A0A3Q0KBW3_SCHMA Loading...

protein-tyrosine-phosphatase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KBW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 205 aa.

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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	38	Very low	36.1	Very low	241 Å²	241	153.9 Å²	153.9	100%	1.187	83%	0.833	S	S	*	*				0	155	0	-87.2	-167.5	140.8	0	0	109.3
2	S	39.8	Very low	35.7	Very low	108 Å²	108	155.7 Å²	155.7	76%	0.755	84%	0.836	S	S	*	*			trans	64	100.8	171.4	58.5	0	0	0	0	118.3
3	V	33.2	Very low	35.2	Very low	136 Å²	136	152.9 Å²	152.9	82%	0.824	83%	0.831	S	S	*	*			trans	-58.6	136.6	144.3	-167.3	0	0	0	0	108.5
4	T	41.1	Very low	34.8	Very low	125 Å²	125	159.8 Å²	159.8	77%	0.767	84%	0.839	S	S	*	*			trans	-130.1	114.7	160.4	36.7	0	0	0	0	108.5
5	E	35.9	Very low	34.9	Very low	186 Å²	186	160.3 Å²	160.3	87%	0.869	84%	0.842	S	S	*	*			trans	-66.1	131.2	172.8	-63.5	171.2	127.8	0	0	110.2
6	Q	42.5	Very low	35	Very low	181 Å²	181	157.1 Å²	157.1	85%	0.846	84%	0.837	S	S	*	*			trans	-115.8	103.9	163.2	-74.7	-174.1	-4.4	0	0	108.5	T8	Q6-T8 PolarHBondContact O-N 3.24Å
7	S	34.7	Very low	34.7	Very low	111 Å²	111	158 Å²	158	78%	0.776	84%	0.842	S	S	*	*			trans	-70.2	102.5	173.1	172.9	0	0	0	0	109.9	V9	S7-V9 PolarHBondContact O-N 3.19Å
8	T	35.5	Very low	34.9	Very low	119 Å²	119	153.8 Å²	153.8	73%	0.73	83%	0.833	S	S	*	*			trans	-78.5	101.2	173.2	-56.7	0	0	0	0	110	Q6 V10	Q6-T8 PolarHBondContact O-N 3.24Å; T8-V10 PolarHBondContact O-N 3.23Å
9	V	36.9	Very low	35	Very low	125 Å²	125	153 Å²	153	76%	0.758	83%	0.828	S	S	*	*			trans	-70.7	105.3	168.2	176.8	0	0	0	0	108.5	S7 R11	S7-V9 PolarHBondContact O-N 3.19Å; V9-R11 PolarHBondContact O-N 3.5Å
10	V	30.8	Very low	35	Very low	128 Å²	128	150.5 Å²	150.5	78%	0.776	83%	0.829	S	S	*	*			trans	-70.7	108.9	175.7	180	0	0	0	0	109.1	T8 M12	T8-V10 PolarHBondContact O-N 3.23Å; V10-M12 PolarHBondContact O-N 3.18Å
11	R	28.2	Very low	35	Very low	233 Å²	233	153.1 Å²	153.1	88%	0.879	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-77.5	118.1	-179.3	-149.7	175.8	-170.5	169.4	2.5	109.5	V9	V9-R11 PolarHBondContact O-N 3.5Å
12	M	31.9	Very low	34.8	Very low	175 Å²	175	151.1 Å²	151.1	86%	0.862	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-63.8	137.2	177.3	-73.3	-168.1	165.1	0	0	112.2	V10	V10-M12 PolarHBondContact O-N 3.18Å
13	P	28.6	Very low	34.6	Very low	120 Å²	120	149.1 Å²	149.1	78%	0.779	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-74.5	135	176.3	27	-29.8	0	0	0	111.7	L15	P13-L15 PolarHBondContact O-N 2.64Å
14	R	30	Very low	34.7	Very low	249 Å²	249	148.5 Å²	148.5	94%	0.94	81%	0.813	S	S	*	*			trans	-70.5	112	169.9	-75	-173.7	-174.7	-163.2	1.9	108.6	S16	R14-S16 PolarHBondContact O-N 3.38Å
15	L	35.7	Very low	34.3	Very low	167 Å²	167	150.1 Å²	150.1	87%	0.874	81%	0.809	S	S	*	*			trans	-65.4	115.3	167.4	-73.5	160.6	0	0	0	108.4	P13 N17	P13-L15 PolarHBondContact O-N 2.64Å; L15-N17 PolarHBondContact O-N 2.96Å
16	S	36.3	Very low	34.3	Very low	109 Å²	109	149.4 Å²	149.4	76%	0.762	81%	0.806	S	S	*	*			trans	-68.6	123.8	170.9	50	0	0	0	0	109.3	R14 A18	R14-S16 PolarHBondContact O-N 3.38Å; S16-A18 PolarHBondContact O-N 3.04Å; S16-A18 VanDerWaalsContact O-N 3.14Å
17	N	31.3	Very low	34.1	Very low	173 Å²	173	146.1 Å²	146.1	93%	0.925	80%	0.8	S	S	*	*			trans	-57.5	112.3	170.8	-78.6	-17.1	0	0	0	109.8	L15	L15-N17 PolarHBondContact O-N 2.96Å
18	A	38.1	Very low	34.8	Very low	83 Å²	83	146.9 Å²	146.9	69%	0.686	79%	0.787	S	S	*	*			trans	-136.3	130.6	163.9	0	0	0	0	0	109.6	S16	S16-A18 PolarHBondContact O-N 3.04Å; S16-A18 VanDerWaalsContact O-N 3.14Å
19	D	36.1	Very low	35.3	Very low	138 Å²	138	146.6 Å²	146.6	74%	0.738	79%	0.787	S	S	*	*			trans	79.1	76.5	163.8	-59.6	-39.9	0	0	0	119.4	R21	D19-R21 PolarHBondContact O-N 3.24Å
20	A	35.3	Very low	35.7	Very low	103 Å²	103	152.3 Å²	152.3	85%	0.851	80%	0.795	S	S	*	*			trans	-69.4	95.8	154	0	0	0	0	0	111.3
21	R	35	Very low	36.6	Very low	206 Å²	206	148 Å²	148	78%	0.777	78%	0.776	S	S	*	*			trans	-144.3	116.8	159.4	-74.9	-171.5	-110	-165.5	-1.9	111.3	D19	D19-R21 PolarHBondContact O-N 3.24Å
22	H	34.3	Very low	37.9	Very low	198 Å²	198	140.3 Å²	140.3	92%	0.917	76%	0.758	S	S	*	*	S	Bend	trans	59.1	95.8	162.8	-67.7	-73.1	0	0	0	119
23	G	36.1	Very low	39.1	Very low	67 Å²	67	141.1 Å²	141.1	69%	0.691	76%	0.757	S	S	*	*			trans	162.9	117.5	161.7	0	0	0	0	0	108	F25	G23-F25 PolarHBondContact O-N 2.86Å
24	S	34	Very low	40.5	Very low	123 Å²	123	141 Å²	141	86%	0.86	75%	0.749	S	S	*	*			trans	-62.7	80.7	178.1	50	0	0	0	0	110.7	Q26	S24-Q26 VanDerWaalsContact C-N 3.33Å; S24-Q26 PolarHBondContact O-N 3.01Å
25	F	33.1	Very low	41.9	Very low	159 Å²	159	131.1 Å²	131.1	70%	0.697	72%	0.718	S	S	*	*			trans	-76	89.7	168.5	-165.6	-94.8	0	0	0	107.3	G23 P27 Y28	G23-F25 PolarHBondContact O-N 2.86Å; F25-P27 VanDerWaalsContact O-CD 3.31Å; F25-P27 WeakPolarHBondContact O-CD 3.31Å; F25-Y28 HydrophobicContact CE2-CE2 4.47Å; F25-Y28 HydrophobicContact CZ-CD2 4.18Å; F25-Y28 HydrophobicContact CZ-CE2 4.02Å
26	Q	35.7	Very low	42.9	Very low	171 Å²	171	129.2 Å²	129.2	80%	0.799	70%	0.699	S	S	*	*			trans	-60.5	120.8	165	-76.7	-176	-41	0	0	107.5	S24 Y28	S24-Q26 VanDerWaalsContact C-N 3.33Å; S24-Q26 PolarHBondContact O-N 3.01Å; Q26-Y28 PolarHBondContact O-N 3.49Å
27	P	38.8	Very low	44.1	Very low	112 Å²	112	130.7 Å²	130.7	73%	0.727	69%	0.694	S	S	*	*			trans	-65.4	124.5	177.4	-15	28.4	0	0	0	109.1	F25	F25-P27 VanDerWaalsContact O-CD 3.31Å; F25-P27 WeakPolarHBondContact O-CD 3.31Å
28	Y	48.8	Very low	45.5	Very low	127 Å²	127	129.5 Å²	129.5	50%	0.498	69%	0.687	S	S	.	*			trans	-45.6	137.3	176.3	-75.6	-86.1	0	0	0	111.9	F25 Q26 R30 E65	F25-Y28 HydrophobicContact CE2-CE2 4.47Å; F25-Y28 HydrophobicContact CZ-CD2 4.18Å; F25-Y28 HydrophobicContact CZ-CE2 4.02Å; Q26-Y28 PolarHBondContact O-N 3.49Å; Y28-R30 PolarHBondContact O-N 3.28Å; Y28-E65 WeakPolarHBondContact CD1-OE2 3.24Å; Y28-E65 HydrophobicContact CE1-CG 4.11Å; Y28-E65 VanDerWaalsContact CE1-OE1 3.29Å; Y28-E65 WeakPolarHBondContact CE1-OE1 3.26Å; Y28-E65 VanDerWaalsContact CE1-OE2 3.22Å; Y28-E65 WeakPolarHBondContact CE1-OE2 3.45Å
29	P	45.7	Very low	47.2	Very low	113 Å²	113	129 Å²	129	73%	0.734	67%	0.671	S	S	*	*			trans	-59.1	127.5	-176.5	19.9	-28.6	0	0	0	111.1	G31	P29-G31 PolarHBondContact O-N 3.23Å
30	R	46.4	Very low	49.3	Very low	245 Å²	245	126.4 Å²	126.4	93%	0.925	65%	0.654	S	S	*	*			trans	-69.1	79.1	174.6	-89.6	-176.8	-97.3	-178	-7	109.9	Y28	Y28-R30 PolarHBondContact O-N 3.28Å
31	G	49.8	Very low	51.7	Low	36 Å²	36	122 Å²	122	37%	0.371	62%	0.617	S	S	.	*			trans	-60.8	149.3	161.6	0	0	0	0	0	110.6	P29	P29-G31 PolarHBondContact O-N 3.23Å
32	S	55	Low	54.4	Low	73 Å²	73	116.8 Å²	116.8	51%	0.51	60%	0.601	S	S	.	*			trans	-56.2	153.2	174	71.3	0	0	0	0	111.5	L34 S35 R36	S32-L34 PolarHBondContact O-N 2.83Å; S32-L34 VanDerWaalsContact O-N 3.15Å; S32-S35 PolarHBondContact N-OG 2.98Å; S32-S35 VanDerWaalsContact N-OG 3.12Å; S32-S35 PolarHBondContact O-N 3.46Å; S32-S35 VanDerWaalsContact O-N 3.16Å; S32-S35 PolarHBondContact O-OG 2.7Å; S32-S35 PolarHBondContact OG-N 2.93Å; S32-S35 PolarHBondContact OG-OG 3.49Å; S32-S35 VanDerWaalsContact OG-OG 3.08Å; S32-R36 PolarHBondContact O-N 2.81Å; S32-R36 VanDerWaalsContact O-N 3.09Å
33	K	57.6	Low	57.2	Low	191 Å²	191	109.5 Å²	109.5	83%	0.83	57%	0.57	S	S	*	*	H	α-helix	trans	-53.6	-36.3	177.2	-72.1	-175.6	178.1	179.1	0	112.3	Q37	K33-Q37 PolarHBondContact O-N 2.84Å
34	L	58.1	Low	60.2	Low	119 Å²	119	106.6 Å²	106.6	62%	0.623	54%	0.539	S	S	*	.	H	α-helix	trans	-69.3	-44.4	179.7	-174	63.5	0	0	0	112.1	S32 R36 Q37 L38	S32-L34 PolarHBondContact O-N 2.83Å; S32-L34 VanDerWaalsContact O-N 3.15Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 3.4Å; L34-Q37 PolarHBondContact O-N 3.18Å; L34-L38 PolarHBondContact O-N 3.27Å
35	S	59.9	Low	63.2	Low	40 Å²	40	102.5 Å²	102.5	28%	0.28	51%	0.507	S	S	.	.	H	α-helix	trans	-65.3	-34.6	177.3	60.6	0	0	0	0	112	S32 L38 Q39	S32-S35 PolarHBondContact N-OG 2.98Å; S32-S35 VanDerWaalsContact N-OG 3.12Å; S32-S35 PolarHBondContact O-N 3.46Å; S32-S35 VanDerWaalsContact O-N 3.16Å; S32-S35 PolarHBondContact O-OG 2.7Å; S32-S35 PolarHBondContact OG-N 2.93Å; S32-S35 PolarHBondContact OG-OG 3.49Å; S32-S35 VanDerWaalsContact OG-OG 3.08Å; S35-L38 PolarHBondContact O-N 3Å; S35-Q39 WeakPolarHBondContact O-CG 3.48Å; S35-Q39 PolarHBondContact O-N 3.2Å
36	R	56.5	Low	66.3	Low	128 Å²	128	95 Å²	95	48%	0.483	47%	0.474	S	S	.	.	H	α-helix	trans	-64.4	-38.5	174	-77.2	-174	155.4	-157.7	-6.3	113.1	S32 L34 Q39 Q40	S32-R36 PolarHBondContact O-N 2.81Å; S32-R36 VanDerWaalsContact O-N 3.09Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 3.4Å; R36-Q39 PolarHBondContact O-N 3.43Å; R36-Q40 WeakPolarHBondContact O-CG 3.34Å; R36-Q40 PolarHBondContact O-N 3.26Å; R36-Q40 PolarHBondContact O-NE2 3.36Å
37	Q	60.4	Low	69.2	Low	140 Å²	140	91.4 Å²	91.4	65%	0.654	46%	0.457	S	S	*	.	H	α-helix	trans	-63.9	-41.8	177.7	-83.5	-176.4	-19.1	0	0	112.2	K33 L34 Q39 Q40	K33-Q37 PolarHBondContact O-N 2.84Å; L34-Q37 PolarHBondContact O-N 3.18Å; Q37-Q39 PolarHBondContact O-N 2.72Å; Q37-Q40 PolarHBondContact O-N 3.27Å
38	L	60.4	Low	71.9	Confident	147 Å²	147	88.4 Å²	88.4	77%	0.77	43%	0.432	S	S	*	.	H	α-helix	trans	-66.5	-17.9	179.3	-67.5	173.1	0	0	0	113.7	L34 S35	L34-L38 PolarHBondContact O-N 3.27Å; S35-L38 PolarHBondContact O-N 3Å
39	Q	73.9	Confident	74	Confident	74 Å²	74	89.4 Å²	89.4	35%	0.346	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	4.6	179.5	-65.1	176.1	-23	0	0	112.8	S35 R36 Q37 N63 N66	S35-Q39 WeakPolarHBondContact O-CG 3.48Å; S35-Q39 PolarHBondContact O-N 3.2Å; R36-Q39 PolarHBondContact O-N 3.43Å; Q37-Q39 PolarHBondContact O-N 2.72Å; Q39-N63 WeakPolarHBondContact O-CB 3.37Å; Q39-N66 WeakPolarHBondContact CB-ND2 3.46Å; Q39-N66 PolarHBondContact O-ND2 2.82Å
40	Q	81.2	Confident	76.2	Confident	82 Å²	82	85.9 Å²	85.9	38%	0.383	42%	0.415	S	S	.	.			trans	-72.8	132.3	177.5	-65.9	-54.5	-58.3	0	0	110.3	R36 Q37	R36-Q40 WeakPolarHBondContact O-CG 3.34Å; R36-Q40 PolarHBondContact O-N 3.26Å; R36-Q40 PolarHBondContact O-NE2 3.36Å; Q37-Q40 PolarHBondContact O-N 3.27Å
41	P	85.9	Confident	78.5	Confident	11 Å²	11	74.2 Å²	74.2	7%	0.071	37%	0.372	C	S	.	.			trans	-65.4	141.3	175	28.6	-35.1	0	0	0	110.7	V43 F67 V70	P41-V43 HydrophobicContact CB-CG1 3.92Å; P41-V43 HydrophobicContact CG-CG1 3.99Å; P41-V43 PolarHBondContact O-N 3.04Å; P41-V43 VanDerWaalsContact O-N 3.15Å; P41-F67 HydrophobicContact CB-CD1 3.94Å; P41-F67 HydrophobicContact CB-CD2 4.02Å; P41-F67 HydrophobicContact CB-CE1 3.53Å; P41-F67 HydrophobicContact CB-CE2 3.6Å; P41-F67 HydrophobicContact CB-CG 4.19Å; P41-F67 HydrophobicContact CB-CZ 3.36Å; P41-F67 HydrophobicContact CG-CD1 4.36Å; P41-F67 HydrophobicContact CG-CE1 4.41Å; P41-F67 HydrophobicContact CG-CG 4.44Å; P41-V70 HydrophobicContact CG-CB 4.25Å; P41-V70 HydrophobicContact CG-CG1 4.49Å; P41-V70 HydrophobicContact CG-CG2 3.82Å
42	H	90.4	Very high	80.8	Confident	97 Å²	97	75.1 Å²	75.1	45%	0.449	36%	0.364	S	S	.	.			trans	-83.2	94.6	174.2	178.7	-146.4	0	0	0	109.7	D57 R171	H42-D57 PolarHBondContact N-OD1 3.22Å; H42-R171 PolarHBondContact CE1-NH1 3.36Å; H42-R171 VanDerWaalsContact CE1-NH1 3.34Å; H42-R171 PolarHBondContact ND1-NH1 3Å; H42-R171 PolarHBondContact ND1-NH2 2.92Å; H42-R171 PolarHBondContact O-NH1 3.38Å; H42-R171 PolarHBondContact O-NH2 3.08Å
43	V	94.7	Very high	82.9	Confident	44 Å²	44	71.6 Å²	71.6	27%	0.267	34%	0.339	S	S	.	.			trans	-103.5	147.4	-176.4	-55.3	0	0	0	0	113.1	P41 L54 I55 T56 V70	P41-V43 HydrophobicContact CB-CG1 3.92Å; P41-V43 HydrophobicContact CG-CG1 3.99Å; P41-V43 PolarHBondContact O-N 3.04Å; P41-V43 VanDerWaalsContact O-N 3.15Å; V43-L54 HydrophobicContact CB-CD1 4.11Å; V43-L54 HydrophobicContact CB-CG 4.34Å; V43-I55 CarbonylContact C-O 3.58Å; V43-I55 WeakPolarHBondContact CA-O 3.41Å; V43-T56 HydrophobicContact CB-CG2 4.2Å; V43-T56 HydrophobicContact CG1-CG2 3.53Å; V43-V70 HydrophobicContact CB-CG1 4.42Å; V43-V70 HydrophobicContact CG1-CG1 3.77Å; V43-V70 HydrophobicContact CG2-CG1 4.12Å
44	T	97.1	Very high	84.9	Confident	6 Å²	6	62.5 Å²	62.5	4%	0.037	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	118.4	176.4	-53.8	0	0	0	0	109.1	V46 L54 I55 Q170 R171	T44-V46 HydrophobicContact CG2-CG2 4.2Å; T44-L54 WeakPolarHBondContact O-CA 3.19Å; T44-I55 PolarHBondContact N-O 2.59Å; T44-I55 PolarHBondContact O-N 3.49Å; T44-Q170 HydrophobicContact CG2-CB 3.44Å; T44-Q170 VanDerWaalsContact CG2-CB 3.44Å; T44-Q170 HydrophobicContact CG2-CG 4.5Å; T44-R171 HydrophobicContact CG2-CB 3.98Å; T44-R171 WeakPolarHBondContact OG1-CD 3.32Å; T44-R171 PolarHBondContact OG1-NH1 3.14Å
45	L	97.8	Very high	86.8	Confident	38 Å²	38	56.9 Å²	56.9	20%	0.199	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	110.4	-179.5	176.6	66.1	0	0	0	110.6	E47 F53 L54 Q170	L45-E47 HydrophobicContact CD1-CG 4.13Å; L45-E47 HydrophobicContact CD2-CG 4.22Å; L45-E47 WeakPolarHBondContact CD2-OE2 3.45Å; L45-E47 HydrophobicContact CG-CG 3.89Å; L45-F53 WeakPolarHBondContact CA-O 3.45Å; L45-L54 HydrophobicContact CB-CD1 4.04Å; L45-L54 HydrophobicContact CD1-CD1 4.28Å; L45-Q170 PolarHBondContact O-NE2 3.06Å; L45-Q170 PolarHBondContact O-OE1 2.73Å
46	V	98	Very high	88.5	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.5	176.9	-176.5	0	0	0	0	108.9	T44 F53 I55 V149 L153 M166 I167	T44-V46 HydrophobicContact CG2-CG2 4.2Å; V46-F53 HydrophobicContact CB-CB 4.33Å; V46-F53 PolarHBondContact N-O 3.19Å; V46-F53 WeakPolarHBondContact O-CD2 3.37Å; V46-F53 PolarHBondContact O-N 2.88Å; V46-I55 HydrophobicContact CG2-CD1 4.16Å; V46-V149 HydrophobicContact CB-CG1 4.15Å; V46-V149 HydrophobicContact CG1-CG1 4.1Å; V46-V149 HydrophobicContact CG2-CG1 4.42Å; V46-L153 HydrophobicContact CG1-CD1 3.98Å; V46-L153 HydrophobicContact CG1-CD2 4.22Å; V46-M166 HydrophobicContact CG1-CG 4.16Å; V46-M166 HydrophobicContact CG1-SD 3.77Å; V46-I167 HydrophobicContact CG2-CG1 4.27Å
