A0A3Q0KPQ7_SCHMA Loading...

Cytochrome c oxidase subunit 5A, mitochondrial

Component of the cytochrome c oxidase, the last enzyme in the mitochondrial electron transport chain which drives oxidative phosphorylation. The respiratory chain contains 3 multisubunit complexes succinate dehydrogenase (complex II, CII), ubiquinol-cytochrome c oxidoreductase (cytochrome b-c1 complex, complex III, CIII) and cytochrome c oxidase (complex IV, CIV), that cooperate to transfer electrons derived from NADH and succinate to molecular oxygen, creating an electrochemical gradient over the inner membrane that drives transmembrane transport and the ATP synthase. Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Electrons originating from reduced cytochrome c in the intermembrane space (IMS) are transferred via the dinuclear copper A center (CU(A)) of subunit 2 and heme A of subunit 1 to the active site in subunit 1, a binuclear center (BNC) formed by heme A3 and copper B (CU(B)). The BNC reduces molecular oxygen to 2 water molecules using 4 electrons from cytochrome c in the IMS and 4 protons from the mitochondrial matrix.

AlphaFold DB , UniProt , Accession A0A3Q0KPQ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	58.1	Low	60.7	Low	226 Å²	226	122.9 Å²	122.9	100%	1.113	65%	0.646	S	S	*	*				0	-37.2	0	-75.6	177.8	173.7	0	0	114	R3 S4	M1-R3 PolarHBondContact O-N 3.24Å; M1-S4 PolarHBondContact O-N 3.31Å
2	I	65.6	Low	59.9	Low	143 Å²	143	118.7 Å²	118.7	73%	0.733	63%	0.634	S	S	*	*	H	α-helix	trans	-61.8	-36.5	-175.7	-60.4	167.7	0	0	0	114.2	S4 A5 V6	I2-S4 VanDerWaalsContact C-N 3.29Å; I2-S4 PolarHBondContact O-N 3.4Å; I2-A5 PolarHBondContact O-N 3.37Å; I2-V6 PolarHBondContact O-N 3.47Å
3	R	58.1	Low	59.4	Low	227 Å²	227	124.2 Å²	124.2	86%	0.857	64%	0.643	S	S	*	*	H	α-helix	trans	-60.4	-32.7	180	-97.5	-176.2	168.5	-174.4	-3.5	114.3	M1 I7	M1-R3 PolarHBondContact O-N 3.24Å; R3-I7 WeakPolarHBondContact O-CG1 3.13Å; R3-I7 PolarHBondContact O-N 3.39Å
4	S	64.9	Low	58.2	Low	76 Å²	76	126.4 Å²	126.4	53%	0.531	65%	0.649	S	S	.	*	H	α-helix	trans	-74	-33.8	-178.8	-141	0	0	0	0	112	M1 I2 N8	M1-S4 PolarHBondContact O-N 3.31Å; I2-S4 VanDerWaalsContact C-N 3.29Å; I2-S4 PolarHBondContact O-N 3.4Å; S4-N8 PolarHBondContact O-N 3.3Å; S4-N8 VanDerWaalsContact O-N 3.13Å
5	A	65.9	Low	57.3	Low	65 Å²	65	129.7 Å²	129.7	54%	0.537	66%	0.656	S	S	.	*	H	α-helix	trans	-67.7	-39	178.6	0	0	0	0	0	112.1	I2 N8 C9	I2-A5 PolarHBondContact O-N 3.37Å; A5-N8 PolarHBondContact O-N 2.92Å; A5-C9 WeakPolarHBondContact O-CB 3.38Å; A5-C9 PolarHBondContact O-N 3.14Å
6	V	67.7	Low	56.6	Low	88 Å²	88	127.9 Å²	127.9	53%	0.533	65%	0.654	S	S	.	*	H	α-helix	trans	-68.9	-40.7	178.6	-177.1	0	0	0	0	111.4	I2 N8 C9 V10	I2-V6 PolarHBondContact O-N 3.47Å; V6-N8 VanDerWaalsContact C-N 3.34Å; V6-N8 PolarHBondContact O-N 3.45Å; V6-C9 WeakPolarHBondContact O-CB 3.41Å; V6-C9 PolarHBondContact O-N 3.12Å; V6-V10 WeakPolarHBondContact O-CG2 3.49Å; V6-V10 PolarHBondContact O-N 3.36Å
7	I	62.6	Low	56.2	Low	98 Å²	98	127.9 Å²	127.9	50%	0.503	66%	0.661	S	S	.	*	H	α-helix	trans	-64.4	-39.8	177.5	-67.7	169.3	0	0	0	111.2	R3 C9 V10 K11	R3-I7 WeakPolarHBondContact O-CG1 3.13Å; R3-I7 PolarHBondContact O-N 3.39Å; I7-C9 VanDerWaalsContact C-N 3.35Å; I7-V10 PolarHBondContact O-N 3.39Å; I7-K11 PolarHBondContact O-N 2.95Å
8	N	59	Low	55.6	Low	103 Å²	103	126.2 Å²	126.2	55%	0.551	66%	0.659	S	S	*	*	H	α-helix	trans	-69.5	-32.7	175.6	-74.5	-17.1	0	0	0	112.5	S4 A5 V6 S12	S4-N8 PolarHBondContact O-N 3.3Å; S4-N8 VanDerWaalsContact O-N 3.13Å; A5-N8 PolarHBondContact O-N 2.92Å; V6-N8 VanDerWaalsContact C-N 3.34Å; V6-N8 PolarHBondContact O-N 3.45Å; N8-S12 PolarHBondContact O-N 2.97Å
9	C	59.5	Low	55.2	Low	67 Å²	67	129.8 Å²	129.8	45%	0.453	67%	0.665	S	S	.	*	H	α-helix	trans	-63.9	-46	174.2	-167.8	0	0	0	0	111.2	A5 V6 I7 K11 S12 Y13	A5-C9 WeakPolarHBondContact O-CB 3.38Å; A5-C9 PolarHBondContact O-N 3.14Å; V6-C9 WeakPolarHBondContact O-CB 3.41Å; V6-C9 PolarHBondContact O-N 3.12Å; I7-C9 VanDerWaalsContact C-N 3.35Å; C9-K11 PolarHBondContact O-N 3.01Å; C9-S12 WeakPolarHBondContact O-CB 3.32Å; C9-S12 PolarHBondContact O-N 3.45Å; C9-S12 VanDerWaalsContact O-N 3.09Å; C9-Y13 VanDerWaalsContact O-CD2 3.31Å; C9-Y13 WeakPolarHBondContact O-CD2 3.39Å
10	V	58	Low	54.9	Low	101 Å²	101	130.8 Å²	130.8	61%	0.612	67%	0.67	S	S	*	*	H	α-helix	trans	-64.5	-36.9	179.2	175.4	0	0	0	0	112.3	V6 I7 S12 Y13	V6-V10 WeakPolarHBondContact O-CG2 3.49Å; V6-V10 PolarHBondContact O-N 3.36Å; I7-V10 PolarHBondContact O-N 3.39Å; V10-S12 PolarHBondContact O-N 3.18Å; V10-Y13 PolarHBondContact O-N 2.65Å
11	K	47.9	Very low	54.5	Low	158 Å²	158	133.9 Å²	133.9	69%	0.687	67%	0.674	S	S	*	*	H	α-helix	trans	-65.3	-23.5	175	-75	-175.7	177.3	-176	0	113.7	I7 C9	I7-K11 PolarHBondContact O-N 2.95Å; C9-K11 PolarHBondContact O-N 3.01Å
12	S	51.1	Low	54	Low	72 Å²	72	131.3 Å²	131.3	50%	0.503	66%	0.657	S	S	.	*	H	α-helix	trans	-75.8	-28.5	178	-164.5	0	0	0	0	112.9	N8 C9 V10	N8-S12 PolarHBondContact O-N 2.97Å; C9-S12 WeakPolarHBondContact O-CB 3.32Å; C9-S12 PolarHBondContact O-N 3.45Å; C9-S12 VanDerWaalsContact O-N 3.09Å; V10-S12 PolarHBondContact O-N 3.18Å
13	Y	53.4	Low	53.4	Low	191 Å²	191	134.8 Å²	134.8	75%	0.749	66%	0.661	S	S	*	*	H	α-helix	trans	-87.5	-4.5	-176.8	-75.9	-81.6	0	0	0	114.6	C9 V10 K15	C9-Y13 VanDerWaalsContact O-CD2 3.31Å; C9-Y13 WeakPolarHBondContact O-CD2 3.39Å; V10-Y13 PolarHBondContact O-N 2.65Å; Y13-K15 PolarHBondContact O-N 3.3Å
14	H	43.3	Very low	53.2	Low	155 Å²	155	129.4 Å²	129.4	72%	0.718	66%	0.655	S	S	*	*			trans	-88	39.1	164.8	-132.3	-66.8	0	0	0	111.3	T16	H14-T16 PolarHBondContact O-N 2.97Å
15	K	45.2	Very low	52.9	Low	176 Å²	176	127.7 Å²	127.7	77%	0.765	64%	0.643	S	S	*	*			trans	-62.8	80.9	149	-72.1	-169.3	-174.1	-175.6	0	106.2	Y13 V17	Y13-K15 PolarHBondContact O-N 3.3Å; K15-V17 PolarHBondContact O-N 3.03Å
16	T	45.5	Very low	52.4	Low	101 Å²	101	129.1 Å²	129.1	62%	0.62	66%	0.655	S	S	*	*			trans	-20.6	110	147.8	41.3	0	0	0	0	107.6	H14 P18	H14-T16 PolarHBondContact O-N 2.97Å; T16-P18 WeakPolarHBondContact O-CD 3.48Å
17	V	50.4	Low	52.4	Low	128 Å²	128	129 Å²	129	78%	0.776	65%	0.651	S	S	*	*			trans	-42.7	114	155.1	-155.6	0	0	0	0	102.9	K15 Y19	K15-V17 PolarHBondContact O-N 3.03Å; V17-Y19 PolarHBondContact O-N 3.25Å
18	P	44.5	Very low	53	Low	96 Å²	96	128.8 Å²	128.8	62%	0.623	65%	0.648	S	S	*	*			trans	-53.9	117.4	179.3	21	-29.1	0	0	0	103.2	T16 I20	T16-P18 WeakPolarHBondContact O-CD 3.48Å; P18-I20 WeakPolarHBondContact O-CG1 3.44Å; P18-I20 PolarHBondContact O-N 3.5Å
19	Y	48.5	Very low	54.2	Low	196 Å²	196	124.3 Å²	124.3	77%	0.769	63%	0.625	S	S	*	*			trans	-55.5	100.6	166.3	-139.3	-95.2	0	0	0	101.1	V17 Y21	V17-Y19 PolarHBondContact O-N 3.25Å; Y19-Y21 WeakPolarHBondContact O-CD2 3.28Å; Y19-Y21 PolarHBondContact O-N 3.16Å
20	I	48.2	Very low	55.6	Low	148 Å²	148	122.3 Å²	122.3	76%	0.759	61%	0.611	S	S	*	*			trans	-67.4	89.8	174.4	-50.5	174.7	0	0	0	99.6	P18 F22	P18-I20 WeakPolarHBondContact O-CG1 3.44Å; P18-I20 PolarHBondContact O-N 3.5Å; I20-F22 PolarHBondContact O-N 3.21Å
21	Y	48.3	Very low	57.1	Low	196 Å²	196	118.5 Å²	118.5	77%	0.769	59%	0.587	S	S	*	*			trans	-52.5	106.3	168.9	-75.4	-85.5	0	0	0	102.6	Y19 R23	Y19-Y21 WeakPolarHBondContact O-CD2 3.28Å; Y19-Y21 PolarHBondContact O-N 3.16Å; Y21-R23 PolarHBondContact O-N 2.64Å
22	F	46.5	Very low	59	Low	173 Å²	173	116.5 Å²	116.5	76%	0.759	59%	0.59	S	S	*	*			trans	-59.9	95.5	178.4	-177.4	-93.2	0	0	0	104.2	I20 P24	I20-F22 PolarHBondContact O-N 3.21Å; F22-P24 VanDerWaalsContact O-CD 3.25Å; F22-P24 WeakPolarHBondContact O-CD 3.37Å; F22-P24 VanDerWaalsContact O-N 3.14Å
23	R	52.8	Low	60.8	Low	216 Å²	216	120.1 Å²	120.1	82%	0.815	60%	0.599	S	S	*	*			trans	-62.2	117.7	171.6	-87.5	-176.2	162.1	-166.6	-6.2	103.7	Y21 C25	Y21-R23 PolarHBondContact O-N 2.64Å; R23-C25 PolarHBondContact O-N 2.99Å
24	P	55.2	Low	62.5	Low	113 Å²	113	113.2 Å²	113.2	73%	0.734	57%	0.572	S	S	*	*			trans	-55.3	117.1	174.3	22.3	-30.6	0	0	0	107	F22 A26	F22-P24 VanDerWaalsContact O-CD 3.25Å; F22-P24 WeakPolarHBondContact O-CD 3.37Å; F22-P24 VanDerWaalsContact O-N 3.14Å; P24-A26 PolarHBondContact O-N 3.46Å
25	C	56.9	Low	64.4	Low	41 Å²	41	110.4 Å²	110.4	28%	0.277	56%	0.562	S	S	.	*			trans	-64.3	102.2	179.7	-63	0	0	0	0	107.3	R23 N27 H28 N36	R23-C25 PolarHBondContact O-N 2.99Å; C25-N27 PolarHBondContact O-N 3.31Å; C25-H28 HydrophobicContact CB-CB 4.15Å; C25-N36 WeakPolarHBondContact CA-OD1 3.39Å; C25-N36 WeakPolarHBondContact CB-OD1 3.44Å; C25-N36 PolarHBondContact SG-OD1 3Å
26	A	56.9	Low	66.1	Low	95 Å²	95	106.4 Å²	106.4	79%	0.785	55%	0.549	S	S	*	.	S	Bend	trans	-60.1	-28.9	-176.7	0	0	0	0	0	112.7	P24	P24-A26 PolarHBondContact O-N 3.46Å
27	N	66.3	Low	68.1	Low	85 Å²	85	103.6 Å²	103.6	46%	0.455	54%	0.536	S	S	.	.	S	Bend	trans	-133.7	91.8	174.7	-62.7	-36.3	0	0	0	108	C25 N36 T38	C25-N27 PolarHBondContact O-N 3.31Å; N27-N36 WeakPolarHBondContact O-CA 3.26Å; N27-T38 PolarHBondContact ND2-OG1 3.47Å
28	H	75.8	Confident	69.8	Low	93 Å²	93	102.6 Å²	102.6	43%	0.431	53%	0.531	S	S	.	.			trans	-86.7	114.1	176.5	-177.2	74.7	0	0	0	109.9	C25	C25-H28 HydrophobicContact CB-CB 4.15Å
29	S	85	Confident	71.9	Confident	9 Å²	9	99 Å²	99	6%	0.063	51%	0.506	C	S	.	.			trans	-105.8	140.9	164.1	-179.4	0	0	0	0	109.7	N31 E39 E72	S29-N31 PolarHBondContact O-N 3.33Å; S29-N31 WeakPolarHBondContact OG-CB 3.43Å; S29-N31 PolarHBondContact OG-N 2.89Å; S29-E39 PolarHBondContact OG-OE2 3.49Å; S29-E72 WeakPolarHBondContact CA-OE2 3.5Å
30	T	88	Confident	74.1	Confident	25 Å²	25	92.7 Å²	92.7	15%	0.153	49%	0.488	C	S	.	.	S	Bend	trans	-71.6	-9	171.7	64	0	0	0	0	112.8	P32 R47 R68 L71 E72	T30-P32 WeakPolarHBondContact O-CD 3.43Å; T30-R47 PolarHBondContact OG1-NH1 3.5Å; T30-R68 HydrophobicContact CG2-CB 4.13Å; T30-R68 HydrophobicContact CG2-CG 4.37Å; T30-R68 WeakPolarHBondContact CG2-O 3.27Å; T30-L71 HydrophobicContact CG2-CB 3.81Å; T30-E72 VanDerWaalsContact CB-OE1 3.28Å; T30-E72 WeakPolarHBondContact CB-OE1 3.43Å; T30-E72 HydrophobicContact CG2-CG 4.23Å; T30-E72 PolarHBondContact N-OE1 2.63Å; T30-E72 PolarHBondContact OG1-OE1 3.45Å
31	N	89.7	Confident	76.2	Confident	22 Å²	22	91.7 Å²	91.7	12%	0.118	48%	0.476	C	S	.	.	S	Bend	trans	-78.4	117.1	171.4	-170.3	-15.4	0	0	0	110.3	S29 Q33 Y34 N35 E39	S29-N31 PolarHBondContact O-N 3.33Å; S29-N31 WeakPolarHBondContact OG-CB 3.43Å; S29-N31 PolarHBondContact OG-N 2.89Å; N31-Q33 PolarHBondContact O-N 3.21Å; N31-Q33 VanDerWaalsContact O-N 3.09Å; N31-Q33 WeakPolarHBondContact OD1-CB 3.42Å; N31-Q33 PolarHBondContact OD1-N 2.89Å; N31-Y34 HydrophobicContact CB-CD2 4.25Å; N31-Y34 WeakPolarHBondContact ND2-CD2 3.38Å; N31-Y34 CarbonylContact O-C 3.55Å; N31-Y34 PolarHBondContact O-N 3.04Å; N31-N35 PolarHBondContact O-N 3.46Å; N31-E39 PolarHBondContact ND2-OE1 3.17Å
