2 3.46Å; R65-F67 VanDerWaalsContact CG-CE2 3.46Å; R65-F67 HydrophobicContact CG-CZ 3.3Å; F67-F69 HydrophobicContact CB-CE2 3.59Å; F67-F69 HydrophobicContact CB-CZ 3.78Å; F67-F78 HydrophobicContact CD2-CE1 4.29Å; F67-F78 AromaticContact CD2-CZ 3.97Å; F67-F78 HydrophobicContact CD2-CZ 3.97Å; F67-F78 HydrophobicContact CE2-CZ 4.22Å; F67-F78 HydrophobicContact CG-CE1 4.48Å; F67-F78 HydrophobicContact CG-CZ 4.12Å; F67-K101 WeakPolarHBondContact O-CA 3.35Å; F67-V102 PolarHBondContact N-O 3.42Å; F67-V102 PolarHBondContact O-N 3.19Å; F67-I104 HydrophobicContact CD2-CD1 4Å; F67-I104 HydrophobicContact CE2-CD1 3.88Å; F67-I125 HydrophobicContact CE1-CG2 4.38Å; F67-I125 HydrophobicContact CE2-CG2 3.64Å; F67-I125 HydrophobicContact CZ-CG2 3.47Å; F67-I125 VanDerWaalsContact CZ-CG2 3.47Å; F67-A129 HydrophobicContact CD1-CB 3.62Å; F67-A129 HydrophobicContact CE1-CB 3.43Å; F67-A129 VanDerWaalsContact CE1-CB 3.43Å; F67-A129 HydrophobicContact CZ-CB 4.35Å; F67-A134 HydrophobicContact CB-CB 4.23Å; F67-A134 HydrophobicContact CD1-CB 3.94Å
68	L	98.6	Very high	97.6	Very high	76 Å²	76	55.6 Å²	55.6	40%	0.398	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	126	175.2	-171.4	72.4	0	0	0	110.7	N100 K101 A134 K135	L68-N100 WeakPolarHBondContact CD1-ND2 3.38Å; L68-K101 HydrophobicContact CD1-CB 4.36Å; L68-A134 WeakPolarHBondContact O-CA 3.34Å; L68-K135 HydrophobicContact CB-CB 4.38Å; L68-K135 PolarHBondContact N-O 3.22Å; L68-K135 PolarHBondContact O-N 3.18Å
69	F	98.7	Very high	98	Very high	8 Å²	8	52.1 Å²	52.1	4%	0.035	26%	0.26	C	S	.	.			trans	-109	173.8	-179.5	-60.5	-82.7	0	0	0	111.5	F67 V74 A75 F78 N100 V102 A134	F67-F69 HydrophobicContact CB-CE2 3.59Å; F67-F69 HydrophobicContact CB-CZ 3.78Å; F69-V74 HydrophobicContact CB-CB 4.32Å; F69-V74 HydrophobicContact CB-CG1 4.16Å; F69-V74 HydrophobicContact CD1-CG1 3.78Å; F69-V74 HydrophobicContact CG-CG1 4.31Å; F69-A75 HydrophobicContact CB-CB 4.06Å; F69-A75 HydrophobicContact CD2-CB 3.57Å; F69-A75 HydrophobicContact CE2-CB 4.32Å; F69-A75 HydrophobicContact CG-CB 3.98Å; F69-F78 HydrophobicContact CE1-CB 3.86Å; F69-F78 HydrophobicContact CE1-CD1 4.21Å; F69-F78 HydrophobicContact CE1-CD2 4.14Å; F69-F78 AromaticContact CE1-CG 3.84Å; F69-F78 HydrophobicContact CE1-CG 3.84Å; F69-F78 HydrophobicContact CE2-CB 4.47Å; F69-F78 AromaticContact CE2-CD1 3.64Å; F69-F78 HydrophobicContact CE2-CD1 3.64Å; F69-F78 AromaticContact CE2-CE1 3.92Å; F69-F78 HydrophobicContact CE2-CE1 3.92Å; F69-F78 HydrophobicContact CE2-CG 4.12Å; F69-F78 HydrophobicContact CZ-CB 3.76Å; F69-F78 AromaticContact CZ-CD1 3.26Å; F69-F78 HydrophobicContact CZ-CD1 3.26Å; F69-F78 AromaticContact CZ-CD2 3.78Å; F69-F78 HydrophobicContact CZ-CD2 3.78Å; F69-F78 AromaticContact CZ-CE1 3.58Å; F69-F78 HydrophobicContact CZ-CE1 3.58Å; F69-F78 HydrophobicContact CZ-CE2 4.07Å; F69-F78 AromaticContact CZ-CG 3.32Å; F69-F78 HydrophobicContact CZ-CG 3.32Å; F69-F78 AromaticContact CZ-CZ 3.94Å; F69-F78 HydrophobicContact CZ-CZ 3.94Å; F69-N100 HydrophobicContact CB-CB 4.5Å; F69-N100 PolarHBondContact N-O 3.33Å; F69-N100 WeakPolarHBondContact O-CB 3.49Å; F69-N100 PolarHBondContact O-ND2 3.43Å; F69-V102 HydrophobicContact CD2-CG2 4.17Å; F69-V102 HydrophobicContact CE2-CB 4.2Å; F69-V102 HydrophobicContact CE2-CG2 3.78Å; F69-A134 HydrophobicContact CD1-CB 4.07Å; F69-A134 HydrophobicContact CE1-CB 3.5Å; F69-A134 HydrophobicContact CZ-CB 3.83Å
70	K	98.4	Very high	98.4	Very high	176 Å²	176	51.1 Å²	51.1	77%	0.765	24%	0.241	S	C	*	.	S	Bend	trans	-62.1	-46.4	177.3	-177.1	-172.5	171.9	-160.7	0	112.1	V74	K70-V74 HydrophobicContact CB-CG2 4.5Å
71	D	98.6	Very high	98.6	Very high	34 Å²	34	52.2 Å²	52.2	18%	0.182	25%	0.246	C	C	.	.	S	Bend	trans	-156	-177	-174.3	50.5	43.8	0	0	0	109.7	D73 V74 A75	D71-D73 PolarHBondContact OD1-N 3.01Å; D71-V74 WeakPolarHBondContact OD1-CG2 3.25Å; D71-V74 PolarHBondContact OD1-N 2.95Å; D71-A75 PolarHBondContact O-N 2.97Å
72	F	98.7	Very high	98.7	Very high	77 Å²	77	50.2 Å²	50.2	34%	0.338	24%	0.237	S	C	.	.	H	α-helix	trans	-68.1	-36.9	-179.8	176.7	-103.2	0	0	0	113.1	V74 A75 F76 Y99	F72-V74 PolarHBondContact O-N 2.9Å; F72-A75 PolarHBondContact O-N 3.29Å; F72-F76 HydrophobicContact CE1-CB 4.39Å; F72-F76 HydrophobicContact CE2-CD2 4.39Å; F72-F76 HydrophobicContact CZ-CB 4.36Å; F72-F76 AromaticContact CZ-CD2 3.91Å; F72-F76 HydrophobicContact CZ-CD2 3.91Å; F72-F76 HydrophobicContact CZ-CG 4.32Å; F72-F76 WeakPolarHBondContact O-CB 3.49Å; F72-F76 PolarHBondContact O-N 2.63Å; F72-Y99 HydrophobicContact CB-CD2 3.65Å; F72-Y99 HydrophobicContact CB-CE2 3.73Å; F72-Y99 HydrophobicContact CB-CG 4.44Å
73	D	98.6	Very high	98.7	Very high	116 Å²	116	52.5 Å²	52.5	62%	0.62	26%	0.256	S	S	*	.	H	α-helix	trans	-63.9	-45.6	-176.4	-66.6	-21.2	0	0	0	110.4	D71 F76 D77	D71-D73 PolarHBondContact OD1-N 3.01Å; D73-F76 PolarHBondContact O-N 3.36Å; D73-D77 PolarHBondContact O-N 3.36Å
74	V	98.7	Very high	98.7	Very high	38 Å²	38	59 Å²	59	23%	0.23	29%	0.286	C	S	.	.	H	α-helix	trans	-64	-42.4	175.6	179.6	0	0	0	0	111.6	F69 K70 D71 F72 F76 D77 F78 Y132	F69-V74 HydrophobicContact CB-CB 4.32Å; F69-V74 HydrophobicContact CB-CG1 4.16Å; F69-V74 HydrophobicContact CD1-CG1 3.78Å; F69-V74 HydrophobicContact CG-CG1 4.31Å; K70-V74 HydrophobicContact CB-CG2 4.5Å; D71-V74 WeakPolarHBondContact OD1-CG2 3.25Å; D71-V74 PolarHBondContact OD1-N 2.95Å; F72-V74 PolarHBondContact O-N 2.9Å; V74-F76 VanDerWaalsContact C-N 3.32Å; V74-F76 PolarHBondContact O-N 3.33Å; V74-D77 PolarHBondContact O-N 3.09Å; V74-F78 PolarHBondContact O-N 2.66Å; V74-Y132 HydrophobicContact CG1-CD1 4.15Å
75	A	98.8	Very high	98.7	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-41.8	177.3	0	0	0	0	0	111.9	F69 D71 F72 F78 M79 V102	F69-A75 HydrophobicContact CB-CB 4.06Å; F69-A75 HydrophobicContact CD2-CB 3.57Å; F69-A75 HydrophobicContact CE2-CB 4.32Å; F69-A75 HydrophobicContact CG-CB 3.98Å; D71-A75 PolarHBondContact O-N 2.97Å; F72-A75 PolarHBondContact O-N 3.29Å; A75-F78 WeakPolarHBondContact O-CB 3.43Å; A75-F78 PolarHBondContact O-N 3.09Å; A75-M79 VanDerWaalsContact O-CG 3.29Å; A75-M79 WeakPolarHBondContact O-CG 3.39Å; A75-M79 PolarHBondContact O-N 3.47Å; A75-V102 HydrophobicContact CB-CG2 4.04Å