47	E	97.1	Very high	90.4	Very high	96 Å²	96	50.8 Å²	50.8	45%	0.449	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	131.1	-179	-54.9	-164.1	64.8	0	0	110.7	L45 R52	L45-E47 HydrophobicContact CD1-CG 4.13Å; L45-E47 HydrophobicContact CD2-CG 4.22Å; L45-E47 WeakPolarHBondContact CD2-OE2 3.45Å; L45-E47 HydrophobicContact CG-CG 3.89Å; E47-R52 HydrophobicContact CG-CG 4.09Å; E47-R52 WeakPolarHBondContact OE1-CG 3.36Å; E47-R52 IonicContact OE1-CZ 3.6Å; E47-R52 IonicContact OE1-NE 3.91Å; E47-R52 IonicContact OE1-NH1 2.96Å; E47-R52 PolarHBondContact OE1-NH1 2.94Å; E47-R52 IonicContact OE2-CZ 3Å; E47-R52 IonicContact OE2-NH1 3.75Å; E47-R52 PolarHBondContact OE2-NH1 3.4Å
48	Y	96	Very high	92.1	Very high	50 Å²	50	45.9 Å²	45.9	20%	0.196	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	125.1	174	-176.3	-122.5	0	0	0	110.8	T50 A51 L153 L156 L158	Y48-T50 PolarHBondContact O-N 3.45Å; Y48-A51 PolarHBondContact N-O 3.05Å; Y48-A51 PolarHBondContact O-N 2.92Å; Y48-L153 HydrophobicContact CD1-CD2 3.94Å; Y48-L153 HydrophobicContact CG-CD2 3.91Å; Y48-L156 HydrophobicContact CD1-CB 3.6Å; Y48-L156 HydrophobicContact CD1-CD1 4.02Å; Y48-L156 HydrophobicContact CD1-CG 4.46Å; Y48-L156 HydrophobicContact CE1-CB 3.54Å; Y48-L158 HydrophobicContact CD1-CB 4.46Å; Y48-L158 HydrophobicContact CD2-CD1 4.4Å; Y48-L158 HydrophobicContact CE1-CB 3.84Å; Y48-L158 HydrophobicContact CE1-CD1 4.48Å; Y48-L158 HydrophobicContact CE2-CD1 3.73Å
49	K	92.7	Very high	93.7	Very high	147 Å²	147	38.9 Å²	38.9	64%	0.639	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	-117.7	-170.9	-59.3	-179.8	173.3	-179.5	0	110.4	L156	K49-L156 WeakPolarHBondContact CE-O 3.45Å; K49-L156 PolarHBondContact NZ-O 3.28Å
50	T	90.7	Very high	94.7	Very high	39 Å²	39	38.8 Å²	38.8	24%	0.239	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-13.1	178	45.8	0	0	0	0	113.7	Y48 I195	Y48-T50 PolarHBondContact O-N 3.45Å; T50-I195 WeakPolarHBondContact CG2-O 3.05Å; T50-I195 WeakPolarHBondContact OG1-CD1 3.39Å; T50-I195 PolarHBondContact OG1-O 3.49Å
51	A	96.1	Very high	95.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	134.2	-173	0	0	0	0	0	110.7	Y48 F53 L156 I195	Y48-A51 PolarHBondContact N-O 3.05Å; Y48-A51 PolarHBondContact O-N 2.92Å; A51-F53 HydrophobicContact CB-CE1 4.37Å; A51-F53 HydrophobicContact CB-CE2 3.58Å; A51-F53 HydrophobicContact CB-CZ 3.49Å; A51-F53 VanDerWaalsContact CB-CZ 3.49Å; A51-L156 HydrophobicContact CB-CD1 3.72Å; A51-I195 HydrophobicContact CB-CD1 3.95Å
52	R	98.2	Very high	95.6	Very high	54 Å²	54	46.2 Å²	46.2	20%	0.204	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	118.2	176.5	-68.8	172.6	56.7	92.3	1.5	109.1	E47 G131 C133 I134	E47-R52 HydrophobicContact CG-CG 4.09Å; E47-R52 WeakPolarHBondContact OE1-CG 3.36Å; E47-R52 IonicContact OE1-CZ 3.6Å; E47-R52 IonicContact OE1-NE 3.91Å; E47-R52 IonicContact OE1-NH1 2.96Å; E47-R52 PolarHBondContact OE1-NH1 2.94Å; E47-R52 IonicContact OE2-CZ 3Å; E47-R52 IonicContact OE2-NH1 3.75Å; E47-R52 PolarHBondContact OE2-NH1 3.4Å; R52-G131 PolarHBondContact NE-O 3.45Å; R52-C133 HydrophobicContact CB-CB 4.03Å; R52-C133 WeakPolarHBondContact O-CA 3.47Å; R52-C133 PolarHBondContact O-SG 2.98Å; R52-I134 PolarHBondContact O-N 3.43Å
53	F	98.5	Very high	95.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	134.6	-179.4	-50.2	-80.9	0	0	0	110	L45 V46 A51 W118 I122 I134 V149 A152 L153 L156	L45-F53 WeakPolarHBondContact CA-O 3.45Å; V46-F53 HydrophobicContact CB-CB 4.33Å; V46-F53 PolarHBondContact N-O 3.19Å; V46-F53 WeakPolarHBondContact O-CD2 3.37Å; V46-F53 PolarHBondContact O-N 2.88Å; A51-F53 HydrophobicContact CB-CE1 4.37Å; A51-F53 HydrophobicContact CB-CE2 3.58Å; A51-F53 HydrophobicContact CB-CZ 3.49Å; A51-F53 VanDerWaalsContact CB-CZ 3.49Å; F53-W118 HydrophobicContact CD1-CH2 4.19Å; F53-W118 AromaticContact CD1-CZ2 3.88Å; F53-W118 HydrophobicContact CD1-CZ2 3.88Å; F53-W118 AromaticContact CE1-CZ2 3.96Å; F53-W118 HydrophobicContact CE1-CZ2 3.96Å; F53-I122 HydrophobicContact CE1-CD1 3.67Å; F53-I122 HydrophobicContact CE1-CG1 3.91Å; F53-I122 HydrophobicContact CE1-CG2 4.42Å; F53-I122 HydrophobicContact CZ-CD1 4.22Å; F53-I134 CarbonylContact C-O 3.53Å; F53-I134 WeakPolarHBondContact CA-O 3.34Å; F53-I134 HydrophobicContact CD1-CG2 3.59Å; F53-I134 HydrophobicContact CE1-CG2 4.01Å; F53-V149 HydrophobicContact CB-CG1 3.88Å; F53-V149 HydrophobicContact CB-CG2 3.97Å; F53-V149 HydrophobicContact CD1-CG2 4.42Å; F53-V149 HydrophobicContact CD2-CG1 3.92Å; F53-V149 HydrophobicContact CG-CG1 3.86Å; F53-V149 HydrophobicContact CG-CG2 4.28Å; F53-A152 HydrophobicContact CE1-CB 3.88Å; F53-A152 HydrophobicContact CE2-CB 4.5Å; F53-A152 HydrophobicContact CZ-CB 3.64Å; F53-L153 HydrophobicContact CE2-CD2 4.08Å; F53-L156 HydrophobicContact CE2-CD1 4.47Å; F53-L156 HydrophobicContact CZ-CD1 4.32Å
54	L	98.3	Very high	95.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	107.6	172.8	-164	71.8	0	0	0	109.6	V43 T44 L45 T56 V70 F71 H74 V76 I134 A135 V136	V43-L54 HydrophobicContact CB-CD1 4.11Å; V43-L54 HydrophobicContact CB-CG 4.34Å; T44-L54 WeakPolarHBondContact O-CA 3.19Å; L45-L54 HydrophobicContact CB-CD1 4.04Å; L45-L54 HydrophobicContact CD1-CD1 4.28Å; L54-T56 HydrophobicContact CD2-CG2 4.37Å; L54-T56 HydrophobicContact CG-CG2 4.21Å; L54-V70 HydrophobicContact CD2-CG1 4.32Å; L54-F71 HydrophobicContact CD2-CD1 3.67Å; L54-F71 HydrophobicContact CD2-CE1 3.81Å; L54-H74 HydrophobicContact CD2-CB 4.05Å; L54-V76 HydrophobicContact CB-CG2 4.49Å; L54-V76 HydrophobicContact CD2-CG2 3.88Å; L54-I134 PolarHBondContact N-O 2.91Å; L54-A135 HydrophobicContact CB-CB 4.11Å; L54-A135 CarbonylContact O-C 3.43Å; L54-A135 VanDerWaalsContact O-CA 3.22Å; L54-A135 WeakPolarHBondContact O-CA 3.39Å; L54-V136 PolarHBondContact O-N 3.21Å
55	I	98.3	Very high	95.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	129.2	175.8	-59.5	166.9	0	0	0	108.4	V43 T44 V46 V136 G141 A145 P146 V149 I167	V43-I55 CarbonylContact C-O 3.58Å; V43-I55 WeakPolarHBondContact CA-O 3.41Å; T44-I55 PolarHBondContact N-O 2.59Å; T44-I55 PolarHBondContact O-N 3.49Å; V46-I55 HydrophobicContact CG2-CD1 4.16Å; I55-V136 WeakPolarHBondContact CA-O 3.45Å; I55-V136 HydrophobicContact CG1-CG1 4.33Å; I55-G141 WeakPolarHBondContact CG2-O 3.43Å; I55-A145 HydrophobicContact CG2-CB 4.28Å; I55-P146 HydrophobicContact CD1-CB 4.45Å; I55-P146 HydrophobicContact CD1-CG 4.26Å; I55-P146 HydrophobicContact CG2-CG 4.14Å; I55-V149 HydrophobicContact CD1-CB 4.12Å; I55-V149 HydrophobicContact CD1-CG1 4.3Å; I55-V149 HydrophobicContact CD1-CG2 3.92Å; I55-V149 HydrophobicContact CG1-CB 4.43Å; I55-V149 HydrophobicContact CG1-CG2 3.68Å; I55-I167 HydrophobicContact CD1-CG2 4.16Å
56	T	97.2	Very high	95.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	166	176.5	76.8	0	0	0	0	112.8	V43 L54 F67 F71 V136 H137 G141	V43-T56 HydrophobicContact CB-CG2 4.2Å; V43-T56 HydrophobicContact CG1-CG2 3.53Å; L54-T56 HydrophobicContact CD2-CG2 4.37Å; L54-T56 HydrophobicContact CG-CG2 4.21Å; T56-F67 HydrophobicContact CG2-CE1 4.12Å; T56-F71 HydrophobicContact CG2-CE1 3.82Å; T56-F71 HydrophobicContact CG2-CZ 4.28Å; T56-V136 PolarHBondContact N-O 3.28Å; T56-V136 VanDerWaalsContact N-O 3.12Å; T56-H137 WeakPolarHBondContact O-CB 3.46Å; T56-H137 VanDerWaalsContact OG1-CB 3.22Å; T56-H137 WeakPolarHBondContact OG1-CB 3.15Å; T56-G141 VanDerWaalsContact O-CA 3.24Å; T56-G141 WeakPolarHBondContact O-CA 3.5Å
57	D	95.2	Very high	95.5	Very high	40 Å²	40	45.3 Å²	45.3	21%	0.214	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-74.3	173.8	157.7	58.5	-35.3	0	0	0	111.8	H42 P59 F67	H42-D57 PolarHBondContact N-OD1 3.22Å; D57-P59 WeakPolarHBondContact O-CD 3.33Å; D57-F67 WeakPolarHBondContact O-CZ 3.29Å
58	E	95.8	Very high	95.5	Very high	37 Å²	37	41.9 Å²	41.9	17%	0.173	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-70.7	125.6	-178.3	-174.3	170.6	-131.7	0	0	112.4	T86 Y87 C138 K139	E58-T86 WeakPolarHBondContact OE1-CG2 3.34Å; E58-T86 PolarHBondContact OE1-OG1 3.46Å; E58-Y87 HydrophobicContact CG-CD1 4.27Å; E58-Y87 HydrophobicContact CG-CE1 4.32Å; E58-C138 WeakPolarHBondContact CB-O 3.13Å; E58-K139 WeakPolarHBondContact CB-O 3.24Å; E58-K139 PolarHBondContact N-O 2.92Å
59	P	95.6	Very high	95.5	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-62.5	153.6	168.1	-21.2	31.9	0	0	0	113.2	D57 M64 F67 Y87	D57-P59 WeakPolarHBondContact O-CD 3.33Å; P59-M64 HydrophobicContact CB-CE 3.85Å; P59-F67 VanDerWaalsContact CA-CE2 3.44Å; P59-F67 HydrophobicContact CB-CD2 3.74Å; P59-F67 HydrophobicContact CB-CE2 3.81Å; P59-F67 HydrophobicContact CB-CG 4.13Å; P59-F67 HydrophobicContact CB-CZ 4.23Å; P59-F67 HydrophobicContact CG-CD1 3.92Å; P59-F67 HydrophobicContact CG-CD2 3.97Å; P59-F67 HydrophobicContact CG-CE1 3.82Å; P59-F67 HydrophobicContact CG-CE2 3.89Å; P59-F67 HydrophobicContact CG-CG 3.97Å; P59-F67 HydrophobicContact CG-CZ 3.8Å; P59-Y87 HydrophobicContact CB-CD1 4.16Å; P59-Y87 HydrophobicContact CB-CD2 4.16Å; P59-Y87 HydrophobicContact CB-CE1 4.02Å; P59-Y87 HydrophobicContact CB-CE2 4Å; P59-Y87 HydrophobicContact CB-CG 4.23Å; P59-Y87 HydrophobicContact CG-CE1 3.9Å; P59-Y87 HydrophobicContact CG-CE2 4.08Å; P59-Y87 VanDerWaalsContact O-CD1 3.23Å; P59-Y87 WeakPolarHBondContact O-CD1 3.48Å
60	N	94.3	Very high	95.7	Very high	71 Å²	71	38.2 Å²	38.2	38%	0.38	20%	0.204	S	C	.	.			trans	-141.9	172.1	168.7	62.7	62.8	0	0	0	110.2	H62 N63 M64	N60-H62 PolarHBondContact O-N 2.92Å; N60-H62 VanDerWaalsContact O-N 3.13Å; N60-H62 WeakPolarHBondContact OD1-CA 3.44Å; N60-H62 WeakPolarHBondContact OD1-CB 3.22Å; N60-H62 PolarHBondContact OD1-N 3.43Å; N60-N63 PolarHBondContact N-OD1 3.26Å; N60-N63 PolarHBondContact ND2-ND2 3.21Å; N60-N63 PolarHBondContact O-N 3.47Å; N60-N63 PolarHBondContact O-OD1 2.82Å; N60-N63 PolarHBondContact OD1-N 3.13Å; N60-N63 PolarHBondContact OD1-OD1 3.2Å; N60-M64 PolarHBondContact O-N 3.3Å
61	A	92.4	Very high	96.1	Very high	95 Å²	95	36.4 Å²	36.4	79%	0.785	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-29.4	-176.8	0	0	0	0	0	113.9
62	H	92.5	Very high	96.1	Very high	154 Å²	154	42.1 Å²	42.1	71%	0.713	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-24.8	-178.1	-84.7	67.4	0	0	0	114	N60	N60-H62 PolarHBondContact O-N 2.92Å; N60-H62 VanDerWaalsContact O-N 3.13Å; N60-H62 WeakPolarHBondContact OD1-CA 3.44Å; N60-H62 WeakPolarHBondContact OD1-CB 3.22Å; N60-H62 PolarHBondContact OD1-N 3.43Å
63	N	94.6	Very high	96.1	Very high	13 Å²	13	46.2 Å²	46.2	7%	0.07	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	2.7	-177.8	66.7	10.7	0	0	0	113.7	Q39 N60 E65 N66 F67	Q39-N63 WeakPolarHBondContact O-CB 3.37Å; N60-N63 PolarHBondContact N-OD1 3.26Å; N60-N63 PolarHBondContact ND2-ND2 3.21Å; N60-N63 PolarHBondContact O-N 3.47Å; N60-N63 PolarHBondContact O-OD1 2.82Å; N60-N63 PolarHBondContact OD1-N 3.13Å; N60-N63 PolarHBondContact OD1-OD1 3.2Å; N63-E65 VanDerWaalsContact C-N 3.27Å; N63-E65 PolarHBondContact O-N 3.38Å; N63-N66 WeakPolarHBondContact O-CA 3.26Å; N63-N66 WeakPolarHBondContact O-CB 3.44Å; N63-N66 PolarHBondContact O-N 3.47Å; N63-F67 HydrophobicContact CB-CD2 4.47Å; N63-F67 PolarHBondContact O-N 2.66Å; N63-F67 WeakPolarHBondContact OD1-CD2 3.47Å
64	M	95.8	Very high	96	Very high	14 Å²	14	48 Å²	48	7%	0.069	25%	0.25	C	S	.	.	H	α-helix	trans	-53.2	-42.1	-178.3	-176.2	55.2	70.8	0	0	112.9	P59 N60 N66 F67 V68 Y87 P91 L92	P59-M64 HydrophobicContact CB-CE 3.85Å; N60-M64 PolarHBondContact O-N 3.3Å; M64-N66 VanDerWaalsContact C-N 3.3Å; M64-N66 PolarHBondContact O-N 3.18Å; M64-F67 WeakPolarHBondContact O-CB 3.39Å; M64-F67 PolarHBondContact O-N 2.85Å; M64-F67 VanDerWaalsContact O-N 3.15Å; M64-V68 WeakPolarHBondContact O-CG2 3.39Å; M64-V68 PolarHBondContact O-N 2.94Å; M64-Y87 HydrophobicContact CE-CD2 3.32Å; M64-Y87 HydrophobicContact CE-CE2 3.73Å; M64-Y87 HydrophobicContact CE-CG 4.18Å; M64-P91 HydrophobicContact CG-CB 3.62Å; M64-P91 HydrophobicContact CG-CG 4.07Å; M64-P91 HydrophobicContact SD-CB 4.18Å; M64-L92 HydrophobicContact SD-CD1 4.25Å; M64-L92 HydrophobicContact SD-CD2 4.02Å; M64-L92 HydrophobicContact SD-CG 3.82Å
65	E	94.8	Very high	96	Very high	118 Å²	118	50.2 Å²	50.2	55%	0.551	26%	0.262	S	S	*	.	H	α-helix	trans	-62	-37.5	177.4	-65	176	-175.5	0	0	112.5	Y28 N63 V68 M69	Y28-E65 WeakPolarHBondContact CD1-OE2 3.24Å; Y28-E65 HydrophobicContact CE1-CG 4.11Å; Y28-E65 VanDerWaalsContact CE1-OE1 3.29Å; Y28-E65 WeakPolarHBondContact CE1-OE1 3.26Å; Y28-E65 VanDerWaalsContact CE1-OE2 3.22Å; Y28-E65 WeakPolarHBondContact CE1-OE2 3.45Å; N63-E65 VanDerWaalsContact C-N 3.27Å; N63-E65 PolarHBondContact O-N 3.38Å; E65-V68 PolarHBondContact O-N 2.86Å; E65-M69 PolarHBondContact O-N 2.86Å
66	N	95.6	Very high	96	Very high	22 Å²	22	50.4 Å²	50.4	12%	0.118	26%	0.264	C	S	.	.	H	α-helix	trans	-68.4	-39.5	175.7	-63.6	-34.1	0	0	0	110.6	Q39 N63 M64 M69 V70	Q39-N66 WeakPolarHBondContact CB-ND2 3.46Å; Q39-N66 PolarHBondContact O-ND2 2.82Å; N63-N66 WeakPolarHBondContact O-CA 3.26Å; N63-N66 WeakPolarHBondContact O-CB 3.44Å; N63-N66 PolarHBondContact O-N 3.47Å; M64-N66 VanDerWaalsContact C-N 3.3Å; M64-N66 PolarHBondContact O-N 3.18Å; N66-M69 PolarHBondContact O-N 3.02Å; N66-V70 WeakPolarHBondContact O-CB 3.16Å; N66-V70 VanDerWaalsContact O-CG2 3.29Å; N66-V70 WeakPolarHBondContact O-CG2 3.29Å; N66-V70 PolarHBondContact O-N 2.82Å