32	P	87.8	Confident	78.5	Confident	116 Å²	116	87.6 Å²	87.6	75%	0.753	46%	0.464	S	S	*	.	G	3₁₀ helix	trans	-57.7	-27.2	178.3	-24.2	34.6	0	0	0	113.9	T30 Y34 N35	T30-P32 WeakPolarHBondContact O-CD 3.43Å; P32-Y34 VanDerWaalsContact C-N 3.27Å; P32-Y34 PolarHBondContact O-N 3.32Å; P32-N35 PolarHBondContact O-N 3.07Å
33	Q	89.3	Confident	80.8	Confident	147 Å²	147	81.7 Å²	81.7	69%	0.687	44%	0.442	S	S	*	.	G	3₁₀ helix	trans	-66	-29.6	178	-174	177.3	5.2	0	0	112.6	N31	N31-Q33 PolarHBondContact O-N 3.21Å; N31-Q33 VanDerWaalsContact O-N 3.09Å; N31-Q33 WeakPolarHBondContact OD1-CB 3.42Å; N31-Q33 PolarHBondContact OD1-N 2.89Å
34	Y	88.7	Confident	82.8	Confident	46 Å²	46	72.4 Å²	72.4	18%	0.18	41%	0.408	C	S	.	.	G	3₁₀ helix	trans	-113.2	31.4	-178.4	-62.2	-83.7	0	0	0	111.8	N31 P32 N36 A37 E39 P40 V43	N31-Y34 HydrophobicContact CB-CD2 4.25Å; N31-Y34 WeakPolarHBondContact ND2-CD2 3.38Å; N31-Y34 CarbonylContact O-C 3.55Å; N31-Y34 PolarHBondContact O-N 3.04Å; P32-Y34 VanDerWaalsContact C-N 3.27Å; P32-Y34 PolarHBondContact O-N 3.32Å; Y34-N36 PolarHBondContact O-N 3.05Å; Y34-N36 VanDerWaalsContact O-N 3.14Å; Y34-A37 HydrophobicContact CD1-CB 4.39Å; Y34-A37 PolarHBondContact O-N 3.36Å; Y34-E39 HydrophobicContact CD1-CB 4.34Å; Y34-E39 HydrophobicContact CD2-CB 3.99Å; Y34-E39 HydrophobicContact CD2-CG 3.71Å; Y34-E39 HydrophobicContact CE2-CG 3.95Å; Y34-E39 HydrophobicContact CG-CB 3.86Å; Y34-E39 HydrophobicContact CG-CG 4.1Å; Y34-P40 HydrophobicContact CE1-CG 4.27Å; Y34-P40 VanDerWaalsContact CZ-CD 3.48Å; Y34-V43 HydrophobicContact CE2-CG1 3.98Å
35	N	83.3	Confident	84.7	Confident	96 Å²	96	69 Å²	69	51%	0.513	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	117.5	176.3	-173.1	9	0	0	0	110.7	N31 P32 A37	N31-N35 PolarHBondContact O-N 3.46Å; P32-N35 PolarHBondContact O-N 3.07Å; N35-A37 PolarHBondContact O-N 3.44Å
36	N	81.6	Confident	86.6	Confident	93 Å²	93	69.5 Å²	69.5	50%	0.497	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	20.8	-171.3	-53.6	-63	0	0	0	114.9	C25 N27 Y34	C25-N36 WeakPolarHBondContact CA-OD1 3.39Å; C25-N36 WeakPolarHBondContact CB-OD1 3.44Å; C25-N36 PolarHBondContact SG-OD1 3Å; N27-N36 WeakPolarHBondContact O-CA 3.26Å; Y34-N36 PolarHBondContact O-N 3.05Å; Y34-N36 VanDerWaalsContact O-N 3.14Å
37	A	86.2	Confident	88.5	Confident	42 Å²	42	66.7 Å²	66.7	35%	0.347	35%	0.354	S	S	.	.	S	Bend	trans	-126.4	155.5	176	0	0	0	0	0	110.1	Y34 N35 E39	Y34-A37 HydrophobicContact CD1-CB 4.39Å; Y34-A37 PolarHBondContact O-N 3.36Å; N35-A37 PolarHBondContact O-N 3.44Å; A37-E39 PolarHBondContact O-N 3.03Å
38	T	86.9	Confident	90	Very high	107 Å²	107	62.7 Å²	62.7	66%	0.656	33%	0.332	S	S	*	.			trans	-76.5	115.9	174.9	-54	0	0	0	0	109.2	N27	N27-T38 PolarHBondContact ND2-OG1 3.47Å
39	E	88.5	Confident	91	Very high	21 Å²	21	59.6 Å²	59.6	10%	0.098	32%	0.32	C	S	.	.			trans	-70.2	133.1	172	-175.4	171.2	-142.1	0	0	109.7	S29 N31 Y34 A37 V43 F44 R47	S29-E39 PolarHBondContact OG-OE2 3.49Å; N31-E39 PolarHBondContact ND2-OE1 3.17Å; Y34-E39 HydrophobicContact CD1-CB 4.34Å; Y34-E39 HydrophobicContact CD2-CB 3.99Å; Y34-E39 HydrophobicContact CD2-CG 3.71Å; Y34-E39 HydrophobicContact CE2-CG 3.95Å; Y34-E39 HydrophobicContact CG-CB 3.86Å; Y34-E39 HydrophobicContact CG-CG 4.1Å; A37-E39 PolarHBondContact O-N 3.03Å; E39-V43 HydrophobicContact CG-CB 4.15Å; E39-V43 HydrophobicContact CG-CG1 4.21Å; E39-F44 HydrophobicContact CG-CB 4.04Å; E39-F44 WeakPolarHBondContact OE2-CB 3.39Å; E39-F44 WeakPolarHBondContact OE2-CD2 3.48Å; E39-R47 IonicContact OE1-CZ 3.3Å; E39-R47 IonicContact OE1-NE 3.05Å; E39-R47 PolarHBondContact OE1-NE 3.46Å; E39-R47 VanDerWaalsContact OE1-NE 3.13Å; E39-R47 IonicContact OE1-NH2 2.99Å; E39-R47 IonicContact OE2-CZ 2.73Å; E39-R47 IonicContact OE2-NE 2.92Å; E39-R47 IonicContact OE2-NH2 2.64Å; E39-R47 PolarHBondContact OE2-NH2 3.06Å
40	P	94.1	Very high	91.6	Very high	62 Å²	62	64.5 Å²	64.5	40%	0.403	35%	0.345	S	S	.	.			trans	-61.2	137.8	171.9	-21.8	32.2	0	0	0	111.3	Y34 E42 V43 F44	Y34-P40 HydrophobicContact CE1-CG 4.27Å; Y34-P40 VanDerWaalsContact CZ-CD 3.48Å; P40-E42 VanDerWaalsContact C-N 3.31Å; P40-E42 PolarHBondContact O-N 3.33Å; P40-V43 HydrophobicContact CB-CB 4.42Å; P40-V43 HydrophobicContact CB-CG2 4.03Å; P40-V43 HydrophobicContact CG-CG2 4.18Å; P40-V43 WeakPolarHBondContact O-CB 3.48Å; P40-V43 PolarHBondContact O-N 2.9Å; P40-F44 PolarHBondContact O-N 2.74Å
41	Y	93.4	Very high	92	Very high	127 Å²	127	63.9 Å²	63.9	50%	0.498	34%	0.343	S	S	.	.	H	α-helix	trans	-51	-45.2	-175.7	176.7	-106.1	0	0	0	114	V43 F44 K45 P77	Y41-V43 VanDerWaalsContact C-N 3.32Å; Y41-V43 PolarHBondContact O-N 3.25Å; Y41-F44 WeakPolarHBondContact O-CB 3.45Å; Y41-F44 PolarHBondContact O-N 3.27Å; Y41-K45 HydrophobicContact CE1-CD 4.17Å; Y41-K45 WeakPolarHBondContact O-CB 3.47Å; Y41-K45 PolarHBondContact O-N 3.26Å; Y41-P77 HydrophobicContact CE2-CG 3.95Å
42	E	95.3	Very high	92.4	Very high	110 Å²	110	62.9 Å²	62.9	51%	0.514	34%	0.338	S	S	.	.	H	α-helix	trans	-67	-32.5	-179.9	-67.1	-58.5	140.3	0	0	112.8	P40 K45 S46	P40-E42 VanDerWaalsContact C-N 3.31Å; P40-E42 PolarHBondContact O-N 3.33Å; E42-K45 IonicContact OE1-NZ 3.24Å; E42-K45 PolarHBondContact OE1-NZ 3Å; E42-K45 WeakPolarHBondContact OE2-CE 3.4Å; E42-K45 IonicContact OE2-NZ 2.58Å; E42-K45 PolarHBondContact OE2-NZ 3.45Å; E42-S46 VanDerWaalsContact O-CB 3.24Å; E42-S46 WeakPolarHBondContact O-CB 3.44Å; E42-S46 PolarHBondContact O-N 2.93Å; E42-S46 PolarHBondContact O-OG 3.42Å
43	V	94.8	Very high	92.9	Very high	50 Å²	50	61 Å²	61	30%	0.303	32%	0.322	S	S	.	.	H	α-helix	trans	-70.8	-44.9	175.9	-178.5	0	0	0	0	109.9	Y34 E39 P40 Y41 S46 R47	Y34-V43 HydrophobicContact CE2-CG1 3.98Å; E39-V43 HydrophobicContact CG-CB 4.15Å; E39-V43 HydrophobicContact CG-CG1 4.21Å; P40-V43 HydrophobicContact CB-CB 4.42Å; P40-V43 HydrophobicContact CB-CG2 4.03Å; P40-V43 HydrophobicContact CG-CG2 4.18Å; P40-V43 WeakPolarHBondContact O-CB 3.48Å; P40-V43 PolarHBondContact O-N 2.9Å; Y41-V43 VanDerWaalsContact C-N 3.32Å; Y41-V43 PolarHBondContact O-N 3.25Å; V43-S46 PolarHBondContact O-OG 3.05Å; V43-R47 WeakPolarHBondContact O-CB 3.38Å; V43-R47 PolarHBondContact O-N 2.58Å
44	F	94.5	Very high	93.3	Very high	21 Å²	21	57.6 Å²	57.6	9%	0.092	31%	0.308	C	S	.	.	H	α-helix	trans	-55.9	-54.2	173.4	172.4	-89.3	0	0	0	111.6	E39 P40 Y41 R47 F48 L69 E72 P77	E39-F44 HydrophobicContact CG-CB 4.04Å; E39-F44 WeakPolarHBondContact OE2-CB 3.39Å; E39-F44 WeakPolarHBondContact OE2-CD2 3.48Å; P40-F44 PolarHBondContact O-N 2.74Å; Y41-F44 WeakPolarHBondContact O-CB 3.45Å; Y41-F44 PolarHBondContact O-N 3.27Å; F44-R47 WeakPolarHBondContact O-CB 3.46Å; F44-R47 PolarHBondContact O-N 2.98Å; F44-F48 HydrophobicContact CD1-CD2 4.49Å; F44-F48 HydrophobicContact CD2-CD2 4.25Å; F44-F48 AromaticContact CD2-CE2 3.8Å; F44-F48 HydrophobicContact CD2-CE2 3.8Å; F44-F48 HydrophobicContact CE1-CD2 4.23Å; F44-F48 HydrophobicContact CE1-CE2 4.42Å; F44-F48 HydrophobicContact CE2-CD2 4.03Å; F44-F48 AromaticContact CE2-CE2 3.43Å; F44-F48 HydrophobicContact CE2-CE2 3.43Å; F44-F48 VanDerWaalsContact CE2-CE2 3.43Å; F44-F48 HydrophobicContact CE2-CZ 4.42Å; F44-F48 HydrophobicContact CG-CD2 4.48Å; F44-F48 HydrophobicContact CG-CE2 4.46Å; F44-F48 HydrophobicContact CZ-CD2 4Å; F44-F48 AromaticContact CZ-CE2 3.76Å; F44-F48 HydrophobicContact CZ-CE2 3.76Å; F44-F48 WeakPolarHBondContact O-CD2 3.35Å; F44-F48 PolarHBondContact O-N 2.88Å; F44-L69 HydrophobicContact CZ-CD1 4.02Å; F44-E72 HydrophobicContact CE2-CB 3.95Å; F44-E72 HydrophobicContact CE2-CG 3.67Å; F44-E72 HydrophobicContact CZ-CB 4.41Å; F44-E72 HydrophobicContact CZ-CG 4.41Å; F44-P77 HydrophobicContact CE1-CG 4.25Å
45	K	96.2	Very high	93.6	Very high	42 Å²	42	60.5 Å²	60.5	18%	0.183	33%	0.332	C	S	.	.	H	α-helix	trans	-60.5	-51.6	-177.4	-176.2	-179.1	69.7	-165	0	111.1	Y41 E42 R47 F48 V49 P77 V80	Y41-K45 HydrophobicContact CE1-CD 4.17Å; Y41-K45 WeakPolarHBondContact O-CB 3.47Å; Y41-K45 PolarHBondContact O-N 3.26Å; E42-K45 IonicContact OE1-NZ 3.24Å; E42-K45 PolarHBondContact OE1-NZ 3Å; E42-K45 WeakPolarHBondContact OE2-CE 3.4Å; E42-K45 IonicContact OE2-NZ 2.58Å; E42-K45 PolarHBondContact OE2-NZ 3.45Å; K45-R47 VanDerWaalsContact C-N 3.32Å; K45-R47 PolarHBondContact O-N 2.95Å; K45-F48 PolarHBondContact O-N 3.26Å; K45-V49 HydrophobicContact CG-CG2 4.42Å; K45-V49 WeakPolarHBondContact O-CG2 3.49Å; K45-V49 PolarHBondContact O-N 3.18Å; K45-P77 HydrophobicContact CG-CG 4.45Å; K45-V80 HydrophobicContact CG-CG2 4.29Å
46	S	96.9	Very high	94.2	Very high	50 Å²	50	64.6 Å²	64.6	35%	0.35	35%	0.346	S	S	.	.	H	α-helix	trans	-63.7	-35.9	-178.9	59.1	0	0	0	0	112.7	E42 V43 F48 N50	E42-S46 VanDerWaalsContact O-CB 3.24Å; E42-S46 WeakPolarHBondContact O-CB 3.44Å; E42-S46 PolarHBondContact O-N 2.93Å; E42-S46 PolarHBondContact O-OG 3.42Å; V43-S46 PolarHBondContact O-OG 3.05Å; S46-F48 PolarHBondContact O-N 3.31Å; S46-N50 WeakPolarHBondContact O-CB 3.36Å; S46-N50 PolarHBondContact O-N 3.22Å; S46-N50 PolarHBondContact O-ND2 3.02Å; S46-N50 VanDerWaalsContact O-ND2 3.09Å
47	R	95.9	Very high	94.9	Very high	37 Å²	37	60.9 Å²	60.9	14%	0.14	33%	0.325	C	S	.	.	H	α-helix	trans	-56.4	-50.5	175.5	175.5	168.4	64.7	100.1	-5.1	112	T30 E39 V43 F44 K45 A51 W65 E72	T30-R47 PolarHBondContact OG1-NH1 3.5Å; E39-R47 IonicContact OE1-CZ 3.3Å; E39-R47 IonicContact OE1-NE 3.05Å; E39-R47 PolarHBondContact OE1-NE 3.46Å; E39-R47 VanDerWaalsContact OE1-NE 3.13Å; E39-R47 IonicContact OE1-NH2 2.99Å; E39-R47 IonicContact OE2-CZ 2.73Å; E39-R47 IonicContact OE2-NE 2.92Å; E39-R47 IonicContact OE2-NH2 2.64Å; E39-R47 PolarHBondContact OE2-NH2 3.06Å; V43-R47 WeakPolarHBondContact O-CB 3.38Å; V43-R47 PolarHBondContact O-N 2.58Å; F44-R47 WeakPolarHBondContact O-CB 3.46Å; F44-R47 PolarHBondContact O-N 2.98Å; K45-R47 VanDerWaalsContact C-N 3.32Å; K45-R47 PolarHBondContact O-N 2.95Å; R47-A51 VanDerWaalsContact O-CB 3.31Å; R47-A51 WeakPolarHBondContact O-CB 3.44Å; R47-A51 PolarHBondContact O-N 2.85Å; R47-A51 VanDerWaalsContact O-N 3.12Å; R47-W65 HydrophobicContact CG-CZ3 4.32Å; R47-E72 IonicContact CZ-OE1 3.13Å; R47-E72 IonicContact NH1-OE1 2.73Å; R47-E72 IonicContact NH2-OE1 3.52Å; R47-E72 PolarHBondContact NH2-OE1 3.46Å