76	F	98.8	Very high	98.7	Very high	94 Å²	94	55.2 Å²	55.2	41%	0.412	27%	0.274	S	S	.	.	H	α-helix	trans	-72.4	-35.1	-179.6	-161.6	-98.4	0	0	0	112.2	F72 D73 V74 M79 K80	F72-F76 HydrophobicContact CE1-CB 4.39Å; F72-F76 HydrophobicContact CE2-CD2 4.39Å; F72-F76 HydrophobicContact CZ-CB 4.36Å; F72-F76 AromaticContact CZ-CD2 3.91Å; F72-F76 HydrophobicContact CZ-CD2 3.91Å; F72-F76 HydrophobicContact CZ-CG 4.32Å; F72-F76 WeakPolarHBondContact O-CB 3.49Å; F72-F76 PolarHBondContact O-N 2.63Å; D73-F76 PolarHBondContact O-N 3.36Å; V74-F76 VanDerWaalsContact C-N 3.32Å; V74-F76 PolarHBondContact O-N 3.33Å; F76-M79 WeakPolarHBondContact O-CB 3.43Å; F76-M79 PolarHBondContact O-N 2.99Å; F76-K80 HydrophobicContact CD1-CD 4.21Å; F76-K80 HydrophobicContact CD1-CG 4.19Å; F76-K80 HydrophobicContact CE1-CD 4.12Å; F76-K80 HydrophobicContact CE1-CG 4.07Å; F76-K80 WeakPolarHBondContact O-CG 3.45Å; F76-K80 PolarHBondContact O-N 3.13Å
77	D	98.7	Very high	98.7	Very high	62 Å²	62	61.1 Å²	61.1	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-45.2	171.9	-77.8	-14.1	0	0	0	112.2	D73 V74 M79 K80 K81 Y132	D73-D77 PolarHBondContact O-N 3.36Å; V74-D77 PolarHBondContact O-N 3.09Å; D77-M79 VanDerWaalsContact C-N 3.32Å; D77-M79 PolarHBondContact O-N 2.93Å; D77-K80 PolarHBondContact O-N 2.71Å; D77-K80 WeakPolarHBondContact OD1-CE 3.38Å; D77-K80 IonicContact OD1-NZ 2.97Å; D77-K80 PolarHBondContact OD1-NZ 2.97Å; D77-K81 PolarHBondContact O-N 3.29Å; D77-K81 VanDerWaalsContact O-N 3.12Å; D77-Y132 HydrophobicContact CB-CD1 4.36Å; D77-Y132 HydrophobicContact CB-CE1 3.61Å
78	F	98.8	Very high	98.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-56.1	-45.9	170.8	164	-101.6	0	0	0	112	F67 F69 V74 A75 K80 K81 I82 V102 I104 I125 A128 A129 Y132	F67-F78 HydrophobicContact CD2-CE1 4.29Å; F67-F78 AromaticContact CD2-CZ 3.97Å; F67-F78 HydrophobicContact CD2-CZ 3.97Å; F67-F78 HydrophobicContact CE2-CZ 4.22Å; F67-F78 HydrophobicContact CG-CE1 4.48Å; F67-F78 HydrophobicContact CG-CZ 4.12Å; F69-F78 HydrophobicContact CE1-CB 3.86Å; F69-F78 HydrophobicContact CE1-CD1 4.21Å; F69-F78 HydrophobicContact CE1-CD2 4.14Å; F69-F78 AromaticContact CE1-CG 3.84Å; F69-F78 HydrophobicContact CE1-CG 3.84Å; F69-F78 HydrophobicContact CE2-CB 4.47Å; F69-F78 AromaticContact CE2-CD1 3.64Å; F69-F78 HydrophobicContact CE2-CD1 3.64Å; F69-F78 AromaticContact CE2-CE1 3.92Å; F69-F78 HydrophobicContact CE2-CE1 3.92Å; F69-F78 HydrophobicContact CE2-CG 4.12Å; F69-F78 HydrophobicContact CZ-CB 3.76Å; F69-F78 AromaticContact CZ-CD1 3.26Å; F69-F78 HydrophobicContact CZ-CD1 3.26Å; F69-F78 AromaticContact CZ-CD2 3.78Å; F69-F78 HydrophobicContact CZ-CD2 3.78Å; F69-F78 AromaticContact CZ-CE1 3.58Å; F69-F78 HydrophobicContact CZ-CE1 3.58Å; F69-F78 HydrophobicContact CZ-CE2 4.07Å; F69-F78 AromaticContact CZ-CG 3.32Å; F69-F78 HydrophobicContact CZ-CG 3.32Å; F69-F78 AromaticContact CZ-CZ 3.94Å; F69-F78 HydrophobicContact CZ-CZ 3.94Å; V74-F78 PolarHBondContact O-N 2.66Å; A75-F78 WeakPolarHBondContact O-CB 3.43Å; A75-F78 PolarHBondContact O-N 3.09Å; F78-K80 PolarHBondContact O-N 2.89Å; F78-K81 WeakPolarHBondContact O-CB 3.43Å; F78-K81 PolarHBondContact O-N 2.89Å; F78-I82 HydrophobicContact CD1-CD1 3.92Å; F78-I82 HydrophobicContact CD2-CD1 4.19Å; F78-I82 HydrophobicContact CE1-CD1 3.42Å; F78-I82 VanDerWaalsContact CE1-CD1 3.42Å; F78-I82 HydrophobicContact CE2-CD1 3.7Å; F78-I82 HydrophobicContact CE2-CG1 4.44Å; F78-I82 HydrophobicContact CG-CD1 4.31Å; F78-I82 HydrophobicContact CZ-CD1 3.34Å; F78-I82 HydrophobicContact CZ-CG1 4.49Å; F78-I82 WeakPolarHBondContact O-CG1 3.27Å; F78-I82 PolarHBondContact O-N 2.95Å; F78-I82 VanDerWaalsContact O-N 3.15Å; F78-V102 HydrophobicContact CD1-CG2 4.38Å; F78-V102 HydrophobicContact CE1-CB 4.32Å; F78-V102 HydrophobicContact CE1-CG1 4.27Å; F78-I104 HydrophobicContact CE1-CD1 3.78Å; F78-I104 HydrophobicContact CZ-CD1 3.91Å; F78-I125 HydrophobicContact CE2-CG2 4.19Å; F78-I125 HydrophobicContact CZ-CG2 3.82Å; F78-A128 HydrophobicContact CD2-CB 3.96Å; F78-A128 HydrophobicContact CE2-CB 4Å; F78-A129 HydrophobicContact CE2-CB 3.89Å; F78-A129 HydrophobicContact CZ-CB 4.46Å; F78-Y132 HydrophobicContact CB-CD2 3.73Å; F78-Y132 HydrophobicContact CB-CE2 4.21Å; F78-Y132 HydrophobicContact CB-CG 4Å; F78-Y132 HydrophobicContact CD2-CD2 4.06Å; F78-Y132 HydrophobicContact CG-CD2 4.41Å
79	M	98.9	Very high	98.6	Very high	16 Å²	16	64.7 Å²	64.7	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-62	-42.1	177.4	-72.4	173.2	70.2	0	0	112.4	A75 F76 D77 K81 I82 A83 W95 N97 V102	A75-M79 VanDerWaalsContact O-CG 3.29Å; A75-M79 WeakPolarHBondContact O-CG 3.39Å; A75-M79 PolarHBondContact O-N 3.47Å; F76-M79 WeakPolarHBondContact O-CB 3.43Å; F76-M79 PolarHBondContact O-N 2.99Å; D77-M79 VanDerWaalsContact C-N 3.32Å; D77-M79 PolarHBondContact O-N 2.93Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 3.31Å; M79-I82 PolarHBondContact O-N 3.18Å; M79-A83 PolarHBondContact O-N 3.15Å; M79-W95 HydrophobicContact CB-CH2 3.57Å; M79-W95 HydrophobicContact CB-CZ2 4.36Å; M79-W95 HydrophobicContact CB-CZ3 3.65Å; M79-W95 HydrophobicContact CE-CD2 3.79Å; M79-W95 VanDerWaalsContact CE-CE2 3.5Å; M79-W95 HydrophobicContact CE-CE3 4.06Å; M79-W95 HydrophobicContact CE-CG 4.47Å; M79-W95 HydrophobicContact CE-CH2 3.85Å; M79-W95 HydrophobicContact CE-CZ2 3.54Å; M79-W95 HydrophobicContact CE-CZ3 4.09Å; M79-W95 HydrophobicContact CG-CE3 4.07Å; M79-W95 HydrophobicContact CG-CH2 3.98Å; M79-W95 HydrophobicContact CG-CZ3 3.66Å; M79-W95 WeakPolarHBondContact O-CH2 3.48Å; M79-N97 HydrophobicContact CE-CB 4.06Å; M79-N97 HydrophobicContact SD-CB 3.86Å; M79-V102 HydrophobicContact CG-CG1 4.09Å; M79-V102 HydrophobicContact CG-CG2 4.05Å; M79-V102 HydrophobicContact SD-CG1 4.24Å; M79-V102 HydrophobicContact SD-CG2 3.9Å
80	K	98.8	Very high	98.5	Very high	100 Å²	100	69.5 Å²	69.5	44%	0.435	34%	0.344	S	S	.	.	H	α-helix	trans	-58.1	-44.5	175.6	-75.4	-177	-62.3	-176.3	0	111.6	F76 D77 F78 I82 A83 E84	F76-K80 HydrophobicContact CD1-CD 4.21Å; F76-K80 HydrophobicContact CD1-CG 4.19Å; F76-K80 HydrophobicContact CE1-CD 4.12Å; F76-K80 HydrophobicContact CE1-CG 4.07Å; F76-K80 WeakPolarHBondContact O-CG 3.45Å; F76-K80 PolarHBondContact O-N 3.13Å; D77-K80 PolarHBondContact O-N 2.71Å; D77-K80 WeakPolarHBondContact OD1-CE 3.38Å; D77-K80 IonicContact OD1-NZ 2.97Å; D77-K80 PolarHBondContact OD1-NZ 2.97Å; F78-K80 PolarHBondContact O-N 2.89Å; K80-I82 VanDerWaalsContact C-N 3.31Å; K80-I82 PolarHBondContact O-N 2.58Å; K80-A83 WeakPolarHBondContact O-CB 3.45Å; K80-A83 PolarHBondContact O-N 3.39Å; K80-A83 VanDerWaalsContact O-N 3.11Å; K80-E84 WeakPolarHBondContact O-CG 3.49Å; K80-E84 PolarHBondContact O-N 3.22Å