67	F	96.8	Very high	96.1	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.7	-47	172.8	-88.8	-80	0	0	0	112.1	P41 T56 D57 P59 N63 M64 M69 V70 F71	P41-F67 HydrophobicContact CB-CD1 3.94Å; P41-F67 HydrophobicContact CB-CD2 4.02Å; P41-F67 HydrophobicContact CB-CE1 3.53Å; P41-F67 HydrophobicContact CB-CE2 3.6Å; P41-F67 HydrophobicContact CB-CG 4.19Å; P41-F67 HydrophobicContact CB-CZ 3.36Å; P41-F67 HydrophobicContact CG-CD1 4.36Å; P41-F67 HydrophobicContact CG-CE1 4.41Å; P41-F67 HydrophobicContact CG-CG 4.44Å; T56-F67 HydrophobicContact CG2-CE1 4.12Å; D57-F67 WeakPolarHBondContact O-CZ 3.29Å; P59-F67 VanDerWaalsContact CA-CE2 3.44Å; P59-F67 HydrophobicContact CB-CD2 3.74Å; P59-F67 HydrophobicContact CB-CE2 3.81Å; P59-F67 HydrophobicContact CB-CG 4.13Å; P59-F67 HydrophobicContact CB-CZ 4.23Å; P59-F67 HydrophobicContact CG-CD1 3.92Å; P59-F67 HydrophobicContact CG-CD2 3.97Å; P59-F67 HydrophobicContact CG-CE1 3.82Å; P59-F67 HydrophobicContact CG-CE2 3.89Å; P59-F67 HydrophobicContact CG-CG 3.97Å; P59-F67 HydrophobicContact CG-CZ 3.8Å; N63-F67 HydrophobicContact CB-CD2 4.47Å; N63-F67 PolarHBondContact O-N 2.66Å; N63-F67 WeakPolarHBondContact OD1-CD2 3.47Å; M64-F67 WeakPolarHBondContact O-CB 3.39Å; M64-F67 PolarHBondContact O-N 2.85Å; M64-F67 VanDerWaalsContact O-N 3.15Å; F67-M69 VanDerWaalsContact C-N 3.3Å; F67-M69 PolarHBondContact O-N 2.99Å; F67-V70 PolarHBondContact O-N 3.25Å; F67-F71 HydrophobicContact CB-CE2 4.31Å; F67-F71 AromaticContact CD1-CE1 3.95Å; F67-F71 HydrophobicContact CD1-CE1 3.95Å; F67-F71 AromaticContact CD1-CE2 3.93Å; F67-F71 HydrophobicContact CD1-CE2 3.93Å; F67-F71 AromaticContact CD1-CZ 3.5Å; F67-F71 HydrophobicContact CD1-CZ 3.5Å; F67-F71 VanDerWaalsContact CD1-CZ 3.5Å; F67-F71 HydrophobicContact CE1-CZ 4.09Å; F67-F71 VanDerWaalsContact O-CB 3.26Å; F67-F71 WeakPolarHBondContact O-CB 3.43Å; F67-F71 WeakPolarHBondContact O-CD2 3.45Å; F67-F71 WeakPolarHBondContact O-CG 3.42Å; F67-F71 PolarHBondContact O-N 3.24Å
68	V	97.1	Very high	96.3	Very high	23 Å²	23	52.8 Å²	52.8	14%	0.139	27%	0.27	C	S	.	.	H	α-helix	trans	-55.4	-46.8	174.7	166.3	0	0	0	0	111	M64 E65 K72 L92 V95	M64-V68 WeakPolarHBondContact O-CG2 3.39Å; M64-V68 PolarHBondContact O-N 2.94Å; E65-V68 PolarHBondContact O-N 2.86Å; V68-K72 HydrophobicContact CG1-CD 4.32Å; V68-K72 WeakPolarHBondContact O-CB 3.47Å; V68-K72 WeakPolarHBondContact O-CG 3.42Å; V68-K72 PolarHBondContact O-N 3.4Å; V68-L92 HydrophobicContact CG2-CD2 3.86Å; V68-V95 HydrophobicContact CG1-CG1 4.13Å; V68-V95 HydrophobicContact CG1-CG2 4.05Å; V68-V95 HydrophobicContact CG2-CG2 4.37Å
69	M	96	Very high	96.4	Very high	107 Å²	107	51 Å²	51	53%	0.527	26%	0.262	S	S	.	.	H	α-helix	trans	-62.5	-48.6	179.1	-177.7	179.3	66.3	0	0	111.9	E65 N66 F67 K72 L73	E65-M69 PolarHBondContact O-N 2.86Å; N66-M69 PolarHBondContact O-N 3.02Å; F67-M69 VanDerWaalsContact C-N 3.3Å; F67-M69 PolarHBondContact O-N 2.99Å; M69-K72 PolarHBondContact O-N 3.39Å; M69-L73 WeakPolarHBondContact O-CB 3.46Å; M69-L73 PolarHBondContact O-N 3.46Å
70	V	96.7	Very high	96.5	Very high	14 Å²	14	51 Å²	51	9%	0.085	26%	0.262	C	S	.	.	H	α-helix	trans	-64.5	-42.8	-179.7	170.2	0	0	0	0	110.9	P41 V43 L54 N66 F67 K72 L73 H74	P41-V70 HydrophobicContact CG-CB 4.25Å; P41-V70 HydrophobicContact CG-CG1 4.49Å; P41-V70 HydrophobicContact CG-CG2 3.82Å; V43-V70 HydrophobicContact CB-CG1 4.42Å; V43-V70 HydrophobicContact CG1-CG1 3.77Å; V43-V70 HydrophobicContact CG2-CG1 4.12Å; L54-V70 HydrophobicContact CD2-CG1 4.32Å; N66-V70 WeakPolarHBondContact O-CB 3.16Å; N66-V70 VanDerWaalsContact O-CG2 3.29Å; N66-V70 WeakPolarHBondContact O-CG2 3.29Å; N66-V70 PolarHBondContact O-N 2.82Å; F67-V70 PolarHBondContact O-N 3.25Å; V70-K72 PolarHBondContact O-N 2.73Å; V70-L73 WeakPolarHBondContact O-CB 3.4Å; V70-L73 PolarHBondContact O-N 3.22Å; V70-H74 PolarHBondContact O-CD2 3.41Å; V70-H74 VanDerWaalsContact O-CD2 3.24Å; V70-H74 PolarHBondContact O-N 3.36Å
71	F	98.2	Very high	96.7	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-40.2	177.9	-71.9	-11.9	0	0	0	112.9	L54 T56 F67 H74 N75 V76 L79 L92 I97 A135	L54-F71 HydrophobicContact CD2-CD1 3.67Å; L54-F71 HydrophobicContact CD2-CE1 3.81Å; T56-F71 HydrophobicContact CG2-CE1 3.82Å; T56-F71 HydrophobicContact CG2-CZ 4.28Å; F67-F71 HydrophobicContact CB-CE2 4.31Å; F67-F71 AromaticContact CD1-CE1 3.95Å; F67-F71 HydrophobicContact CD1-CE1 3.95Å; F67-F71 AromaticContact CD1-CE2 3.93Å; F67-F71 HydrophobicContact CD1-CE2 3.93Å; F67-F71 AromaticContact CD1-CZ 3.5Å; F67-F71 HydrophobicContact CD1-CZ 3.5Å; F67-F71 VanDerWaalsContact CD1-CZ 3.5Å; F67-F71 HydrophobicContact CE1-CZ 4.09Å; F67-F71 VanDerWaalsContact O-CB 3.26Å; F67-F71 WeakPolarHBondContact O-CB 3.43Å; F67-F71 WeakPolarHBondContact O-CD2 3.45Å; F67-F71 WeakPolarHBondContact O-CG 3.42Å; F67-F71 PolarHBondContact O-N 3.24Å; F71-H74 PolarHBondContact O-N 3.22Å; F71-N75 PolarHBondContact O-N 3.21Å; F71-N75 VanDerWaalsContact O-N 3.11Å; F71-V76 HydrophobicContact CB-CB 3.83Å; F71-V76 HydrophobicContact CB-CG1 4.33Å; F71-V76 HydrophobicContact CB-CG2 4.05Å; F71-V76 HydrophobicContact CD1-CB 4.39Å; F71-V76 HydrophobicContact CD1-CG2 3.88Å; F71-V76 HydrophobicContact CG-CB 4.18Å; F71-V76 HydrophobicContact CG-CG1 4.25Å; F71-V76 HydrophobicContact CG-CG2 4.16Å; F71-V76 WeakPolarHBondContact O-CB 3.19Å; F71-V76 PolarHBondContact O-N 3.48Å; F71-L79 HydrophobicContact CE2-CD1 4Å; F71-L79 HydrophobicContact CE2-CD2 3.88Å; F71-L79 HydrophobicContact CE2-CG 4.37Å; F71-L79 HydrophobicContact CZ-CD1 3.66Å; F71-L79 HydrophobicContact CZ-CD2 4.26Å; F71-L79 HydrophobicContact CZ-CG 4.49Å; F71-L92 HydrophobicContact CD2-CD2 3.69Å; F71-L92 HydrophobicContact CE2-CD1 4.36Å; F71-L92 HydrophobicContact CE2-CD2 3.95Å; F71-I97 HydrophobicContact CB-CD1 3.5Å; F71-I97 VanDerWaalsContact CB-CD1 3.5Å; F71-I97 HydrophobicContact CD2-CD1 4.01Å; F71-I97 HydrophobicContact CG-CD1 4.26Å; F71-A135 HydrophobicContact CD1-CB 4.38Å; F71-A135 HydrophobicContact CE1-CB 3.86Å; F71-A135 HydrophobicContact CZ-CB 4.09Å
72	K	97.3	Very high	97	Very high	121 Å²	121	43.7 Å²	43.7	53%	0.526	21%	0.208	S	C	.	.	H	α-helix	trans	-61.5	-44.4	171.3	-75.9	-177.7	176.9	-177.8	0	111.8	V68 M69 V70 H74 N75	V68-K72 HydrophobicContact CG1-CD 4.32Å; V68-K72 WeakPolarHBondContact O-CB 3.47Å; V68-K72 WeakPolarHBondContact O-CG 3.42Å; V68-K72 PolarHBondContact O-N 3.4Å; M69-K72 PolarHBondContact O-N 3.39Å; V70-K72 PolarHBondContact O-N 2.73Å; K72-H74 VanDerWaalsContact C-N 3.3Å; K72-H74 PolarHBondContact O-N 3.15Å; K72-N75 PolarHBondContact O-N 2.96Å; K72-N75 VanDerWaalsContact O-N 3.1Å
73	L	96.9	Very high	97.1	Very high	140 Å²	140	36.7 Å²	36.7	73%	0.733	18%	0.177	S	C	*	.	H	α-helix	trans	-59.2	-40.8	178.4	179.4	65.6	0	0	0	112.3	M69 V70 N75	M69-L73 WeakPolarHBondContact O-CB 3.46Å; M69-L73 PolarHBondContact O-N 3.46Å; V70-L73 WeakPolarHBondContact O-CB 3.4Å; V70-L73 PolarHBondContact O-N 3.22Å; L73-N75 VanDerWaalsContact C-N 3.29Å; L73-N75 PolarHBondContact O-N 3.39Å
74	H	97.7	Very high	97.1	Very high	37 Å²	37	43.1 Å²	43.1	17%	0.171	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	4.4	178.9	-73.8	-80.1	0	0	0	114.2	L54 V70 F71 K72 V76 C133	L54-H74 HydrophobicContact CD2-CB 4.05Å; V70-H74 PolarHBondContact O-CD2 3.41Å; V70-H74 VanDerWaalsContact O-CD2 3.24Å; V70-H74 PolarHBondContact O-N 3.36Å; F71-H74 PolarHBondContact O-N 3.22Å; K72-H74 VanDerWaalsContact C-N 3.3Å; K72-H74 PolarHBondContact O-N 3.15Å; H74-V76 VanDerWaalsContact C-N 3.27Å; H74-V76 HydrophobicContact CB-CG2 4.11Å; H74-V76 PolarHBondContact O-N 3.41Å; H74-C133 WeakPolarHBondContact O-CB 3.44Å
75	N	97.7	Very high	97	Very high	47 Å²	47	44.7 Å²	44.7	25%	0.251	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.5	41.2	-178.1	-164.7	49.9	0	0	0	112.5	F71 K72 L73 R77 G131 S132 C133	F71-N75 PolarHBondContact O-N 3.21Å; F71-N75 VanDerWaalsContact O-N 3.11Å; K72-N75 PolarHBondContact O-N 2.96Å; K72-N75 VanDerWaalsContact O-N 3.1Å; L73-N75 VanDerWaalsContact C-N 3.29Å; L73-N75 PolarHBondContact O-N 3.39Å; N75-R77 PolarHBondContact ND2-NH2 3.38Å; N75-R77 PolarHBondContact OD1-NH1 3.21Å; N75-R77 PolarHBondContact OD1-NH2 2.98Å; N75-G131 VanDerWaalsContact ND2-C 3.3Å; N75-G131 PolarHBondContact ND2-O 2.97Å; N75-G131 VanDerWaalsContact ND2-O 3.15Å; N75-S132 WeakPolarHBondContact ND2-CA 3.4Å; N75-S132 PolarHBondContact ND2-N 2.87Å; N75-C133 PolarHBondContact O-N 3.23Å
76	V	98.6	Very high	97	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.024	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	133	176.7	174.1	0	0	0	0	109.7	L54 F71 H74 K78 I97 C133 A135	L54-V76 HydrophobicContact CB-CG2 4.49Å; L54-V76 HydrophobicContact CD2-CG2 3.88Å; F71-V76 HydrophobicContact CB-CB 3.83Å; F71-V76 HydrophobicContact CB-CG1 4.33Å; F71-V76 HydrophobicContact CB-CG2 4.05Å; F71-V76 HydrophobicContact CD1-CB 4.39Å; F71-V76 HydrophobicContact CD1-CG2 3.88Å; F71-V76 HydrophobicContact CG-CB 4.18Å; F71-V76 HydrophobicContact CG-CG1 4.25Å; F71-V76 HydrophobicContact CG-CG2 4.16Å; F71-V76 WeakPolarHBondContact O-CB 3.19Å; F71-V76 PolarHBondContact O-N 3.48Å; H74-V76 VanDerWaalsContact C-N 3.27Å; H74-V76 HydrophobicContact CB-CG2 4.11Å; H74-V76 PolarHBondContact O-N 3.41Å; V76-K78 WeakPolarHBondContact CG1-O 3.37Å; V76-I97 HydrophobicContact CG1-CG2 4.1Å; V76-C133 CarbonylContact C-O 3.44Å; V76-C133 VanDerWaalsContact CA-O 3.27Å; V76-C133 WeakPolarHBondContact CA-O 3.3Å; V76-C133 HydrophobicContact CG2-CB 4.14Å; V76-A135 HydrophobicContact CG1-CB 3.65Å; V76-A135 HydrophobicContact CG2-CB 4.1Å
77	R	98.6	Very high	97	Very high	79 Å²	79	43.6 Å²	43.6	30%	0.298	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	-36.6	179.2	-64.3	-59.6	-170.7	-122.7	-5	113.1	N75 E98 V125 Q128 C133	N75-R77 PolarHBondContact ND2-NH2 3.38Å; N75-R77 PolarHBondContact OD1-NH1 3.21Å; N75-R77 PolarHBondContact OD1-NH2 2.98Å; R77-E98 PolarHBondContact O-N 3.1Å; R77-E98 VanDerWaalsContact O-N 3.1Å; R77-V125 HydrophobicContact CB-CG1 4.22Å; R77-V125 HydrophobicContact CB-CG2 4.15Å; R77-V125 HydrophobicContact CG-CG1 4.43Å; R77-Q128 HydrophobicContact CG-CB 4.39Å; R77-C133 PolarHBondContact N-O 3.48Å
78	K	98.7	Very high	97	Very high	12 Å²	12	47.8 Å²	47.8	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	140.7	176.9	-59.5	-172	-173.7	-91.1	0	110	V76 E98 L121 V125 I134 A135	V76-K78 WeakPolarHBondContact CG1-O 3.37Å; K78-E98 CarbonylContact C-O 3.33Å; K78-E98 WeakPolarHBondContact CA-O 3.48Å; K78-E98 HydrophobicContact CG-CB 4.24Å; K78-E98 IonicContact NZ-OE1 3.5Å; K78-E98 PolarHBondContact NZ-OE1 3.11Å; K78-E98 IonicContact NZ-OE2 3.87Å; K78-E98 PolarHBondContact NZ-OE2 2.82Å; K78-L121 HydrophobicContact CD-CB 4.45Å; K78-L121 HydrophobicContact CD-CD2 3.78Å; K78-V125 HydrophobicContact CB-CG2 3.95Å; K78-V125 HydrophobicContact CD-CG2 3.72Å; K78-V125 HydrophobicContact CG-CG2 3.61Å; K78-I134 HydrophobicContact CB-CD1 4.48Å; K78-I134 HydrophobicContact CB-CG1 4.32Å; K78-A135 PolarHBondContact O-N 3.21Å
79	L	98.6	Very high	96.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.3	166.5	177	67.4	0	0	0	109.2	F71 Y87 L92 I97 E98 V99 V100 A135	F71-L79 HydrophobicContact CE2-CD1 4Å; F71-L79 HydrophobicContact CE2-CD2 3.88Å; F71-L79 HydrophobicContact CE2-CG 4.37Å; F71-L79 HydrophobicContact CZ-CD1 3.66Å; F71-L79 HydrophobicContact CZ-CD2 4.26Å; F71-L79 HydrophobicContact CZ-CG 4.49Å; L79-Y87 WeakPolarHBondContact CD2-OH 3.49Å; L79-L92 HydrophobicContact CD2-CD1 3.44Å; L79-L92 VanDerWaalsContact CD2-CD1 3.44Å; L79-I97 HydrophobicContact CB-CG2 4.2Å; L79-E98 PolarHBondContact N-O 2.75Å; L79-V99 HydrophobicContact CB-CG2 4.36Å; L79-V99 HydrophobicContact CD2-CG2 4.48Å; L79-V99 CarbonylContact O-C 3.58Å; L79-V99 WeakPolarHBondContact O-CA 3.46Å; L79-V100 PolarHBondContact O-N 3Å; L79-A135 CarbonylContact C-O 3.51Å; L79-A135 WeakPolarHBondContact CA-O 3.47Å; L79-A135 HydrophobicContact CD1-CB 3.51Å
80	V	98.6	Very high	97	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123	176.8	-178.7	0	0	0	0	110.4	V82 V100 L102 W118 L121 I134 A135 V136 H137	V80-V82 HydrophobicContact CG1-CG1 3.95Å; V80-V100 CarbonylContact C-O 3.55Å; V80-V100 WeakPolarHBondContact CA-O 3.4Å; V80-L102 HydrophobicContact CG1-CB 3.87Å; V80-L102 HydrophobicContact CG1-CD1 3.81Å; V80-L102 HydrophobicContact CG1-CG 4.02Å; V80-W118 HydrophobicContact CB-CE3 4.46Å; V80-W118 HydrophobicContact CB-CZ3 4.06Å; V80-W118 HydrophobicContact CG1-CE3 4.38Å; V80-W118 HydrophobicContact CG1-CZ3 4.43Å; V80-W118 HydrophobicContact CG2-CE3 4.03Å; V80-W118 HydrophobicContact CG2-CZ3 3.65Å; V80-L121 HydrophobicContact CG2-CD1 3.78Å; V80-I134 HydrophobicContact CG2-CD1 4.01Å; V80-I134 HydrophobicContact CG2-CG1 4.24Å; V80-A135 PolarHBondContact N-O 3.19Å; V80-V136 HydrophobicContact CB-CB 4.31Å; V80-V136 HydrophobicContact CB-CG2 4.16Å; V80-V136 HydrophobicContact CG1-CG2 4.36Å; V80-V136 WeakPolarHBondContact O-CA 3.49Å; V80-H137 PolarHBondContact O-N 3.21Å
81	R	98.3	Very high	97	Very high	12 Å²	12	53.2 Å²	53.2	5%	0.045	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	116.1	176.5	-42.4	-161.9	-74.7	-163.8	-9	108.9	A85 Y87 V99 V100 D101 L102 H137	R81-A85 VanDerWaalsContact CZ-CB 3.44Å; R81-Y87 VanDerWaalsContact CD-OH 3.23Å; R81-Y87 WeakPolarHBondContact CD-OH 3.41Å; R81-Y87 PolarHBondContact NH1-O 2.98Å; R81-Y87 VanDerWaalsContact NH1-O 3.11Å; R81-V99 HydrophobicContact CG-CG1 3.68Å; R81-V100 PolarHBondContact N-O 3.38Å; R81-D101 IonicContact CZ-OD1 2.77Å; R81-D101 IonicContact CZ-OD2 3.15Å; R81-D101 IonicContact NE-OD1 3.41Å; R81-D101 PolarHBondContact NE-OD1 3.37Å; R81-D101 IonicContact NE-OD2 3.43Å; R81-D101 IonicContact NH2-OD1 2.74Å; R81-D101 PolarHBondContact NH2-OD1 3.03Å; R81-D101 IonicContact NH2-OD2 2.59Å; R81-D101 PolarHBondContact NH2-OD2 3.35Å; R81-L102 CarbonylContact O-C 3.58Å; R81-L102 PolarHBondContact O-N 3.47Å; R81-H137 WeakPolarHBondContact CB-NE2 3.31Å; R81-H137 WeakPolarHBondContact CD-NE2 3.39Å; R81-H137 WeakPolarHBondContact CG-NE2 3.08Å
82	V	97.2	Very high	97	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.267	C	S	.	.			trans	-105.9	15.7	-179.4	-53.8	0	0	0	0	113.4	V80 L102 Y104 V136 H137 C138 R144 A145 L148	V80-V82 HydrophobicContact CG1-CG1 3.95Å; V82-L102 WeakPolarHBondContact CA-O 3.46Å; V82-L102 HydrophobicContact CG1-CB 4.45Å; V82-Y104 HydrophobicContact CB-CD1 4.14Å; V82-Y104 HydrophobicContact CB-CE1 3.83Å; V82-Y104 HydrophobicContact CG1-CE1 4.27Å; V82-Y104 HydrophobicContact CG2-CE1 4.28Å; V82-V136 HydrophobicContact CG1-CG2 3.89Å; V82-H137 VanDerWaalsContact CG2-O 3.31Å; V82-H137 WeakPolarHBondContact CG2-O 3.36Å; V82-H137 PolarHBondContact N-O 3.35Å; V82-C138 HydrophobicContact CG2-CB 3.69Å; V82-R144 HydrophobicContact CG2-CB 3.55Å; V82-R144 PolarHBondContact O-NH1 2.82Å; V82-A145 HydrophobicContact CG2-CB 4.3Å; V82-L148 HydrophobicContact CG1-CD1 3.53Å