48	F	97.3	Very high	95.3	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-74.9	-39.7	-179.5	-72.4	-75.1	0	0	0	113	F44 K45 S46 A51 F52 W65 R68 L69 E72 V80	F44-F48 HydrophobicContact CD1-CD2 4.49Å; F44-F48 HydrophobicContact CD2-CD2 4.25Å; F44-F48 AromaticContact CD2-CE2 3.8Å; F44-F48 HydrophobicContact CD2-CE2 3.8Å; F44-F48 HydrophobicContact CE1-CD2 4.23Å; F44-F48 HydrophobicContact CE1-CE2 4.42Å; F44-F48 HydrophobicContact CE2-CD2 4.03Å; F44-F48 AromaticContact CE2-CE2 3.43Å; F44-F48 HydrophobicContact CE2-CE2 3.43Å; F44-F48 VanDerWaalsContact CE2-CE2 3.43Å; F44-F48 HydrophobicContact CE2-CZ 4.42Å; F44-F48 HydrophobicContact CG-CD2 4.48Å; F44-F48 HydrophobicContact CG-CE2 4.46Å; F44-F48 HydrophobicContact CZ-CD2 4Å; F44-F48 AromaticContact CZ-CE2 3.76Å; F44-F48 HydrophobicContact CZ-CE2 3.76Å; F44-F48 WeakPolarHBondContact O-CD2 3.35Å; F44-F48 PolarHBondContact O-N 2.88Å; K45-F48 PolarHBondContact O-N 3.26Å; S46-F48 PolarHBondContact O-N 3.31Å; F48-A51 PolarHBondContact O-N 3.5Å; F48-F52 HydrophobicContact CB-CD2 4.47Å; F48-F52 HydrophobicContact CB-CE2 4.39Å; F48-F52 HydrophobicContact CD1-CE2 4.35Å; F48-F52 WeakPolarHBondContact O-CD2 3.29Å; F48-F52 PolarHBondContact O-N 3.47Å; F48-W65 HydrophobicContact CD1-CE3 4.17Å; F48-W65 HydrophobicContact CE1-CE3 4.1Å; F48-R68 HydrophobicContact CE1-CB 4.15Å; F48-R68 HydrophobicContact CZ-CB 4.49Å; F48-L69 HydrophobicContact CD1-CB 4.09Å; F48-L69 HydrophobicContact CD1-CD1 3.86Å; F48-L69 HydrophobicContact CD2-CD1 3.76Å; F48-L69 HydrophobicContact CE1-CB 3.69Å; F48-L69 HydrophobicContact CE1-CD1 3.86Å; F48-L69 HydrophobicContact CE1-CG 4.4Å; F48-L69 HydrophobicContact CE2-CD1 3.79Å; F48-L69 HydrophobicContact CG-CD1 3.81Å; F48-L69 HydrophobicContact CZ-CB 4.16Å; F48-L69 HydrophobicContact CZ-CD1 3.83Å; F48-E72 HydrophobicContact CE2-CG 4.24Å; F48-E72 HydrophobicContact CZ-CG 4.01Å; F48-V80 HydrophobicContact CB-CB 4.43Å; F48-V80 HydrophobicContact CB-CG1 3.5Å; F48-V80 HydrophobicContact CB-CG2 4Å; F48-V80 HydrophobicContact CG-CG1 4.25Å
49	V	97.7	Very high	95.7	Very high	29 Å²	29	58 Å²	58	18%	0.176	31%	0.306	C	S	.	.	H	α-helix	trans	-59.4	-50.2	175.2	172.5	0	0	0	0	110.4	K45 A51 F52 D53 V80	K45-V49 HydrophobicContact CG-CG2 4.42Å; K45-V49 WeakPolarHBondContact O-CG2 3.49Å; K45-V49 PolarHBondContact O-N 3.18Å; V49-A51 VanDerWaalsContact C-N 3.29Å; V49-A51 PolarHBondContact O-N 3.31Å; V49-F52 PolarHBondContact O-N 3.04Å; V49-D53 VanDerWaalsContact CG1-OD2 3.25Å; V49-D53 WeakPolarHBondContact CG1-OD2 3.32Å; V49-D53 VanDerWaalsContact O-CB 3.28Å; V49-D53 WeakPolarHBondContact O-CB 3.47Å; V49-D53 PolarHBondContact O-N 3.26Å; V49-V80 HydrophobicContact CG2-CG2 3.82Å
50	N	97.7	Very high	96.1	Very high	111 Å²	111	64.2 Å²	64.2	59%	0.594	33%	0.328	S	S	*	.	H	α-helix	trans	-62.7	-36.6	179.5	-68.3	-24	0	0	0	112.3	S46 D54	S46-N50 WeakPolarHBondContact O-CB 3.36Å; S46-N50 PolarHBondContact O-N 3.22Å; S46-N50 PolarHBondContact O-ND2 3.02Å; S46-N50 VanDerWaalsContact O-ND2 3.09Å; N50-D54 PolarHBondContact O-N 3.43Å
51	A	97	Very high	96.2	Very high	13 Å²	13	66 Å²	66	11%	0.107	33%	0.327	C	S	.	.	H	α-helix	trans	-64.1	-45.5	175.5	0	0	0	0	0	112.2	R47 F48 V49 I57 W65	R47-A51 VanDerWaalsContact O-CB 3.31Å; R47-A51 WeakPolarHBondContact O-CB 3.44Å; R47-A51 PolarHBondContact O-N 2.85Å; R47-A51 VanDerWaalsContact O-N 3.12Å; F48-A51 PolarHBondContact O-N 3.5Å; V49-A51 VanDerWaalsContact C-N 3.29Å; V49-A51 PolarHBondContact O-N 3.31Å; A51-I57 WeakPolarHBondContact O-CD1 3.38Å; A51-W65 HydrophobicContact CB-CD2 3.5Å; A51-W65 VanDerWaalsContact CB-CE2 3.43Å; A51-W65 HydrophobicContact CB-CE3 3.94Å; A51-W65 HydrophobicContact CB-CG 3.84Å; A51-W65 HydrophobicContact CB-CH2 4.22Å; A51-W65 HydrophobicContact CB-CZ2 3.82Å; A51-W65 HydrophobicContact CB-CZ3 4.27Å
52	F	97.9	Very high	96.4	Very high	0 Å²	0	60 Å²	60	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-80.1	-20.6	179.6	-69.8	-54.4	0	0	0	114	F48 V49 I57 W65 M66 L69 V80 A87 R90	F48-F52 HydrophobicContact CB-CD2 4.47Å; F48-F52 HydrophobicContact CB-CE2 4.39Å; F48-F52 HydrophobicContact CD1-CE2 4.35Å; F48-F52 WeakPolarHBondContact O-CD2 3.29Å; F48-F52 PolarHBondContact O-N 3.47Å; V49-F52 PolarHBondContact O-N 3.04Å; F52-I57 HydrophobicContact CD1-CD1 4.22Å; F52-W65 HydrophobicContact CD1-CB 4.43Å; F52-W65 HydrophobicContact CE1-CB 3.7Å; F52-W65 HydrophobicContact CZ-CB 3.85Å; F52-M66 HydrophobicContact CE1-CE 4.45Å; F52-M66 HydrophobicContact CE1-CG 3.85Å; F52-M66 HydrophobicContact CZ-CG 3.83Å; F52-L69 HydrophobicContact CE2-CD2 4.39Å; F52-V80 HydrophobicContact CD2-CG1 4.17Å; F52-V80 HydrophobicContact CE2-CG1 3.99Å; F52-A87 HydrophobicContact CB-CB 4.38Å; F52-A87 HydrophobicContact CD1-CB 4.26Å; F52-R90 PolarHBondContact O-NH1 3.25Å; F52-R90 PolarHBondContact O-NH2 2.98Å
53	D	97.3	Very high	96.5	Very high	78 Å²	78	60.7 Å²	60.7	42%	0.417	30%	0.301	S	S	.	.	H	α-helix	trans	-87	-8.2	177.3	-78.5	-18.4	0	0	0	113	V49 P55 S83	V49-D53 VanDerWaalsContact CG1-OD2 3.25Å; V49-D53 WeakPolarHBondContact CG1-OD2 3.32Å; V49-D53 VanDerWaalsContact O-CB 3.28Å; V49-D53 WeakPolarHBondContact O-CB 3.47Å; V49-D53 PolarHBondContact O-N 3.26Å; D53-P55 VanDerWaalsContact O-CD 3.28Å; D53-P55 WeakPolarHBondContact O-CD 3.44Å; D53-P55 VanDerWaalsContact O-N 3.1Å; D53-S83 WeakPolarHBondContact OD1-CB 3.17Å
54	D	97.1	Very high	96.6	Very high	74 Å²	74	59.8 Å²	59.8	40%	0.396	30%	0.296	S	S	.	.			trans	-57	116.9	173	-172.4	-15.5	0	0	0	110.1	N50 K56 I57 R90	N50-D54 PolarHBondContact O-N 3.43Å; D54-K56 PolarHBondContact O-N 3.35Å; D54-K56 WeakPolarHBondContact OD1-CB 3.48Å; D54-K56 PolarHBondContact OD1-N 3.21Å; D54-I57 HydrophobicContact CB-CB 4.46Å; D54-I57 WeakPolarHBondContact O-CB 3.35Å; D54-I57 WeakPolarHBondContact O-CG2 3.37Å; D54-I57 PolarHBondContact O-N 3.09Å; D54-R90 PolarHBondContact O-NH2 3.35Å
55	P	95.5	Very high	96.7	Very high	107 Å²	107	61.3 Å²	61.3	70%	0.695	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-20	179.9	26.6	-35.2	0	0	0	112.9	D53	D53-P55 VanDerWaalsContact O-CD 3.28Å; D53-P55 WeakPolarHBondContact O-CD 3.44Å; D53-P55 VanDerWaalsContact O-N 3.1Å
56	K	95.5	Very high	96.7	Very high	183 Å²	183	60.1 Å²	60.1	80%	0.796	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	6.1	179.6	-60.3	-179.4	-177.7	177.8	0	113.2	D54 D58	D54-K56 PolarHBondContact O-N 3.35Å; D54-K56 WeakPolarHBondContact OD1-CB 3.48Å; D54-K56 PolarHBondContact OD1-N 3.21Å; K56-D58 PolarHBondContact O-N 3.3Å
57	I	96.5	Very high	96.6	Very high	14 Å²	14	62.7 Å²	62.7	7%	0.072	30%	0.303	C	S	.	.			trans	-54.9	126.5	178.1	-163.6	176.6	0	0	0	109.6	A51 F52 D54 W61 A62 A87 R90 L91	A51-I57 WeakPolarHBondContact O-CD1 3.38Å; F52-I57 HydrophobicContact CD1-CD1 4.22Å; D54-I57 HydrophobicContact CB-CB 4.46Å; D54-I57 WeakPolarHBondContact O-CB 3.35Å; D54-I57 WeakPolarHBondContact O-CG2 3.37Å; D54-I57 PolarHBondContact O-N 3.09Å; I57-W61 HydrophobicContact CG1-CB 3.93Å; I57-A62 HydrophobicContact CD1-CB 3.89Å; I57-A62 HydrophobicContact CG1-CB 4.26Å; I57-A87 HydrophobicContact CG2-CB 4.34Å; I57-R90 VanDerWaalsContact CG2-NH2 3.29Å; I57-L91 WeakPolarHBondContact O-CD2 3.4Å
58	D	95.9	Very high	96.5	Very high	69 Å²	69	64.8 Å²	64.8	37%	0.369	31%	0.311	S	S	.	.			trans	-92.6	169.1	173.8	70.5	34	0	0	0	110.7	K56 W60 W61 A62	K56-D58 PolarHBondContact O-N 3.3Å; D58-W60 PolarHBondContact O-N 3.15Å; D58-W60 WeakPolarHBondContact OD1-CA 3.47Å; D58-W60 WeakPolarHBondContact OD1-CB 3.47Å; D58-W60 PolarHBondContact OD1-N 3.48Å; D58-W61 PolarHBondContact O-N 2.86Å; D58-W61 PolarHBondContact OD1-N 3.5Å; D58-W61 VanDerWaalsContact OD2-CD1 3.27Å; D58-A62 WeakPolarHBondContact O-CB 3.29Å; D58-A62 PolarHBondContact O-N 3.37Å
59	G	94.9	Very high	96.4	Very high	21 Å²	21	65.2 Å²	65.2	22%	0.216	31%	0.313	C	S	.	.	H	α-helix	trans	-63	-26.5	-179.5	0	0	0	0	0	114	R63	G59-R63 WeakPolarHBondContact O-CG 3.22Å; G59-R63 PolarHBondContact O-N 3.01Å; G59-R63 PolarHBondContact O-NE 2.93Å; G59-R63 PolarHBondContact O-NH1 3.4Å
60	W	96.7	Very high	96.2	Very high	151 Å²	151	66.6 Å²	66.6	57%	0.572	32%	0.317	S	S	*	.	H	α-helix	trans	-74.9	-46.2	178	174.9	60.8	0	0	0	111.4	D58 R63 T64	D58-W60 PolarHBondContact O-N 3.15Å; D58-W60 WeakPolarHBondContact OD1-CA 3.47Å; D58-W60 WeakPolarHBondContact OD1-CB 3.47Å; D58-W60 PolarHBondContact OD1-N 3.48Å; W60-R63 PolarHBondContact O-N 2.85Å; W60-T64 WeakPolarHBondContact O-CB 3.25Å; W60-T64 PolarHBondContact O-N 3.46Å; W60-T64 PolarHBondContact O-OG1 3.18Å
61	W	96.9	Very high	95.9	Very high	100 Å²	100	65.8 Å²	65.8	38%	0.379	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-41.9	174.3	-77.6	116.9	0	0	0	111.6	I57 D58 R63 T64 W65	I57-W61 HydrophobicContact CG1-CB 3.93Å; D58-W61 PolarHBondContact O-N 2.86Å; D58-W61 PolarHBondContact OD1-N 3.5Å; D58-W61 VanDerWaalsContact OD2-CD1 3.27Å; W61-R63 PolarHBondContact O-N 3.44Å; W61-T64 HydrophobicContact CE3-CG2 4.46Å; W61-T64 PolarHBondContact O-N 3.44Å; W61-W65 WeakPolarHBondContact O-CB 3.14Å; W61-W65 PolarHBondContact O-N 3.07Å
62	A	97.2	Very high	95.6	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-57.1	-50.3	176	0	0	0	0	0	112.1	I57 D58 T64 W65 M66 L91 L96	I57-A62 HydrophobicContact CD1-CB 3.89Å; I57-A62 HydrophobicContact CG1-CB 4.26Å; D58-A62 WeakPolarHBondContact O-CB 3.29Å; D58-A62 PolarHBondContact O-N 3.37Å; A62-T64 VanDerWaalsContact C-N 3.33Å; A62-T64 PolarHBondContact O-N 2.95Å; A62-W65 PolarHBondContact O-N 2.83Å; A62-M66 VanDerWaalsContact O-CG 3.29Å; A62-M66 WeakPolarHBondContact O-CG 3.44Å; A62-M66 PolarHBondContact O-N 3.43Å; A62-L91 HydrophobicContact CB-CD1 3.46Å; A62-L91 VanDerWaalsContact CB-CD1 3.46Å; A62-L96 HydrophobicContact CB-CD2 4.36Å
63	R	96.5	Very high	95.2	Very high	125 Å²	125	73.2 Å²	73.2	47%	0.472	35%	0.35	S	S	.	.	H	α-helix	trans	-62.3	-40	175.7	-72.5	-173.2	-62.6	-88.8	0.3	112.5	G59 W60 W61 M66 Q67 L96	G59-R63 WeakPolarHBondContact O-CG 3.22Å; G59-R63 PolarHBondContact O-N 3.01Å; G59-R63 PolarHBondContact O-NE 2.93Å; G59-R63 PolarHBondContact O-NH1 3.4Å; W60-R63 PolarHBondContact O-N 2.85Å; W61-R63 PolarHBondContact O-N 3.44Å; R63-M66 PolarHBondContact O-N 3.19Å; R63-Q67 WeakPolarHBondContact O-CB 3.43Å; R63-Q67 PolarHBondContact O-N 2.84Å; R63-L96 HydrophobicContact CG-CD1 3.8Å; R63-L96 HydrophobicContact CG-CD2 4.05Å
64	T	96.6	Very high	94.8	Very high	31 Å²	31	71.7 Å²	71.7	19%	0.19	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-43.4	178.1	-59.1	0	0	0	0	111.4	W60 W61 A62 Q67 R68	W60-T64 WeakPolarHBondContact O-CB 3.25Å; W60-T64 PolarHBondContact O-N 3.46Å; W60-T64 PolarHBondContact O-OG1 3.18Å; W61-T64 HydrophobicContact CE3-CG2 4.46Å; W61-T64 PolarHBondContact O-N 3.44Å; A62-T64 VanDerWaalsContact C-N 3.33Å; A62-T64 PolarHBondContact O-N 2.95Å; T64-Q67 PolarHBondContact O-N 2.76Å; T64-R68 WeakPolarHBondContact O-CG 3.37Å; T64-R68 PolarHBondContact O-N 2.93Å
65	W	97	Very high	94.6	Very high	52 Å²	52	70.5 Å²	70.5	20%	0.197	34%	0.343	C	S	.	.	H	α-helix	trans	-68.3	-39.6	176.9	-75.6	118.7	0	0	0	112.5	R47 F48 A51 F52 W61 A62 R68 L69	R47-W65 HydrophobicContact CG-CZ3 4.32Å; F48-W65 HydrophobicContact CD1-CE3 4.17Å; F48-W65 HydrophobicContact CE1-CE3 4.1Å; A51-W65 HydrophobicContact CB-CD2 3.5Å; A51-W65 VanDerWaalsContact CB-CE2 3.43Å; A51-W65 HydrophobicContact CB-CE3 3.94Å; A51-W65 HydrophobicContact CB-CG 3.84Å; A51-W65 HydrophobicContact CB-CH2 4.22Å; A51-W65 HydrophobicContact CB-CZ2 3.82Å; A51-W65 HydrophobicContact CB-CZ3 4.27Å; F52-W65 HydrophobicContact CD1-CB 4.43Å; F52-W65 HydrophobicContact CE1-CB 3.7Å; F52-W65 HydrophobicContact CZ-CB 3.85Å; W61-W65 WeakPolarHBondContact O-CB 3.14Å; W61-W65 PolarHBondContact O-N 3.07Å; A62-W65 PolarHBondContact O-N 2.83Å; W65-R68 PolarHBondContact O-N 2.73Å; W65-L69 WeakPolarHBondContact O-CB 3.44Å; W65-L69 PolarHBondContact O-N 3.2Å