81	K	98.7	Very high	98.5	Very high	50 Å²	50	61.7 Å²	61.7	22%	0.217	31%	0.31	C	S	.	.	H	α-helix	trans	-59.9	-41.3	177.7	-172.9	166.8	-173.4	140.4	0	112.2	D77 F78 M79 K85 F124 A128 E131 Y132	D77-K81 PolarHBondContact O-N 3.29Å; D77-K81 VanDerWaalsContact O-N 3.12Å; F78-K81 WeakPolarHBondContact O-CB 3.43Å; F78-K81 PolarHBondContact O-N 2.89Å; M79-K81 VanDerWaalsContact C-N 3.32Å; M79-K81 PolarHBondContact O-N 3.31Å; K81-K85 PolarHBondContact O-N 3.27Å; K81-F124 HydrophobicContact CD-CZ 4.49Å; K81-F124 HydrophobicContact CG-CE1 4.07Å; K81-F124 HydrophobicContact CG-CZ 3.74Å; K81-A128 HydrophobicContact CD-CB 3.98Å; K81-A128 HydrophobicContact CG-CB 4.42Å; K81-E131 IonicContact NZ-OE1 2.7Å; K81-E131 PolarHBondContact NZ-OE1 2.91Å; K81-E131 IonicContact NZ-OE2 3.54Å; K81-E131 PolarHBondContact NZ-OE2 2.97Å; K81-Y132 HydrophobicContact CB-CE2 4.18Å; K81-Y132 HydrophobicContact CD-CE2 3.66Å
82	I	98.8	Very high	98.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-65.6	-42.2	174.1	-64.5	169.7	0	0	0	111.3	F78 M79 K80 E84 K85 S86 P93 W95 I104 L121 I125	F78-I82 HydrophobicContact CD1-CD1 3.92Å; F78-I82 HydrophobicContact CD2-CD1 4.19Å; F78-I82 HydrophobicContact CE1-CD1 3.42Å; F78-I82 VanDerWaalsContact CE1-CD1 3.42Å; F78-I82 HydrophobicContact CE2-CD1 3.7Å; F78-I82 HydrophobicContact CE2-CG1 4.44Å; F78-I82 HydrophobicContact CG-CD1 4.31Å; F78-I82 HydrophobicContact CZ-CD1 3.34Å; F78-I82 HydrophobicContact CZ-CG1 4.49Å; F78-I82 WeakPolarHBondContact O-CG1 3.27Å; F78-I82 PolarHBondContact O-N 2.95Å; F78-I82 VanDerWaalsContact O-N 3.15Å; M79-I82 PolarHBondContact O-N 3.18Å; K80-I82 VanDerWaalsContact C-N 3.31Å; K80-I82 PolarHBondContact O-N 2.58Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 2.73Å; I82-K85 PolarHBondContact O-N 2.8Å; I82-S86 VanDerWaalsContact O-CB 3.26Å; I82-S86 WeakPolarHBondContact O-CB 3.43Å; I82-S86 PolarHBondContact O-N 3.47Å; I82-S86 PolarHBondContact O-OG 3.04Å; I82-P93 HydrophobicContact CG2-CG 4.02Å; I82-W95 HydrophobicContact CB-CZ3 4.04Å; I82-W95 HydrophobicContact CD1-CZ3 4.37Å; I82-W95 HydrophobicContact CG2-CZ3 4.01Å; I82-I104 HydrophobicContact CD1-CD1 3.69Å; I82-L121 HydrophobicContact CG2-CD1 4.5Å; I82-I125 HydrophobicContact CD1-CD1 4.37Å; I82-I125 HydrophobicContact CD1-CG1 3.75Å; I82-I125 HydrophobicContact CD1-CG2 4.24Å; I82-I125 HydrophobicContact CG1-CG1 3.85Å; I82-I125 HydrophobicContact CG2-CD1 4.41Å; I82-I125 HydrophobicContact CG2-CG1 4.32Å
83	A	98.8	Very high	98.5	Very high	48 Å²	48	62.9 Å²	62.9	40%	0.397	32%	0.317	S	S	.	.	H	α-helix	trans	-61.6	-41.2	180	0	0	0	0	0	112	M79 K80 S86 K87	M79-A83 PolarHBondContact O-N 3.15Å; K80-A83 WeakPolarHBondContact O-CB 3.45Å; K80-A83 PolarHBondContact O-N 3.39Å; K80-A83 VanDerWaalsContact O-N 3.11Å; A83-S86 PolarHBondContact O-N 3.25Å; A83-K87 WeakPolarHBondContact O-CB 3.44Å; A83-K87 PolarHBondContact O-N 3.35Å
84	E	98.7	Very high	98.4	Very high	136 Å²	136	60.1 Å²	60.1	64%	0.636	30%	0.3	S	S	*	.	H	α-helix	trans	-61.4	-47.8	174.8	-71.1	177.4	173.9	0	0	111.9	K80 I82 S86 K87 V88	K80-E84 WeakPolarHBondContact O-CG 3.49Å; K80-E84 PolarHBondContact O-N 3.22Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 2.73Å; E84-S86 PolarHBondContact O-N 3.43Å; E84-K87 PolarHBondContact O-N 2.98Å; E84-V88 WeakPolarHBondContact O-CG2 3.19Å; E84-V88 PolarHBondContact O-N 3.22Å
85	K	98.6	Very high	98.4	Very high	73 Å²	73	62.9 Å²	62.9	32%	0.317	31%	0.307	S	S	.	.	H	α-helix	trans	-63.2	-42.5	176.5	-176.5	65.7	172.1	-176	0	112.2	K81 I82 K87 V88 M89 L121 F124	K81-K85 PolarHBondContact O-N 3.27Å; I82-K85 PolarHBondContact O-N 2.8Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 PolarHBondContact O-N 3.42Å; K85-V88 PolarHBondContact O-N 3.12Å; K85-V88 VanDerWaalsContact O-N 3.14Å; K85-M89 HydrophobicContact CD-CG 4.29Å; K85-M89 HydrophobicContact CD-SD 4.08Å; K85-M89 VanDerWaalsContact CE-SD 3.52Å; K85-M89 HydrophobicContact CG-CG 4.33Å; K85-M89 HydrophobicContact CG-SD 3.77Å; K85-M89 WeakPolarHBondContact O-CG 3.45Å; K85-M89 PolarHBondContact O-N 3Å; K85-L121 HydrophobicContact CG-CD1 4.16Å; K85-F124 HydrophobicContact CB-CD1 3.72Å; K85-F124 HydrophobicContact CB-CD2 4.37Å; K85-F124 HydrophobicContact CB-CE1 3.38Å; K85-F124 HydrophobicContact CB-CE2 4.06Å; K85-F124 HydrophobicContact CB-CG 4.21Å; K85-F124 HydrophobicContact CB-CZ 3.55Å; K85-F124 HydrophobicContact CD-CD2 3.86Å; K85-F124 HydrophobicContact CD-CE2 3.94Å; K85-F124 HydrophobicContact CD-CG 4.14Å; K85-F124 HydrophobicContact CD-CZ 4.32Å; K85-F124 HydrophobicContact CG-CB 4.33Å; K85-F124 HydrophobicContact CG-CD1 3.63Å; K85-F124 HydrophobicContact CG-CD2 3.86Å; K85-F124 HydrophobicContact CG-CE1 3.81Å; K85-F124 HydrophobicContact CG-CE2 4.01Å; K85-F124 HydrophobicContact CG-CG 3.65Å; K85-F124 HydrophobicContact CG-CZ 3.98Å
86	S	98.6	Very high	98.4	Very high	1 Å²	1	68.7 Å²	68.7	1%	0.007	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-41.7	179.7	-61.7	0	0	0	0	111.4	I82 A83 E84 M89 N90 H91 P93	I82-S86 VanDerWaalsContact O-CB 3.26Å; I82-S86 WeakPolarHBondContact O-CB 3.43Å; I82-S86 PolarHBondContact O-N 3.47Å; I82-S86 PolarHBondContact O-OG 3.04Å; A83-S86 PolarHBondContact O-N 3.25Å; E84-S86 PolarHBondContact O-N 3.43Å; S86-M89 PolarHBondContact O-N 3.28Å; S86-N90 WeakPolarHBondContact O-CA 3.44Å; S86-N90 PolarHBondContact O-N 3.18Å; S86-H91 WeakPolarHBondContact CA-O 3.48Å; S86-H91 WeakPolarHBondContact CB-O 3.46Å; S86-H91 PolarHBondContact O-N 3.31Å; S86-H91 VanDerWaalsContact O-N 3.1Å; S86-H91 PolarHBondContact OG-O 3.11Å; S86-P93 WeakPolarHBondContact OG-CD 3.19Å
87	K	98.3	Very high	98.4	Very high	169 Å²	169	66.3 Å²	66.3	74%	0.735	32%	0.324	S	S	*	.	H	α-helix	trans	-60.5	-45	174.4	-179.2	-178.3	177.3	-177.3	0	111.8	A83 E84 K85 N90	A83-K87 WeakPolarHBondContact O-CB 3.44Å; A83-K87 PolarHBondContact O-N 3.35Å; E84-K87 PolarHBondContact O-N 2.98Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 PolarHBondContact O-N 3.42Å; K87-N90 PolarHBondContact O-N 2.97Å
88	V	98.1	Very high	98.4	Very high	122 Å²	122	67.3 Å²	67.3	74%	0.739	33%	0.332	S	S	*	.	H	α-helix	trans	-65.1	-41.8	178	174	0	0	0	0	111.4	E84 K85 N90	E84-V88 WeakPolarHBondContact O-CG2 3.19Å; E84-V88 PolarHBondContact O-N 3.22Å; K85-V88 PolarHBondContact O-N 3.12Å; K85-V88 VanDerWaalsContact O-N 3.14Å; V88-N90 VanDerWaalsContact C-N 3.27Å; V88-N90 PolarHBondContact O-N 2.88Å
89	M	97.3	Very high	98.4	Very high	39 Å²	39	74 Å²	74	19%	0.192	36%	0.358	C	S	.	.	H	α-helix	trans	-76.8	-14.3	179.5	-68	179.3	65.9	0	0	113.5	K85 S86 H91 R117 D120 L121	K85-M89 HydrophobicContact CD-CG 4.29Å; K85-M89 HydrophobicContact CD-SD 4.08Å; K85-M89 VanDerWaalsContact CE-SD 3.52Å; K85-M89 HydrophobicContact CG-CG 4.33Å; K85-M89 HydrophobicContact CG-SD 3.77Å; K85-M89 WeakPolarHBondContact O-CG 3.45Å; K85-M89 PolarHBondContact O-N 3Å; S86-M89 PolarHBondContact O-N 3.28Å; M89-H91 HydrophobicContact CB-CB 4.01Å; M89-H91 PolarHBondContact O-N 3.3Å; M89-R117 HydrophobicContact CE-CB 4.45Å; M89-R117 WeakPolarHBondContact CE-O 3.29Å; M89-D120 HydrophobicContact CE-CB 3.79Å; M89-L121 HydrophobicContact CE-CB 4Å; M89-L121 HydrophobicContact SD-CB 4.22Å; M89-L121 HydrophobicContact SD-CD1 4.17Å