83	C	95.3	Very high	97.1	Very high	7 Å²	7	50.8 Å²	50.8	5%	0.047	26%	0.257	C	S	.	.	S	Bend	trans	-135.2	165.7	169.7	61.2	0	0	0	0	109.4	A85 C138	C83-A85 PolarHBondContact O-N 3.28Å; C83-C138 HydrophobicContact CB-CB 4.44Å; C83-C138 VanDerWaalsContact SG-CA 3.53Å
84	K	94.7	Very high	97.1	Very high	149 Å²	149	48.3 Å²	48.3	65%	0.648	26%	0.257	S	S	*	.			trans	-42.5	130.6	172.7	-174.3	174.9	-178.8	176.9	0	112.2	T86 E103	K84-T86 PolarHBondContact O-N 2.91Å; K84-E103 WeakPolarHBondContact CA-OE2 3.47Å; K84-E103 VanDerWaalsContact N-CD 3.35Å; K84-E103 PolarHBondContact N-OE1 3.42Å
85	A	94.2	Very high	97.1	Very high	46 Å²	46	49.1 Å²	49.1	38%	0.38	26%	0.264	S	S	.	.			trans	-65.3	129.3	175.2	0	0	0	0	0	111.6	R81 C83	R81-A85 VanDerWaalsContact CZ-CB 3.44Å; C83-A85 PolarHBondContact O-N 3.28Å
86	T	94.6	Very high	97.1	Very high	93 Å²	93	49.7 Å²	49.7	57%	0.571	28%	0.281	S	S	*	.			trans	-124.7	-6.1	179.2	59.3	0	0	0	0	113.3	E58 K84	E58-T86 WeakPolarHBondContact OE1-CG2 3.34Å; E58-T86 PolarHBondContact OE1-OG1 3.46Å; K84-T86 PolarHBondContact O-N 2.91Å
87	Y	95.7	Very high	97.1	Very high	24 Å²	24	49.7 Å²	49.7	9%	0.094	28%	0.281	C	S	.	.	S	Bend	trans	-138	158.4	-177.3	67.8	-89.1	0	0	0	110.5	E58 P59 M64 L79 R81 L92 H137	E58-Y87 HydrophobicContact CG-CD1 4.27Å; E58-Y87 HydrophobicContact CG-CE1 4.32Å; P59-Y87 HydrophobicContact CB-CD1 4.16Å; P59-Y87 HydrophobicContact CB-CD2 4.16Å; P59-Y87 HydrophobicContact CB-CE1 4.02Å; P59-Y87 HydrophobicContact CB-CE2 4Å; P59-Y87 HydrophobicContact CB-CG 4.23Å; P59-Y87 HydrophobicContact CG-CE1 3.9Å; P59-Y87 HydrophobicContact CG-CE2 4.08Å; P59-Y87 VanDerWaalsContact O-CD1 3.23Å; P59-Y87 WeakPolarHBondContact O-CD1 3.48Å; M64-Y87 HydrophobicContact CE-CD2 3.32Å; M64-Y87 HydrophobicContact CE-CE2 3.73Å; M64-Y87 HydrophobicContact CE-CG 4.18Å; L79-Y87 WeakPolarHBondContact CD2-OH 3.49Å; R81-Y87 VanDerWaalsContact CD-OH 3.23Å; R81-Y87 WeakPolarHBondContact CD-OH 3.41Å; R81-Y87 PolarHBondContact NH1-O 2.98Å; R81-Y87 VanDerWaalsContact NH1-O 3.11Å; Y87-L92 HydrophobicContact CE2-CD1 4.15Å; Y87-H137 AromaticContact CE1-CE1 3.69Å; Y87-H137 AromaticContact CE1-NE2 3.79Å; Y87-H137 AromaticContact CZ-NE2 3.82Å; Y87-H137 PolarHBondContact OH-NE2 2.93Å
88	D	95.5	Very high	97.1	Very high	88 Å²	88	50.1 Å²	50.1	47%	0.471	29%	0.286	S	S	.	.			trans	-76	133.9	179.1	-173.5	12.6	0	0	0	111.7	E90 P91	D88-E90 PolarHBondContact OD1-N 3.41Å; D88-P91 WeakPolarHBondContact O-CD 3.27Å
89	K	96.8	Very high	97	Very high	74 Å²	74	50 Å²	50	32%	0.322	29%	0.286	S	S	.	.	S	Bend	trans	-83.4	-18.8	179.1	61.1	179	-167	139.5	0	113	P91 L92 E93 V99	K89-P91 VanDerWaalsContact C-CD 3.44Å; K89-P91 VanDerWaalsContact C-N 3.34Å; K89-L92 WeakPolarHBondContact O-CB 3.39Å; K89-L92 PolarHBondContact O-N 3.26Å; K89-E93 WeakPolarHBondContact CD-OE1 3.42Å; K89-E93 WeakPolarHBondContact CE-OE1 3.39Å; K89-E93 WeakPolarHBondContact CE-OE2 3.2Å; K89-E93 IonicContact NZ-OE1 3.27Å; K89-E93 PolarHBondContact NZ-OE1 3.09Å; K89-E93 IonicContact NZ-OE2 3.79Å; K89-E93 PolarHBondContact NZ-OE2 3.14Å; K89-E93 PolarHBondContact O-N 3.48Å; K89-V99 HydrophobicContact CB-CB 3.75Å; K89-V99 HydrophobicContact CB-CG1 3.99Å; K89-V99 HydrophobicContact CB-CG2 3.73Å; K89-V99 HydrophobicContact CD-CB 4.24Å
90	E	97.3	Very high	97	Very high	131 Å²	131	51 Å²	51	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-52.3	-42.1	-176.7	-70.7	-170.4	178.7	0	0	113.9	D88 L92 E93 A94	D88-E90 PolarHBondContact OD1-N 3.41Å; E90-L92 PolarHBondContact O-N 2.91Å; E90-E93 PolarHBondContact O-N 3.17Å; E90-A94 WeakPolarHBondContact O-CB 3.38Å; E90-A94 PolarHBondContact O-N 2.8Å
91	P	97	Very high	97	Very high	54 Å²	54	55 Å²	55	35%	0.351	31%	0.314	S	S	.	.	H	α-helix	trans	-60.9	-28.8	178.7	-26	36.4	0	0	0	114.3	M64 D88 K89	M64-P91 HydrophobicContact CG-CB 3.62Å; M64-P91 HydrophobicContact CG-CG 4.07Å; M64-P91 HydrophobicContact SD-CB 4.18Å; D88-P91 WeakPolarHBondContact O-CD 3.27Å; K89-P91 VanDerWaalsContact C-CD 3.44Å; K89-P91 VanDerWaalsContact C-N 3.34Å
92	L	98	Very high	97	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-82.3	-44.5	176.1	-66.3	172.2	0	0	0	111	M64 V68 F71 L79 Y87 K89 E90 A94 V95 G96 I97 V99	M64-L92 HydrophobicContact SD-CD1 4.25Å; M64-L92 HydrophobicContact SD-CD2 4.02Å; M64-L92 HydrophobicContact SD-CG 3.82Å; V68-L92 HydrophobicContact CG2-CD2 3.86Å; F71-L92 HydrophobicContact CD2-CD2 3.69Å; F71-L92 HydrophobicContact CE2-CD1 4.36Å; F71-L92 HydrophobicContact CE2-CD2 3.95Å; L79-L92 HydrophobicContact CD2-CD1 3.44Å; L79-L92 VanDerWaalsContact CD2-CD1 3.44Å; Y87-L92 HydrophobicContact CE2-CD1 4.15Å; K89-L92 WeakPolarHBondContact O-CB 3.39Å; K89-L92 PolarHBondContact O-N 3.26Å; E90-L92 PolarHBondContact O-N 2.91Å; L92-A94 VanDerWaalsContact C-N 3.32Å; L92-A94 PolarHBondContact O-N 3.37Å; L92-V95 WeakPolarHBondContact O-CG2 3.16Å; L92-V95 PolarHBondContact O-N 3.23Å; L92-V95 VanDerWaalsContact O-N 3.16Å; L92-G96 PolarHBondContact O-N 2.95Å; L92-I97 CarbonylContact C-O 3.48Å; L92-I97 HydrophobicContact CB-CB 4.25Å; L92-I97 HydrophobicContact CB-CG2 4.48Å; L92-I97 HydrophobicContact CD2-CD1 4.21Å; L92-I97 WeakPolarHBondContact O-CB 3.46Å; L92-I97 PolarHBondContact O-N 3.4Å; L92-V99 HydrophobicContact CB-CG2 3.85Å; L92-V99 HydrophobicContact CD1-CG2 3.79Å; L92-V99 HydrophobicContact CG-CG2 4.49Å
93	E	98.2	Very high	96.9	Very high	70 Å²	70	60.5 Å²	60.5	33%	0.327	34%	0.341	S	S	.	.	H	α-helix	trans	-65.4	-36.8	179.4	-68.1	-175.5	157.2	0	0	111.6	K89 E90 V95 G96 I97 V99	K89-E93 WeakPolarHBondContact CD-OE1 3.42Å; K89-E93 WeakPolarHBondContact CE-OE1 3.39Å; K89-E93 WeakPolarHBondContact CE-OE2 3.2Å; K89-E93 IonicContact NZ-OE1 3.27Å; K89-E93 PolarHBondContact NZ-OE1 3.09Å; K89-E93 IonicContact NZ-OE2 3.79Å; K89-E93 PolarHBondContact NZ-OE2 3.14Å; K89-E93 PolarHBondContact O-N 3.48Å; E90-E93 PolarHBondContact O-N 3.17Å; E93-V95 PolarHBondContact O-N 3.01Å; E93-V95 VanDerWaalsContact O-N 3.12Å; E93-G96 PolarHBondContact O-N 2.98Å; E93-I97 WeakPolarHBondContact CA-O 3.36Å; E93-I97 PolarHBondContact N-O 3.37Å; E93-V99 HydrophobicContact CG-CG2 4.29Å
94	A	97.7	Very high	97	Very high	88 Å²	88	60.6 Å²	60.6	73%	0.727	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.1	175.7	0	0	0	0	0	113.6	E90 L92	E90-A94 WeakPolarHBondContact O-CB 3.38Å; E90-A94 PolarHBondContact O-N 2.8Å; L92-A94 VanDerWaalsContact C-N 3.32Å; L92-A94 PolarHBondContact O-N 3.37Å
95	V	97.3	Very high	96.8	Very high	53 Å²	53	59.5 Å²	59.5	32%	0.321	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	12.8	175.5	-59.6	0	0	0	0	113.4	V68 L92 E93 I97	V68-V95 HydrophobicContact CG1-CG1 4.13Å; V68-V95 HydrophobicContact CG1-CG2 4.05Å; V68-V95 HydrophobicContact CG2-CG2 4.37Å; L92-V95 WeakPolarHBondContact O-CG2 3.16Å; L92-V95 PolarHBondContact O-N 3.23Å; L92-V95 VanDerWaalsContact O-N 3.16Å; E93-V95 PolarHBondContact O-N 3.01Å; E93-V95 VanDerWaalsContact O-N 3.12Å; V95-I97 HydrophobicContact CG2-CD1 3.83Å; V95-I97 HydrophobicContact CG2-CG1 4.19Å
96	G	97.5	Very high	96.4	Very high	60 Å²	60	63 Å²	63	62%	0.619	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	17.3	176.3	0	0	0	0	0	115	L92 E93	L92-G96 PolarHBondContact O-N 2.95Å; E93-G96 PolarHBondContact O-N 2.98Å
97	I	98.4	Very high	95.7	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	34%	0.337	C	S	.	.			trans	-100	107.8	173.6	-59.6	162.8	0	0	0	108.2	F71 V76 L79 L92 E93 V95	F71-I97 HydrophobicContact CB-CD1 3.5Å; F71-I97 VanDerWaalsContact CB-CD1 3.5Å; F71-I97 HydrophobicContact CD2-CD1 4.01Å; F71-I97 HydrophobicContact CG-CD1 4.26Å; V76-I97 HydrophobicContact CG1-CG2 4.1Å; L79-I97 HydrophobicContact CB-CG2 4.2Å; L92-I97 CarbonylContact C-O 3.48Å; L92-I97 HydrophobicContact CB-CB 4.25Å; L92-I97 HydrophobicContact CB-CG2 4.48Å; L92-I97 HydrophobicContact CD2-CD1 4.21Å; L92-I97 WeakPolarHBondContact O-CB 3.46Å; L92-I97 PolarHBondContact O-N 3.4Å; E93-I97 WeakPolarHBondContact CA-O 3.36Å; E93-I97 PolarHBondContact N-O 3.37Å; V95-I97 HydrophobicContact CG2-CD1 3.83Å; V95-I97 HydrophobicContact CG2-CG1 4.19Å
98	E	98.5	Very high	95.3	Very high	87 Å²	87	59.7 Å²	59.7	41%	0.407	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.3	178.8	-179.3	-169.8	141.9	0	0	110.6	R77 K78 L79 V100	R77-E98 PolarHBondContact O-N 3.1Å; R77-E98 VanDerWaalsContact O-N 3.1Å; K78-E98 CarbonylContact C-O 3.33Å; K78-E98 WeakPolarHBondContact CA-O 3.48Å; K78-E98 HydrophobicContact CG-CB 4.24Å; K78-E98 IonicContact NZ-OE1 3.5Å; K78-E98 PolarHBondContact NZ-OE1 3.11Å; K78-E98 IonicContact NZ-OE2 3.87Å; K78-E98 PolarHBondContact NZ-OE2 2.82Å; L79-E98 PolarHBondContact N-O 2.75Å; E98-V100 HydrophobicContact CG-CG2 4.15Å; E98-V100 WeakPolarHBondContact OE1-CG2 3.41Å
99	V	98.5	Very high	95.2	Very high	9 Å²	9	58.6 Å²	58.6	6%	0.055	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	124.8	178.2	-176.6	0	0	0	0	109.7	L79 R81 K89 L92 E93	L79-V99 HydrophobicContact CB-CG2 4.36Å; L79-V99 HydrophobicContact CD2-CG2 4.48Å; L79-V99 CarbonylContact O-C 3.58Å; L79-V99 WeakPolarHBondContact O-CA 3.46Å; R81-V99 HydrophobicContact CG-CG1 3.68Å; K89-V99 HydrophobicContact CB-CB 3.75Å; K89-V99 HydrophobicContact CB-CG1 3.99Å; K89-V99 HydrophobicContact CB-CG2 3.73Å; K89-V99 HydrophobicContact CD-CB 4.24Å; L92-V99 HydrophobicContact CB-CG2 3.85Å; L92-V99 HydrophobicContact CD1-CG2 3.79Å; L92-V99 HydrophobicContact CG-CG2 4.49Å; E93-V99 HydrophobicContact CG-CG2 4.29Å
100	V	98.4	Very high	95.1	Very high	21 Å²	21	55.5 Å²	55.5	13%	0.127	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	126.8	-178.1	-173.4	0	0	0	0	110.2	L79 V80 R81 E98 L102 L121	L79-V100 PolarHBondContact O-N 3Å; V80-V100 CarbonylContact C-O 3.55Å; V80-V100 WeakPolarHBondContact CA-O 3.4Å; R81-V100 PolarHBondContact N-O 3.38Å; E98-V100 HydrophobicContact CG-CG2 4.15Å; E98-V100 WeakPolarHBondContact OE1-CG2 3.41Å; V100-L102 HydrophobicContact CG1-CG 4.37Å; V100-L121 HydrophobicContact CB-CD1 4.22Å; V100-L121 HydrophobicContact CG1-CD1 3.89Å; V100-L121 HydrophobicContact CG1-CD2 4.38Å; V100-L121 HydrophobicContact CG2-CD1 4.5Å; V100-L121 HydrophobicContact CG2-CD2 4.06Å
101	D	98	Very high	95.1	Very high	84 Å²	84	52.1 Å²	52.1	45%	0.449	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.3	175.3	-68.3	-48.1	0	0	0	111	R81	R81-D101 IonicContact CZ-OD1 2.77Å; R81-D101 IonicContact CZ-OD2 3.15Å; R81-D101 IonicContact NE-OD1 3.41Å; R81-D101 PolarHBondContact NE-OD1 3.37Å; R81-D101 IonicContact NE-OD2 3.43Å; R81-D101 IonicContact NH2-OD1 2.74Å; R81-D101 PolarHBondContact NH2-OD1 3.03Å; R81-D101 IonicContact NH2-OD2 2.59Å; R81-D101 PolarHBondContact NH2-OD2 3.35Å
102	L	97.3	Very high	95	Very high	19 Å²	19	55.6 Å²	55.6	10%	0.099	33%	0.333	C	S	.	.			trans	-133.5	50	173.2	-70.7	-175	0	0	0	109.9	V80 R81 V82 V100 Y104 V114 K117 W118 L121	V80-L102 HydrophobicContact CG1-CB 3.87Å; V80-L102 HydrophobicContact CG1-CD1 3.81Å; V80-L102 HydrophobicContact CG1-CG 4.02Å; R81-L102 CarbonylContact O-C 3.58Å; R81-L102 PolarHBondContact O-N 3.47Å; V82-L102 WeakPolarHBondContact CA-O 3.46Å; V82-L102 HydrophobicContact CG1-CB 4.45Å; V100-L102 HydrophobicContact CG1-CG 4.37Å; L102-Y104 PolarHBondContact O-N 3.22Å; L102-V114 HydrophobicContact CB-CG1 4.32Å; L102-K117 HydrophobicContact CD1-CB 4.28Å; L102-K117 HydrophobicContact CD1-CG 4.16Å; L102-K117 HydrophobicContact CD2-CB 3.89Å; L102-K117 HydrophobicContact CD2-CG 3.61Å; L102-K117 HydrophobicContact CG-CG 4.46Å; L102-W118 HydrophobicContact CD1-CB 4.29Å; L102-L121 HydrophobicContact CD1-CD1 3.65Å; L102-L121 HydrophobicContact CG-CD1 4.44Å
103	E	96.3	Very high	94.9	Very high	109 Å²	109	61 Å²	61	51%	0.509	37%	0.366	S	S	.	.			trans	-57.8	136.4	177.9	179.4	168.3	-162.8	0	0	111.5	K84	K84-E103 WeakPolarHBondContact CA-OE2 3.47Å; K84-E103 VanDerWaalsContact N-CD 3.35Å; K84-E103 PolarHBondContact N-OE1 3.42Å
104	Y	96.1	Very high	94.9	Very high	9 Å²	9	58.1 Å²	58.1	4%	0.035	35%	0.353	C	S	.	.			trans	-148.1	162.6	165.2	69.1	-84	0	0	0	111	V82 L102 P110 V114 R144 L148	V82-Y104 HydrophobicContact CB-CD1 4.14Å; V82-Y104 HydrophobicContact CB-CE1 3.83Å; V82-Y104 HydrophobicContact CG1-CE1 4.27Å; V82-Y104 HydrophobicContact CG2-CE1 4.28Å; L102-Y104 PolarHBondContact O-N 3.22Å; Y104-P110 HydrophobicContact CD2-CB 4.41Å; Y104-P110 HydrophobicContact CE1-CB 4.29Å; Y104-P110 HydrophobicContact CE1-CG 4.41Å; Y104-P110 HydrophobicContact CE2-CB 4.09Å; Y104-P110 HydrophobicContact CE2-CG 3.93Å; Y104-V114 HydrophobicContact CD1-CG1 4.03Å; Y104-V114 HydrophobicContact CE1-CG1 4.42Å; Y104-R144 HydrophobicContact CD2-CG 4.44Å; Y104-R144 HydrophobicContact CE1-CB 4.02Å; Y104-R144 HydrophobicContact CE1-CG 4.25Å; Y104-R144 HydrophobicContact CE2-CB 4.24Å; Y104-R144 HydrophobicContact CE2-CG 3.67Å; Y104-R144 WeakPolarHBondContact O-CD 3.38Å; Y104-R144 PolarHBondContact O-NH1 3.29Å; Y104-R144 WeakPolarHBondContact OH-CA 3.38Å; Y104-R144 VanDerWaalsContact OH-CB 3.24Å; Y104-R144 WeakPolarHBondContact OH-CB 3.22Å; Y104-R144 PolarHBondContact OH-O 3.41Å; Y104-L148 HydrophobicContact CE1-CD1 4.37Å; Y104-L148 HydrophobicContact CE1-CD2 4.37Å; Y104-L148 HydrophobicContact CE1-CG 4.25Å
105	D	91.7	Very high	94.9	Very high	127 Å²	127	54 Å²	54	68%	0.679	32%	0.319	S	S	*	.			trans	-59.7	137.8	-171.2	-69.1	-20.5	0	0	0	113.1	A108	D105-A108 HydrophobicContact CB-CB 3.9Å; D105-A108 PolarHBondContact O-N 2.74Å
106	D	85.6	Confident	94.9	Very high	119 Å²	119	55.2 Å²	55.2	64%	0.636	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	136.9	177.7	-157.7	28.3	0	0	0	111.3	A108 R144	D106-A108 PolarHBondContact O-N 3.41Å; D106-A108 VanDerWaalsContact O-N 3.14Å; D106-R144 IonicContact OD1-CZ 3.99Å; D106-R144 IonicContact OD1-NE 3.04Å; D106-R144 PolarHBondContact OD1-NE 3Å; D106-R144 IonicContact OD1-NH2 3.83Å; D106-R144 IonicContact OD2-NH2 2.64Å
107	G	79.7	Confident	94.9	Very high	20 Å²	20	56.5 Å²	56.5	21%	0.206	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	72	-5.7	-177.7	0	0	0	0	0	115.8	R178	G107-R178 WeakPolarHBondContact O-CD 3.14Å; G107-R178 PolarHBondContact O-NH1 3.1Å