66	M	96.3	Very high	94.6	Very high	17 Å²	17	65.6 Å²	65.6	8%	0.084	31%	0.312	C	S	.	.	H	α-helix	trans	-63.3	-41.1	173	-71	178.6	167.8	0	0	112.2	F52 A62 R63 L69 H70 C88 L96 F100	F52-M66 HydrophobicContact CE1-CE 4.45Å; F52-M66 HydrophobicContact CE1-CG 3.85Å; F52-M66 HydrophobicContact CZ-CG 3.83Å; A62-M66 VanDerWaalsContact O-CG 3.29Å; A62-M66 WeakPolarHBondContact O-CG 3.44Å; A62-M66 PolarHBondContact O-N 3.43Å; R63-M66 PolarHBondContact O-N 3.19Å; M66-L69 PolarHBondContact O-N 3.33Å; M66-H70 WeakPolarHBondContact O-CB 3.35Å; M66-H70 PolarHBondContact O-N 3.43Å; M66-C88 WeakPolarHBondContact CE-SG 3.45Å; M66-L96 HydrophobicContact CE-CG 4.33Å; M66-L96 HydrophobicContact SD-CD1 3.8Å; M66-L96 HydrophobicContact SD-CD2 4.15Å; M66-L96 HydrophobicContact SD-CG 3.84Å; M66-F100 HydrophobicContact CB-CD2 4.19Å; M66-F100 HydrophobicContact CB-CE2 4.34Å; M66-F100 HydrophobicContact CE-CB 3.79Å; M66-F100 HydrophobicContact CE-CD1 3.75Å; M66-F100 HydrophobicContact CE-CD2 3.78Å; M66-F100 HydrophobicContact CE-CE1 4.23Å; M66-F100 HydrophobicContact CE-CE2 4.28Å; M66-F100 HydrophobicContact CE-CG 3.49Å; M66-F100 VanDerWaalsContact CE-CG 3.49Å; M66-F100 HydrophobicContact CE-CZ 4.49Å; M66-F100 HydrophobicContact CG-CD2 3.7Å; M66-F100 HydrophobicContact CG-CE2 3.83Å; M66-F100 HydrophobicContact CG-CG 4.38Å; M66-F100 HydrophobicContact SD-CB 3.99Å; M66-F100 HydrophobicContact SD-CD2 3.76Å; M66-F100 HydrophobicContact SD-CE2 4.44Å; M66-F100 HydrophobicContact SD-CG 3.93Å
67	Q	95.1	Very high	94.6	Very high	104 Å²	104	57.3 Å²	57.3	49%	0.486	28%	0.277	S	S	.	.	H	α-helix	trans	-63.9	-42.9	175.1	-179.6	61.6	77.9	0	0	111.2	R63 T64 H70 L71	R63-Q67 WeakPolarHBondContact O-CB 3.43Å; R63-Q67 PolarHBondContact O-N 2.84Å; T64-Q67 PolarHBondContact O-N 2.76Å; Q67-H70 PolarHBondContact O-N 3.26Å; Q67-L71 HydrophobicContact CG-CD1 4.39Å; Q67-L71 WeakPolarHBondContact O-CG 3.32Å; Q67-L71 PolarHBondContact O-N 3.24Å
68	R	94.6	Very high	94.6	Very high	81 Å²	81	57.3 Å²	57.3	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-61	-45.5	174.8	-76.1	174.2	177.7	144.6	2.6	111.4	T30 F48 T64 W65 H70 L71 E72	T30-R68 HydrophobicContact CG2-CB 4.13Å; T30-R68 HydrophobicContact CG2-CG 4.37Å; T30-R68 WeakPolarHBondContact CG2-O 3.27Å; F48-R68 HydrophobicContact CE1-CB 4.15Å; F48-R68 HydrophobicContact CZ-CB 4.49Å; T64-R68 WeakPolarHBondContact O-CG 3.37Å; T64-R68 PolarHBondContact O-N 2.93Å; W65-R68 PolarHBondContact O-N 2.73Å; R68-H70 VanDerWaalsContact C-N 3.26Å; R68-H70 PolarHBondContact O-N 3.26Å; R68-L71 PolarHBondContact O-N 2.66Å; R68-E72 WeakPolarHBondContact O-CG 3.46Å; R68-E72 PolarHBondContact O-N 3.37Å
69	L	94.7	Very high	94.7	Very high	10 Å²	10	58.4 Å²	58.4	5%	0.052	28%	0.281	C	S	.	.	H	α-helix	trans	-58.9	-40.4	176.1	-171.2	67.4	0	0	0	111.4	F44 F48 F52 W65 M66 L71 E72 P76 V80 F100	F44-L69 HydrophobicContact CZ-CD1 4.02Å; F48-L69 HydrophobicContact CD1-CB 4.09Å; F48-L69 HydrophobicContact CD1-CD1 3.86Å; F48-L69 HydrophobicContact CD2-CD1 3.76Å; F48-L69 HydrophobicContact CE1-CB 3.69Å; F48-L69 HydrophobicContact CE1-CD1 3.86Å; F48-L69 HydrophobicContact CE1-CG 4.4Å; F48-L69 HydrophobicContact CE2-CD1 3.79Å; F48-L69 HydrophobicContact CG-CD1 3.81Å; F48-L69 HydrophobicContact CZ-CB 4.16Å; F48-L69 HydrophobicContact CZ-CD1 3.83Å; F52-L69 HydrophobicContact CE2-CD2 4.39Å; W65-L69 WeakPolarHBondContact O-CB 3.44Å; W65-L69 PolarHBondContact O-N 3.2Å; M66-L69 PolarHBondContact O-N 3.33Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 2.85Å; L69-E72 WeakPolarHBondContact O-CB 3.35Å; L69-E72 PolarHBondContact O-N 3.35Å; L69-P76 HydrophobicContact CD1-CB 4Å; L69-P76 HydrophobicContact CD2-CB 3.83Å; L69-P76 HydrophobicContact CD2-CG 4.38Å; L69-P76 HydrophobicContact CG-CB 4.09Å; L69-V80 HydrophobicContact CD1-CG1 4.05Å; L69-V80 HydrophobicContact CD2-CG1 3.81Å; L69-F100 HydrophobicContact CD2-CE2 3.88Å; L69-F100 HydrophobicContact CD2-CZ 3.85Å
70	H	93.1	Very high	94.8	Very high	58 Å²	58	57.4 Å²	57.4	27%	0.269	27%	0.27	S	S	.	.	H	α-helix	trans	-70.5	-23.1	176.8	-170.3	85.1	0	0	0	113.7	M66 Q67 R68 E72 S103 F106 K107	M66-H70 WeakPolarHBondContact O-CB 3.35Å; M66-H70 PolarHBondContact O-N 3.43Å; Q67-H70 PolarHBondContact O-N 3.26Å; R68-H70 VanDerWaalsContact C-N 3.26Å; R68-H70 PolarHBondContact O-N 3.26Å; H70-E72 VanDerWaalsContact C-N 3.32Å; H70-S103 PolarHBondContact ND1-OG 3.45Å; H70-F106 AromaticContact CE1-CD1 3.96Å; H70-K107 WeakPolarHBondContact O-CE 3.25Å; H70-K107 PolarHBondContact O-NZ 2.97Å
71	L	91.8	Very high	94.8	Very high	94 Å²	94	50.2 Å²	50.2	49%	0.492	24%	0.243	S	C	.	.	H	α-helix	trans	-80.2	-15.3	175.5	-71.6	171.7	0	0	0	113.1	T30 Q67 R68 L69	T30-L71 HydrophobicContact CG2-CB 3.81Å; Q67-L71 HydrophobicContact CG-CD1 4.39Å; Q67-L71 WeakPolarHBondContact O-CG 3.32Å; Q67-L71 PolarHBondContact O-N 3.24Å; R68-L71 PolarHBondContact O-N 2.66Å; L69-L71 VanDerWaalsContact C-N 3.31Å; L69-L71 PolarHBondContact O-N 2.85Å
72	E	90.8	Very high	94.9	Very high	12 Å²	12	47 Å²	47	6%	0.056	23%	0.233	C	C	.	.	S	Bend	trans	-72	137.7	174	-59	-79	176.7	0	0	109.5	S29 T30 F44 R47 F48 R68 L69 H70 A74 K107	S29-E72 WeakPolarHBondContact CA-OE2 3.5Å; T30-E72 VanDerWaalsContact CB-OE1 3.28Å; T30-E72 WeakPolarHBondContact CB-OE1 3.43Å; T30-E72 HydrophobicContact CG2-CG 4.23Å; T30-E72 PolarHBondContact N-OE1 2.63Å; T30-E72 PolarHBondContact OG1-OE1 3.45Å; F44-E72 HydrophobicContact CE2-CB 3.95Å; F44-E72 HydrophobicContact CE2-CG 3.67Å; F44-E72 HydrophobicContact CZ-CB 4.41Å; F44-E72 HydrophobicContact CZ-CG 4.41Å; R47-E72 IonicContact CZ-OE1 3.13Å; R47-E72 IonicContact NH1-OE1 2.73Å; R47-E72 IonicContact NH2-OE1 3.52Å; R47-E72 PolarHBondContact NH2-OE1 3.46Å; F48-E72 HydrophobicContact CE2-CG 4.24Å; F48-E72 HydrophobicContact CZ-CG 4.01Å; R68-E72 WeakPolarHBondContact O-CG 3.46Å; R68-E72 PolarHBondContact O-N 3.37Å; L69-E72 WeakPolarHBondContact O-CB 3.35Å; L69-E72 PolarHBondContact O-N 3.35Å; H70-E72 VanDerWaalsContact C-N 3.32Å; E72-A74 PolarHBondContact O-N 2.95Å; E72-K107 PolarHBondContact O-NZ 2.95Å
73	D	89.2	Confident	94.9	Very high	156 Å²	156	47.2 Å²	47.2	83%	0.834	23%	0.234	S	C	*	.	S	Bend	trans	-82.8	57.8	176.8	-168.8	25.7	0	0	0	110.8
74	A	89	Confident	94.9	Very high	46 Å²	46	41.3 Å²	41.3	38%	0.38	21%	0.212	S	C	.	.	S	Bend	trans	-151.9	152.5	-179.2	0	0	0	0	0	111.3	E72	E72-A74 PolarHBondContact O-N 2.95Å
75	V	93	Very high	95	Very high	49 Å²	49	39.9 Å²	39.9	30%	0.297	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-73.8	126.7	162.3	177.5	0	0	0	0	107.6	M118	V75-M118 HydrophobicContact CG1-CE 4.1Å
76	P	94.6	Very high	95	Very high	5 Å²	5	41.6 Å²	41.6	3%	0.032	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-67.3	143.4	-178	27.5	-34.7	0	0	0	111.3	L69 V81 V104 M118	L69-P76 HydrophobicContact CD1-CB 4Å; L69-P76 HydrophobicContact CD2-CB 3.83Å; L69-P76 HydrophobicContact CD2-CG 4.38Å; L69-P76 HydrophobicContact CG-CB 4.09Å; P76-V81 HydrophobicContact CB-CG2 4.07Å; P76-V81 HydrophobicContact CG-CG2 3.83Å; P76-V104 HydrophobicContact CG-CG1 4.23Å; P76-V104 HydrophobicContact CG-CG2 4.07Å; P76-M118 WeakPolarHBondContact O-CE 3.31Å
77	P	95.6	Very high	95	Very high	9 Å²	9	40.8 Å²	40.8	6%	0.058	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-60.5	146.8	171.9	-23	32.4	0	0	0	112	Y41 F44 K45 E79 V80 V81	Y41-P77 HydrophobicContact CE2-CG 3.95Å; F44-P77 HydrophobicContact CE1-CG 4.25Å; K45-P77 HydrophobicContact CG-CG 4.45Å; P77-E79 WeakPolarHBondContact CB-OE2 3.01Å; P77-E79 PolarHBondContact O-N 2.97Å; P77-V80 HydrophobicContact CB-CG2 4.25Å; P77-V80 HydrophobicContact CG-CG2 4.24Å; P77-V80 WeakPolarHBondContact O-CB 3.49Å; P77-V80 PolarHBondContact O-N 3.38Å; P77-V81 PolarHBondContact O-N 3.2Å
78	P	97.1	Very high	95.1	Very high	13 Å²	13	35.9 Å²	35.9	8%	0.084	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-33	-177.8	23.6	-33.7	0	0	0	112.1	V80 V81 I82 W117 M118 E121	P78-V80 VanDerWaalsContact C-N 3.29Å; P78-V80 PolarHBondContact O-N 3.25Å; P78-V81 PolarHBondContact O-N 2.89Å; P78-V81 VanDerWaalsContact O-N 3.16Å; P78-I82 WeakPolarHBondContact O-CB 3.49Å; P78-I82 VanDerWaalsContact O-CG1 3.22Å; P78-I82 WeakPolarHBondContact O-CG1 3.46Å; P78-I82 PolarHBondContact O-N 3.32Å; P78-W117 VanDerWaalsContact CD-CH2 3.47Å; P78-W117 HydrophobicContact CG-CH2 3.94Å; P78-W117 HydrophobicContact CG-CZ2 3.87Å; P78-M118 HydrophobicContact CB-SD 4.17Å; P78-E121 HydrophobicContact CB-CB 3.76Å; P78-E121 HydrophobicContact CB-CG 4.23Å; P78-E121 HydrophobicContact CG-CB 4.47Å; P78-E121 HydrophobicContact CG-CG 4.43Å
79	E	97.2	Very high	95.2	Very high	93 Å²	93	37.7 Å²	37.7	44%	0.435	20%	0.195	S	C	.	.	H	α-helix	trans	-63.4	-36.3	177.4	-54.4	91.3	153.7	0	0	112.1	P77 S83	P77-E79 WeakPolarHBondContact CB-OE2 3.01Å; P77-E79 PolarHBondContact O-N 2.97Å; E79-S83 PolarHBondContact O-N 3.48Å; E79-S83 PolarHBondContact O-OG 3.24Å
80	V	97.7	Very high	95.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-69.8	-39.5	175.1	175.5	0	0	0	0	110.7	K45 F48 V49 F52 L69 P77 P78 S83 G84	K45-V80 HydrophobicContact CG-CG2 4.29Å; F48-V80 HydrophobicContact CB-CB 4.43Å; F48-V80 HydrophobicContact CB-CG1 3.5Å; F48-V80 HydrophobicContact CB-CG2 4Å; F48-V80 HydrophobicContact CG-CG1 4.25Å; V49-V80 HydrophobicContact CG2-CG2 3.82Å; F52-V80 HydrophobicContact CD2-CG1 4.17Å; F52-V80 HydrophobicContact CE2-CG1 3.99Å; L69-V80 HydrophobicContact CD1-CG1 4.05Å; L69-V80 HydrophobicContact CD2-CG1 3.81Å; P77-V80 HydrophobicContact CB-CG2 4.25Å; P77-V80 HydrophobicContact CG-CG2 4.24Å; P77-V80 WeakPolarHBondContact O-CB 3.49Å; P77-V80 PolarHBondContact O-N 3.38Å; P78-V80 VanDerWaalsContact C-N 3.29Å; P78-V80 PolarHBondContact O-N 3.25Å; V80-S83 PolarHBondContact O-OG 3.28Å; V80-G84 PolarHBondContact O-N 3.43Å
81	V	97.6	Very high	95.4	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.3	-43.6	177.2	-178.4	0	0	0	0	110.3	P76 P77 P78 G84 L85 F100 V104 M118 I122	P76-V81 HydrophobicContact CB-CG2 4.07Å; P76-V81 HydrophobicContact CG-CG2 3.83Å; P77-V81 PolarHBondContact O-N 3.2Å; P78-V81 PolarHBondContact O-N 2.89Å; P78-V81 VanDerWaalsContact O-N 3.16Å; V81-G84 PolarHBondContact O-N 3.22Å; V81-L85 HydrophobicContact CG1-CD1 4.33Å; V81-L85 HydrophobicContact CG1-CG 4.46Å; V81-L85 WeakPolarHBondContact O-CG 3.34Å; V81-L85 PolarHBondContact O-N 3.17Å; V81-F100 HydrophobicContact CB-CE1 4.43Å; V81-F100 HydrophobicContact CG1-CE1 3.96Å; V81-V104 HydrophobicContact CG1-CG2 4.28Å; V81-V104 HydrophobicContact CG2-CG1 4.28Å; V81-V104 HydrophobicContact CG2-CG2 3.98Å; V81-M118 HydrophobicContact CB-SD 4.46Å; V81-M118 HydrophobicContact CG2-CE 4.41Å; V81-M118 HydrophobicContact CG2-SD 4.04Å; V81-I122 HydrophobicContact CB-CG2 4.2Å; V81-I122 HydrophobicContact CG1-CG2 3.82Å