90	N	97.2	Very high	98.4	Very high	109 Å²	109	75.2 Å²	75.2	58%	0.583	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.2	47.1	-164.4	-173.1	44.1	0	0	0	111.3	S86 K87 V88	S86-N90 WeakPolarHBondContact O-CA 3.44Å; S86-N90 PolarHBondContact O-N 3.18Å; K87-N90 PolarHBondContact O-N 2.97Å; V88-N90 VanDerWaalsContact C-N 3.27Å; V88-N90 PolarHBondContact O-N 2.88Å
91	H	97.6	Very high	98.4	Very high	12 Å²	12	74.6 Å²	74.6	6%	0.056	36%	0.362	C	S	.	.			trans	-144.3	119	-178.9	-167.3	54	0	0	0	108	S86 M89 S108 R117 D118	S86-H91 WeakPolarHBondContact CA-O 3.48Å; S86-H91 WeakPolarHBondContact CB-O 3.46Å; S86-H91 PolarHBondContact O-N 3.31Å; S86-H91 VanDerWaalsContact O-N 3.1Å; S86-H91 PolarHBondContact OG-O 3.11Å; M89-H91 HydrophobicContact CB-CB 4.01Å; M89-H91 PolarHBondContact O-N 3.3Å; H91-S108 PolarHBondContact CE1-OG 3Å; H91-R117 HydrophobicContact CB-CB 4.28Å; H91-R117 PolarHBondContact CD2-O 3.44Å; H91-D118 IonicContact CD2-OD1 2.84Å; H91-D118 IonicContact CE1-OD1 3.64Å; H91-D118 PolarHBondContact CE1-OD1 3.24Å; H91-D118 IonicContact NE2-OD1 2.95Å; H91-D118 PolarHBondContact NE2-OD1 2.89Å
92	H	98.4	Very high	98.4	Very high	113 Å²	113	72.2 Å²	72.2	52%	0.523	35%	0.352	S	S	.	.			trans	-118.7	138.8	-166.7	-54.6	84.8	0	0	0	109.8
93	P	98.6	Very high	98.4	Very high	22 Å²	22	72.8 Å²	72.8	14%	0.143	36%	0.355	C	S	.	.			trans	-71.7	155.5	174.6	31.5	-35.6	0	0	0	111.1	I82 S86 W95 I104 L106	I82-P93 HydrophobicContact CG2-CG 4.02Å; S86-P93 WeakPolarHBondContact OG-CD 3.19Å; P93-W95 HydrophobicContact CG-CD2 4.22Å; P93-W95 HydrophobicContact CG-CE3 4Å; P93-W95 HydrophobicContact CG-CZ3 4.34Å; P93-I104 HydrophobicContact CB-CG2 3.86Å; P93-L106 HydrophobicContact CB-CD2 3.72Å
94	E	98.4	Very high	98.4	Very high	58 Å²	58	70.5 Å²	70.5	27%	0.271	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	126.8	153.2	-63.7	-180	-150.7	0	0	106.9	H57 R60 L105 H109	H57-E94 IonicContact CD2-OE1 3.86Å; H57-E94 IonicContact CD2-OE2 3.91Å; H57-E94 IonicContact CE1-OE2 3.21Å; H57-E94 PolarHBondContact CE1-OE2 3Å; H57-E94 IonicContact ND1-OE2 3.77Å; H57-E94 IonicContact NE2-OE1 3.27Å; H57-E94 IonicContact NE2-OE2 3.76Å; H57-E94 PolarHBondContact NE2-OE2 2.85Å; R60-E94 IonicContact NH2-OE1 3.18Å; R60-E94 PolarHBondContact NH2-OE1 2.86Å; E94-L105 HydrophobicContact CB-CB 4.21Å; E94-L105 HydrophobicContact CB-CD2 4.2Å; E94-L105 HydrophobicContact CG-CD2 4.41Å; E94-L105 PolarHBondContact N-O 3.42Å; E94-L105 PolarHBondContact O-N 3.48Å; E94-H109 IonicContact OE1-CE1 3.95Å; E94-H109 IonicContact OE1-NE2 3.21Å; E94-H109 PolarHBondContact OE1-NE2 2.9Å
95	W	98.3	Very high	98.4	Very high	96 Å²	96	64.7 Å²	64.7	36%	0.364	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	158.6	-179.7	62.3	10.8	0	0	0	113.6	M79 I82 P93 V102 D103 I104	M79-W95 HydrophobicContact CB-CH2 3.57Å; M79-W95 HydrophobicContact CB-CZ2 4.36Å; M79-W95 HydrophobicContact CB-CZ3 3.65Å; M79-W95 HydrophobicContact CE-CD2 3.79Å; M79-W95 VanDerWaalsContact CE-CE2 3.5Å; M79-W95 HydrophobicContact CE-CE3 4.06Å; M79-W95 HydrophobicContact CE-CG 4.47Å; M79-W95 HydrophobicContact CE-CH2 3.85Å; M79-W95 HydrophobicContact CE-CZ2 3.54Å; M79-W95 HydrophobicContact CE-CZ3 4.09Å; M79-W95 HydrophobicContact CG-CE3 4.07Å; M79-W95 HydrophobicContact CG-CH2 3.98Å; M79-W95 HydrophobicContact CG-CZ3 3.66Å; M79-W95 WeakPolarHBondContact O-CH2 3.48Å; I82-W95 HydrophobicContact CB-CZ3 4.04Å; I82-W95 HydrophobicContact CD1-CZ3 4.37Å; I82-W95 HydrophobicContact CG2-CZ3 4.01Å; P93-W95 HydrophobicContact CG-CD2 4.22Å; P93-W95 HydrophobicContact CG-CE3 4Å; P93-W95 HydrophobicContact CG-CZ3 4.34Å; W95-V102 HydrophobicContact CE3-CG1 4.45Å; W95-D103 CarbonylContact C-O 3.51Å; W95-D103 WeakPolarHBondContact CA-O 3.44Å; W95-D103 WeakPolarHBondContact CB-O 3.23Å; W95-I104 HydrophobicContact CB-CG1 4.16Å; W95-I104 HydrophobicContact CE3-CG1 4.48Å
96	F	98.6	Very high	98.4	Very high	122 Å²	122	61.3 Å²	61.3	54%	0.535	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.9	172.5	176.2	-105.8	0	0	0	108.3	V98 D103	F96-V98 HydrophobicContact CD1-CG2 4.25Å; F96-V98 HydrophobicContact CE1-CB 4.5Å; F96-V98 HydrophobicContact CE1-CG2 3.32Å; F96-V98 HydrophobicContact CE2-CG2 4.18Å; F96-V98 HydrophobicContact CZ-CG2 3.28Å; F96-D103 HydrophobicContact CB-CB 4.39Å; F96-D103 PolarHBondContact N-O 3.15Å; F96-D103 PolarHBondContact O-N 3.01Å
97	N	98.7	Very high	98.4	Very high	44 Å²	44	61.5 Å²	61.5	24%	0.235	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.4	179.2	168	-113.1	0	0	0	110.2	M79 Y99 K101	M79-N97 HydrophobicContact CE-CB 4.06Å; M79-N97 HydrophobicContact SD-CB 3.86Å; N97-Y99 PolarHBondContact ND2-O 3.06Å; N97-K101 VanDerWaalsContact CA-O 3.32Å; N97-K101 WeakPolarHBondContact CA-O 3.45Å; N97-K101 PolarHBondContact ND2-O 3.14Å
98	V	98.7	Very high	98.3	Very high	84 Å²	84	53.4 Å²	53.4	51%	0.509	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	109.4	168.2	178.2	0	0	0	0	107.2	F96 N100 K101	F96-V98 HydrophobicContact CD1-CG2 4.25Å; F96-V98 HydrophobicContact CE1-CB 4.5Å; F96-V98 HydrophobicContact CE1-CG2 3.32Å; F96-V98 HydrophobicContact CE2-CG2 4.18Å; F96-V98 HydrophobicContact CZ-CG2 3.28Å; V98-N100 PolarHBondContact O-N 3.38Å; V98-N100 VanDerWaalsContact O-N 3.11Å; V98-K101 PolarHBondContact N-O 3.43Å; V98-K101 PolarHBondContact O-N 2.98Å
99	Y	98.5	Very high	98.1	Very high	141 Å²	141	53.7 Å²	53.7	55%	0.553	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	-115.2	-178.8	-168.5	-115.9	0	0	0	111.3	F72 N97 K101	F72-Y99 HydrophobicContact CB-CD2 3.65Å; F72-Y99 HydrophobicContact CB-CE2 3.73Å; F72-Y99 HydrophobicContact CB-CG 4.44Å; N97-Y99 PolarHBondContact ND2-O 3.06Å; Y99-K101 VanDerWaalsContact C-N 3.34Å; Y99-K101 PolarHBondContact O-N 3.47Å
100	N	98.6	Very high	97.9	Very high	41 Å²	41	54.8 Å²	54.8	22%	0.219	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	6	-176.4	71.6	-34	0	0	0	114.3	L68 F69 V98	L68-N100 WeakPolarHBondContact CD1-ND2 3.38Å; F69-N100 HydrophobicContact CB-CB 4.5Å; F69-N100 PolarHBondContact N-O 3.33Å; F69-N100 WeakPolarHBondContact O-CB 3.49Å; F69-N100 PolarHBondContact O-ND2 3.43Å; V98-N100 PolarHBondContact O-N 3.38Å; V98-N100 VanDerWaalsContact O-N 3.11Å