108	A	87.4	Confident	94.9	Very high	28 Å²	28	56.3 Å²	56.3	23%	0.231	31%	0.308	C	S	.	.	S	Bend	trans	-85.6	155.6	168	0	0	0	0	0	110.9	D105 D106	D105-A108 HydrophobicContact CB-CB 3.9Å; D105-A108 PolarHBondContact O-N 2.74Å; D106-A108 PolarHBondContact O-N 3.41Å; D106-A108 VanDerWaalsContact O-N 3.14Å
109	P	93	Very high	94.9	Very high	65 Å²	65	52.2 Å²	52.2	42%	0.422	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-64.1	150.3	164.7	29.7	-34.3	0	0	0	110.2	Y182	P109-Y182 HydrophobicContact CB-CD2 3.38Å; P109-Y182 HydrophobicContact CB-CE2 3.72Å; P109-Y182 HydrophobicContact CB-CG 3.86Å
110	P	95.5	Very high	94.8	Very high	8 Å²	8	55.7 Å²	55.7	5%	0.052	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-58.8	130.9	172.2	-14.5	24.9	0	0	0	110.8	Y104 V114 I115 L148 Y182	Y104-P110 HydrophobicContact CD2-CB 4.41Å; Y104-P110 HydrophobicContact CE1-CB 4.29Å; Y104-P110 HydrophobicContact CE1-CG 4.41Å; Y104-P110 HydrophobicContact CE2-CB 4.09Å; Y104-P110 HydrophobicContact CE2-CG 3.93Å; P110-V114 HydrophobicContact CB-CG1 4.33Å; P110-I115 HydrophobicContact CB-CD1 3.85Å; P110-I115 HydrophobicContact CB-CG1 4.06Å; P110-I115 HydrophobicContact CG-CD1 4.13Å; P110-L148 HydrophobicContact CB-CD2 3.73Å; P110-L148 HydrophobicContact CG-CD2 3.64Å; P110-Y182 HydrophobicContact CG-CE1 4.16Å
111	P	96.3	Very high	94.8	Very high	61 Å²	61	54.8 Å²	54.8	40%	0.396	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-60.1	153	172.8	-24.6	34.3	0	0	0	112.4	V113 V114 I115	P111-V113 HydrophobicContact CB-CG2 3.99Å; P111-V113 PolarHBondContact O-N 3.35Å; P111-V113 VanDerWaalsContact O-N 3.16Å; P111-V114 HydrophobicContact CB-CG2 4.37Å; P111-V114 HydrophobicContact CG-CG2 4.3Å; P111-V114 WeakPolarHBondContact O-CA 3.35Å; P111-V114 WeakPolarHBondContact O-CB 3.4Å; P111-V114 PolarHBondContact O-N 2.71Å; P111-I115 PolarHBondContact O-N 2.81Å; P111-I115 VanDerWaalsContact O-N 3.08Å
112	D	95.3	Very high	94.8	Very high	126 Å²	126	50.8 Å²	50.8	67%	0.674	28%	0.278	S	S	*	.	H	α-helix	trans	-55.7	-36.8	-179.9	-80.5	-20.2	0	0	0	112.9	V114 I115 E116	D112-V114 VanDerWaalsContact C-N 3.3Å; D112-V114 PolarHBondContact O-N 3Å; D112-I115 PolarHBondContact O-N 3.44Å; D112-E116 WeakPolarHBondContact O-CB 3.22Å; D112-E116 PolarHBondContact O-N 3.24Å
113	V	96.7	Very high	94.8	Very high	114 Å²	114	51.3 Å²	51.3	69%	0.691	28%	0.282	S	S	*	.	H	α-helix	trans	-63	-35.5	176.3	-64	0	0	0	0	112.6	P111 K117	P111-V113 HydrophobicContact CB-CG2 3.99Å; P111-V113 PolarHBondContact O-N 3.35Å; P111-V113 VanDerWaalsContact O-N 3.16Å; V113-K117 WeakPolarHBondContact O-CB 3.33Å; V113-K117 PolarHBondContact O-N 3.46Å; V113-K117 VanDerWaalsContact O-N 3.08Å
114	V	98	Very high	94.7	Very high	9 Å²	9	49.2 Å²	49.2	6%	0.055	27%	0.274	C	S	.	.	H	α-helix	trans	-71.2	-43.3	176.4	171.9	0	0	0	0	110	L102 Y104 P110 P111 D112 E116 K117 W118 L148	L102-V114 HydrophobicContact CB-CG1 4.32Å; Y104-V114 HydrophobicContact CD1-CG1 4.03Å; Y104-V114 HydrophobicContact CE1-CG1 4.42Å; P110-V114 HydrophobicContact CB-CG1 4.33Å; P111-V114 HydrophobicContact CB-CG2 4.37Å; P111-V114 HydrophobicContact CG-CG2 4.3Å; P111-V114 WeakPolarHBondContact O-CA 3.35Å; P111-V114 WeakPolarHBondContact O-CB 3.4Å; P111-V114 PolarHBondContact O-N 2.71Å; D112-V114 VanDerWaalsContact C-N 3.3Å; D112-V114 PolarHBondContact O-N 3Å; V114-E116 PolarHBondContact O-N 2.86Å; V114-K117 PolarHBondContact O-N 3.31Å; V114-W118 WeakPolarHBondContact O-CB 3.5Å; V114-W118 PolarHBondContact O-N 3.11Å; V114-L148 HydrophobicContact CG1-CD1 4.26Å; V114-L148 HydrophobicContact CG1-CD2 4.21Å
115	I	97.8	Very high	94.8	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-45.5	176.4	-66.2	-65.6	0	0	0	111.1	P110 P111 D112 W118 F119 L148 A151 F186 R191	P110-I115 HydrophobicContact CB-CD1 3.85Å; P110-I115 HydrophobicContact CB-CG1 4.06Å; P110-I115 HydrophobicContact CG-CD1 4.13Å; P111-I115 PolarHBondContact O-N 2.81Å; P111-I115 VanDerWaalsContact O-N 3.08Å; D112-I115 PolarHBondContact O-N 3.44Å; I115-W118 PolarHBondContact O-N 3.38Å; I115-F119 HydrophobicContact CG2-CD2 4.05Å; I115-F119 HydrophobicContact CG2-CE1 4.46Å; I115-F119 HydrophobicContact CG2-CE2 3.68Å; I115-F119 HydrophobicContact CG2-CZ 3.92Å; I115-F119 WeakPolarHBondContact O-CG 3.49Å; I115-F119 PolarHBondContact O-N 2.88Å; I115-L148 HydrophobicContact CD1-CD2 3.84Å; I115-A151 HydrophobicContact CD1-CB 4.11Å; I115-F186 HydrophobicContact CD1-CE2 4.31Å; I115-F186 HydrophobicContact CG2-CE2 4.12Å; I115-F186 HydrophobicContact CG2-CZ 4.24Å; I115-R191 VanDerWaalsContact CG2-NH1 3.26Å
116	E	97.3	Very high	95	Very high	80 Å²	80	44.1 Å²	44.1	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-63.2	-48.2	-179.2	-176.1	53.2	-146.2	0	0	111.2	D112 V114 W118 F119 Q120	D112-E116 WeakPolarHBondContact O-CB 3.22Å; D112-E116 PolarHBondContact O-N 3.24Å; V114-E116 PolarHBondContact O-N 2.86Å; E116-W118 VanDerWaalsContact C-N 3.34Å; E116-W118 PolarHBondContact O-N 3.03Å; E116-F119 PolarHBondContact O-N 2.99Å; E116-Q120 WeakPolarHBondContact O-CG 3.33Å; E116-Q120 PolarHBondContact O-N 2.86Å; E116-Q120 VanDerWaalsContact O-N 3.1Å; E116-Q120 PolarHBondContact OE1-NE2 2.9Å; E116-Q120 VanDerWaalsContact OE1-NE2 3.1Å
117	K	98.2	Very high	95.4	Very high	86 Å²	86	45 Å²	45	37%	0.374	25%	0.25	S	C	.	.	H	α-helix	trans	-65	-38.9	177.3	-170.2	55.2	173.7	-179	0	112.1	L102 V113 V114 F119 Q120 L121	L102-K117 HydrophobicContact CD1-CB 4.28Å; L102-K117 HydrophobicContact CD1-CG 4.16Å; L102-K117 HydrophobicContact CD2-CB 3.89Å; L102-K117 HydrophobicContact CD2-CG 3.61Å; L102-K117 HydrophobicContact CG-CG 4.46Å; V113-K117 WeakPolarHBondContact O-CB 3.33Å; V113-K117 PolarHBondContact O-N 3.46Å; V113-K117 VanDerWaalsContact O-N 3.08Å; V114-K117 PolarHBondContact O-N 3.31Å; K117-F119 VanDerWaalsContact C-N 3.33Å; K117-F119 PolarHBondContact O-N 3.28Å; K117-Q120 WeakPolarHBondContact O-CB 3.12Å; K117-Q120 PolarHBondContact O-N 3.44Å; K117-L121 HydrophobicContact CG-CD1 4.48Å; K117-L121 VanDerWaalsContact O-CG 3.27Å; K117-L121 WeakPolarHBondContact O-CG 3.45Å; K117-L121 PolarHBondContact O-N 3.06Å
118	W	98.4	Very high	96	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-45.4	175.1	173.4	-127.9	0	0	0	111.9	F53 V80 L102 V114 I115 E116 L121 I122 I134 V136 L148 V149	F53-W118 HydrophobicContact CD1-CH2 4.19Å; F53-W118 AromaticContact CD1-CZ2 3.88Å; F53-W118 HydrophobicContact CD1-CZ2 3.88Å; F53-W118 AromaticContact CE1-CZ2 3.96Å; F53-W118 HydrophobicContact CE1-CZ2 3.96Å; V80-W118 HydrophobicContact CB-CE3 4.46Å; V80-W118 HydrophobicContact CB-CZ3 4.06Å; V80-W118 HydrophobicContact CG1-CE3 4.38Å; V80-W118 HydrophobicContact CG1-CZ3 4.43Å; V80-W118 HydrophobicContact CG2-CE3 4.03Å; V80-W118 HydrophobicContact CG2-CZ3 3.65Å; L102-W118 HydrophobicContact CD1-CB 4.29Å; V114-W118 WeakPolarHBondContact O-CB 3.5Å; V114-W118 PolarHBondContact O-N 3.11Å; I115-W118 PolarHBondContact O-N 3.38Å; E116-W118 VanDerWaalsContact C-N 3.34Å; E116-W118 PolarHBondContact O-N 3.03Å; W118-L121 PolarHBondContact O-N 3.2Å; W118-I122 HydrophobicContact CD2-CD1 4.06Å; W118-I122 HydrophobicContact CD2-CG1 4.25Å; W118-I122 HydrophobicContact CE3-CG1 4.47Å; W118-I122 HydrophobicContact CG-CD1 4.36Å; W118-I122 HydrophobicContact CH2-CG1 4.32Å; W118-I122 HydrophobicContact CZ2-CD1 3.86Å; W118-I122 HydrophobicContact CZ2-CG1 4.08Å; W118-I122 WeakPolarHBondContact O-CG1 3.27Å; W118-I122 PolarHBondContact O-N 2.9Å; W118-I134 HydrophobicContact CE3-CD1 4.09Å; W118-I134 HydrophobicContact CH2-CD1 3.9Å; W118-I134 HydrophobicContact CH2-CG1 3.98Å; W118-I134 HydrophobicContact CH2-CG2 3.88Å; W118-I134 HydrophobicContact CZ3-CD1 3.34Å; W118-I134 HydrophobicContact CZ3-CG1 3.76Å; W118-I134 HydrophobicContact CZ3-CG2 4.45Å; W118-V136 HydrophobicContact CH2-CB 4.1Å; W118-V136 HydrophobicContact CH2-CG1 4.21Å; W118-V136 HydrophobicContact CZ3-CB 4.37Å; W118-L148 HydrophobicContact CB-CD1 4.47Å; W118-L148 HydrophobicContact CD2-CB 4.36Å; W118-L148 HydrophobicContact CD2-CD1 4.2Å; W118-L148 HydrophobicContact CG-CB 4.41Å; W118-L148 HydrophobicContact CG-CD1 4.14Å; W118-L148 HydrophobicContact CZ2-CB 4.44Å; W118-L148 PolarHBondContact NE1-O 3.09Å; W118-V149 HydrophobicContact CZ2-CG2 4.48Å
119	F	97.7	Very high	96.2	Very high	2 Å²	2	48 Å²	48	1%	0.009	26%	0.259	C	S	.	.	H	α-helix	trans	-71.2	-31.4	-179.9	-67.6	-7.6	0	0	0	113.6	I115 E116 K117 I122 T123 A151 A152 E155 F186 R191 L192	I115-F119 HydrophobicContact CG2-CD2 4.05Å; I115-F119 HydrophobicContact CG2-CE1 4.46Å; I115-F119 HydrophobicContact CG2-CE2 3.68Å; I115-F119 HydrophobicContact CG2-CZ 3.92Å; I115-F119 WeakPolarHBondContact O-CG 3.49Å; I115-F119 PolarHBondContact O-N 2.88Å; E116-F119 PolarHBondContact O-N 2.99Å; K117-F119 VanDerWaalsContact C-N 3.33Å; K117-F119 PolarHBondContact O-N 3.28Å; F119-I122 HydrophobicContact CD1-CD1 3.92Å; F119-I122 HydrophobicContact CE1-CD1 4.45Å; F119-T123 PolarHBondContact O-N 2.85Å; F119-T123 VanDerWaalsContact O-N 3.07Å; F119-T123 PolarHBondContact O-OG1 3.15Å; F119-A151 HydrophobicContact CZ-CB 4.44Å; F119-A152 HydrophobicContact CE1-CB 3.99Å; F119-E155 HydrophobicContact CD2-CG 3.94Å; F119-E155 HydrophobicContact CE1-CB 4.35Å; F119-E155 HydrophobicContact CE2-CB 3.73Å; F119-E155 HydrophobicContact CE2-CG 3.45Å; F119-E155 VanDerWaalsContact CE2-CG 3.45Å; F119-E155 WeakPolarHBondContact CE2-OE2 3.48Å; F119-E155 HydrophobicContact CZ-CB 3.6Å; F119-E155 HydrophobicContact CZ-CG 3.87Å; F119-F186 AromaticContact CE2-CZ 3.99Å; F119-F186 HydrophobicContact CE2-CZ 3.99Å; F119-F186 HydrophobicContact CZ-CE1 4.36Å; F119-F186 AromaticContact CZ-CZ 3.78Å; F119-F186 HydrophobicContact CZ-CZ 3.78Å; F119-R191 HydrophobicContact CD2-CB 3.93Å; F119-R191 HydrophobicContact CD2-CG 4.49Å; F119-L192 HydrophobicContact CB-CD2 4Å; F119-L192 HydrophobicContact CB-CG 4.4Å; F119-L192 HydrophobicContact CD1-CD1 4.23Å; F119-L192 HydrophobicContact CE1-CD1 4.48Å; F119-L192 HydrophobicContact CG-CD1 4.48Å; F119-L192 HydrophobicContact CG-CD2 4.42Å; F119-L192 HydrophobicContact CG-CG 4.33Å; F119-L192 WeakPolarHBondContact O-CD2 3.34Å
120	Q	97	Very high	96.2	Very high	81 Å²	81	49.7 Å²	49.7	38%	0.379	27%	0.27	S	S	.	.	H	α-helix	trans	-61.7	-48.2	169.2	-68.7	169.7	11.1	0	0	110.8	E116 K117 I122 T123 D124	E116-Q120 WeakPolarHBondContact O-CG 3.33Å; E116-Q120 PolarHBondContact O-N 2.86Å; E116-Q120 VanDerWaalsContact O-N 3.1Å; E116-Q120 PolarHBondContact OE1-NE2 2.9Å; E116-Q120 VanDerWaalsContact OE1-NE2 3.1Å; K117-Q120 WeakPolarHBondContact O-CB 3.12Å; K117-Q120 PolarHBondContact O-N 3.44Å; Q120-I122 VanDerWaalsContact C-N 3.33Å; Q120-I122 PolarHBondContact O-N 3.34Å; Q120-T123 WeakPolarHBondContact O-CB 3.45Å; Q120-T123 PolarHBondContact O-N 3.12Å; Q120-D124 VanDerWaalsContact O-CG 3.29Å; Q120-D124 PolarHBondContact O-N 2.76Å
121	L	98.2	Very high	96.1	Very high	2 Å²	2	51 Å²	51	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-60.9	-39.6	179	-64.6	170.3	0	0	0	112.6	K78 V80 V100 L102 K117 W118 T123 D124 V125 I134	K78-L121 HydrophobicContact CD-CB 4.45Å; K78-L121 HydrophobicContact CD-CD2 3.78Å; V80-L121 HydrophobicContact CG2-CD1 3.78Å; V100-L121 HydrophobicContact CB-CD1 4.22Å; V100-L121 HydrophobicContact CG1-CD1 3.89Å; V100-L121 HydrophobicContact CG1-CD2 4.38Å; V100-L121 HydrophobicContact CG2-CD1 4.5Å; V100-L121 HydrophobicContact CG2-CD2 4.06Å; L102-L121 HydrophobicContact CD1-CD1 3.65Å; L102-L121 HydrophobicContact CG-CD1 4.44Å; K117-L121 HydrophobicContact CG-CD1 4.48Å; K117-L121 VanDerWaalsContact O-CG 3.27Å; K117-L121 WeakPolarHBondContact O-CG 3.45Å; K117-L121 PolarHBondContact O-N 3.06Å; W118-L121 PolarHBondContact O-N 3.2Å; L121-T123 VanDerWaalsContact C-N 3.34Å; L121-D124 PolarHBondContact O-N 3.07Å; L121-V125 WeakPolarHBondContact O-CB 3.43Å; L121-V125 WeakPolarHBondContact O-CG2 3.47Å; L121-V125 PolarHBondContact O-N 2.92Å; L121-I134 HydrophobicContact CB-CD1 3.78Å
122	I	97.9	Very high	96.2	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-60.9	-45.8	174	-65.9	167.8	0	0	0	110.6	F53 W118 F119 Q120 V125 C126 I134 A152 L192 I195	F53-I122 HydrophobicContact CE1-CD1 3.67Å; F53-I122 HydrophobicContact CE1-CG1 3.91Å; F53-I122 HydrophobicContact CE1-CG2 4.42Å; F53-I122 HydrophobicContact CZ-CD1 4.22Å; W118-I122 HydrophobicContact CD2-CD1 4.06Å; W118-I122 HydrophobicContact CD2-CG1 4.25Å; W118-I122 HydrophobicContact CE3-CG1 4.47Å; W118-I122 HydrophobicContact CG-CD1 4.36Å; W118-I122 HydrophobicContact CH2-CG1 4.32Å; W118-I122 HydrophobicContact CZ2-CD1 3.86Å; W118-I122 HydrophobicContact CZ2-CG1 4.08Å; W118-I122 WeakPolarHBondContact O-CG1 3.27Å; W118-I122 PolarHBondContact O-N 2.9Å; F119-I122 HydrophobicContact CD1-CD1 3.92Å; F119-I122 HydrophobicContact CE1-CD1 4.45Å; Q120-I122 VanDerWaalsContact C-N 3.33Å; Q120-I122 PolarHBondContact O-N 3.34Å; I122-V125 PolarHBondContact O-N 3.13Å; I122-C126 WeakPolarHBondContact O-CB 3.33Å; I122-C126 PolarHBondContact O-N 3.34Å; I122-C126 PolarHBondContact O-SG 3.28Å; I122-I134 HydrophobicContact CG1-CD1 4.41Å; I122-I134 HydrophobicContact CG1-CG2 4.36Å; I122-A152 HydrophobicContact CD1-CB 3.52Å; I122-L192 HydrophobicContact CB-CD2 4.06Å; I122-L192 HydrophobicContact CD1-CD1 4.03Å; I122-L192 HydrophobicContact CG2-CD1 4.2Å; I122-L192 HydrophobicContact CG2-CD2 3.94Å; I122-I195 HydrophobicContact CG2-CD1 4.36Å
123	T	96.1	Very high	96.3	Very high	29 Å²	29	42.4 Å²	42.4	18%	0.178	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-47.8	179.6	-58.5	0	0	0	0	110.6	F119 Q120 L121 V125 C126 Q127 I195	F119-T123 PolarHBondContact O-N 2.85Å; F119-T123 VanDerWaalsContact O-N 3.07Å; F119-T123 PolarHBondContact O-OG1 3.15Å; Q120-T123 WeakPolarHBondContact O-CB 3.45Å; Q120-T123 PolarHBondContact O-N 3.12Å; L121-T123 VanDerWaalsContact C-N 3.34Å; T123-V125 PolarHBondContact O-N 2.86Å; T123-C126 PolarHBondContact O-N 3.23Å; T123-Q127 WeakPolarHBondContact O-CG 3.39Å; T123-Q127 PolarHBondContact O-N 3.49Å; T123-Q127 VanDerWaalsContact O-N 3.17Å; T123-I195 HydrophobicContact CG2-CG2 4.33Å