82	I	97.8	Very high	95.6	Very high	33 Å²	33	44.2 Å²	44.2	17%	0.169	23%	0.225	C	C	.	.	H	α-helix	trans	-61.5	-45	177.7	-70.4	167.2	0	0	0	111.4	P78 L85 K86 T125	P78-I82 WeakPolarHBondContact O-CB 3.49Å; P78-I82 VanDerWaalsContact O-CG1 3.22Å; P78-I82 WeakPolarHBondContact O-CG1 3.46Å; P78-I82 PolarHBondContact O-N 3.32Å; I82-L85 PolarHBondContact O-N 3.05Å; I82-K86 HydrophobicContact CG2-CD 4.22Å; I82-K86 WeakPolarHBondContact O-CG 3.45Å; I82-K86 PolarHBondContact O-N 3.43Å; I82-T125 HydrophobicContact CG1-CG2 4.44Å; I82-T125 HydrophobicContact CG2-CG2 4.03Å
83	S	97.7	Very high	95.9	Very high	4 Å²	4	46.1 Å²	46.1	3%	0.028	24%	0.235	C	C	.	.	H	α-helix	trans	-64.6	-40.5	176.3	62.1	0	0	0	0	111.5	D53 E79 V80 L85 K86 A87	D53-S83 WeakPolarHBondContact OD1-CB 3.17Å; E79-S83 PolarHBondContact O-N 3.48Å; E79-S83 PolarHBondContact O-OG 3.24Å; V80-S83 PolarHBondContact O-OG 3.28Å; S83-L85 PolarHBondContact O-N 3.39Å; S83-K86 PolarHBondContact O-N 2.89Å; S83-A87 WeakPolarHBondContact O-CB 3.43Å; S83-A87 PolarHBondContact O-N 3.5Å
84	G	97.3	Very high	96.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58.4	-46.2	172.8	0	0	0	0	0	113.2	V80 V81 K86 A87 C88	V80-G84 PolarHBondContact O-N 3.43Å; V81-G84 PolarHBondContact O-N 3.22Å; G84-K86 PolarHBondContact O-N 2.94Å; G84-A87 WeakPolarHBondContact O-CB 3.28Å; G84-A87 PolarHBondContact O-N 3.38Å; G84-C88 PolarHBondContact O-N 2.98Å; G84-C88 PolarHBondContact O-SG 3.03Å
85	L	97.5	Very high	96.4	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-64.4	-40.5	176.6	-69	177.1	0	0	0	112.2	V81 I82 S83 A87 C88 K89 A97 F100 V101 T125 M126 L129 L131	V81-L85 HydrophobicContact CG1-CD1 4.33Å; V81-L85 HydrophobicContact CG1-CG 4.46Å; V81-L85 WeakPolarHBondContact O-CG 3.34Å; V81-L85 PolarHBondContact O-N 3.17Å; I82-L85 PolarHBondContact O-N 3.05Å; S83-L85 PolarHBondContact O-N 3.39Å; L85-A87 VanDerWaalsContact C-N 3.31Å; L85-A87 PolarHBondContact O-N 3.26Å; L85-C88 WeakPolarHBondContact O-CB 3.33Å; L85-C88 PolarHBondContact O-N 3Å; L85-K89 PolarHBondContact O-N 3Å; L85-K89 VanDerWaalsContact O-N 3.09Å; L85-A97 HydrophobicContact CD2-CB 4.2Å; L85-F100 HydrophobicContact CD2-CD1 4.13Å; L85-F100 HydrophobicContact CG-CD1 4.48Å; L85-V101 HydrophobicContact CD2-CG2 3.85Å; L85-T125 HydrophobicContact CB-CG2 4.46Å; L85-T125 HydrophobicContact CD1-CG2 4.43Å; L85-M126 HydrophobicContact CD1-CG 4.21Å; L85-L129 HydrophobicContact CB-CD1 3.79Å; L85-L131 HydrophobicContact CD2-CD1 3.87Å
86	K	97.1	Very high	96.5	Very high	89 Å²	89	42.7 Å²	42.7	39%	0.387	22%	0.216	S	C	.	.	H	α-helix	trans	-62.6	-39	173.1	-73.1	173.7	-179	174.3	0	111.3	I82 S83 G84 K89 R90	I82-K86 HydrophobicContact CG2-CD 4.22Å; I82-K86 WeakPolarHBondContact O-CG 3.45Å; I82-K86 PolarHBondContact O-N 3.43Å; S83-K86 PolarHBondContact O-N 2.89Å; G84-K86 PolarHBondContact O-N 2.94Å; K86-K89 WeakPolarHBondContact O-CB 3.31Å; K86-K89 PolarHBondContact O-N 2.7Å; K86-R90 WeakPolarHBondContact O-CG 3.37Å; K86-R90 PolarHBondContact O-N 3.35Å
87	A	97.5	Very high	96.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-44.2	174.8	0	0	0	0	0	111.8	F52 I57 S83 G84 L85 K89 R90 L91	F52-A87 HydrophobicContact CB-CB 4.38Å; F52-A87 HydrophobicContact CD1-CB 4.26Å; I57-A87 HydrophobicContact CG2-CB 4.34Å; S83-A87 WeakPolarHBondContact O-CB 3.43Å; S83-A87 PolarHBondContact O-N 3.5Å; G84-A87 WeakPolarHBondContact O-CB 3.28Å; G84-A87 PolarHBondContact O-N 3.38Å; L85-A87 VanDerWaalsContact C-N 3.31Å; L85-A87 PolarHBondContact O-N 3.26Å; A87-K89 VanDerWaalsContact C-N 3.28Å; A87-K89 PolarHBondContact O-N 2.94Å; A87-R90 PolarHBondContact O-N 3.3Å; A87-R90 VanDerWaalsContact O-N 3.15Å; A87-L91 WeakPolarHBondContact O-CG 3.35Å; A87-L91 PolarHBondContact O-N 2.65Å
88	C	96.9	Very high	96.6	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-58.7	-38.8	173.9	-67.3	0	0	0	0	112.7	M66 G84 L85 L91 N92 D93 A97	M66-C88 WeakPolarHBondContact CE-SG 3.45Å; G84-C88 PolarHBondContact O-N 2.98Å; G84-C88 PolarHBondContact O-SG 3.03Å; L85-C88 WeakPolarHBondContact O-CB 3.33Å; L85-C88 PolarHBondContact O-N 3Å; C88-L91 CarbonylContact O-C 3.58Å; C88-L91 PolarHBondContact O-N 3.04Å; C88-N92 PolarHBondContact O-N 3.33Å; C88-D93 PolarHBondContact O-N 3.18Å; C88-A97 HydrophobicContact CB-CB 3.77Å
89	K	96	Very high	96.4	Very high	119 Å²	119	48.2 Å²	48.2	52%	0.517	24%	0.235	S	C	.	.	H	α-helix	trans	-64.9	-41.7	175.5	-172.3	69.6	171.8	-167.3	0	112.2	L85 K86 A87 L91 N92 L129	L85-K89 PolarHBondContact O-N 3Å; L85-K89 VanDerWaalsContact O-N 3.09Å; K86-K89 WeakPolarHBondContact O-CB 3.31Å; K86-K89 PolarHBondContact O-N 2.7Å; A87-K89 VanDerWaalsContact C-N 3.28Å; A87-K89 PolarHBondContact O-N 2.94Å; K89-L91 VanDerWaalsContact C-N 3.28Å; K89-L91 PolarHBondContact O-N 3.2Å; K89-N92 PolarHBondContact O-N 2.96Å; K89-L129 HydrophobicContact CB-CD2 3.81Å; K89-L129 HydrophobicContact CD-CD2 4.23Å; K89-L129 HydrophobicContact CG-CD2 3.79Å; K89-L129 PolarHBondContact NZ-O 3.01Å
90	R	96.2	Very high	96.3	Very high	104 Å²	104	44.1 Å²	44.1	39%	0.392	22%	0.216	S	C	.	.	H	α-helix	trans	-62.7	-37.2	176.7	-64	-167.1	-51.5	-87.4	5.7	111.9	F52 D54 I57 K86 A87 N92	F52-R90 PolarHBondContact O-NH1 3.25Å; F52-R90 PolarHBondContact O-NH2 2.98Å; D54-R90 PolarHBondContact O-NH2 3.35Å; I57-R90 VanDerWaalsContact CG2-NH2 3.29Å; K86-R90 WeakPolarHBondContact O-CG 3.37Å; K86-R90 PolarHBondContact O-N 3.35Å; A87-R90 PolarHBondContact O-N 3.3Å; A87-R90 VanDerWaalsContact O-N 3.15Å; R90-N92 PolarHBondContact O-N 2.85Å
91	L	96.3	Very high	96.2	Very high	52 Å²	52	44.3 Å²	44.3	27%	0.272	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-7.4	175.3	-69.6	172.5	0	0	0	113.9	I57 A62 A87 C88 K89 D93	I57-L91 WeakPolarHBondContact O-CD2 3.4Å; A62-L91 HydrophobicContact CB-CD1 3.46Å; A62-L91 VanDerWaalsContact CB-CD1 3.46Å; A87-L91 WeakPolarHBondContact O-CG 3.35Å; A87-L91 PolarHBondContact O-N 2.65Å; C88-L91 CarbonylContact O-C 3.58Å; C88-L91 PolarHBondContact O-N 3.04Å; K89-L91 VanDerWaalsContact C-N 3.28Å; K89-L91 PolarHBondContact O-N 3.2Å; L91-D93 HydrophobicContact CB-CB 4.46Å; L91-D93 PolarHBondContact O-N 3.2Å
92	N	95.8	Very high	96	Very high	142 Å²	142	46.3 Å²	46.3	76%	0.759	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	35.9	-173.8	-166.4	48	0	0	0	113.3	C88 K89 R90	C88-N92 PolarHBondContact O-N 3.33Å; K89-N92 PolarHBondContact O-N 2.96Å; R90-N92 PolarHBondContact O-N 2.85Å
93	D	96.1	Very high	95.8	Very high	53 Å²	53	46.2 Å²	46.2	28%	0.283	23%	0.229	S	C	.	.			trans	-113.2	90.6	-178.9	-167.8	-18.4	0	0	0	110.6	C88 L91 A95 L96 A97	C88-D93 PolarHBondContact O-N 3.18Å; L91-D93 HydrophobicContact CB-CB 4.46Å; L91-D93 PolarHBondContact O-N 3.2Å; D93-A95 PolarHBondContact OD1-N 3.01Å; D93-L96 HydrophobicContact CB-CB 4.01Å; D93-L96 WeakPolarHBondContact OD1-CB 3.44Å; D93-L96 PolarHBondContact OD1-N 3.31Å; D93-L96 WeakPolarHBondContact OD2-CB 3.32Å; D93-A97 PolarHBondContact O-N 2.8Å
94	I	95.4	Very high	95.6	Very high	97 Å²	97	46.2 Å²	46.2	50%	0.497	23%	0.228	S	C	.	.	H	α-helix	trans	-70.4	-33.2	177.6	-169.7	169.2	0	0	0	112.2	L96 A97 I98 L131	I94-L96 VanDerWaalsContact C-N 3.34Å; I94-L96 PolarHBondContact O-N 3.32Å; I94-A97 WeakPolarHBondContact O-CB 3.44Å; I94-A97 PolarHBondContact O-N 2.79Å; I94-I98 HydrophobicContact CG1-CD1 4.09Å; I94-I98 WeakPolarHBondContact O-CG1 3.05Å; I94-I98 PolarHBondContact O-N 3.06Å; I94-L131 HydrophobicContact CD1-CD2 4.29Å; I94-L131 HydrophobicContact CG1-CD2 3.82Å
95	A	94.4	Very high	95.4	Very high	58 Å²	58	47.9 Å²	47.9	48%	0.479	24%	0.236	S	C	.	.	H	α-helix	trans	-65	-43.2	-179.8	0	0	0	0	0	110.1	D93 A97 I98 R99	D93-A95 PolarHBondContact OD1-N 3.01Å; A95-A97 VanDerWaalsContact C-N 3.34Å; A95-A97 PolarHBondContact O-N 2.87Å; A95-I98 PolarHBondContact O-N 3.33Å; A95-R99 WeakPolarHBondContact O-CG 3.43Å; A95-R99 PolarHBondContact O-N 3.24Å
96	L	95.3	Very high	95.1	Very high	24 Å²	24	53.5 Å²	53.5	13%	0.126	26%	0.26	C	S	.	.	H	α-helix	trans	-62.5	-40.1	175	-173.6	62.1	0	0	0	112.2	A62 R63 M66 D93 I94 R99 F100	A62-L96 HydrophobicContact CB-CD2 4.36Å; R63-L96 HydrophobicContact CG-CD1 3.8Å; R63-L96 HydrophobicContact CG-CD2 4.05Å; M66-L96 HydrophobicContact CE-CG 4.33Å; M66-L96 HydrophobicContact SD-CD1 3.8Å; M66-L96 HydrophobicContact SD-CD2 4.15Å; M66-L96 HydrophobicContact SD-CG 3.84Å; D93-L96 HydrophobicContact CB-CB 4.01Å; D93-L96 WeakPolarHBondContact OD1-CB 3.44Å; D93-L96 PolarHBondContact OD1-N 3.31Å; D93-L96 WeakPolarHBondContact OD2-CB 3.32Å; I94-L96 VanDerWaalsContact C-N 3.34Å; I94-L96 PolarHBondContact O-N 3.32Å; L96-R99 PolarHBondContact O-N 3.3Å; L96-F100 VanDerWaalsContact O-CB 3.26Å; L96-F100 WeakPolarHBondContact O-CB 3.46Å; L96-F100 PolarHBondContact O-N 2.93Å
97	A	96.5	Very high	94.8	Very high	2 Å²	2	51.1 Å²	51.1	2%	0.017	25%	0.25	C	S	.	.	H	α-helix	trans	-60.2	-46.2	175.5	0	0	0	0	0	111.8	L85 C88 D93 I94 A95 F100 V101 L131	L85-A97 HydrophobicContact CD2-CB 4.2Å; C88-A97 HydrophobicContact CB-CB 3.77Å; D93-A97 PolarHBondContact O-N 2.8Å; I94-A97 WeakPolarHBondContact O-CB 3.44Å; I94-A97 PolarHBondContact O-N 2.79Å; A95-A97 VanDerWaalsContact C-N 3.34Å; A95-A97 PolarHBondContact O-N 2.87Å; A97-F100 WeakPolarHBondContact O-CB 3.41Å; A97-F100 PolarHBondContact O-N 3.4Å; A97-V101 WeakPolarHBondContact O-CG2 3.24Å; A97-V101 PolarHBondContact O-N 3.36Å; A97-L131 HydrophobicContact CB-CD1 4.03Å; A97-L131 HydrophobicContact CB-CD2 3.85Å
98	I	94.8	Very high	94.6	Very high	25 Å²	25	51.3 Å²	51.3	13%	0.128	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-48.6	179	-66.2	162.5	0	0	0	110.6	I94 A95 F100 V101 E102 P132 L134 L137	I94-I98 HydrophobicContact CG1-CD1 4.09Å; I94-I98 WeakPolarHBondContact O-CG1 3.05Å; I94-I98 PolarHBondContact O-N 3.06Å; A95-I98 PolarHBondContact O-N 3.33Å; I98-F100 PolarHBondContact O-N 2.72Å; I98-V101 PolarHBondContact O-N 3.03Å; I98-E102 PolarHBondContact O-N 3.47Å; I98-P132 HydrophobicContact CD1-CG 4.49Å; I98-L134 HydrophobicContact CG2-CD2 4.14Å; I98-L137 HydrophobicContact CD1-CD1 3.73Å; I98-L137 HydrophobicContact CG1-CD1 3.99Å; I98-L137 HydrophobicContact CG2-CD1 3.76Å
99	R	93.4	Very high	94.1	Very high	116 Å²	116	57.7 Å²	57.7	44%	0.438	28%	0.279	S	S	.	.	H	α-helix	trans	-60.9	-34.1	177.2	-66.7	-56.3	101.5	-178.8	1.1	112.1	A95 L96 E102 S103	A95-R99 WeakPolarHBondContact O-CG 3.43Å; A95-R99 PolarHBondContact O-N 3.24Å; L96-R99 PolarHBondContact O-N 3.3Å; R99-E102 VanDerWaalsContact CD-OE2 3.28Å; R99-E102 WeakPolarHBondContact CD-OE2 3.01Å; R99-E102 IonicContact CZ-OE1 2.63Å; R99-E102 IonicContact CZ-OE2 3.78Å; R99-E102 IonicContact NE-OE1 3.75Å; R99-E102 IonicContact NE-OE2 3.54Å; R99-E102 PolarHBondContact NE-OE2 3.3Å; R99-E102 IonicContact NH1-OE1 2.82Å; R99-E102 PolarHBondContact NH1-OE1 2.99Å; R99-E102 IonicContact NH1-OE2 3.84Å; R99-E102 PolarHBondContact NH1-OE2 3.49Å; R99-E102 IonicContact NH2-OE1 2.66Å; R99-E102 PolarHBondContact NH2-OE1 3.35Å; R99-E102 IonicContact NH2-OE2 2.65Å; R99-E102 PolarHBondContact NH2-OE2 3.2Å; R99-E102 PolarHBondContact O-N 3.13Å; R99-S103 WeakPolarHBondContact O-CB 3.22Å; R99-S103 PolarHBondContact O-N 3.19Å