101	K	98.8	Very high	97.8	Very high	86 Å²	86	50.7 Å²	50.7	37%	0.374	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	130.7	179	-169.2	-173.3	-175.7	-133.2	0	111	F67 L68 N97 V98 Y99 D103	F67-K101 WeakPolarHBondContact O-CA 3.35Å; L68-K101 HydrophobicContact CD1-CB 4.36Å; N97-K101 VanDerWaalsContact CA-O 3.32Å; N97-K101 WeakPolarHBondContact CA-O 3.45Å; N97-K101 PolarHBondContact ND2-O 3.14Å; V98-K101 PolarHBondContact N-O 3.43Å; V98-K101 PolarHBondContact O-N 2.98Å; Y99-K101 VanDerWaalsContact C-N 3.34Å; Y99-K101 PolarHBondContact O-N 3.47Å; K101-D103 WeakPolarHBondContact CE-OD1 3.5Å; K101-D103 VanDerWaalsContact NZ-CG 3.26Å; K101-D103 IonicContact NZ-OD1 2.88Å; K101-D103 PolarHBondContact NZ-OD1 3.37Å; K101-D103 IonicContact NZ-OD2 2.81Å; K101-D103 PolarHBondContact NZ-OD2 2.92Å
102	V	98.9	Very high	97.7	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.9	173.8	-170.3	0	0	0	0	109.3	F67 F69 A75 F78 M79 W95 I104	F67-V102 PolarHBondContact N-O 3.42Å; F67-V102 PolarHBondContact O-N 3.19Å; F69-V102 HydrophobicContact CD2-CG2 4.17Å; F69-V102 HydrophobicContact CE2-CB 4.2Å; F69-V102 HydrophobicContact CE2-CG2 3.78Å; A75-V102 HydrophobicContact CB-CG2 4.04Å; F78-V102 HydrophobicContact CD1-CG2 4.38Å; F78-V102 HydrophobicContact CE1-CB 4.32Å; F78-V102 HydrophobicContact CE1-CG1 4.27Å; M79-V102 HydrophobicContact CG-CG1 4.09Å; M79-V102 HydrophobicContact CG-CG2 4.05Å; M79-V102 HydrophobicContact SD-CG1 4.24Å; M79-V102 HydrophobicContact SD-CG2 3.9Å; W95-V102 HydrophobicContact CE3-CG1 4.45Å; V102-I104 HydrophobicContact CG1-CD1 4.09Å; V102-I104 HydrophobicContact CG1-CG1 3.84Å
103	D	98.8	Very high	97.6	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.064	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	116.3	174.9	-64.7	-57.6	0	0	0	109	S66 W95 F96 K101	S66-D103 WeakPolarHBondContact CB-OD1 3.44Å; S66-D103 PolarHBondContact OG-OD1 2.94Å; W95-D103 CarbonylContact C-O 3.51Å; W95-D103 WeakPolarHBondContact CA-O 3.44Å; W95-D103 WeakPolarHBondContact CB-O 3.23Å; F96-D103 HydrophobicContact CB-CB 4.39Å; F96-D103 PolarHBondContact N-O 3.15Å; F96-D103 PolarHBondContact O-N 3.01Å; K101-D103 WeakPolarHBondContact CE-OD1 3.5Å; K101-D103 VanDerWaalsContact NZ-CG 3.26Å; K101-D103 IonicContact NZ-OD1 2.88Å; K101-D103 PolarHBondContact NZ-OD1 3.37Å; K101-D103 IonicContact NZ-OD2 2.81Å; K101-D103 PolarHBondContact NZ-OD2 2.92Å
104	I	98.8	Very high	97.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	135.6	-175.7	-61.9	169	0	0	0	110.5	W52 R64 R65 F67 F78 I82 P93 W95 V102 L106 I125	W52-I104 HydrophobicContact CH2-CB 4.5Å; W52-I104 HydrophobicContact CH2-CG2 4.13Å; W52-I104 HydrophobicContact CZ3-CG2 4.45Å; R64-I104 CarbonylContact C-O 3.58Å; R64-I104 VanDerWaalsContact CA-O 3.24Å; R64-I104 WeakPolarHBondContact CA-O 2.96Å; R64-I104 WeakPolarHBondContact CG-O 3.43Å; R65-I104 PolarHBondContact N-O 3.27Å; R65-I104 PolarHBondContact O-N 3.24Å; F67-I104 HydrophobicContact CD2-CD1 4Å; F67-I104 HydrophobicContact CE2-CD1 3.88Å; F78-I104 HydrophobicContact CE1-CD1 3.78Å; F78-I104 HydrophobicContact CZ-CD1 3.91Å; I82-I104 HydrophobicContact CD1-CD1 3.69Å; P93-I104 HydrophobicContact CB-CG2 3.86Å; W95-I104 HydrophobicContact CB-CG1 4.16Å; W95-I104 HydrophobicContact CE3-CG1 4.48Å; V102-I104 HydrophobicContact CG1-CD1 4.09Å; V102-I104 HydrophobicContact CG1-CG1 3.84Å; I104-L106 HydrophobicContact CG2-CD2 4Å; I104-L106 HydrophobicContact CG2-CG 4.18Å; I104-I125 HydrophobicContact CD1-CD1 4.36Å; I104-I125 HydrophobicContact CD1-CG2 4.07Å; I104-I125 HydrophobicContact CG2-CD1 4.14Å
105	L	98.7	Very high	97.6	Very high	15 Å²	15	43 Å²	43	8%	0.079	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	133.4	173.5	-176.3	150.8	0	0	0	109.8	H57 A62 I63 R64 E94 T107	H57-L105 HydrophobicContact CB-CD1 3.92Å; H57-L105 HydrophobicContact CB-CD2 4.27Å; A62-L105 HydrophobicContact CB-CD1 4.4Å; A62-L105 HydrophobicContact CB-CD2 3.89Å; A62-L105 HydrophobicContact CB-CG 4.03Å; I63-L105 CarbonylContact O-C 3.59Å; I63-L105 WeakPolarHBondContact O-CA 3.13Å; R64-L105 HydrophobicContact CG-CB 4.48Å; E94-L105 HydrophobicContact CB-CB 4.21Å; E94-L105 HydrophobicContact CB-CD2 4.2Å; E94-L105 HydrophobicContact CG-CD2 4.41Å; E94-L105 PolarHBondContact N-O 3.42Å; E94-L105 PolarHBondContact O-N 3.48Å; L105-T107 HydrophobicContact CD2-CG2 3.84Å
106	L	98.7	Very high	97.6	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.5	179.2	-56.4	177.8	0	0	0	111	W52 A62 I63 P93 I104 D118 L121 A122 I125	W52-L106 HydrophobicContact CH2-CD1 3.69Å; W52-L106 HydrophobicContact CH2-CG 4.15Å; W52-L106 HydrophobicContact CZ3-CD1 3.86Å; W52-L106 HydrophobicContact CZ3-CG 4.03Å; A62-L106 VanDerWaalsContact CA-O 3.27Å; A62-L106 WeakPolarHBondContact CA-O 3.49Å; A62-L106 WeakPolarHBondContact CB-O 3.32Å; I63-L106 HydrophobicContact CD1-CB 4.37Å; I63-L106 HydrophobicContact CD1-CD1 4.21Å; I63-L106 HydrophobicContact CG1-CB 3.85Å; I63-L106 HydrophobicContact CG1-CD1 4.44Å; I63-L106 PolarHBondContact N-O 3.39Å; I63-L106 PolarHBondContact O-N 3.44Å; P93-L106 HydrophobicContact CB-CD2 3.72Å; I104-L106 HydrophobicContact CG2-CD2 4Å; I104-L106 HydrophobicContact CG2-CG 4.18Å; L106-D118 HydrophobicContact CB-CB 4.18Å; L106-D118 WeakPolarHBondContact CD1-O 3.49Å; L106-L121 HydrophobicContact CD1-CB 4.35Å; L106-L121 HydrophobicContact CD1-CG 4.4Å; L106-L121 HydrophobicContact CD2-CD2 3.75Å; L106-L121 HydrophobicContact CD2-CG 4.25Å; L106-A122 HydrophobicContact CD1-CB 3.77Å; L106-I125 HydrophobicContact CD1-CD1 4.07Å; L106-I125 HydrophobicContact CD2-CD1 4.36Å
107	T	98.2	Very high	97.5	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.031	20%	0.198	C	C	.	.			trans	-161.8	150.6	171.8	-177.2	0	0	0	0	109.3	R60 E61 A62 L105 D118	R60-T107 VanDerWaalsContact NH1-CG2 3.32Å; E61-T107 WeakPolarHBondContact O-CB 3.24Å; E61-T107 PolarHBondContact O-OG1 2.92Å; A62-T107 HydrophobicContact CB-CG2 4.29Å; L105-T107 HydrophobicContact CD2-CG2 3.84Å; T107-D118 WeakPolarHBondContact CA-OD1 3.15Å; T107-D118 PolarHBondContact N-OD1 2.92Å
108	S	97.1	Very high	97.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-96.3	109.8	179.4	-64.4	0	0	0	0	111.2	H91 D110 A111 G112 G113 S115 D118	H91-S108 PolarHBondContact CE1-OG 3Å; S108-D110 PolarHBondContact O-N 3.48Å; S108-A111 PolarHBondContact O-N 3.43Å; S108-G112 PolarHBondContact O-N 3.23Å; S108-G113 WeakPolarHBondContact CA-O 3.3Å; S108-G113 VanDerWaalsContact CB-O 3.3Å; S108-G113 WeakPolarHBondContact CB-O 3.44Å; S108-G113 PolarHBondContact N-O 3.46Å; S108-G113 PolarHBondContact O-N 3.19Å; S108-S115 WeakPolarHBondContact OG-CB 3.17Å; S108-S115 PolarHBondContact OG-OG 3.36Å; S108-D118 WeakPolarHBondContact CB-OD2 3.36Å; S108-D118 PolarHBondContact N-OD1 3.17Å; S108-D118 PolarHBondContact N-OD2 3.07Å; S108-D118 PolarHBondContact OG-OD1 3.43Å; S108-D118 PolarHBondContact OG-OD2 3.32Å