124	D	95.9	Very high	96.4	Very high	65 Å²	65	37.1 Å²	37.1	35%	0.348	20%	0.204	S	C	.	.	H	α-helix	trans	-57.2	-48.9	177	-64.7	-10.8	0	0	0	111.1	Q120 L121 C126 Q127 Q128	Q120-D124 VanDerWaalsContact O-CG 3.29Å; Q120-D124 PolarHBondContact O-N 2.76Å; L121-D124 PolarHBondContact O-N 3.07Å; D124-C126 PolarHBondContact O-N 3.17Å; D124-Q127 PolarHBondContact O-N 3.32Å; D124-Q128 WeakPolarHBondContact O-CG 3.29Å; D124-Q128 PolarHBondContact O-N 2.86Å
125	V	97.3	Very high	96.5	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-42.2	-179.4	169.5	0	0	0	0	111.7	R77 K78 L121 I122 T123 Q127 Q128 S132 I134	R77-V125 HydrophobicContact CB-CG1 4.22Å; R77-V125 HydrophobicContact CB-CG2 4.15Å; R77-V125 HydrophobicContact CG-CG1 4.43Å; K78-V125 HydrophobicContact CB-CG2 3.95Å; K78-V125 HydrophobicContact CD-CG2 3.72Å; K78-V125 HydrophobicContact CG-CG2 3.61Å; L121-V125 WeakPolarHBondContact O-CB 3.43Å; L121-V125 WeakPolarHBondContact O-CG2 3.47Å; L121-V125 PolarHBondContact O-N 2.92Å; I122-V125 PolarHBondContact O-N 3.13Å; T123-V125 PolarHBondContact O-N 2.86Å; V125-Q127 PolarHBondContact O-N 3.11Å; V125-Q128 WeakPolarHBondContact O-CB 3.26Å; V125-Q128 PolarHBondContact O-N 3.23Å; V125-Q128 VanDerWaalsContact O-N 3.11Å; V125-S132 WeakPolarHBondContact O-CB 3.37Å; V125-I134 HydrophobicContact CB-CB 4.32Å; V125-I134 HydrophobicContact CG1-CB 4.11Å; V125-I134 HydrophobicContact CG2-CB 4.11Å; V125-I134 HydrophobicContact CG2-CD1 4.14Å; V125-I134 HydrophobicContact CG2-CG1 4.35Å
126	C	95.1	Very high	96.5	Very high	27 Å²	27	36.6 Å²	36.6	18%	0.182	20%	0.201	C	C	.	.	H	α-helix	trans	-63.8	-25.4	178.9	-68	0	0	0	0	112.6	I122 T123 D124 I195	I122-C126 WeakPolarHBondContact O-CB 3.33Å; I122-C126 PolarHBondContact O-N 3.34Å; I122-C126 PolarHBondContact O-SG 3.28Å; T123-C126 PolarHBondContact O-N 3.23Å; D124-C126 PolarHBondContact O-N 3.17Å; C126-I195 HydrophobicContact CB-CB 4.05Å; C126-I195 HydrophobicContact CB-CG2 3.78Å
127	Q	94	Very high	96.5	Very high	138 Å²	138	32.9 Å²	32.9	65%	0.645	18%	0.184	S	C	*	.	H	α-helix	trans	-80.1	-15.6	177.1	-70.8	173.9	1.7	0	0	113.7	T123 D124 V125 G129	T123-Q127 WeakPolarHBondContact O-CG 3.39Å; T123-Q127 PolarHBondContact O-N 3.49Å; T123-Q127 VanDerWaalsContact O-N 3.17Å; D124-Q127 PolarHBondContact O-N 3.32Å; V125-Q127 PolarHBondContact O-N 3.11Å; Q127-G129 PolarHBondContact O-N 3.45Å
128	Q	94	Very high	96.3	Very high	92 Å²	92	29.1 Å²	29.1	43%	0.43	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-1	-178.5	-65.6	-177.3	25.7	0	0	114.4	R77 D124 V125	R77-Q128 HydrophobicContact CG-CB 4.39Å; D124-Q128 WeakPolarHBondContact O-CG 3.29Å; D124-Q128 PolarHBondContact O-N 2.86Å; V125-Q128 WeakPolarHBondContact O-CB 3.26Å; V125-Q128 PolarHBondContact O-N 3.23Å; V125-Q128 VanDerWaalsContact O-N 3.11Å
129	G	91.6	Very high	96.1	Very high	20 Å²	20	36.2 Å²	36.2	21%	0.206	20%	0.199	C	C	.	.			trans	122.5	170.3	171.9	0	0	0	0	0	113.6	Q127 S132	Q127-G129 PolarHBondContact O-N 3.45Å; G129-S132 PolarHBondContact N-OG 3.4Å; G129-S132 VanDerWaalsContact O-CB 3.29Å; G129-S132 WeakPolarHBondContact O-CB 3.42Å; G129-S132 PolarHBondContact O-N 2.87Å; G129-S132 PolarHBondContact O-OG 3.3Å
130	P	91.6	Very high	95.8	Very high	99 Å²	99	38.8 Å²	38.8	64%	0.643	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	140.1	-178.2	-25.1	34.2	0	0	0	112.8	S132 Q198	P130-S132 PolarHBondContact O-N 2.96Å; P130-Q198 HydrophobicContact CG-CG 4.43Å
131	G	94.3	Very high	95.5	Very high	37 Å²	37	34.9 Å²	34.9	38%	0.381	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.7	2.6	178.5	0	0	0	0	0	114.9	R52 N75 C133	R52-G131 PolarHBondContact NE-O 3.45Å; N75-G131 VanDerWaalsContact ND2-C 3.3Å; N75-G131 PolarHBondContact ND2-O 2.97Å; N75-G131 VanDerWaalsContact ND2-O 3.15Å; G131-C133 PolarHBondContact O-N 3.49Å
132	S	97.6	Very high	95.3	Very high	5 Å²	5	38 Å²	38	4%	0.035	22%	0.219	C	C	.	.			trans	-59.6	132.4	175.3	-62.3	0	0	0	0	110.5	N75 V125 G129 P130	N75-S132 WeakPolarHBondContact ND2-CA 3.4Å; N75-S132 PolarHBondContact ND2-N 2.87Å; V125-S132 WeakPolarHBondContact O-CB 3.37Å; G129-S132 PolarHBondContact N-OG 3.4Å; G129-S132 VanDerWaalsContact O-CB 3.29Å; G129-S132 WeakPolarHBondContact O-CB 3.42Å; G129-S132 PolarHBondContact O-N 2.87Å; G129-S132 PolarHBondContact O-OG 3.3Å; P130-S132 PolarHBondContact O-N 2.96Å
133	C	98.4	Very high	95.1	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.4	-174.7	-175	0	0	0	0	111	R52 H74 N75 V76 R77 G131	R52-C133 HydrophobicContact CB-CB 4.03Å; R52-C133 WeakPolarHBondContact O-CA 3.47Å; R52-C133 PolarHBondContact O-SG 2.98Å; H74-C133 WeakPolarHBondContact O-CB 3.44Å; N75-C133 PolarHBondContact O-N 3.23Å; V76-C133 CarbonylContact C-O 3.44Å; V76-C133 VanDerWaalsContact CA-O 3.27Å; V76-C133 WeakPolarHBondContact CA-O 3.3Å; V76-C133 HydrophobicContact CG2-CB 4.14Å; R77-C133 PolarHBondContact N-O 3.48Å; G131-C133 PolarHBondContact O-N 3.49Å
134	I	98.7	Very high	95.1	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.015	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.9	169.9	-172.2	162.6	0	0	0	108.7	R52 F53 L54 K78 V80 W118 L121 I122 V125	R52-I134 PolarHBondContact O-N 3.43Å; F53-I134 CarbonylContact C-O 3.53Å; F53-I134 WeakPolarHBondContact CA-O 3.34Å; F53-I134 HydrophobicContact CD1-CG2 3.59Å; F53-I134 HydrophobicContact CE1-CG2 4.01Å; L54-I134 PolarHBondContact N-O 2.91Å; K78-I134 HydrophobicContact CB-CD1 4.48Å; K78-I134 HydrophobicContact CB-CG1 4.32Å; V80-I134 HydrophobicContact CG2-CD1 4.01Å; V80-I134 HydrophobicContact CG2-CG1 4.24Å; W118-I134 HydrophobicContact CE3-CD1 4.09Å; W118-I134 HydrophobicContact CH2-CD1 3.9Å; W118-I134 HydrophobicContact CH2-CG1 3.98Å; W118-I134 HydrophobicContact CH2-CG2 3.88Å; W118-I134 HydrophobicContact CZ3-CD1 3.34Å; W118-I134 HydrophobicContact CZ3-CG1 3.76Å; W118-I134 HydrophobicContact CZ3-CG2 4.45Å; L121-I134 HydrophobicContact CB-CD1 3.78Å; I122-I134 HydrophobicContact CG1-CD1 4.41Å; I122-I134 HydrophobicContact CG1-CG2 4.36Å; V125-I134 HydrophobicContact CB-CB 4.32Å; V125-I134 HydrophobicContact CG1-CB 4.11Å; V125-I134 HydrophobicContact CG2-CB 4.11Å; V125-I134 HydrophobicContact CG2-CD1 4.14Å; V125-I134 HydrophobicContact CG2-CG1 4.35Å
135	A	98.7	Very high	95.2	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	147.7	174.5	0	0	0	0	0	110.1	L54 F71 V76 K78 L79 V80	L54-A135 HydrophobicContact CB-CB 4.11Å; L54-A135 CarbonylContact O-C 3.43Å; L54-A135 VanDerWaalsContact O-CA 3.22Å; L54-A135 WeakPolarHBondContact O-CA 3.39Å; F71-A135 HydrophobicContact CD1-CB 4.38Å; F71-A135 HydrophobicContact CE1-CB 3.86Å; F71-A135 HydrophobicContact CZ-CB 4.09Å; V76-A135 HydrophobicContact CG1-CB 3.65Å; V76-A135 HydrophobicContact CG2-CB 4.1Å; K78-A135 PolarHBondContact O-N 3.21Å; L79-A135 CarbonylContact C-O 3.51Å; L79-A135 WeakPolarHBondContact CA-O 3.47Å; L79-A135 HydrophobicContact CD1-CB 3.51Å; V80-A135 PolarHBondContact N-O 3.19Å
136	V	98.6	Very high	95.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	135	175.2	59.8	0	0	0	0	109.9	L54 I55 T56 V80 V82 W118 A145 V149	L54-V136 PolarHBondContact O-N 3.21Å; I55-V136 WeakPolarHBondContact CA-O 3.45Å; I55-V136 HydrophobicContact CG1-CG1 4.33Å; T56-V136 PolarHBondContact N-O 3.28Å; T56-V136 VanDerWaalsContact N-O 3.12Å; V80-V136 HydrophobicContact CB-CB 4.31Å; V80-V136 HydrophobicContact CB-CG2 4.16Å; V80-V136 HydrophobicContact CG1-CG2 4.36Å; V80-V136 WeakPolarHBondContact O-CA 3.49Å; V82-V136 HydrophobicContact CG1-CG2 3.89Å; W118-V136 HydrophobicContact CH2-CB 4.1Å; W118-V136 HydrophobicContact CH2-CG1 4.21Å; W118-V136 HydrophobicContact CZ3-CB 4.37Å; V136-A145 HydrophobicContact CG1-CB 4.22Å; V136-A145 HydrophobicContact CG2-CB 3.91Å; V136-V149 HydrophobicContact CG1-CG2 3.55Å
137	H	97.5	Very high	95.3	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	153.8	178.9	84.4	90.1	0	0	0	111.6	T56 V80 R81 V82 Y87	T56-H137 WeakPolarHBondContact O-CB 3.46Å; T56-H137 VanDerWaalsContact OG1-CB 3.22Å; T56-H137 WeakPolarHBondContact OG1-CB 3.15Å; V80-H137 PolarHBondContact O-N 3.21Å; R81-H137 WeakPolarHBondContact CB-NE2 3.31Å; R81-H137 WeakPolarHBondContact CD-NE2 3.39Å; R81-H137 WeakPolarHBondContact CG-NE2 3.08Å; V82-H137 VanDerWaalsContact CG2-O 3.31Å; V82-H137 WeakPolarHBondContact CG2-O 3.36Å; V82-H137 PolarHBondContact N-O 3.35Å; Y87-H137 AromaticContact CE1-CE1 3.69Å; Y87-H137 AromaticContact CE1-NE2 3.79Å; Y87-H137 AromaticContact CZ-NE2 3.82Å; Y87-H137 PolarHBondContact OH-NE2 2.93Å
138	C	94.3	Very high	95.5	Very high	7 Å²	7	27.5 Å²	27.5	5%	0.047	17%	0.165	C	C	.	.			trans	-119.7	-141.6	162.2	66.9	0	0	0	0	108	E58 V82 C83 G141 R144 A145	E58-C138 WeakPolarHBondContact CB-O 3.13Å; V82-C138 HydrophobicContact CG2-CB 3.69Å; C83-C138 HydrophobicContact CB-CB 4.44Å; C83-C138 VanDerWaalsContact SG-CA 3.53Å; C138-G141 VanDerWaalsContact SG-CA 3.54Å; C138-G141 PolarHBondContact SG-N 2.91Å; C138-R144 HydrophobicContact CB-CB 4.04Å; C138-A145 HydrophobicContact CB-CB 4.38Å
139	K	94.1	Very high	95.7	Very high	150 Å²	150	23.1 Å²	23.1	65%	0.652	15%	0.145	S	C	*	.	S	Bend	trans	-73.8	-64.6	174.8	-167.7	169.1	-174.9	174	0	112.6	E58	E58-K139 WeakPolarHBondContact CB-O 3.24Å; E58-K139 PolarHBondContact N-O 2.92Å
140	A	92	Very high	96	Very high	55 Å²	55	22.1 Å²	22.1	46%	0.455	14%	0.135	S	C	.	.	S	Bend	trans	-96.1	-7.6	179	0	0	0	0	0	113.8	L142 R171	A140-L142 VanDerWaalsContact C-N 3.29Å; A140-L142 HydrophobicContact CB-CD1 4.34Å; A140-L142 HydrophobicContact CB-CG 4.38Å; A140-L142 PolarHBondContact O-N 3.45Å; A140-R171 PolarHBondContact O-NH2 3.16Å
141	G	90.4	Very high	96.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	68.5	19.9	-174.2	0	0	0	0	0	114.7	I55 T56 C138 P146 R171	I55-G141 WeakPolarHBondContact CG2-O 3.43Å; T56-G141 VanDerWaalsContact O-CA 3.24Å; T56-G141 WeakPolarHBondContact O-CA 3.5Å; C138-G141 VanDerWaalsContact SG-CA 3.54Å; C138-G141 PolarHBondContact SG-N 2.91Å; G141-P146 VanDerWaalsContact O-CD 3.31Å; G141-P146 WeakPolarHBondContact O-CD 3.46Å; G141-P146 WeakPolarHBondContact O-CG 3.33Å; G141-R171 WeakPolarHBondContact O-CD 3.43Å; G141-R171 PolarHBondContact O-NE 3.14Å
142	L	92.8	Very high	96.5	Very high	68 Å²	68	15.7 Å²	15.7	36%	0.356	9%	0.086	S	C	.	.	S	Bend	trans	-105.7	-23.2	-175.2	-68.5	173.7	0	0	0	114.9	A140 R171 A174 L175	A140-L142 VanDerWaalsContact C-N 3.29Å; A140-L142 HydrophobicContact CB-CD1 4.34Å; A140-L142 HydrophobicContact CB-CG 4.38Å; A140-L142 PolarHBondContact O-N 3.45Å; L142-R171 HydrophobicContact CD2-CG 4.06Å; L142-A174 WeakPolarHBondContact O-CA 3.47Å; L142-L175 PolarHBondContact O-N 2.96Å
143	G	93.9	Very high	96.5	Very high	14 Å²	14	15.4 Å²	15.4	14%	0.144	9%	0.085	C	C	.	.	S	Bend	trans	-111.7	-87.7	-176.2	0	0	0	0	0	112.8	A145 P146 A147 Q179	G143-A145 PolarHBondContact O-N 3.33Å; G143-P146 WeakPolarHBondContact O-CD 3.37Å; G143-A147 WeakPolarHBondContact O-CB 3.49Å; G143-A147 PolarHBondContact O-N 3.49Å; G143-Q179 VanDerWaalsContact C-NE2 3.27Å
144	R	96.3	Very high	96.5	Very high	25 Å²	25	16 Å²	16	9%	0.094	9%	0.087	C	C	.	.	H	α-helix	trans	-57.8	-44.3	-171.1	-72.3	177.8	-90.7	171.9	-0.1	114.6	V82 Y104 D106 C138 A147 L148	V82-R144 HydrophobicContact CG2-CB 3.55Å; V82-R144 PolarHBondContact O-NH1 2.82Å; Y104-R144 HydrophobicContact CD2-CG 4.44Å; Y104-R144 HydrophobicContact CE1-CB 4.02Å; Y104-R144 HydrophobicContact CE1-CG 4.25Å; Y104-R144 HydrophobicContact CE2-CB 4.24Å; Y104-R144 HydrophobicContact CE2-CG 3.67Å; Y104-R144 WeakPolarHBondContact O-CD 3.38Å; Y104-R144 PolarHBondContact O-NH1 3.29Å; Y104-R144 WeakPolarHBondContact OH-CA 3.38Å; Y104-R144 VanDerWaalsContact OH-CB 3.24Å; Y104-R144 WeakPolarHBondContact OH-CB 3.22Å; Y104-R144 PolarHBondContact OH-O 3.41Å; D106-R144 IonicContact OD1-CZ 3.99Å; D106-R144 IonicContact OD1-NE 3.04Å; D106-R144 PolarHBondContact OD1-NE 3Å; D106-R144 IonicContact OD1-NH2 3.83Å; D106-R144 IonicContact OD2-NH2 2.64Å; C138-R144 HydrophobicContact CB-CB 4.04Å; R144-A147 PolarHBondContact O-N 3.21Å; R144-L148 PolarHBondContact O-N 3.15Å
145	A	97.3	Very high	96.4	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.8	-52.3	178.9	0	0	0	0	0	112.2	I55 V82 V136 C138 G143 A147 L148 V149	I55-A145 HydrophobicContact CG2-CB 4.28Å; V82-A145 HydrophobicContact CG2-CB 4.3Å; V136-A145 HydrophobicContact CG1-CB 4.22Å; V136-A145 HydrophobicContact CG2-CB 3.91Å; C138-A145 HydrophobicContact CB-CB 4.38Å; G143-A145 PolarHBondContact O-N 3.33Å; A145-A147 VanDerWaalsContact C-N 3.25Å; A145-A147 PolarHBondContact O-N 3.16Å; A145-L148 PolarHBondContact O-N 3.08Å; A145-V149 PolarHBondContact O-N 2.9Å
146	P	97.6	Very high	96.3	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-52.2	-38	169.8	-34	38.8	0	0	0	115	I55 G141 G143 L148 V149 A150 I167 A174 L175	I55-P146 HydrophobicContact CD1-CB 4.45Å; I55-P146 HydrophobicContact CD1-CG 4.26Å; I55-P146 HydrophobicContact CG2-CG 4.14Å; G141-P146 VanDerWaalsContact O-CD 3.31Å; G141-P146 WeakPolarHBondContact O-CD 3.46Å; G141-P146 WeakPolarHBondContact O-CG 3.33Å; G143-P146 WeakPolarHBondContact O-CD 3.37Å; P146-L148 PolarHBondContact O-N 3.37Å; P146-V149 PolarHBondContact O-N 3Å; P146-A150 WeakPolarHBondContact O-CB 3.48Å; P146-A150 PolarHBondContact O-N 3.12Å; P146-I167 HydrophobicContact CB-CG2 4.14Å; P146-A174 HydrophobicContact CB-CB 4.27Å; P146-A174 HydrophobicContact CG-CB 4.17Å; P146-L175 HydrophobicContact CB-CD2 3.74Å; P146-L175 HydrophobicContact CB-CG 3.92Å
147	A	97.2	Very high	96.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	12%	0.118	C	C	.	.	H	α-helix	trans	-64.2	-39	-179.3	0	0	0	0	0	112.4	G143 R144 A145 A151 L175	G143-A147 WeakPolarHBondContact O-CB 3.49Å; G143-A147 PolarHBondContact O-N 3.49Å; R144-A147 PolarHBondContact O-N 3.21Å; A145-A147 VanDerWaalsContact C-N 3.25Å; A145-A147 PolarHBondContact O-N 3.16Å; A147-A151 WeakPolarHBondContact O-CB 3.19Å; A147-A151 PolarHBondContact O-N 3.45Å; A147-L175 HydrophobicContact CB-CD2 3.97Å