100	F	95.8	Very high	93.6	Very high	6 Å²	6	58.3 Å²	58.3	3%	0.026	29%	0.292	C	S	.	.	H	α-helix	trans	-66.4	-44	176.2	-175.9	-125.1	0	0	0	111.7	M66 L69 V81 L85 L96 A97 I98 E102 S103 V104	M66-F100 HydrophobicContact CB-CD2 4.19Å; M66-F100 HydrophobicContact CB-CE2 4.34Å; M66-F100 HydrophobicContact CE-CB 3.79Å; M66-F100 HydrophobicContact CE-CD1 3.75Å; M66-F100 HydrophobicContact CE-CD2 3.78Å; M66-F100 HydrophobicContact CE-CE1 4.23Å; M66-F100 HydrophobicContact CE-CE2 4.28Å; M66-F100 HydrophobicContact CE-CG 3.49Å; M66-F100 VanDerWaalsContact CE-CG 3.49Å; M66-F100 HydrophobicContact CE-CZ 4.49Å; M66-F100 HydrophobicContact CG-CD2 3.7Å; M66-F100 HydrophobicContact CG-CE2 3.83Å; M66-F100 HydrophobicContact CG-CG 4.38Å; M66-F100 HydrophobicContact SD-CB 3.99Å; M66-F100 HydrophobicContact SD-CD2 3.76Å; M66-F100 HydrophobicContact SD-CE2 4.44Å; M66-F100 HydrophobicContact SD-CG 3.93Å; L69-F100 HydrophobicContact CD2-CE2 3.88Å; L69-F100 HydrophobicContact CD2-CZ 3.85Å; V81-F100 HydrophobicContact CB-CE1 4.43Å; V81-F100 HydrophobicContact CG1-CE1 3.96Å; L85-F100 HydrophobicContact CD2-CD1 4.13Å; L85-F100 HydrophobicContact CG-CD1 4.48Å; L96-F100 VanDerWaalsContact O-CB 3.26Å; L96-F100 WeakPolarHBondContact O-CB 3.46Å; L96-F100 PolarHBondContact O-N 2.93Å; A97-F100 WeakPolarHBondContact O-CB 3.41Å; A97-F100 PolarHBondContact O-N 3.4Å; I98-F100 PolarHBondContact O-N 2.72Å; F100-E102 VanDerWaalsContact C-N 3.34Å; F100-E102 PolarHBondContact O-N 3.47Å; F100-S103 WeakPolarHBondContact O-CB 3.45Å; F100-S103 PolarHBondContact O-N 3.18Å; F100-V104 HydrophobicContact CE2-CG2 4.31Å; F100-V104 HydrophobicContact CZ-CG2 4.29Å; F100-V104 WeakPolarHBondContact O-CG2 3.2Å; F100-V104 PolarHBondContact O-N 3.3Å
101	V	95.1	Very high	93.1	Very high	5 Å²	5	55.6 Å²	55.6	3%	0.03	29%	0.292	C	S	.	.	H	α-helix	trans	-62.3	-40.7	175.8	178.6	0	0	0	0	111.6	L85 A97 I98 S103 V104 K105 W115 L134	L85-V101 HydrophobicContact CD2-CG2 3.85Å; A97-V101 WeakPolarHBondContact O-CG2 3.24Å; A97-V101 PolarHBondContact O-N 3.36Å; I98-V101 PolarHBondContact O-N 3.03Å; V101-S103 PolarHBondContact O-N 3.09Å; V101-V104 PolarHBondContact O-N 3.47Å; V101-K105 PolarHBondContact O-N 3.04Å; V101-W115 HydrophobicContact CG1-CH2 3.68Å; V101-W115 HydrophobicContact CG1-CZ3 4.49Å; V101-L134 HydrophobicContact CG1-CD1 3.89Å; V101-L134 HydrophobicContact CG1-CD2 4.34Å; V101-L134 HydrophobicContact CG1-CG 3.97Å
102	E	92.8	Very high	92.8	Very high	42 Å²	42	63.5 Å²	63.5	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-41.9	173.8	-68.6	176.9	151	0	0	112.9	I98 R99 F100 V104 K105 F106 L134	I98-E102 PolarHBondContact O-N 3.47Å; R99-E102 VanDerWaalsContact CD-OE2 3.28Å; R99-E102 WeakPolarHBondContact CD-OE2 3.01Å; R99-E102 IonicContact CZ-OE1 2.63Å; R99-E102 IonicContact CZ-OE2 3.78Å; R99-E102 IonicContact NE-OE1 3.75Å; R99-E102 IonicContact NE-OE2 3.54Å; R99-E102 PolarHBondContact NE-OE2 3.3Å; R99-E102 IonicContact NH1-OE1 2.82Å; R99-E102 PolarHBondContact NH1-OE1 2.99Å; R99-E102 IonicContact NH1-OE2 3.84Å; R99-E102 PolarHBondContact NH1-OE2 3.49Å; R99-E102 IonicContact NH2-OE1 2.66Å; R99-E102 PolarHBondContact NH2-OE1 3.35Å; R99-E102 IonicContact NH2-OE2 2.65Å; R99-E102 PolarHBondContact NH2-OE2 3.2Å; R99-E102 PolarHBondContact O-N 3.13Å; F100-E102 VanDerWaalsContact C-N 3.34Å; F100-E102 PolarHBondContact O-N 3.47Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 3.39Å; E102-K105 PolarHBondContact O-N 2.8Å; E102-F106 WeakPolarHBondContact O-CB 3.37Å; E102-F106 PolarHBondContact O-N 3.21Å; E102-L134 HydrophobicContact CG-CD1 4.08Å; E102-L134 HydrophobicContact CG-CD2 3.63Å
103	S	93	Very high	92.6	Very high	31 Å²	31	58.8 Å²	58.8	22%	0.217	31%	0.309	C	S	.	.	H	α-helix	trans	-60.8	-41.4	176.1	176.4	0	0	0	0	111.5	H70 R99 F100 V101 F106 K107	H70-S103 PolarHBondContact ND1-OG 3.45Å; R99-S103 WeakPolarHBondContact O-CB 3.22Å; R99-S103 PolarHBondContact O-N 3.19Å; F100-S103 WeakPolarHBondContact O-CB 3.45Å; F100-S103 PolarHBondContact O-N 3.18Å; V101-S103 PolarHBondContact O-N 3.09Å; S103-F106 PolarHBondContact O-N 3.14Å; S103-K107 WeakPolarHBondContact O-CG 3.4Å; S103-K107 PolarHBondContact O-N 3.13Å
104	V	94.8	Very high	92.5	Very high	3 Å²	3	57 Å²	57	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-65.3	-44.9	174	175.6	0	0	0	0	110.9	P76 V81 F100 V101 E102 F106 K107 C108 W115 M118	P76-V104 HydrophobicContact CG-CG1 4.23Å; P76-V104 HydrophobicContact CG-CG2 4.07Å; V81-V104 HydrophobicContact CG1-CG2 4.28Å; V81-V104 HydrophobicContact CG2-CG1 4.28Å; V81-V104 HydrophobicContact CG2-CG2 3.98Å; F100-V104 HydrophobicContact CE2-CG2 4.31Å; F100-V104 HydrophobicContact CZ-CG2 4.29Å; F100-V104 WeakPolarHBondContact O-CG2 3.2Å; F100-V104 PolarHBondContact O-N 3.3Å; V101-V104 PolarHBondContact O-N 3.47Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 3.39Å; V104-F106 VanDerWaalsContact C-N 3.31Å; V104-F106 PolarHBondContact O-N 3.44Å; V104-K107 PolarHBondContact O-N 3.32Å; V104-K107 VanDerWaalsContact O-N 3.17Å; V104-C108 PolarHBondContact O-N 3.35Å; V104-C108 PolarHBondContact O-SG 3.21Å; V104-C108 VanDerWaalsContact O-SG 3.32Å; V104-W115 HydrophobicContact CG1-CZ3 4.31Å; V104-M118 HydrophobicContact CG1-CE 4.48Å; V104-M118 HydrophobicContact CG1-CG 3.77Å; V104-M118 HydrophobicContact CG1-SD 4.35Å
105	K	93.2	Very high	92.5	Very high	35 Å²	35	53.7 Å²	53.7	15%	0.152	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-44.3	175.2	-177.7	179.3	179.6	-169.1	0	111.8	V101 E102 K107 C108 K109 W115 L134 D140	V101-K105 PolarHBondContact O-N 3.04Å; E102-K105 PolarHBondContact O-N 2.8Å; K105-K107 VanDerWaalsContact C-N 3.35Å; K105-K107 PolarHBondContact O-N 3.32Å; K105-C108 PolarHBondContact O-N 3.48Å; K105-K109 PolarHBondContact O-N 3.32Å; K105-W115 HydrophobicContact CB-CD2 3.97Å; K105-W115 HydrophobicContact CB-CE3 3.77Å; K105-W115 HydrophobicContact CB-CH2 3.91Å; K105-W115 HydrophobicContact CB-CZ2 4.07Å; K105-W115 HydrophobicContact CB-CZ3 3.75Å; K105-W115 HydrophobicContact CD-CD2 4.34Å; K105-W115 HydrophobicContact CD-CZ2 4.08Å; K105-W115 HydrophobicContact CG-CD2 3.72Å; K105-W115 HydrophobicContact CG-CE3 4.06Å; K105-W115 HydrophobicContact CG-CG 4.1Å; K105-W115 HydrophobicContact CG-CH2 4.46Å; K105-W115 HydrophobicContact CG-CZ2 4.14Å; K105-W115 HydrophobicContact CG-CZ3 4.42Å; K105-L134 HydrophobicContact CB-CD1 4.33Å; K105-L134 HydrophobicContact CD-CD1 3.89Å; K105-D140 PolarHBondContact NZ-O 3.21Å; K105-D140 IonicContact NZ-OD1 3.77Å; K105-D140 PolarHBondContact NZ-OD1 3.09Å; K105-D140 IonicContact NZ-OD2 2.75Å; K105-D140 PolarHBondContact NZ-OD2 2.73Å
106	F	90.5	Very high	92.5	Very high	119 Å²	119	56.1 Å²	56.1	52%	0.522	29%	0.285	S	S	.	.	H	α-helix	trans	-60	-44.6	176.7	-179.9	-96.9	0	0	0	111.5	H70 E102 S103 V104 C108 K109	H70-F106 AromaticContact CE1-CD1 3.96Å; E102-F106 WeakPolarHBondContact O-CB 3.37Å; E102-F106 PolarHBondContact O-N 3.21Å; S103-F106 PolarHBondContact O-N 3.14Å; V104-F106 VanDerWaalsContact C-N 3.31Å; V104-F106 PolarHBondContact O-N 3.44Å; F106-C108 VanDerWaalsContact C-N 3.32Å; F106-C108 PolarHBondContact O-N 3.03Å; F106-K109 HydrophobicContact CD2-CD 4.22Å; F106-K109 WeakPolarHBondContact O-CB 3.49Å; F106-K109 WeakPolarHBondContact O-CG 3.34Å; F106-K109 PolarHBondContact O-N 2.86Å
107	K	91.5	Very high	92.6	Very high	40 Å²	40	60.3 Å²	60.3	17%	0.174	30%	0.299	C	S	.	.	H	α-helix	trans	-63.3	-35.9	175.8	-74.4	-77.9	173.7	166.7	0	112.9	H70 E72 S103 V104 K105 K109	H70-K107 WeakPolarHBondContact O-CE 3.25Å; H70-K107 PolarHBondContact O-NZ 2.97Å; E72-K107 PolarHBondContact O-NZ 2.95Å; S103-K107 WeakPolarHBondContact O-CG 3.4Å; S103-K107 PolarHBondContact O-N 3.13Å; V104-K107 PolarHBondContact O-N 3.32Å; V104-K107 VanDerWaalsContact O-N 3.17Å; K105-K107 VanDerWaalsContact C-N 3.35Å; K105-K107 PolarHBondContact O-N 3.32Å; K107-K109 PolarHBondContact O-N 3.16Å
108	C	93	Very high	92.6	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.02	30%	0.298	C	S	.	.	H	α-helix	trans	-69.4	-12.6	177.3	-68.7	0	0	0	0	114.2	V104 K105 F106 V110 A111 A114 W115	V104-C108 PolarHBondContact O-N 3.35Å; V104-C108 PolarHBondContact O-SG 3.21Å; V104-C108 VanDerWaalsContact O-SG 3.32Å; K105-C108 PolarHBondContact O-N 3.48Å; F106-C108 VanDerWaalsContact C-N 3.32Å; F106-C108 PolarHBondContact O-N 3.03Å; C108-V110 PolarHBondContact O-N 3.29Å; C108-A111 PolarHBondContact O-N 3.18Å; C108-A114 HydrophobicContact CB-CB 4.1Å; C108-W115 HydrophobicContact CB-CB 3.84Å; C108-W115 HydrophobicContact CB-CE3 4.47Å
109	K	86.6	Confident	92.6	Very high	135 Å²	135	62.1 Å²	62.1	59%	0.587	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.9	178.2	-71.5	-175.4	170.2	-167.6	0	113.4	K105 F106 K107 A111	K105-K109 PolarHBondContact O-N 3.32Å; F106-K109 HydrophobicContact CD2-CD 4.22Å; F106-K109 WeakPolarHBondContact O-CB 3.49Å; F106-K109 WeakPolarHBondContact O-CG 3.34Å; F106-K109 PolarHBondContact O-N 2.86Å; K107-K109 PolarHBondContact O-N 3.16Å; K109-A111 VanDerWaalsContact C-N 3.27Å; K109-A111 PolarHBondContact O-N 3.38Å
110	V	84.5	Confident	92.7	Very high	133 Å²	133	62.9 Å²	62.9	81%	0.806	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-35	-177.6	-178.6	0	0	0	0	111.9	C108	C108-V110 PolarHBondContact O-N 3.29Å
111	A	86.3	Confident	92.8	Very high	46 Å²	46	67 Å²	67	38%	0.38	33%	0.333	S	S	.	.	S	Bend	trans	-116.1	113.4	-177.2	0	0	0	0	0	110.6	C108 K109 G113 A114	C108-A111 PolarHBondContact O-N 3.18Å; K109-A111 VanDerWaalsContact C-N 3.27Å; K109-A111 PolarHBondContact O-N 3.38Å; A111-G113 PolarHBondContact O-N 2.93Å; A111-A114 HydrophobicContact CB-CB 3.83Å; A111-A114 WeakPolarHBondContact O-CB 3.28Å; A111-A114 PolarHBondContact O-N 3.22Å
112	K	89.5	Confident	92.9	Very high	218 Å²	218	66.8 Å²	66.8	95%	0.948	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	128.5	176.7	-62.8	-177.1	-179.4	-178.6	0	110.3	A114	K112-A114 VanDerWaalsContact C-N 3.33Å
113	G	92.1	Very high	93	Very high	43 Å²	43	68.2 Å²	68.2	44%	0.443	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.2	-11.8	-178.7	0	0	0	0	0	115	A111 W115 E116 W117	A111-G113 PolarHBondContact O-N 2.93Å; G113-W115 VanDerWaalsContact C-N 3.34Å; G113-W115 PolarHBondContact O-N 3.04Å; G113-E116 WeakPolarHBondContact CA-OE2 3.28Å; G113-E116 PolarHBondContact O-N 3.32Å; G113-W117 PolarHBondContact O-N 2.87Å
114	A	93.9	Very high	93.2	Very high	16 Å²	16	70.8 Å²	70.8	13%	0.132	35%	0.354	C	S	.	.	H	α-helix	trans	-69.1	-33.1	-176.5	0	0	0	0	0	112.5	C108 A111 K112 M118	C108-A114 HydrophobicContact CB-CB 4.1Å; A111-A114 HydrophobicContact CB-CB 3.83Å; A111-A114 WeakPolarHBondContact O-CB 3.28Å; A111-A114 PolarHBondContact O-N 3.22Å; K112-A114 VanDerWaalsContact C-N 3.33Å; A114-M118 VanDerWaalsContact O-CB 3.24Å; A114-M118 WeakPolarHBondContact O-CB 3.42Å; A114-M118 PolarHBondContact O-N 2.99Å