109	H	93.8	Very high	97.5	Very high	128 Å²	128	33.3 Å²	33.3	59%	0.593	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-40.8	-178.7	-70.9	-100.1	0	0	0	113.8	R60 E94	R60-H109 VanDerWaalsContact CZ-CE1 3.42Å; R60-H109 PolarHBondContact NH1-CD2 3.35Å; R60-H109 VanDerWaalsContact NH1-CD2 3.28Å; R60-H109 PolarHBondContact NH1-CE1 2.9Å; R60-H109 PolarHBondContact NH1-ND1 2.8Å; R60-H109 PolarHBondContact NH1-NE2 2.91Å; R60-H109 PolarHBondContact NH2-CE1 3Å; R60-H109 PolarHBondContact NH2-NE2 2.77Å; E94-H109 IonicContact OE1-CE1 3.95Å; E94-H109 IonicContact OE1-NE2 3.21Å; E94-H109 PolarHBondContact OE1-NE2 2.9Å
110	D	93.2	Very high	97.5	Very high	62 Å²	62	29.6 Å²	29.6	33%	0.332	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-27.4	-179.4	60.4	-20	0	0	0	113	K30 S108 R117	K30-D110 VanDerWaalsContact CD-O 3.28Å; K30-D110 WeakPolarHBondContact CD-O 3.21Å; K30-D110 WeakPolarHBondContact CG-O 3.44Å; S108-D110 PolarHBondContact O-N 3.48Å; D110-R117 IonicContact OD1-CZ 3.93Å; D110-R117 IonicContact OD1-NH2 2.71Å; D110-R117 PolarHBondContact OD1-NH2 2.81Å; D110-R117 IonicContact OD2-CZ 3.78Å; D110-R117 IonicContact OD2-NH1 3.99Å; D110-R117 IonicContact OD2-NH2 2.79Å; D110-R117 PolarHBondContact OD2-NH2 2.93Å
111	A	94.8	Very high	97.5	Very high	22 Å²	22	27.6 Å²	27.6	18%	0.182	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-29.2	173.3	0	0	0	0	0	113	M31 L33 S108	M31-A111 HydrophobicContact CB-CB 4.49Å; M31-A111 WeakPolarHBondContact O-CA 3.42Å; M31-A111 WeakPolarHBondContact O-CB 3.43Å; L33-A111 HydrophobicContact CD2-CB 3.95Å; L33-A111 HydrophobicContact CG-CB 4.44Å; S108-A111 PolarHBondContact O-N 3.43Å
112	G	95	Very high	97.5	Very high	41 Å²	41	23.5 Å²	23.5	42%	0.423	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.8	20.2	-175.1	0	0	0	0	0	114.4	S108	S108-G112 PolarHBondContact O-N 3.23Å
113	G	97.3	Very high	97.5	Very high	2 Å²	2	26.2 Å²	26.2	2%	0.021	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	165.8	-158.5	-175.4	0	0	0	0	0	111.6	E61 S108 S115	E61-G113 WeakPolarHBondContact O-CA 3.47Å; S108-G113 WeakPolarHBondContact CA-O 3.3Å; S108-G113 VanDerWaalsContact CB-O 3.3Å; S108-G113 WeakPolarHBondContact CB-O 3.44Å; S108-G113 PolarHBondContact N-O 3.46Å; S108-G113 PolarHBondContact O-N 3.19Å; G113-S115 PolarHBondContact O-N 3.49Å
114	L	98.2	Very high	97.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	15%	0.145	C	C	.	.			trans	-68.4	130.4	179.9	-65.6	179.2	0	0	0	112.3	L33 L34 L43 L54 E61 I63 D118	L33-L114 WeakPolarHBondContact CA-O 3.3Å; L34-L114 HydrophobicContact CD1-CB 3.89Å; L34-L114 HydrophobicContact CG-CB 4.4Å; L34-L114 PolarHBondContact N-O 2.64Å; L43-L114 HydrophobicContact CD2-CD1 4.08Å; L54-L114 HydrophobicContact CD2-CD1 3.71Å; E61-L114 HydrophobicContact CB-CG 4.48Å; E61-L114 HydrophobicContact CG-CD1 3.99Å; E61-L114 HydrophobicContact CG-CG 4.13Å; E61-L114 WeakPolarHBondContact OE1-CD1 3.29Å; I63-L114 HydrophobicContact CG1-CD2 4.16Å; I63-L114 HydrophobicContact CG2-CD1 3.93Å; I63-L114 HydrophobicContact CG2-CD2 4.16Å; L114-D118 WeakPolarHBondContact CA-OD2 3.49Å; L114-D118 HydrophobicContact CD2-CB 4.02Å
115	S	97.9	Very high	97.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.			trans	-123.8	175.3	169.5	83.1	0	0	0	0	111.3	P32 S108 G113 R117 D118 I119	P32-S115 VanDerWaalsContact O-CB 3.3Å; P32-S115 WeakPolarHBondContact O-CB 3.48Å; S108-S115 WeakPolarHBondContact OG-CB 3.17Å; S108-S115 PolarHBondContact OG-OG 3.36Å; G113-S115 PolarHBondContact O-N 3.49Å; S115-R117 PolarHBondContact O-N 3.21Å; S115-R117 PolarHBondContact OG-N 2.69Å; S115-D118 PolarHBondContact N-OD2 2.7Å; S115-D118 WeakPolarHBondContact O-CB 3.47Å; S115-D118 PolarHBondContact O-N 2.67Å; S115-I119 PolarHBondContact O-N 3.41Å
116	R	97.7	Very high	97.5	Very high	100 Å²	100	27.7 Å²	27.7	38%	0.377	15%	0.145	S	C	.	.	H	α-helix	trans	-57	-30.1	175.5	-174.7	64.3	-162.2	-158.2	0.4	113.2	L34 M42 D118 I119 D120	L34-R116 HydrophobicContact CD2-CB 4.41Å; M42-R116 PolarHBondContact SD-NH1 2.84Å; R116-D118 VanDerWaalsContact C-N 3.31Å; R116-D118 PolarHBondContact O-N 3.44Å; R116-I119 PolarHBondContact O-N 3.39Å; R116-D120 IonicContact CZ-OD1 3.01Å; R116-D120 VanDerWaalsContact CZ-OD1 3.27Å; R116-D120 IonicContact NE-OD1 2.71Å; R116-D120 PolarHBondContact NE-OD1 3.48Å; R116-D120 IonicContact NE-OD2 3.68Å; R116-D120 IonicContact NH2-OD1 2.63Å; R116-D120 PolarHBondContact NH2-OD1 3.39Å; R116-D120 VanDerWaalsContact O-CG 3.27Å; R116-D120 PolarHBondContact O-N 2.81Å
117	R	98	Very high	97.5	Very high	41 Å²	41	33 Å²	33	16%	0.155	17%	0.173	C	C	.	.	H	α-helix	trans	-65.4	-33.9	177.2	-69.4	-174.7	-67.1	-179.6	-10	113	M31 M89 H91 D110 S115 L121	M31-R117 HydrophobicContact CE-CG 4.07Å; M89-R117 HydrophobicContact CE-CB 4.45Å; M89-R117 WeakPolarHBondContact CE-O 3.29Å; H91-R117 HydrophobicContact CB-CB 4.28Å; H91-R117 PolarHBondContact CD2-O 3.44Å; D110-R117 IonicContact OD1-CZ 3.93Å; D110-R117 IonicContact OD1-NH2 2.71Å; D110-R117 PolarHBondContact OD1-NH2 2.81Å; D110-R117 IonicContact OD2-CZ 3.78Å; D110-R117 IonicContact OD2-NH1 3.99Å; D110-R117 IonicContact OD2-NH2 2.79Å; D110-R117 PolarHBondContact OD2-NH2 2.93Å; S115-R117 PolarHBondContact O-N 3.21Å; S115-R117 PolarHBondContact OG-N 2.69Å; R117-L121 VanDerWaalsContact O-CB 3.29Å; R117-L121 WeakPolarHBondContact O-CB 3.11Å; R117-L121 PolarHBondContact O-N 2.99Å
118	D	98.6	Very high	97.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.4	-43.1	176.1	-59.6	-60	0	0	0	110.3	H91 L106 T107 S108 L114 S115 R116 A122	H91-D118 IonicContact CD2-OD1 2.84Å; H91-D118 IonicContact CE1-OD1 3.64Å; H91-D118 PolarHBondContact CE1-OD1 3.24Å; H91-D118 IonicContact NE2-OD1 2.95Å; H91-D118 PolarHBondContact NE2-OD1 2.89Å; L106-D118 HydrophobicContact CB-CB 4.18Å; L106-D118 WeakPolarHBondContact CD1-O 3.49Å; T107-D118 WeakPolarHBondContact CA-OD1 3.15Å; T107-D118 PolarHBondContact N-OD1 2.92Å; S108-D118 WeakPolarHBondContact CB-OD2 3.36Å; S108-D118 PolarHBondContact N-OD1 3.17Å; S108-D118 PolarHBondContact N-OD2 3.07Å; S108-D118 PolarHBondContact OG-OD1 3.43Å; S108-D118 PolarHBondContact OG-OD2 3.32Å; L114-D118 WeakPolarHBondContact CA-OD2 3.49Å; L114-D118 HydrophobicContact CD2-CB 4.02Å; S115-D118 PolarHBondContact N-OD2 2.7Å; S115-D118 WeakPolarHBondContact O-CB 3.47Å; S115-D118 PolarHBondContact O-N 2.67Å; R116-D118 VanDerWaalsContact C-N 3.31Å; R116-D118 PolarHBondContact O-N 3.44Å; D118-A122 VanDerWaalsContact O-CB 3.27Å; D118-A122 WeakPolarHBondContact O-CB 3.26Å; D118-A122 PolarHBondContact O-N 3.28Å