148	L	98.3	Very high	96.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-68.8	-40.5	174.5	-70.8	-164.7	0	0	0	112.5	V82 Y104 P110 V114 I115 W118 R144 A145 P146 A151 A152	V82-L148 HydrophobicContact CG1-CD1 3.53Å; Y104-L148 HydrophobicContact CE1-CD1 4.37Å; Y104-L148 HydrophobicContact CE1-CD2 4.37Å; Y104-L148 HydrophobicContact CE1-CG 4.25Å; P110-L148 HydrophobicContact CB-CD2 3.73Å; P110-L148 HydrophobicContact CG-CD2 3.64Å; V114-L148 HydrophobicContact CG1-CD1 4.26Å; V114-L148 HydrophobicContact CG1-CD2 4.21Å; I115-L148 HydrophobicContact CD1-CD2 3.84Å; W118-L148 HydrophobicContact CB-CD1 4.47Å; W118-L148 HydrophobicContact CD2-CB 4.36Å; W118-L148 HydrophobicContact CD2-CD1 4.2Å; W118-L148 HydrophobicContact CG-CB 4.41Å; W118-L148 HydrophobicContact CG-CD1 4.14Å; W118-L148 HydrophobicContact CZ2-CB 4.44Å; W118-L148 PolarHBondContact NE1-O 3.09Å; R144-L148 PolarHBondContact O-N 3.15Å; A145-L148 PolarHBondContact O-N 3.08Å; P146-L148 PolarHBondContact O-N 3.37Å; L148-A151 PolarHBondContact O-N 2.9Å; L148-A152 PolarHBondContact O-N 3.05Å
149	V	98.4	Very high	96.3	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-62.5	-46.1	175.2	176.9	0	0	0	0	110.3	V46 F53 I55 W118 V136 A145 P146 A151 A152 L153 I167	V46-V149 HydrophobicContact CB-CG1 4.15Å; V46-V149 HydrophobicContact CG1-CG1 4.1Å; V46-V149 HydrophobicContact CG2-CG1 4.42Å; F53-V149 HydrophobicContact CB-CG1 3.88Å; F53-V149 HydrophobicContact CB-CG2 3.97Å; F53-V149 HydrophobicContact CD1-CG2 4.42Å; F53-V149 HydrophobicContact CD2-CG1 3.92Å; F53-V149 HydrophobicContact CG-CG1 3.86Å; F53-V149 HydrophobicContact CG-CG2 4.28Å; I55-V149 HydrophobicContact CD1-CB 4.12Å; I55-V149 HydrophobicContact CD1-CG1 4.3Å; I55-V149 HydrophobicContact CD1-CG2 3.92Å; I55-V149 HydrophobicContact CG1-CB 4.43Å; I55-V149 HydrophobicContact CG1-CG2 3.68Å; W118-V149 HydrophobicContact CZ2-CG2 4.48Å; V136-V149 HydrophobicContact CG1-CG2 3.55Å; A145-V149 PolarHBondContact O-N 2.9Å; P146-V149 PolarHBondContact O-N 3Å; V149-A151 VanDerWaalsContact C-N 3.34Å; V149-A151 PolarHBondContact O-N 3Å; V149-A152 WeakPolarHBondContact O-CB 3.39Å; V149-A152 PolarHBondContact O-N 3.25Å; V149-A152 VanDerWaalsContact O-N 3.11Å; V149-L153 HydrophobicContact CG1-CD1 4.42Å; V149-L153 HydrophobicContact CG1-CG 4.46Å; V149-L153 WeakPolarHBondContact O-CG 3.39Å; V149-L153 PolarHBondContact O-N 3Å; V149-I167 HydrophobicContact CB-CD1 4.27Å; V149-I167 HydrophobicContact CG1-CD1 4.11Å; V149-I167 HydrophobicContact CG1-CG1 4.49Å
150	A	98.2	Very high	96.5	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.6	-43.2	176.6	0	0	0	0	0	112.3	P146 A152 L153 I154 I167 L175 L183	P146-A150 WeakPolarHBondContact O-CB 3.48Å; P146-A150 PolarHBondContact O-N 3.12Å; A150-A152 VanDerWaalsContact C-N 3.28Å; A150-A152 PolarHBondContact O-N 2.85Å; A150-L153 PolarHBondContact O-N 3.29Å; A150-I154 VanDerWaalsContact O-CG1 3.29Å; A150-I154 WeakPolarHBondContact O-CG1 3.38Å; A150-I154 PolarHBondContact O-N 3.38Å; A150-I167 HydrophobicContact CB-CD1 3.69Å; A150-L175 HydrophobicContact CB-CD1 4.42Å; A150-L183 HydrophobicContact CB-CD1 3.49Å; A150-L183 VanDerWaalsContact CB-CD1 3.49Å; A150-L183 HydrophobicContact CB-CD2 3.61Å; A150-L183 HydrophobicContact CB-CG 4.2Å
151	A	98.1	Very high	96.7	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-60.4	-38.6	175.4	0	0	0	0	0	112.1	I115 F119 A147 L148 V149 I154 E155 L183 F186	I115-A151 HydrophobicContact CD1-CB 4.11Å; F119-A151 HydrophobicContact CZ-CB 4.44Å; A147-A151 WeakPolarHBondContact O-CB 3.19Å; A147-A151 PolarHBondContact O-N 3.45Å; L148-A151 PolarHBondContact O-N 2.9Å; V149-A151 VanDerWaalsContact C-N 3.34Å; V149-A151 PolarHBondContact O-N 3Å; A151-I154 PolarHBondContact O-N 3.21Å; A151-E155 WeakPolarHBondContact O-CB 3.2Å; A151-E155 PolarHBondContact O-N 3.24Å; A151-L183 HydrophobicContact CB-CD2 4.34Å; A151-F186 HydrophobicContact CB-CE1 4.28Å; A151-F186 HydrophobicContact CB-CE2 4.22Å; A151-F186 HydrophobicContact CB-CZ 4.08Å; A151-F186 WeakPolarHBondContact O-CE1 3.46Å
152	A	98.2	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-67	-42	174.9	0	0	0	0	0	112.6	F53 F119 I122 L148 V149 A150 I154 E155 L156 L192	F53-A152 HydrophobicContact CE1-CB 3.88Å; F53-A152 HydrophobicContact CE2-CB 4.5Å; F53-A152 HydrophobicContact CZ-CB 3.64Å; F119-A152 HydrophobicContact CE1-CB 3.99Å; I122-A152 HydrophobicContact CD1-CB 3.52Å; L148-A152 PolarHBondContact O-N 3.05Å; V149-A152 WeakPolarHBondContact O-CB 3.39Å; V149-A152 PolarHBondContact O-N 3.25Å; V149-A152 VanDerWaalsContact O-N 3.11Å; A150-A152 VanDerWaalsContact C-N 3.28Å; A150-A152 PolarHBondContact O-N 2.85Å; A152-I154 VanDerWaalsContact C-N 3.3Å; A152-I154 PolarHBondContact O-N 3.28Å; A152-E155 PolarHBondContact O-N 3.37Å; A152-L156 WeakPolarHBondContact O-CB 3.45Å; A152-L156 VanDerWaalsContact O-CG 3.24Å; A152-L156 WeakPolarHBondContact O-CG 3.22Å; A152-L156 PolarHBondContact O-N 3.29Å; A152-L192 HydrophobicContact CB-CD1 4.35Å
153	L	98.1	Very high	97.4	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-59.2	-42.6	174.6	-65.3	176	0	0	0	111.6	V46 Y48 F53 V149 A150 L156 G157 L158 A163 M166 I167	V46-L153 HydrophobicContact CG1-CD1 3.98Å; V46-L153 HydrophobicContact CG1-CD2 4.22Å; Y48-L153 HydrophobicContact CD1-CD2 3.94Å; Y48-L153 HydrophobicContact CG-CD2 3.91Å; F53-L153 HydrophobicContact CE2-CD2 4.08Å; V149-L153 HydrophobicContact CG1-CD1 4.42Å; V149-L153 HydrophobicContact CG1-CG 4.46Å; V149-L153 WeakPolarHBondContact O-CG 3.39Å; V149-L153 PolarHBondContact O-N 3Å; A150-L153 PolarHBondContact O-N 3.29Å; L153-L156 CarbonylContact O-C 3.4Å; L153-L156 WeakPolarHBondContact O-CB 3.45Å; L153-L156 PolarHBondContact O-N 3.37Å; L153-G157 PolarHBondContact O-N 3.04Å; L153-L158 HydrophobicContact CB-CB 4.25Å; L153-L158 HydrophobicContact CB-CD2 4.17Å; L153-L158 HydrophobicContact CD1-CD2 4.3Å; L153-L158 WeakPolarHBondContact O-CB 3.29Å; L153-L158 PolarHBondContact O-N 3.01Å; L153-A163 HydrophobicContact CB-CB 3.83Å; L153-A163 HydrophobicContact CD1-CB 3.95Å; L153-M166 HydrophobicContact CD1-SD 4Å; L153-M166 HydrophobicContact CD2-SD 4.27Å; L153-I167 HydrophobicContact CD1-CD1 4.21Å; L153-I167 HydrophobicContact CD1-CG1 4.28Å
154	I	97.8	Very high	97.6	Very high	11 Å²	11	20.2 Å²	20.2	6%	0.056	12%	0.116	C	C	.	.	H	α-helix	trans	-66.1	-42.8	176.5	-61.9	162.8	0	0	0	111.2	A150 A151 A152 L156 G157 L158 A163 L183 F186	A150-I154 VanDerWaalsContact O-CG1 3.29Å; A150-I154 WeakPolarHBondContact O-CG1 3.38Å; A150-I154 PolarHBondContact O-N 3.38Å; A151-I154 PolarHBondContact O-N 3.21Å; A152-I154 VanDerWaalsContact C-N 3.3Å; A152-I154 PolarHBondContact O-N 3.28Å; I154-L156 PolarHBondContact O-N 3.38Å; I154-G157 WeakPolarHBondContact O-CA 3.14Å; I154-G157 PolarHBondContact O-N 3.35Å; I154-L158 WeakPolarHBondContact CA-O 3.31Å; I154-A163 HydrophobicContact CG1-CB 4.09Å; I154-L183 HydrophobicContact CD1-CB 4.04Å; I154-L183 HydrophobicContact CD1-CD2 3.87Å; I154-F186 HydrophobicContact CB-CD1 4.04Å; I154-F186 HydrophobicContact CB-CE1 4.42Å; I154-F186 HydrophobicContact CD1-CD1 4.44Å; I154-F186 HydrophobicContact CG2-CD1 3.77Å; I154-F186 HydrophobicContact CG2-CE1 4.35Å
155	E	97	Very high	97.6	Very high	11 Å²	11	25.3 Å²	25.3	5%	0.051	14%	0.14	C	C	.	.	H	α-helix	trans	-60.1	-32.2	174.2	-168.5	71.5	-165.4	0	0	112.3	F119 A151 A152 G157 P188 K189 K190 R191 L192	F119-E155 HydrophobicContact CD2-CG 3.94Å; F119-E155 HydrophobicContact CE1-CB 4.35Å; F119-E155 HydrophobicContact CE2-CB 3.73Å; F119-E155 HydrophobicContact CE2-CG 3.45Å; F119-E155 VanDerWaalsContact CE2-CG 3.45Å; F119-E155 WeakPolarHBondContact CE2-OE2 3.48Å; F119-E155 HydrophobicContact CZ-CB 3.6Å; F119-E155 HydrophobicContact CZ-CG 3.87Å; A151-E155 WeakPolarHBondContact O-CB 3.2Å; A151-E155 PolarHBondContact O-N 3.24Å; A152-E155 PolarHBondContact O-N 3.37Å; E155-G157 PolarHBondContact O-N 3.27Å; E155-P188 WeakPolarHBondContact OE2-CA 3.4Å; E155-K189 VanDerWaalsContact OE1-C 3.26Å; E155-K189 WeakPolarHBondContact OE1-CA 3.49Å; E155-K189 PolarHBondContact OE1-N 3.22Å; E155-K189 PolarHBondContact OE2-N 3.16Å; E155-K189 VanDerWaalsContact OE2-N 3.09Å; E155-K190 WeakPolarHBondContact OE1-CA 3.35Å; E155-K190 PolarHBondContact OE1-N 3.44Å; E155-R191 HydrophobicContact CG-CB 4.41Å; E155-R191 WeakPolarHBondContact OE1-CB 3.19Å; E155-R191 IonicContact OE1-CZ 2.82Å; E155-R191 PolarHBondContact OE1-N 3.12Å; E155-R191 IonicContact OE1-NE 2.87Å; E155-R191 PolarHBondContact OE1-NE 2.84Å; E155-R191 IonicContact OE1-NH2 3.99Å; E155-R191 IonicContact OE2-CZ 2.62Å; E155-R191 IonicContact OE2-NE 2.78Å; E155-R191 PolarHBondContact OE2-NE 3.02Å; E155-R191 IonicContact OE2-NH2 3.61Å; E155-R191 PolarHBondContact OE2-NH2 3.42Å; E155-L192 HydrophobicContact CB-CD1 4.16Å; E155-L192 HydrophobicContact CG-CB 4.16Å; E155-L192 HydrophobicContact CG-CD1 4.11Å; E155-L192 HydrophobicContact CG-CG 3.93Å
156	L	96.2	Very high	97.7	Very high	12 Å²	12	28.1 Å²	28.1	6%	0.063	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-3	174	-68.7	168.7	0	0	0	113.6	Y48 K49 A51 F53 A152 L153 I154 L192 I195	Y48-L156 HydrophobicContact CD1-CB 3.6Å; Y48-L156 HydrophobicContact CD1-CD1 4.02Å; Y48-L156 HydrophobicContact CD1-CG 4.46Å; Y48-L156 HydrophobicContact CE1-CB 3.54Å; K49-L156 WeakPolarHBondContact CE-O 3.45Å; K49-L156 PolarHBondContact NZ-O 3.28Å; A51-L156 HydrophobicContact CB-CD1 3.72Å; F53-L156 HydrophobicContact CE2-CD1 4.47Å; F53-L156 HydrophobicContact CZ-CD1 4.32Å; A152-L156 WeakPolarHBondContact O-CB 3.45Å; A152-L156 VanDerWaalsContact O-CG 3.24Å; A152-L156 WeakPolarHBondContact O-CG 3.22Å; A152-L156 PolarHBondContact O-N 3.29Å; L153-L156 CarbonylContact O-C 3.4Å; L153-L156 WeakPolarHBondContact O-CB 3.45Å; L153-L156 PolarHBondContact O-N 3.37Å; I154-L156 PolarHBondContact O-N 3.38Å; L156-L192 HydrophobicContact CD1-CD1 4.41Å; L156-L192 HydrophobicContact CD2-CB 3.66Å; L156-L192 HydrophobicContact CD2-CD1 4.08Å; L156-L192 HydrophobicContact CG-CB 4.32Å; L156-L192 HydrophobicContact CG-CD1 3.93Å; L156-I195 HydrophobicContact CD1-CD1 4.35Å; L156-I195 HydrophobicContact CD2-CD1 3.5Å; L156-I195 HydrophobicContact CD2-CG1 3.81Å
157	G	95.4	Very high	97.7	Very high	52 Å²	52	28.1 Å²	28.1	54%	0.536	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	13.9	172.8	0	0	0	0	0	115.1	L153 I154 E155	L153-G157 PolarHBondContact O-N 3.04Å; I154-G157 WeakPolarHBondContact O-CA 3.14Å; I154-G157 PolarHBondContact O-N 3.35Å; E155-G157 PolarHBondContact O-N 3.27Å
158	L	96.8	Very high	97.7	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.063	17%	0.172	C	C	.	.			trans	-80.1	135.9	170.4	-157.1	65.8	0	0	0	109.9	Y48 L153 I154 E162 A163 M166	Y48-L158 HydrophobicContact CD1-CB 4.46Å; Y48-L158 HydrophobicContact CD2-CD1 4.4Å; Y48-L158 HydrophobicContact CE1-CB 3.84Å; Y48-L158 HydrophobicContact CE1-CD1 4.48Å; Y48-L158 HydrophobicContact CE2-CD1 3.73Å; L153-L158 HydrophobicContact CB-CB 4.25Å; L153-L158 HydrophobicContact CB-CD2 4.17Å; L153-L158 HydrophobicContact CD1-CD2 4.3Å; L153-L158 WeakPolarHBondContact O-CB 3.29Å; L153-L158 PolarHBondContact O-N 3.01Å; I154-L158 WeakPolarHBondContact CA-O 3.31Å; L158-E162 HydrophobicContact CD1-CB 4.12Å; L158-E162 VanDerWaalsContact CD1-OE2 3.31Å; L158-E162 WeakPolarHBondContact CD1-OE2 3.38Å; L158-E162 HydrophobicContact CD2-CB 4.21Å; L158-E162 HydrophobicContact CG-CB 3.85Å; L158-A163 HydrophobicContact CD2-CB 4.08Å; L158-M166 HydrophobicContact CD2-CE 3.74Å; L158-M166 HydrophobicContact CD2-SD 4.19Å
159	P	97.7	Very high	97.6	Very high	61 Å²	61	35.9 Å²	35.9	40%	0.396	20%	0.204	S	C	.	.			trans	-57.3	147.6	171.5	-24.8	35.3	0	0	0	111.5	T161 E162 A163	P159-T161 PolarHBondContact O-N 2.91Å; P159-E162 HydrophobicContact CB-CG 4.46Å; P159-E162 HydrophobicContact CG-CG 4.45Å; P159-E162 PolarHBondContact O-N 2.98Å; P159-A163 PolarHBondContact O-N 2.82Å
160	Y	98	Very high	97.4	Very high	77 Å²	77	40.6 Å²	40.6	30%	0.302	23%	0.226	S	C	.	.	H	α-helix	trans	-59.7	-32.6	-178.3	80.8	-87.1	0	0	0	112.7	V164 K184	Y160-V164 WeakPolarHBondContact O-CB 3.48Å; Y160-V164 WeakPolarHBondContact O-CG2 3.37Å; Y160-V164 PolarHBondContact O-N 3.1Å; Y160-K184 HydrophobicContact CD1-CG 4.43Å; Y160-K184 HydrophobicContact CD2-CB 4.02Å; Y160-K184 HydrophobicContact CE1-CB 4.4Å; Y160-K184 HydrophobicContact CE1-CG 3.92Å; Y160-K184 HydrophobicContact CE2-CB 3.85Å; Y160-K184 HydrophobicContact CE2-CD 4.37Å; Y160-K184 HydrophobicContact CE2-CG 4Å; Y160-K184 HydrophobicContact CG-CB 4.36Å
161	T	97.9	Very high	97.2	Very high	59 Å²	59	40.6 Å²	40.6	36%	0.362	23%	0.226	S	C	.	.	H	α-helix	trans	-63.2	-51.5	176.7	46.6	0	0	0	0	110.9	P159 A163 V164 E165	P159-T161 PolarHBondContact O-N 2.91Å; T161-A163 PolarHBondContact O-N 3.3Å; T161-V164 PolarHBondContact O-N 2.9Å; T161-E165 WeakPolarHBondContact O-CB 3.24Å; T161-E165 WeakPolarHBondContact O-CG 3.44Å; T161-E165 PolarHBondContact O-N 3.04Å
162	E	98.2	Very high	96.9	Very high	96 Å²	96	47.4 Å²	47.4	45%	0.449	26%	0.262	S	S	.	.	H	α-helix	trans	-65.2	-37.8	178.4	-70.5	178.6	-144.1	0	0	112	L158 P159 V164 E165 M166	L158-E162 HydrophobicContact CD1-CB 4.12Å; L158-E162 VanDerWaalsContact CD1-OE2 3.31Å; L158-E162 WeakPolarHBondContact CD1-OE2 3.38Å; L158-E162 HydrophobicContact CD2-CB 4.21Å; L158-E162 HydrophobicContact CG-CB 3.85Å; P159-E162 HydrophobicContact CB-CG 4.46Å; P159-E162 HydrophobicContact CG-CG 4.45Å; P159-E162 PolarHBondContact O-N 2.98Å; E162-V164 PolarHBondContact O-N 2.81Å; E162-E165 PolarHBondContact O-N 3.45Å; E162-M166 WeakPolarHBondContact O-CB 3.44Å; E162-M166 PolarHBondContact O-N 3.22Å
163	A	98.3	Very high	96.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-43.1	175.2	0	0	0	0	0	112.3	L153 I154 L158 P159 T161 I167	L153-A163 HydrophobicContact CB-CB 3.83Å; L153-A163 HydrophobicContact CD1-CB 3.95Å; I154-A163 HydrophobicContact CG1-CB 4.09Å; L158-A163 HydrophobicContact CD2-CB 4.08Å; P159-A163 PolarHBondContact O-N 2.82Å; T161-A163 PolarHBondContact O-N 3.3Å; A163-I167 WeakPolarHBondContact O-CG1 3.38Å; A163-I167 PolarHBondContact O-N 3.38Å