115	W	94.8	Very high	93.2	Very high	28 Å²	28	71.2 Å²	71.2	11%	0.106	36%	0.357	C	S	.	.	H	α-helix	trans	-69.8	-41	177.3	177.4	-121.2	0	0	0	111.7	V101 V104 K105 C108 G113 W117 M118 K119 I122 L134	V101-W115 HydrophobicContact CG1-CH2 3.68Å; V101-W115 HydrophobicContact CG1-CZ3 4.49Å; V104-W115 HydrophobicContact CG1-CZ3 4.31Å; K105-W115 HydrophobicContact CB-CD2 3.97Å; K105-W115 HydrophobicContact CB-CE3 3.77Å; K105-W115 HydrophobicContact CB-CH2 3.91Å; K105-W115 HydrophobicContact CB-CZ2 4.07Å; K105-W115 HydrophobicContact CB-CZ3 3.75Å; K105-W115 HydrophobicContact CD-CD2 4.34Å; K105-W115 HydrophobicContact CD-CZ2 4.08Å; K105-W115 HydrophobicContact CG-CD2 3.72Å; K105-W115 HydrophobicContact CG-CE3 4.06Å; K105-W115 HydrophobicContact CG-CG 4.1Å; K105-W115 HydrophobicContact CG-CH2 4.46Å; K105-W115 HydrophobicContact CG-CZ2 4.14Å; K105-W115 HydrophobicContact CG-CZ3 4.42Å; C108-W115 HydrophobicContact CB-CB 3.84Å; C108-W115 HydrophobicContact CB-CE3 4.47Å; G113-W115 VanDerWaalsContact C-N 3.34Å; G113-W115 PolarHBondContact O-N 3.04Å; W115-W117 PolarHBondContact O-N 3.33Å; W115-M118 HydrophobicContact CE3-CB 4.3Å; W115-M118 HydrophobicContact CE3-CG 4.42Å; W115-M118 HydrophobicContact CZ3-CG 4.32Å; W115-M118 PolarHBondContact O-N 3.28Å; W115-K119 VanDerWaalsContact O-CB 3.22Å; W115-K119 WeakPolarHBondContact O-CB 3.18Å; W115-K119 PolarHBondContact O-N 2.99Å; W115-I122 HydrophobicContact CH2-CD1 4.33Å; W115-I122 HydrophobicContact CZ3-CD1 4.44Å; W115-L134 HydrophobicContact CH2-CD1 4.39Å; W115-L134 HydrophobicContact CZ2-CD1 4.2Å
116	E	95.5	Very high	93.4	Very high	109 Å²	109	70.3 Å²	70.3	51%	0.509	35%	0.354	S	S	.	.	H	α-helix	trans	-62.6	-43.8	178.5	-66.9	71.1	-161.5	0	0	111.1	G113 Q120	G113-E116 WeakPolarHBondContact CA-OE2 3.28Å; G113-E116 PolarHBondContact O-N 3.32Å; E116-Q120 WeakPolarHBondContact O-CG 3.33Å; E116-Q120 PolarHBondContact O-N 3.44Å
117	W	96.6	Very high	93.7	Very high	112 Å²	112	71.8 Å²	71.8	42%	0.424	36%	0.36	S	S	.	.	H	α-helix	trans	-63.6	-49.9	172.9	166.7	69.4	0	0	0	111.9	P78 G113 W115 K119 Q120 E121	P78-W117 VanDerWaalsContact CD-CH2 3.47Å; P78-W117 HydrophobicContact CG-CH2 3.94Å; P78-W117 HydrophobicContact CG-CZ2 3.87Å; G113-W117 PolarHBondContact O-N 2.87Å; W115-W117 PolarHBondContact O-N 3.33Å; W117-K119 VanDerWaalsContact C-N 3.28Å; W117-K119 PolarHBondContact O-N 2.82Å; W117-Q120 WeakPolarHBondContact O-CB 3.38Å; W117-Q120 PolarHBondContact O-N 3.12Å; W117-Q120 VanDerWaalsContact O-N 3.13Å; W117-E121 HydrophobicContact CZ2-CG 4.34Å; W117-E121 PolarHBondContact O-N 3.18Å; W117-E121 VanDerWaalsContact O-N 3.14Å
118	M	96.3	Very high	93.9	Very high	0 Å²	0	77 Å²	77	0%	0	39%	0.385	C	S	.	.	H	α-helix	trans	-57.5	-43.7	179.3	-176.2	59.8	66.3	0	0	111.3	V75 P76 P78 V81 V104 A114 W115 Q120 E121 I122	V75-M118 HydrophobicContact CG1-CE 4.1Å; P76-M118 WeakPolarHBondContact O-CE 3.31Å; P78-M118 HydrophobicContact CB-SD 4.17Å; V81-M118 HydrophobicContact CB-SD 4.46Å; V81-M118 HydrophobicContact CG2-CE 4.41Å; V81-M118 HydrophobicContact CG2-SD 4.04Å; V104-M118 HydrophobicContact CG1-CE 4.48Å; V104-M118 HydrophobicContact CG1-CG 3.77Å; V104-M118 HydrophobicContact CG1-SD 4.35Å; A114-M118 VanDerWaalsContact O-CB 3.24Å; A114-M118 WeakPolarHBondContact O-CB 3.42Å; A114-M118 PolarHBondContact O-N 2.99Å; W115-M118 HydrophobicContact CE3-CB 4.3Å; W115-M118 HydrophobicContact CE3-CG 4.42Å; W115-M118 HydrophobicContact CZ3-CG 4.32Å; W115-M118 PolarHBondContact O-N 3.28Å; M118-Q120 VanDerWaalsContact C-N 3.34Å; M118-Q120 PolarHBondContact O-N 3.29Å; M118-E121 PolarHBondContact O-N 2.95Å; M118-I122 HydrophobicContact CG-CD1 4.42Å; M118-I122 HydrophobicContact CG-CG2 4.34Å; M118-I122 VanDerWaalsContact O-CG1 3.29Å; M118-I122 WeakPolarHBondContact O-CG1 3.33Å; M118-I122 WeakPolarHBondContact O-CG2 3.32Å; M118-I122 PolarHBondContact O-N 3.32Å; M118-I122 HydrophobicContact SD-CG2 3.83Å
119	K	94.9	Very high	94	Very high	65 Å²	65	77.9 Å²	77.9	28%	0.283	39%	0.389	S	S	.	.	H	α-helix	trans	-57.5	-45.6	177.2	-174.8	173.7	-179	171.8	0	111.3	W115 W117 E121 I122 E123 E135	W115-K119 VanDerWaalsContact O-CB 3.22Å; W115-K119 WeakPolarHBondContact O-CB 3.18Å; W115-K119 PolarHBondContact O-N 2.99Å; W117-K119 VanDerWaalsContact C-N 3.28Å; W117-K119 PolarHBondContact O-N 2.82Å; K119-E121 VanDerWaalsContact C-N 3.34Å; K119-E121 PolarHBondContact O-N 2.55Å; K119-I122 PolarHBondContact O-N 2.79Å; K119-E123 WeakPolarHBondContact O-CB 3.37Å; K119-E123 PolarHBondContact O-N 3.34Å; K119-E135 IonicContact NZ-OE1 2.97Å; K119-E135 PolarHBondContact NZ-OE1 3.48Å; K119-E135 IonicContact NZ-OE2 2.97Å; K119-E135 PolarHBondContact NZ-OE2 2.87Å
120	Q	96.5	Very high	94.4	Very high	131 Å²	131	74.1 Å²	74.1	61%	0.612	39%	0.389	S	S	*	.	H	α-helix	trans	-60.9	-41.1	177.5	-71.2	170.3	7.4	0	0	112.5	E116 W117 M118 P124	E116-Q120 WeakPolarHBondContact O-CG 3.33Å; E116-Q120 PolarHBondContact O-N 3.44Å; W117-Q120 WeakPolarHBondContact O-CB 3.38Å; W117-Q120 PolarHBondContact O-N 3.12Å; W117-Q120 VanDerWaalsContact O-N 3.13Å; M118-Q120 VanDerWaalsContact C-N 3.34Å; M118-Q120 PolarHBondContact O-N 3.29Å; Q120-P124 WeakPolarHBondContact O-CD 3.24Å
121	E	97.1	Very high	95	Very high	92 Å²	92	69 Å²	69	43%	0.43	36%	0.357	S	S	.	.	H	α-helix	trans	-72.4	-37.9	-179.5	-66.4	-63.4	152	0	0	112.9	P78 W117 M118 K119	P78-E121 HydrophobicContact CB-CB 3.76Å; P78-E121 HydrophobicContact CB-CG 4.23Å; P78-E121 HydrophobicContact CG-CB 4.47Å; P78-E121 HydrophobicContact CG-CG 4.43Å; W117-E121 HydrophobicContact CZ2-CG 4.34Å; W117-E121 PolarHBondContact O-N 3.18Å; W117-E121 VanDerWaalsContact O-N 3.14Å; M118-E121 PolarHBondContact O-N 2.95Å; K119-E121 VanDerWaalsContact C-N 3.34Å; K119-E121 PolarHBondContact O-N 2.55Å
122	I	96.7	Very high	95.3	Very high	1 Å²	1	68.6 Å²	68.6	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-86.3	-22.9	-177.2	70.3	-177	0	0	0	113.4	V81 W115 M118 K119 T125 M126	V81-I122 HydrophobicContact CB-CG2 4.2Å; V81-I122 HydrophobicContact CG1-CG2 3.82Å; W115-I122 HydrophobicContact CH2-CD1 4.33Å; W115-I122 HydrophobicContact CZ3-CD1 4.44Å; M118-I122 HydrophobicContact CG-CD1 4.42Å; M118-I122 HydrophobicContact CG-CG2 4.34Å; M118-I122 VanDerWaalsContact O-CG1 3.29Å; M118-I122 WeakPolarHBondContact O-CG1 3.33Å; M118-I122 WeakPolarHBondContact O-CG2 3.32Å; M118-I122 PolarHBondContact O-N 3.32Å; M118-I122 HydrophobicContact SD-CG2 3.83Å; K119-I122 PolarHBondContact O-N 2.79Å; I122-T125 WeakPolarHBondContact O-CA 3.42Å; I122-T125 WeakPolarHBondContact O-CB 3.32Å; I122-T125 PolarHBondContact O-N 3.03Å; I122-M126 HydrophobicContact CD1-SD 3.92Å; I122-M126 HydrophobicContact CG1-CG 4.44Å; I122-M126 HydrophobicContact CG1-SD 3.91Å; I122-M126 PolarHBondContact O-N 2.77Å
123	E	95.2	Very high	95.5	Very high	72 Å²	72	59.9 Å²	59.9	34%	0.336	32%	0.315	S	S	.	.	H	α-helix	trans	-54.8	-43.2	-174.8	179.1	179.4	175.6	0	0	113.8	K119 T125 M126 K127	K119-E123 WeakPolarHBondContact O-CB 3.37Å; K119-E123 PolarHBondContact O-N 3.34Å; E123-T125 VanDerWaalsContact C-N 3.26Å; E123-T125 PolarHBondContact O-N 2.72Å; E123-M126 PolarHBondContact O-N 2.7Å; E123-K127 HydrophobicContact CG-CD 4.12Å; E123-K127 WeakPolarHBondContact O-CB 3.49Å; E123-K127 WeakPolarHBondContact O-CG 3.19Å; E123-K127 PolarHBondContact O-N 2.7Å; E123-K127 VanDerWaalsContact OE1-CE 3.25Å; E123-K127 WeakPolarHBondContact OE1-CE 3.38Å; E123-K127 IonicContact OE1-NZ 3.87Å; E123-K127 PolarHBondContact OE1-NZ 2.89Å
124	P	97	Very high	95.5	Very high	85 Å²	85	58.1 Å²	58.1	55%	0.552	30%	0.296	S	S	*	.	H	α-helix	trans	-58.9	-38.4	174.7	-24	34.4	0	0	0	112.6	Q120 Q128	Q120-P124 WeakPolarHBondContact O-CD 3.24Å; P124-Q128 WeakPolarHBondContact O-CB 3.46Å; P124-Q128 PolarHBondContact O-N 2.75Å
125	T	96.5	Very high	95.4	Very high	13 Å²	13	61 Å²	61	8%	0.08	31%	0.306	C	S	.	.	H	α-helix	trans	-71.6	-42.3	178	-60.5	0	0	0	0	110.9	I82 L85 I122 E123 K127 Q128 L129	I82-T125 HydrophobicContact CG1-CG2 4.44Å; I82-T125 HydrophobicContact CG2-CG2 4.03Å; L85-T125 HydrophobicContact CB-CG2 4.46Å; L85-T125 HydrophobicContact CD1-CG2 4.43Å; I122-T125 WeakPolarHBondContact O-CA 3.42Å; I122-T125 WeakPolarHBondContact O-CB 3.32Å; I122-T125 PolarHBondContact O-N 3.03Å; E123-T125 VanDerWaalsContact C-N 3.26Å; E123-T125 PolarHBondContact O-N 2.72Å; T125-K127 VanDerWaalsContact C-N 3.33Å; T125-K127 PolarHBondContact O-N 2.99Å; T125-Q128 PolarHBondContact O-N 3.35Å; T125-L129 HydrophobicContact CG2-CD1 3.87Å; T125-L129 HydrophobicContact CG2-CG 4.27Å; T125-L129 WeakPolarHBondContact O-CB 3.4Å; T125-L129 VanDerWaalsContact O-CG 3.27Å; T125-L129 WeakPolarHBondContact O-CG 3.44Å; T125-L129 PolarHBondContact O-N 3.13Å
126	M	96.3	Very high	95.3	Very high	16 Å²	16	66.4 Å²	66.4	8%	0.079	33%	0.333	C	S	.	.	H	α-helix	trans	-59.4	-45.2	175.7	-69.7	-178.3	65.9	0	0	111.5	L85 I122 E123 L129 G130 L131 P132	L85-M126 HydrophobicContact CD1-CG 4.21Å; I122-M126 HydrophobicContact CD1-SD 3.92Å; I122-M126 HydrophobicContact CG1-CG 4.44Å; I122-M126 HydrophobicContact CG1-SD 3.91Å; I122-M126 PolarHBondContact O-N 2.77Å; E123-M126 PolarHBondContact O-N 2.7Å; M126-L129 PolarHBondContact O-N 3.36Å; M126-G130 PolarHBondContact O-N 2.96Å; M126-L131 HydrophobicContact CB-CB 4.26Å; M126-L131 HydrophobicContact CE-CB 4.29Å; M126-L131 HydrophobicContact CG-CD1 4.49Å; M126-L131 PolarHBondContact O-N 3.15Å; M126-P132 VanDerWaalsContact CE-O 3.32Å; M126-P132 WeakPolarHBondContact CE-O 3.33Å
127	K	96	Very high	95	Very high	149 Å²	149	64.1 Å²	64.1	65%	0.648	32%	0.324	S	S	*	.	H	α-helix	trans	-60.9	-44.6	175.1	-75.8	173.9	170.3	167	0	112.1	E123 T125 L129 G130	E123-K127 HydrophobicContact CG-CD 4.12Å; E123-K127 WeakPolarHBondContact O-CB 3.49Å; E123-K127 WeakPolarHBondContact O-CG 3.19Å; E123-K127 PolarHBondContact O-N 2.7Å; E123-K127 VanDerWaalsContact OE1-CE 3.25Å; E123-K127 WeakPolarHBondContact OE1-CE 3.38Å; E123-K127 IonicContact OE1-NZ 3.87Å; E123-K127 PolarHBondContact OE1-NZ 2.89Å; T125-K127 VanDerWaalsContact C-N 3.33Å; T125-K127 PolarHBondContact O-N 2.99Å; K127-L129 VanDerWaalsContact C-N 3.31Å; K127-L129 PolarHBondContact O-N 3.36Å; K127-G130 PolarHBondContact O-N 3.4Å
128	Q	96.4	Very high	94.7	Very high	151 Å²	151	61.4 Å²	61.4	71%	0.706	33%	0.331	S	S	*	.	H	α-helix	trans	-61.5	-38.7	176.5	-177.5	-176.5	-9.9	0	0	112.4	P124 T125	P124-Q128 WeakPolarHBondContact O-CB 3.46Å; P124-Q128 PolarHBondContact O-N 2.75Å; T125-Q128 PolarHBondContact O-N 3.35Å