119	I	98.6	Very high	97.6	Very high	2 Å²	2	33.1 Å²	33.1	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-48.9	176.2	-56.3	-56.2	0	0	0	111.3	L34 M42 L43 L46 S115 R116 L121 A122 N123	L34-I119 HydrophobicContact CD1-CD1 3.89Å; L34-I119 HydrophobicContact CD1-CG1 3.81Å; L34-I119 HydrophobicContact CD2-CG1 4.18Å; M42-I119 HydrophobicContact CB-CD1 4.37Å; M42-I119 HydrophobicContact CB-CG1 4.25Å; M42-I119 HydrophobicContact CB-CG2 3.93Å; M42-I119 HydrophobicContact CG-CG2 4.37Å; M42-I119 HydrophobicContact SD-CG1 4.4Å; M42-I119 HydrophobicContact SD-CG2 4.37Å; L43-I119 HydrophobicContact CD2-CD1 3.75Å; L46-I119 HydrophobicContact CD1-CD1 3.63Å; L46-I119 HydrophobicContact CD1-CG2 4.38Å; S115-I119 PolarHBondContact O-N 3.41Å; R116-I119 PolarHBondContact O-N 3.39Å; I119-L121 VanDerWaalsContact C-N 3.32Å; I119-L121 PolarHBondContact O-N 3.22Å; I119-A122 PolarHBondContact O-N 3.3Å; I119-N123 PolarHBondContact O-N 2.84Å; I119-N123 PolarHBondContact O-ND2 2.91Å; I119-N123 VanDerWaalsContact O-ND2 3.15Å
120	D	98.4	Very high	97.8	Very high	62 Å²	62	35.6 Å²	35.6	33%	0.332	18%	0.184	S	C	.	.	H	α-helix	trans	-64.7	-38.2	-177.9	-67.5	-23.6	0	0	0	111.5	M89 R116 F124	M89-D120 HydrophobicContact CE-CB 3.79Å; R116-D120 IonicContact CZ-OD1 3.01Å; R116-D120 VanDerWaalsContact CZ-OD1 3.27Å; R116-D120 IonicContact NE-OD1 2.71Å; R116-D120 PolarHBondContact NE-OD1 3.48Å; R116-D120 IonicContact NE-OD2 3.68Å; R116-D120 IonicContact NH2-OD1 2.63Å; R116-D120 PolarHBondContact NH2-OD1 3.39Å; R116-D120 VanDerWaalsContact O-CG 3.27Å; R116-D120 PolarHBondContact O-N 2.81Å; D120-F124 PolarHBondContact O-N 3.35Å
121	L	98.8	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-71.3	-39.6	175.7	-175.2	56.4	0	0	0	111.5	I82 K85 M89 L106 R117 I119 N123 F124 I125	I82-L121 HydrophobicContact CG2-CD1 4.5Å; K85-L121 HydrophobicContact CG-CD1 4.16Å; M89-L121 HydrophobicContact CE-CB 4Å; M89-L121 HydrophobicContact SD-CB 4.22Å; M89-L121 HydrophobicContact SD-CD1 4.17Å; L106-L121 HydrophobicContact CD1-CB 4.35Å; L106-L121 HydrophobicContact CD1-CG 4.4Å; L106-L121 HydrophobicContact CD2-CD2 3.75Å; L106-L121 HydrophobicContact CD2-CG 4.25Å; R117-L121 VanDerWaalsContact O-CB 3.29Å; R117-L121 WeakPolarHBondContact O-CB 3.11Å; R117-L121 PolarHBondContact O-N 2.99Å; I119-L121 VanDerWaalsContact C-N 3.32Å; I119-L121 PolarHBondContact O-N 3.22Å; L121-N123 PolarHBondContact O-N 3.25Å; L121-F124 HydrophobicContact CD1-CD1 4.49Å; L121-F124 PolarHBondContact O-N 3.45Å; L121-I125 HydrophobicContact CD1-CD1 4.27Å; L121-I125 HydrophobicContact CD1-CG1 4.38Å; L121-I125 HydrophobicContact CG-CD1 3.86Å; L121-I125 HydrophobicContact CG-CG1 4.45Å; L121-I125 WeakPolarHBondContact O-CB 3.16Å; L121-I125 WeakPolarHBondContact O-CD1 3.18Å; L121-I125 WeakPolarHBondContact O-CG1 3.48Å; L121-I125 PolarHBondContact O-N 2.8Å
122	A	98.9	Very high	98.2	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.5	-44.2	175.2	0	0	0	0	0	112.3	L46 W52 I63 L106 D118 I119 I125 N126	L46-A122 HydrophobicContact CD1-CB 3.89Å; L46-A122 HydrophobicContact CD2-CB 3.82Å; W52-A122 HydrophobicContact CD2-CB 4.42Å; W52-A122 HydrophobicContact CH2-CB 4.23Å; W52-A122 HydrophobicContact CZ2-CB 3.85Å; I63-A122 HydrophobicContact CD1-CB 3.76Å; L106-A122 HydrophobicContact CD1-CB 3.77Å; D118-A122 VanDerWaalsContact O-CB 3.27Å; D118-A122 WeakPolarHBondContact O-CB 3.26Å; D118-A122 PolarHBondContact O-N 3.28Å; I119-A122 PolarHBondContact O-N 3.3Å; A122-I125 WeakPolarHBondContact O-CB 3.49Å; A122-I125 PolarHBondContact O-N 2.8Å; A122-N126 VanDerWaalsContact O-CG 3.24Å; A122-N126 PolarHBondContact O-N 2.95Å; A122-N126 PolarHBondContact O-ND2 3.1Å
123	N	98.7	Very high	98.4	Very high	57 Å²	57	45.4 Å²	45.4	31%	0.305	21%	0.211	S	C	.	.	H	α-helix	trans	-62.9	-45.1	176.6	-73.3	-40.1	0	0	0	111.8	L46 I119 L121 I125 N126 D127	L46-N123 WeakPolarHBondContact CD2-OD1 3.4Å; I119-N123 PolarHBondContact O-N 2.84Å; I119-N123 PolarHBondContact O-ND2 2.91Å; I119-N123 VanDerWaalsContact O-ND2 3.15Å; L121-N123 PolarHBondContact O-N 3.25Å; N123-I125 VanDerWaalsContact C-N 3.27Å; N123-I125 PolarHBondContact O-N 3.49Å; N123-N126 WeakPolarHBondContact O-CB 3.48Å; N123-N126 PolarHBondContact O-N 3.31Å; N123-N126 VanDerWaalsContact O-N 3.13Å; N123-D127 PolarHBondContact O-N 2.87Å; N123-D127 VanDerWaalsContact O-N 3.09Å
124	F	98.8	Very high	98.4	Very high	45 Å²	45	46.5 Å²	46.5	20%	0.197	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-40.1	174	176.7	-90.3	0	0	0	112.3	K81 K85 D120 L121 N126 D127 A128	K81-F124 HydrophobicContact CD-CZ 4.49Å; K81-F124 HydrophobicContact CG-CE1 4.07Å; K81-F124 HydrophobicContact CG-CZ 3.74Å; K85-F124 HydrophobicContact CB-CD1 3.72Å; K85-F124 HydrophobicContact CB-CD2 4.37Å; K85-F124 HydrophobicContact CB-CE1 3.38Å; K85-F124 HydrophobicContact CB-CE2 4.06Å; K85-F124 HydrophobicContact CB-CG 4.21Å; K85-F124 HydrophobicContact CB-CZ 3.55Å; K85-F124 HydrophobicContact CD-CD2 3.86Å; K85-F124 HydrophobicContact CD-CE2 3.94Å; K85-F124 HydrophobicContact CD-CG 4.14Å; K85-F124 HydrophobicContact CD-CZ 4.32Å; K85-F124 HydrophobicContact CG-CB 4.33Å; K85-F124 HydrophobicContact CG-CD1 3.63Å; K85-F124 HydrophobicContact CG-CD2 3.86Å; K85-F124 HydrophobicContact CG-CE1 3.81Å; K85-F124 HydrophobicContact CG-CE2 4.01Å; K85-F124 HydrophobicContact CG-CG 3.65Å; K85-F124 HydrophobicContact CG-CZ 3.98Å; D120-F124 PolarHBondContact O-N 3.35Å; L121-F124 HydrophobicContact CD1-CD1 4.49Å; L121-F124 PolarHBondContact O-N 3.45Å; F124-N126 VanDerWaalsContact C-N 3.33Å; F124-D127 PolarHBondContact O-N 3.27Å; F124-A128 WeakPolarHBondContact O-CB 3.43Å; F124-A128 PolarHBondContact O-N 3.46Å
125	I	98.9	Very high	98	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.4	-39.8	176.7	-72.1	163.8	0	0	0	110.7	W52 F67 F78 I82 I104 L106 L121 A122 N123 A128 A129	W52-I125 HydrophobicContact CH2-CD1 4.11Å; W52-I125 HydrophobicContact CH2-CG2 4.31Å; W52-I125 HydrophobicContact CZ2-CB 4.16Å; W52-I125 HydrophobicContact CZ2-CD1 4.45Å; W52-I125 HydrophobicContact CZ2-CG2 3.87Å; F67-I125 HydrophobicContact CE1-CG2 4.38Å; F67-I125 HydrophobicContact CE2-CG2 3.64Å; F67-I125 HydrophobicContact CZ-CG2 3.47Å; F67-I125 VanDerWaalsContact CZ-CG2 3.47Å; F78-I125 HydrophobicContact CE2-CG2 4.19Å; F78-I125 HydrophobicContact CZ-CG2 3.82Å; I82-I125 HydrophobicContact CD1-CD1 4.37Å; I82-I125 HydrophobicContact CD1-CG1 3.75Å; I82-I125 HydrophobicContact CD1-CG2 4.24Å; I82-I125 HydrophobicContact CG1-CG1 3.85Å; I82-I125 HydrophobicContact CG2-CD1 4.41Å; I82-I125 HydrophobicContact CG2-CG1 4.32Å; I104-I125 HydrophobicContact CD1-CD1 4.36Å; I104-I125 HydrophobicContact CD1-CG2 4.07Å; I104-I125 HydrophobicContact CG2-CD1 4.14Å; L106-I125 HydrophobicContact CD1-CD1 4.07Å; L106-I125 HydrophobicContact CD2-CD1 4.36Å; L121-I125 HydrophobicContact CD1-CD1 4.27Å; L121-I125 HydrophobicContact CD1-CG1 4.38Å; L121-I125 HydrophobicContact CG-CD1 3.86Å; L121-I125 HydrophobicContact CG-CG1 4.45Å; L121-I125 WeakPolarHBondContact O-CB 3.16Å; L121-I125 WeakPolarHBondContact O-CD1 3.18Å; L121-I125 WeakPolarHBondContact O-CG1 3.48Å; L121-I125 PolarHBondContact O-N 2.8Å; A122-I125 WeakPolarHBondContact O-CB 3.49Å; A122-I125 PolarHBondContact O-N 2.8Å; N123-I125 VanDerWaalsContact C-N 3.27Å; N123-I125 PolarHBondContact O-N 3.49Å; I125-A128 PolarHBondContact O-N 3.14Å; I125-A129 WeakPolarHBondContact O-CB 3.28Å; I125-A129 PolarHBondContact O-N 3.41Å