129	L	96	Very high	94.1	Very high	20 Å²	20	67.3 Å²	67.3	11%	0.105	35%	0.354	C	S	.	.	H	α-helix	trans	-82.1	-15.5	-177.8	-64.9	-179.9	0	0	0	113.6	L85 K89 T125 M126 K127 L131	L85-L129 HydrophobicContact CB-CD1 3.79Å; K89-L129 HydrophobicContact CB-CD2 3.81Å; K89-L129 HydrophobicContact CD-CD2 4.23Å; K89-L129 HydrophobicContact CG-CD2 3.79Å; K89-L129 PolarHBondContact NZ-O 3.01Å; T125-L129 HydrophobicContact CG2-CD1 3.87Å; T125-L129 HydrophobicContact CG2-CG 4.27Å; T125-L129 WeakPolarHBondContact O-CB 3.4Å; T125-L129 VanDerWaalsContact O-CG 3.27Å; T125-L129 WeakPolarHBondContact O-CG 3.44Å; T125-L129 PolarHBondContact O-N 3.13Å; M126-L129 PolarHBondContact O-N 3.36Å; K127-L129 VanDerWaalsContact C-N 3.31Å; K127-L129 PolarHBondContact O-N 3.36Å; L129-L131 HydrophobicContact CB-CD1 4.26Å; L129-L131 HydrophobicContact CB-CG 4.05Å; L129-L131 HydrophobicContact CD1-CD1 4.2Å
130	G	95.4	Very high	93.6	Very high	56 Å²	56	67 Å²	67	58%	0.577	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	32.6	-174.7	0	0	0	0	0	112.9	M126 K127	M126-G130 PolarHBondContact O-N 2.96Å; K127-G130 PolarHBondContact O-N 3.4Å
131	L	95.4	Very high	92.8	Very high	26 Å²	26	65.7 Å²	65.7	14%	0.136	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-85.1	130.7	178	-66.5	174.6	0	0	0	110.2	L85 I94 A97 M126 L129	L85-L131 HydrophobicContact CD2-CD1 3.87Å; I94-L131 HydrophobicContact CD1-CD2 4.29Å; I94-L131 HydrophobicContact CG1-CD2 3.82Å; A97-L131 HydrophobicContact CB-CD1 4.03Å; A97-L131 HydrophobicContact CB-CD2 3.85Å; M126-L131 HydrophobicContact CB-CB 4.26Å; M126-L131 HydrophobicContact CE-CB 4.29Å; M126-L131 HydrophobicContact CG-CD1 4.49Å; M126-L131 PolarHBondContact O-N 3.15Å; L129-L131 HydrophobicContact CB-CD1 4.26Å; L129-L131 HydrophobicContact CB-CG 4.05Å; L129-L131 HydrophobicContact CD1-CD1 4.2Å
132	P	94	Very high	91.8	Very high	37 Å²	37	65 Å²	65	24%	0.24	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-67.5	154.6	171.9	31.3	-36.2	0	0	0	110.5	I98 M126 E136 L137	I98-P132 HydrophobicContact CD1-CG 4.49Å; M126-P132 VanDerWaalsContact CE-O 3.32Å; M126-P132 WeakPolarHBondContact CE-O 3.33Å; P132-E136 WeakPolarHBondContact CA-OE2 3.47Å; P132-L137 HydrophobicContact CB-CD1 4.47Å; P132-L137 HydrophobicContact CB-CD2 4.18Å; P132-L137 HydrophobicContact CB-CG 4.07Å; P132-L137 HydrophobicContact CG-CD1 3.86Å; P132-L137 HydrophobicContact CG-CD2 3.87Å; P132-L137 HydrophobicContact CG-CG 3.9Å
133	T	92.8	Very high	90.7	Very high	35 Å²	35	74 Å²	74	22%	0.215	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-75.1	158.1	172.6	61.4	0	0	0	0	111	E135 E136 L137	T133-E135 WeakPolarHBondContact CB-OE2 3.44Å; T133-E135 PolarHBondContact O-N 3.09Å; T133-E136 PolarHBondContact N-OE2 3.06Å; T133-E136 PolarHBondContact O-N 2.95Å; T133-E136 WeakPolarHBondContact OG1-CB 3.25Å; T133-E136 WeakPolarHBondContact OG1-CG 3.19Å; T133-E136 PolarHBondContact OG1-N 3.14Å; T133-E136 PolarHBondContact OG1-OE2 3.37Å; T133-L137 WeakPolarHBondContact O-CG 3.12Å; T133-L137 PolarHBondContact O-N 3.49Å
134	L	91.4	Very high	89.9	Confident	6 Å²	6	78.5 Å²	78.5	3%	0.031	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.9	177.5	-67.1	-178.1	0	0	0	111.3	I98 V101 E102 K105 W115 L137 G138 Y139	I98-L134 HydrophobicContact CG2-CD2 4.14Å; V101-L134 HydrophobicContact CG1-CD1 3.89Å; V101-L134 HydrophobicContact CG1-CD2 4.34Å; V101-L134 HydrophobicContact CG1-CG 3.97Å; E102-L134 HydrophobicContact CG-CD1 4.08Å; E102-L134 HydrophobicContact CG-CD2 3.63Å; K105-L134 HydrophobicContact CB-CD1 4.33Å; K105-L134 HydrophobicContact CD-CD1 3.89Å; W115-L134 HydrophobicContact CH2-CD1 4.39Å; W115-L134 HydrophobicContact CZ2-CD1 4.2Å; L134-L137 PolarHBondContact O-N 2.86Å; L134-G138 PolarHBondContact O-N 3.42Å; L134-G138 VanDerWaalsContact O-N 3.14Å; L134-Y139 PolarHBondContact O-N 3Å
135	E	91.9	Very high	88.8	Confident	76 Å²	76	77.1 Å²	77.1	36%	0.355	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-41.1	177	-60.1	87	163.7	0	0	112	K119 T133 L137 G138 D140	K119-E135 IonicContact NZ-OE1 2.97Å; K119-E135 PolarHBondContact NZ-OE1 3.48Å; K119-E135 IonicContact NZ-OE2 2.97Å; K119-E135 PolarHBondContact NZ-OE2 2.87Å; T133-E135 WeakPolarHBondContact CB-OE2 3.44Å; T133-E135 PolarHBondContact O-N 3.09Å; E135-L137 VanDerWaalsContact C-N 3.26Å; E135-L137 PolarHBondContact O-N 3.19Å; E135-G138 PolarHBondContact O-N 3Å; E135-G138 VanDerWaalsContact O-N 3.12Å; E135-D140 HydrophobicContact CG-CB 4.4Å
136	E	92.7	Very high	88	Confident	143 Å²	143	83 Å²	83	67%	0.668	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-34.1	173.6	-78.6	164.5	-178.9	0	0	112.6	P132 T133 G138	P132-E136 WeakPolarHBondContact CA-OE2 3.47Å; T133-E136 PolarHBondContact N-OE2 3.06Å; T133-E136 PolarHBondContact O-N 2.95Å; T133-E136 WeakPolarHBondContact OG1-CB 3.25Å; T133-E136 WeakPolarHBondContact OG1-CG 3.19Å; T133-E136 PolarHBondContact OG1-N 3.14Å; T133-E136 PolarHBondContact OG1-OE2 3.37Å; E136-G138 VanDerWaalsContact C-N 3.31Å
137	L	90.9	Very high	87.1	Confident	61 Å²	61	87.4 Å²	87.4	32%	0.319	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-13.4	176.5	-68.1	175.4	0	0	0	113.5	I98 P132 T133 L134 E135 Y139	I98-L137 HydrophobicContact CD1-CD1 3.73Å; I98-L137 HydrophobicContact CG1-CD1 3.99Å; I98-L137 HydrophobicContact CG2-CD1 3.76Å; P132-L137 HydrophobicContact CB-CD1 4.47Å; P132-L137 HydrophobicContact CB-CD2 4.18Å; P132-L137 HydrophobicContact CB-CG 4.07Å; P132-L137 HydrophobicContact CG-CD1 3.86Å; P132-L137 HydrophobicContact CG-CD2 3.87Å; P132-L137 HydrophobicContact CG-CG 3.9Å; T133-L137 WeakPolarHBondContact O-CG 3.12Å; T133-L137 PolarHBondContact O-N 3.49Å; L134-L137 PolarHBondContact O-N 2.86Å; E135-L137 VanDerWaalsContact C-N 3.26Å; E135-L137 PolarHBondContact O-N 3.19Å; L137-Y139 HydrophobicContact CB-CD2 3.56Å; L137-Y139 HydrophobicContact CB-CE2 4.11Å; L137-Y139 HydrophobicContact CB-CG 4.21Å; L137-Y139 HydrophobicContact CD1-CD2 3.9Å; L137-Y139 HydrophobicContact CD1-CE2 4.36Å; L137-Y139 HydrophobicContact CG-CD2 4.32Å; L137-Y139 PolarHBondContact O-N 3.45Å
138	G	89.4	Confident	86	Confident	55 Å²	55	84.6 Å²	84.6	57%	0.567	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	15.5	-170.7	0	0	0	0	0	113.9	L134 E135 E136 D140	L134-G138 PolarHBondContact O-N 3.42Å; L134-G138 VanDerWaalsContact O-N 3.14Å; E135-G138 PolarHBondContact O-N 3Å; E135-G138 VanDerWaalsContact O-N 3.12Å; E136-G138 VanDerWaalsContact C-N 3.31Å; G138-D140 VanDerWaalsContact C-N 3.32Å
139	Y	83.8	Confident	85.1	Confident	123 Å²	123	86.6 Å²	86.6	48%	0.482	48%	0.476	S	S	.	.			trans	-94.7	18.7	177.1	-65.9	-44.1	0	0	0	113.2	L134 L137 T141	L134-Y139 PolarHBondContact O-N 3Å; L137-Y139 HydrophobicContact CB-CD2 3.56Å; L137-Y139 HydrophobicContact CB-CE2 4.11Å; L137-Y139 HydrophobicContact CB-CG 4.21Å; L137-Y139 HydrophobicContact CD1-CD2 3.9Å; L137-Y139 HydrophobicContact CD1-CE2 4.36Å; L137-Y139 HydrophobicContact CG-CD2 4.32Å; L137-Y139 PolarHBondContact O-N 3.45Å; Y139-T141 VanDerWaalsContact C-N 3.31Å; Y139-T141 PolarHBondContact O-N 2.92Å
140	D	84.1	Confident	84.1	Confident	58 Å²	58	93.1 Å²	93.1	31%	0.31	51%	0.511	S	S	.	.	S	Bend	trans	-62.8	-40.2	178.5	-167.9	71.2	0	0	0	112	K105 E135 G138	K105-D140 PolarHBondContact NZ-O 3.21Å; K105-D140 IonicContact NZ-OD1 3.77Å; K105-D140 PolarHBondContact NZ-OD1 3.09Å; K105-D140 IonicContact NZ-OD2 2.75Å; K105-D140 PolarHBondContact NZ-OD2 2.73Å; E135-D140 HydrophobicContact CG-CB 4.4Å; G138-D140 VanDerWaalsContact C-N 3.32Å
141	T	80.7	Confident	82.5	Confident	105 Å²	105	99.2 Å²	99.2	64%	0.644	53%	0.531	S	S	*	.	S	Bend	trans	-113.9	121.3	177.3	-58.2	0	0	0	0	109.6	Y139 E143	Y139-T141 VanDerWaalsContact C-N 3.31Å; Y139-T141 PolarHBondContact O-N 2.92Å; T141-E143 PolarHBondContact O-N 3.18Å
142	P	74.2	Confident	81.9	Confident	78 Å²	78	102.9 Å²	102.9	51%	0.506	55%	0.55	S	S	.	*			trans	-69.7	123.5	176.2	27.5	-33.2	0	0	0	110.8	L144 A145	P142-L144 VanDerWaalsContact C-N 3.34Å; P142-L144 PolarHBondContact O-N 2.7Å; P142-A145 HydrophobicContact CB-CB 3.87Å; P142-A145 HydrophobicContact CG-CB 3.56Å
143	E	74	Confident	81.2	Confident	188 Å²	188	106.4 Å²	106.4	88%	0.879	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	-32.7	-178.9	-63.3	-179.5	178	0	0	113.4	T141	T141-E143 PolarHBondContact O-N 3.18Å
144	L	78.1	Confident	80.6	Confident	167 Å²	167	110.3 Å²	110.3	87%	0.874	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.9	25.1	-173.3	-61.1	177.5	0	0	0	113	P142 V146	P142-L144 VanDerWaalsContact C-N 3.34Å; P142-L144 PolarHBondContact O-N 2.7Å; L144-V146 PolarHBondContact O-N 3.42Å
145	A	75.4	Confident	80	Confident	57 Å²	57	116.5 Å²	116.5	47%	0.471	62%	0.619	S	S	.	*	P	Polyproline II helix	trans	-63.3	138.4	172.8	0	0	0	0	0	110	P142 I147	P142-A145 HydrophobicContact CB-CB 3.87Å; P142-A145 HydrophobicContact CG-CB 3.56Å; A145-I147 PolarHBondContact O-N 2.96Å; A145-I147 VanDerWaalsContact O-N 3.16Å
146	V	80.1	Confident	79.2	Confident	136 Å²	136	119 Å²	119	82%	0.824	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-58.6	122.8	167	178.9	0	0	0	0	106.5	L144 D148	L144-V146 PolarHBondContact O-N 3.42Å; V146-D148 PolarHBondContact O-N 3.35Å
147	I	76.6	Confident	78.3	Confident	109 Å²	109	117.4 Å²	117.4	56%	0.559	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-56.9	122.8	172.4	49.6	173.7	0	0	0	108	A145 Y149	A145-I147 PolarHBondContact O-N 2.96Å; A145-I147 VanDerWaalsContact O-N 3.16Å; I147-Y149 HydrophobicContact CD1-CD1 4.39Å; I147-Y149 HydrophobicContact CD1-CD2 4.49Å; I147-Y149 HydrophobicContact CD1-CE1 3.69Å; I147-Y149 HydrophobicContact CD1-CE2 3.81Å; I147-Y149 WeakPolarHBondContact CD1-OH 3.48Å; I147-Y149 HydrophobicContact CG1-CD2 4.25Å; I147-Y149 HydrophobicContact CG1-CE1 4.46Å; I147-Y149 HydrophobicContact CG1-CE2 3.75Å; I147-Y149 PolarHBondContact O-N 3.33Å
148	D	72.6	Confident	77.4	Confident	90 Å²	90	121.4 Å²	121.4	48%	0.481	66%	0.656	S	S	.	*	P	Polyproline II helix	trans	-72.7	119.4	165.2	-160.3	-18.4	0	0	0	106.2	V146 D150 D151	V146-D148 PolarHBondContact O-N 3.35Å; D148-D150 WeakPolarHBondContact OD1-CB 3.46Å; D148-D150 PolarHBondContact OD1-N 3.34Å; D148-D151 HydrophobicContact CB-CB 4.01Å
149	Y	76.9	Confident	76.5	Confident	193 Å²	193	126.5 Å²	126.5	76%	0.757	66%	0.662	S	S	*	*	S	Bend	trans	-79.3	-11.3	177.5	-73.9	-89.3	0	0	0	111.4	I147	I147-Y149 HydrophobicContact CD1-CD1 4.39Å; I147-Y149 HydrophobicContact CD1-CD2 4.49Å; I147-Y149 HydrophobicContact CD1-CE1 3.69Å; I147-Y149 HydrophobicContact CD1-CE2 3.81Å; I147-Y149 WeakPolarHBondContact CD1-OH 3.48Å; I147-Y149 HydrophobicContact CG1-CD2 4.25Å; I147-Y149 HydrophobicContact CG1-CE1 4.46Å; I147-Y149 HydrophobicContact CG1-CE2 3.75Å; I147-Y149 PolarHBondContact O-N 3.33Å
150	D	76.4	Confident	75.9	Confident	157 Å²	157	126.8 Å²	126.8	84%	0.84	68%	0.677	S	S	*	*			trans	-94.2	-10.6	178.6	-63.5	-29.1	0	0	0	113.1	D148	D148-D150 WeakPolarHBondContact OD1-CB 3.46Å; D148-D150 PolarHBondContact OD1-N 3.34Å
151	D	61.8	Low	75.1	Confident	184 Å²	184	133.1 Å²	133.1	98%	0.984	71%	0.711	S	S	*	*			trans	-76.7	0	171.5	-84.6	-22	0	0	0	112.1	D148	D148-D151 HydrophobicContact CB-CB 4.01Å

Retrieved 151 of 151 residues in 135.9 ms (Link to these results)

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