126	N	98.6	Very high	98	Very high	13 Å²	13	58.3 Å²	58.3	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-44.9	175.8	-64.4	-29.5	0	0	0	111.6	L46 H50 W52 A122 N123 F124 A129 F130	L46-N126 WeakPolarHBondContact CD2-ND2 3.41Å; H50-N126 WeakPolarHBondContact CB-ND2 3.24Å; H50-N126 PolarHBondContact CD2-ND2 2.94Å; W52-N126 PolarHBondContact NE1-OD1 3.35Å; A122-N126 VanDerWaalsContact O-CG 3.24Å; A122-N126 PolarHBondContact O-N 2.95Å; A122-N126 PolarHBondContact O-ND2 3.1Å; N123-N126 WeakPolarHBondContact O-CB 3.48Å; N123-N126 PolarHBondContact O-N 3.31Å; N123-N126 VanDerWaalsContact O-N 3.13Å; F124-N126 VanDerWaalsContact C-N 3.33Å; N126-A129 PolarHBondContact O-N 2.79Å; N126-F130 PolarHBondContact O-N 2.71Å
127	D	98.5	Very high	98.1	Very high	111 Å²	111	56.1 Å²	56.1	59%	0.594	27%	0.266	S	S	*	.	H	α-helix	trans	-62.4	-45	177.5	-64.8	-22.3	0	0	0	111.1	N123 F124 F130 E131	N123-D127 PolarHBondContact O-N 2.87Å; N123-D127 VanDerWaalsContact O-N 3.09Å; F124-D127 PolarHBondContact O-N 3.27Å; D127-F130 PolarHBondContact O-N 2.92Å; D127-E131 PolarHBondContact O-N 3.06Å
128	A	98.6	Very high	98.1	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-43.1	175.1	0	0	0	0	0	111.5	F78 K81 F124 I125 F130 E131 Y132	F78-A128 HydrophobicContact CD2-CB 3.96Å; F78-A128 HydrophobicContact CE2-CB 4Å; K81-A128 HydrophobicContact CD-CB 3.98Å; K81-A128 HydrophobicContact CG-CB 4.42Å; F124-A128 WeakPolarHBondContact O-CB 3.43Å; F124-A128 PolarHBondContact O-N 3.46Å; I125-A128 PolarHBondContact O-N 3.14Å; A128-F130 VanDerWaalsContact C-N 3.3Å; A128-F130 PolarHBondContact O-N 3.08Å; A128-E131 WeakPolarHBondContact O-CB 3.35Å; A128-E131 PolarHBondContact O-N 3Å; A128-Y132 WeakPolarHBondContact O-CD2 3.49Å; A128-Y132 PolarHBondContact O-N 3.06Å
129	A	98.6	Very high	98	Very high	7 Å²	7	60.3 Å²	60.3	6%	0.058	29%	0.289	C	S	.	.	H	α-helix	trans	-62	-39.6	178.9	0	0	0	0	0	111.5	F67 F78 I125 N126 Y132 Q133 A134	F67-A129 HydrophobicContact CD1-CB 3.62Å; F67-A129 HydrophobicContact CE1-CB 3.43Å; F67-A129 VanDerWaalsContact CE1-CB 3.43Å; F67-A129 HydrophobicContact CZ-CB 4.35Å; F78-A129 HydrophobicContact CE2-CB 3.89Å; F78-A129 HydrophobicContact CZ-CB 4.46Å; I125-A129 WeakPolarHBondContact O-CB 3.28Å; I125-A129 PolarHBondContact O-N 3.41Å; N126-A129 PolarHBondContact O-N 2.79Å; A129-Y132 CarbonylContact O-C 3.56Å; A129-Y132 PolarHBondContact O-N 2.98Å; A129-Q133 PolarHBondContact O-N 2.84Å; A129-A134 HydrophobicContact CB-CB 3.85Å; A129-A134 WeakPolarHBondContact O-CB 3.45Å; A129-A134 PolarHBondContact O-N 2.78Å
130	F	98.2	Very high	98	Very high	180 Å²	180	63.9 Å²	63.9	79%	0.789	31%	0.306	S	S	*	.	H	α-helix	trans	-63	-46.3	173.6	-179.6	-97.9	0	0	0	111.8	N126 D127 A128 Y132 Q133	N126-F130 PolarHBondContact O-N 2.71Å; D127-F130 PolarHBondContact O-N 2.92Å; A128-F130 VanDerWaalsContact C-N 3.3Å; A128-F130 PolarHBondContact O-N 3.08Å; F130-Y132 VanDerWaalsContact C-N 3.33Å; F130-Y132 PolarHBondContact O-N 3.02Å; F130-Q133 PolarHBondContact O-N 2.9Å; F130-Q133 VanDerWaalsContact O-N 3.11Å
131	E	98.5	Very high	98	Very high	107 Å²	107	64.1 Å²	64.1	50%	0.5	30%	0.304	S	S	.	.	H	α-helix	trans	-59.2	-41.9	177.2	-177.5	-179.7	137.8	0	0	112.7	K81 D127 A128 Q133	K81-E131 IonicContact NZ-OE1 2.7Å; K81-E131 PolarHBondContact NZ-OE1 2.91Å; K81-E131 IonicContact NZ-OE2 3.54Å; K81-E131 PolarHBondContact NZ-OE2 2.97Å; D127-E131 PolarHBondContact O-N 3.06Å; A128-E131 WeakPolarHBondContact O-CB 3.35Å; A128-E131 PolarHBondContact O-N 3Å; E131-Q133 VanDerWaalsContact C-N 3.28Å; E131-Q133 PolarHBondContact O-N 3.46Å
132	Y	98.5	Very high	97.9	Very high	57 Å²	57	68.6 Å²	68.6	22%	0.224	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	9.9	178	-70.3	-73.3	0	0	0	113.9	V74 D77 F78 K81 A128 A129 F130 A134	V74-Y132 HydrophobicContact CG1-CD1 4.15Å; D77-Y132 HydrophobicContact CB-CD1 4.36Å; D77-Y132 HydrophobicContact CB-CE1 3.61Å; F78-Y132 HydrophobicContact CB-CD2 3.73Å; F78-Y132 HydrophobicContact CB-CE2 4.21Å; F78-Y132 HydrophobicContact CB-CG 4Å; F78-Y132 HydrophobicContact CD2-CD2 4.06Å; F78-Y132 HydrophobicContact CG-CD2 4.41Å; K81-Y132 HydrophobicContact CB-CE2 4.18Å; K81-Y132 HydrophobicContact CD-CE2 3.66Å; A128-Y132 WeakPolarHBondContact O-CD2 3.49Å; A128-Y132 PolarHBondContact O-N 3.06Å; A129-Y132 CarbonylContact O-C 3.56Å; A129-Y132 PolarHBondContact O-N 2.98Å; F130-Y132 VanDerWaalsContact C-N 3.33Å; F130-Y132 PolarHBondContact O-N 3.02Å; Y132-A134 VanDerWaalsContact C-N 3.27Å; Y132-A134 PolarHBondContact O-N 3.05Å
133	Q	98.1	Very high	97.8	Very high	167 Å²	167	73.9 Å²	73.9	78%	0.78	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	39.1	175.1	-55.2	170.9	34.4	0	0	113.3	A129 F130 E131	A129-Q133 PolarHBondContact O-N 2.84Å; F130-Q133 PolarHBondContact O-N 2.9Å; F130-Q133 VanDerWaalsContact O-N 3.11Å; E131-Q133 VanDerWaalsContact C-N 3.28Å; E131-Q133 PolarHBondContact O-N 3.46Å
134	A	97.6	Very high	97.8	Very high	26 Å²	26	75.3 Å²	75.3	22%	0.215	36%	0.355	C	S	.	.			trans	-62.8	148.2	174.3	0	0	0	0	0	111.1	F67 L68 F69 A129 Y132	F67-A134 HydrophobicContact CB-CB 4.23Å; F67-A134 HydrophobicContact CD1-CB 3.94Å; L68-A134 WeakPolarHBondContact O-CA 3.34Å; F69-A134 HydrophobicContact CD1-CB 4.07Å; F69-A134 HydrophobicContact CE1-CB 3.5Å; F69-A134 HydrophobicContact CZ-CB 3.83Å; A129-A134 HydrophobicContact CB-CB 3.85Å; A129-A134 WeakPolarHBondContact O-CB 3.45Å; A129-A134 PolarHBondContact O-N 2.78Å; Y132-A134 VanDerWaalsContact C-N 3.27Å; Y132-A134 PolarHBondContact O-N 3.05Å
135	K	90.4	Very high	97.7	Very high	190 Å²	190	78.1 Å²	78.1	83%	0.826	37%	0.369	S	S	*	.			trans	-101.8	0	165.5	-59.8	178.3	-177.6	177.8	0	110.2	R65 L68	R65-K135 PolarHBondContact NH2-OXT 2.99Å; L68-K135 HydrophobicContact CB-CB 4.38Å; L68-K135 PolarHBondContact N-O 3.22Å; L68-K135 PolarHBondContact O-N 3.18Å

Retrieved 135 of 135 residues in 37.3 ms (Link to these results)

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