164	V	98	Very high	96.5	Very high	8 Å²	8	50.5 Å²	50.5	5%	0.048	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-45	176.6	170.8	0	0	0	0	110.8	Y160 T161 E162 I167 R168 L175 V180 L183	Y160-V164 WeakPolarHBondContact O-CB 3.48Å; Y160-V164 WeakPolarHBondContact O-CG2 3.37Å; Y160-V164 PolarHBondContact O-N 3.1Å; T161-V164 PolarHBondContact O-N 2.9Å; E162-V164 PolarHBondContact O-N 2.81Å; V164-I167 PolarHBondContact O-N 3.5Å; V164-R168 HydrophobicContact CG1-CG 4.42Å; V164-R168 WeakPolarHBondContact O-CB 3.44Å; V164-R168 WeakPolarHBondContact O-CG 3.31Å; V164-R168 PolarHBondContact O-N 2.85Å; V164-L175 HydrophobicContact CB-CD1 4.33Å; V164-L175 HydrophobicContact CG1-CD1 4.18Å; V164-L175 HydrophobicContact CG2-CD1 3.93Å; V164-V180 HydrophobicContact CG1-CG2 4.18Å; V164-V180 HydrophobicContact CG2-CG2 4.28Å; V164-L183 HydrophobicContact CG2-CD1 3.9Å
165	E	97.9	Very high	96.4	Very high	131 Å²	131	50.2 Å²	50.2	61%	0.612	29%	0.293	S	S	*	.	H	α-helix	trans	-63.8	-43.5	178.9	-75.1	171.8	-172.1	0	0	112.2	T161 E162 I167 R168 G169	T161-E165 WeakPolarHBondContact O-CB 3.24Å; T161-E165 WeakPolarHBondContact O-CG 3.44Å; T161-E165 PolarHBondContact O-N 3.04Å; E162-E165 PolarHBondContact O-N 3.45Å; E165-I167 VanDerWaalsContact C-N 3.3Å; E165-I167 PolarHBondContact O-N 3.15Å; E165-R168 PolarHBondContact O-N 3.05Å; E165-G169 PolarHBondContact O-N 3.24Å
166	M	98.1	Very high	96.3	Very high	59 Å²	59	53.2 Å²	53.2	29%	0.291	31%	0.309	S	S	.	.	H	α-helix	trans	-57	-44	176.7	-179.7	-179.5	-72.2	0	0	111.6	V46 L153 L158 E162	V46-M166 HydrophobicContact CG1-CG 4.16Å; V46-M166 HydrophobicContact CG1-SD 3.77Å; L153-M166 HydrophobicContact CD1-SD 4Å; L153-M166 HydrophobicContact CD2-SD 4.27Å; L158-M166 HydrophobicContact CD2-CE 3.74Å; L158-M166 HydrophobicContact CD2-SD 4.19Å; E162-M166 WeakPolarHBondContact O-CB 3.44Å; E162-M166 PolarHBondContact O-N 3.22Å
167	I	98	Very high	96.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-71	-46.2	178.3	-65.7	167.7	0	0	0	110.7	V46 I55 P146 V149 A150 L153 A163 V164 E165 G169 Q170 R171 A174 L175	V46-I167 HydrophobicContact CG2-CG1 4.27Å; I55-I167 HydrophobicContact CD1-CG2 4.16Å; P146-I167 HydrophobicContact CB-CG2 4.14Å; V149-I167 HydrophobicContact CB-CD1 4.27Å; V149-I167 HydrophobicContact CG1-CD1 4.11Å; V149-I167 HydrophobicContact CG1-CG1 4.49Å; A150-I167 HydrophobicContact CB-CD1 3.69Å; L153-I167 HydrophobicContact CD1-CD1 4.21Å; L153-I167 HydrophobicContact CD1-CG1 4.28Å; A163-I167 WeakPolarHBondContact O-CG1 3.38Å; A163-I167 PolarHBondContact O-N 3.38Å; V164-I167 PolarHBondContact O-N 3.5Å; E165-I167 VanDerWaalsContact C-N 3.3Å; E165-I167 PolarHBondContact O-N 3.15Å; I167-G169 VanDerWaalsContact C-N 3.33Å; I167-G169 PolarHBondContact O-N 3.24Å; I167-Q170 PolarHBondContact O-N 2.95Å; I167-R171 PolarHBondContact O-N 2.88Å; I167-A174 HydrophobicContact CG2-CB 3.78Å; I167-L175 HydrophobicContact CD1-CD1 4.43Å
168	R	97.3	Very high	96.1	Very high	99 Å²	99	62.5 Å²	62.5	37%	0.374	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-33.9	-178.3	-77.2	179.3	173.1	171.8	-3	113.2	V164 E165 Q170 R171 N172 A174 L175	V164-R168 HydrophobicContact CG1-CG 4.42Å; V164-R168 WeakPolarHBondContact O-CB 3.44Å; V164-R168 WeakPolarHBondContact O-CG 3.31Å; V164-R168 PolarHBondContact O-N 2.85Å; E165-R168 PolarHBondContact O-N 3.05Å; R168-Q170 PolarHBondContact O-N 3.22Å; R168-R171 CarbonylContact O-C 3.53Å; R168-R171 PolarHBondContact O-N 3.43Å; R168-N172 PolarHBondContact O-OD1 2.89Å; R168-A174 HydrophobicContact CG-CB 4.46Å; R168-A174 WeakPolarHBondContact CG-O 3.46Å; R168-A174 PolarHBondContact NE-O 3Å; R168-L175 PolarHBondContact NH2-O 2.84Å
169	G	96.1	Very high	96	Very high	66 Å²	66	62.4 Å²	62.4	68%	0.68	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-21.2	176.6	0	0	0	0	0	113.4	E165 I167	E165-G169 PolarHBondContact O-N 3.24Å; I167-G169 VanDerWaalsContact C-N 3.33Å; I167-G169 PolarHBondContact O-N 3.24Å
170	Q	93.7	Very high	96	Very high	98 Å²	98	61 Å²	61	46%	0.458	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-20.2	176.4	-53.4	-171.9	21.4	0	0	113.9	T44 L45 I167 R168	T44-Q170 HydrophobicContact CG2-CB 3.44Å; T44-Q170 VanDerWaalsContact CG2-CB 3.44Å; T44-Q170 HydrophobicContact CG2-CG 4.5Å; L45-Q170 PolarHBondContact O-NE2 3.06Å; L45-Q170 PolarHBondContact O-OE1 2.73Å; I167-Q170 PolarHBondContact O-N 2.95Å; R168-Q170 PolarHBondContact O-N 3.22Å
171	R	93.8	Very high	95.9	Very high	1 Å²	1	62 Å²	62	0%	0.004	34%	0.343	C	S	.	.	S	Bend	trans	-136.1	88	-179.6	-161.7	173.3	-172	91.7	-2.1	110.3	H42 T44 A140 G141 L142 I167 R168 G173 A174	H42-R171 PolarHBondContact CE1-NH1 3.36Å; H42-R171 VanDerWaalsContact CE1-NH1 3.34Å; H42-R171 PolarHBondContact ND1-NH1 3Å; H42-R171 PolarHBondContact ND1-NH2 2.92Å; H42-R171 PolarHBondContact O-NH1 3.38Å; H42-R171 PolarHBondContact O-NH2 3.08Å; T44-R171 HydrophobicContact CG2-CB 3.98Å; T44-R171 WeakPolarHBondContact OG1-CD 3.32Å; T44-R171 PolarHBondContact OG1-NH1 3.14Å; A140-R171 PolarHBondContact O-NH2 3.16Å; G141-R171 WeakPolarHBondContact O-CD 3.43Å; G141-R171 PolarHBondContact O-NE 3.14Å; L142-R171 HydrophobicContact CD2-CG 4.06Å; I167-R171 PolarHBondContact O-N 2.88Å; R168-R171 CarbonylContact O-C 3.53Å; R168-R171 PolarHBondContact O-N 3.43Å; R171-G173 PolarHBondContact O-N 3.28Å; R171-A174 HydrophobicContact CB-CB 4.3Å; R171-A174 HydrophobicContact CG-CB 4.45Å; R171-A174 VanDerWaalsContact O-CB 3.22Å; R171-A174 WeakPolarHBondContact O-CB 3.27Å; R171-A174 PolarHBondContact O-N 2.86Å; R171-A174 VanDerWaalsContact O-N 3.13Å
172	N	93.1	Very high	95.9	Very high	142 Å²	142	61.3 Å²	61.3	76%	0.759	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	135	-179.4	-68.5	-29.7	0	0	0	111.7	R168 A174	R168-N172 PolarHBondContact O-OD1 2.89Å; N172-A174 VanDerWaalsContact C-N 3.27Å; N172-A174 PolarHBondContact O-N 3.42Å
173	G	92.5	Very high	95.8	Very high	66 Å²	66	56.8 Å²	56.8	68%	0.68	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	4.8	179.4	0	0	0	0	0	115.3	R171	R171-G173 PolarHBondContact O-N 3.28Å
174	A	95.5	Very high	95.8	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.335	C	S	.	.			trans	-63.9	143.5	172.8	0	0	0	0	0	111.7	L142 P146 I167 R168 R171 N172	L142-A174 WeakPolarHBondContact O-CA 3.47Å; P146-A174 HydrophobicContact CB-CB 4.27Å; P146-A174 HydrophobicContact CG-CB 4.17Å; I167-A174 HydrophobicContact CG2-CB 3.78Å; R168-A174 HydrophobicContact CG-CB 4.46Å; R168-A174 WeakPolarHBondContact CG-O 3.46Å; R168-A174 PolarHBondContact NE-O 3Å; R171-A174 HydrophobicContact CB-CB 4.3Å; R171-A174 HydrophobicContact CG-CB 4.45Å; R171-A174 VanDerWaalsContact O-CB 3.22Å; R171-A174 WeakPolarHBondContact O-CB 3.27Å; R171-A174 PolarHBondContact O-N 2.86Å; R171-A174 VanDerWaalsContact O-N 3.13Å; N172-A174 VanDerWaalsContact C-N 3.27Å; N172-A174 PolarHBondContact O-N 3.42Å
175	L	95	Very high	95.8	Very high	5 Å²	5	66.2 Å²	66.2	3%	0.026	36%	0.358	C	S	.	.	S	Bend	trans	66	116.3	177	-55.6	164.1	0	0	0	113.9	L142 P146 A147 A150 V164 I167 R168 Q179 V180 L183	L142-L175 PolarHBondContact O-N 2.96Å; P146-L175 HydrophobicContact CB-CD2 3.74Å; P146-L175 HydrophobicContact CB-CG 3.92Å; A147-L175 HydrophobicContact CB-CD2 3.97Å; A150-L175 HydrophobicContact CB-CD1 4.42Å; V164-L175 HydrophobicContact CB-CD1 4.33Å; V164-L175 HydrophobicContact CG1-CD1 4.18Å; V164-L175 HydrophobicContact CG2-CD1 3.93Å; I167-L175 HydrophobicContact CD1-CD1 4.43Å; R168-L175 PolarHBondContact NH2-O 2.84Å; L175-Q179 HydrophobicContact CD2-CB 4.15Å; L175-V180 HydrophobicContact CB-CG2 4.05Å; L175-L183 HydrophobicContact CD1-CD1 3.99Å; L175-L183 HydrophobicContact CD2-CD1 4.15Å
176	N	94	Very high	95.7	Very high	74 Å²	74	61 Å²	61	40%	0.396	33%	0.333	S	S	.	.			trans	-79.5	169.9	171.4	70.6	38.6	0	0	0	111.9	R178 Q179 V180	N176-R178 VanDerWaalsContact C-N 3.28Å; N176-R178 PolarHBondContact O-N 3.44Å; N176-R178 WeakPolarHBondContact OD1-CB 3.48Å; N176-R178 PolarHBondContact OD1-N 3.08Å; N176-Q179 PolarHBondContact O-N 3.49Å; N176-Q179 VanDerWaalsContact O-N 3.14Å; N176-Q179 WeakPolarHBondContact OD1-CG 3.23Å; N176-Q179 PolarHBondContact OD1-N 3.1Å; N176-V180 WeakPolarHBondContact O-CG2 3.32Å; N176-V180 PolarHBondContact O-N 3Å
177	A	94.2	Very high	95.6	Very high	86 Å²	86	65 Å²	65	71%	0.711	35%	0.351	S	S	*	.	H	α-helix	trans	-57.8	-36.9	-177.9	0	0	0	0	0	113.6	V180 Q181	A177-V180 PolarHBondContact O-N 2.83Å; A177-Q181 WeakPolarHBondContact O-CB 3.35Å; A177-Q181 PolarHBondContact O-N 2.88Å
178	R	94.1	Very high	95.4	Very high	172 Å²	172	68.3 Å²	68.3	65%	0.649	37%	0.372	S	S	*	.	H	α-helix	trans	-67	-38.9	178.7	-162.1	-178.1	-173.3	-168.1	9.6	111.6	G107 N176 Q181 Y182	G107-R178 WeakPolarHBondContact O-CD 3.14Å; G107-R178 PolarHBondContact O-NH1 3.1Å; N176-R178 VanDerWaalsContact C-N 3.28Å; N176-R178 PolarHBondContact O-N 3.44Å; N176-R178 WeakPolarHBondContact OD1-CB 3.48Å; N176-R178 PolarHBondContact OD1-N 3.08Å; R178-Q181 PolarHBondContact O-N 2.85Å; R178-Y182 PolarHBondContact O-N 3.5Å
179	Q	95.4	Very high	95.2	Very high	10 Å²	10	70.4 Å²	70.4	5%	0.047	38%	0.384	C	S	.	.	H	α-helix	trans	-69.2	-41.3	175.5	-72	165.7	-27.9	0	0	111.8	G143 L175 N176 Q181 Y182 L183	G143-Q179 VanDerWaalsContact C-NE2 3.27Å; L175-Q179 HydrophobicContact CD2-CB 4.15Å; N176-Q179 PolarHBondContact O-N 3.49Å; N176-Q179 VanDerWaalsContact O-N 3.14Å; N176-Q179 WeakPolarHBondContact OD1-CG 3.23Å; N176-Q179 PolarHBondContact OD1-N 3.1Å; Q179-Q181 VanDerWaalsContact C-N 3.3Å; Q179-Q181 PolarHBondContact O-N 2.62Å; Q179-Y182 WeakPolarHBondContact O-CB 3.42Å; Q179-Y182 PolarHBondContact O-N 3.36Å; Q179-L183 VanDerWaalsContact O-CG 3.3Å; Q179-L183 WeakPolarHBondContact O-CG 3.41Å; Q179-L183 PolarHBondContact O-N 2.98Å
180	V	96.6	Very high	94.9	Very high	32 Å²	32	74.7 Å²	74.7	19%	0.194	38%	0.384	C	S	.	.	H	α-helix	trans	-61.9	-41	173.5	175.6	0	0	0	0	110.8	V164 L175 N176 A177 Y182 L183 K184	V164-V180 HydrophobicContact CG1-CG2 4.18Å; V164-V180 HydrophobicContact CG2-CG2 4.28Å; L175-V180 HydrophobicContact CB-CG2 4.05Å; N176-V180 WeakPolarHBondContact O-CG2 3.32Å; N176-V180 PolarHBondContact O-N 3Å; A177-V180 PolarHBondContact O-N 2.83Å; V180-Y182 VanDerWaalsContact C-N 3.35Å; V180-Y182 PolarHBondContact O-N 2.97Å; V180-L183 PolarHBondContact O-N 3.22Å; V180-K184 PolarHBondContact O-N 3.21Å
181	Q	96.9	Very high	94.9	Very high	98 Å²	98	72.8 Å²	72.8	46%	0.458	37%	0.372	S	S	.	.	H	α-helix	trans	-63.8	-38.7	175.8	-175.4	58.9	39.7	0	0	112.4	A177 R178 Q179 N185	A177-Q181 WeakPolarHBondContact O-CB 3.35Å; A177-Q181 PolarHBondContact O-N 2.88Å; R178-Q181 PolarHBondContact O-N 2.85Å; Q179-Q181 VanDerWaalsContact C-N 3.3Å; Q179-Q181 PolarHBondContact O-N 2.62Å; Q181-N185 PolarHBondContact NE2-ND2 2.81Å; Q181-N185 PolarHBondContact O-N 2.78Å
182	Y	96.7	Very high	94.7	Very high	45 Å²	45	73 Å²	73	18%	0.176	37%	0.374	C	S	.	.	H	α-helix	trans	-60.2	-48.7	171	161.9	-101.4	0	0	0	111.5	P109 P110 R178 Q179 V180 K184 N185 F186	P109-Y182 HydrophobicContact CB-CD2 3.38Å; P109-Y182 HydrophobicContact CB-CE2 3.72Å; P109-Y182 HydrophobicContact CB-CG 3.86Å; P110-Y182 HydrophobicContact CG-CE1 4.16Å; R178-Y182 PolarHBondContact O-N 3.5Å; Q179-Y182 WeakPolarHBondContact O-CB 3.42Å; Q179-Y182 PolarHBondContact O-N 3.36Å; V180-Y182 VanDerWaalsContact C-N 3.35Å; V180-Y182 PolarHBondContact O-N 2.97Å; Y182-K184 VanDerWaalsContact C-N 3.3Å; Y182-K184 PolarHBondContact O-N 2.95Å; Y182-N185 CarbonylContact O-C 3.58Å; Y182-N185 PolarHBondContact O-N 3.13Å; Y182-F186 HydrophobicContact CE1-CD2 4.39Å; Y182-F186 HydrophobicContact CE2-CD2 4.47Å; Y182-F186 AromaticContact CZ-CD2 3.84Å; Y182-F186 PolarHBondContact O-N 2.99Å; Y182-F186 WeakPolarHBondContact OH-CD2 3.14Å
183	L	97.5	Very high	94.2	Very high	1 Å²	1	74 Å²	74	1%	0.005	37%	0.367	C	S	.	.	H	α-helix	trans	-63.1	-35.3	-179.4	-68.4	167.5	0	0	0	112.6	A150 A151 I154 V164 L175 Q179 V180 N185 F186	A150-L183 HydrophobicContact CB-CD1 3.49Å; A150-L183 VanDerWaalsContact CB-CD1 3.49Å; A150-L183 HydrophobicContact CB-CD2 3.61Å; A150-L183 HydrophobicContact CB-CG 4.2Å; A151-L183 HydrophobicContact CB-CD2 4.34Å; I154-L183 HydrophobicContact CD1-CB 4.04Å; I154-L183 HydrophobicContact CD1-CD2 3.87Å; V164-L183 HydrophobicContact CG2-CD1 3.9Å; L175-L183 HydrophobicContact CD1-CD1 3.99Å; L175-L183 HydrophobicContact CD2-CD1 4.15Å; Q179-L183 VanDerWaalsContact O-CG 3.3Å; Q179-L183 WeakPolarHBondContact O-CG 3.41Å; Q179-L183 PolarHBondContact O-N 2.98Å; V180-L183 PolarHBondContact O-N 3.22Å; L183-N185 PolarHBondContact O-N 3Å; L183-F186 WeakPolarHBondContact O-CB 3.23Å; L183-F186 PolarHBondContact O-N 3.34Å; L183-F186 VanDerWaalsContact O-N 3.17Å
184	K	97.5	Very high	93.6	Very high	109 Å²	109	77.2 Å²	77.2	47%	0.474	36%	0.364	S	S	.	.	H	α-helix	trans	-59.8	-34.7	172.9	-176.4	177	-179	179.6	0	112.6	Y160 V180 Y182	Y160-K184 HydrophobicContact CD1-CG 4.43Å; Y160-K184 HydrophobicContact CD2-CB 4.02Å; Y160-K184 HydrophobicContact CE1-CB 4.4Å; Y160-K184 HydrophobicContact CE1-CG 3.92Å; Y160-K184 HydrophobicContact CE2-CB 3.85Å; Y160-K184 HydrophobicContact CE2-CD 4.37Å; Y160-K184 HydrophobicContact CE2-CG 4Å; Y160-K184 HydrophobicContact CG-CB 4.36Å; V180-K184 PolarHBondContact O-N 3.21Å; Y182-K184 VanDerWaalsContact C-N 3.3Å; Y182-K184 PolarHBondContact O-N 2.95Å
185	N	97.2	Very high	92.9	Very high	97 Å²	97	77.9 Å²	77.9	52%	0.519	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	1.4	179.5	-65.9	-15.4	0	0	0	112.8	Q181 Y182 L183 H187	Q181-N185 PolarHBondContact NE2-ND2 2.81Å; Q181-N185 PolarHBondContact O-N 2.78Å; Y182-N185 CarbonylContact O-C 3.58Å; Y182-N185 PolarHBondContact O-N 3.13Å; L183-N185 PolarHBondContact O-N 3Å; N185-H187 PolarHBondContact O-CD2 3.02Å; N185-H187 VanDerWaalsContact O-CD2 3.28Å; N185-H187 PolarHBondContact O-N 3.18Å
186	F	97.1	Very high	91.1	Very high	22 Å²	22	84.1 Å²	84.1	10%	0.096	39%	0.394	C	S	.	.	P	Polyproline II helix	trans	-78	120.8	179.3	-176.9	-95.3	0	0	0	110	I115 F119 A151 I154 Y182 L183	I115-F186 HydrophobicContact CD1-CE2 4.31Å; I115-F186 HydrophobicContact CG2-CE2 4.12Å; I115-F186 HydrophobicContact CG2-CZ 4.24Å; F119-F186 AromaticContact CE2-CZ 3.99Å; F119-F186 HydrophobicContact CE2-CZ 3.99Å; F119-F186 HydrophobicContact CZ-CE1 4.36Å; F119-F186 AromaticContact CZ-CZ 3.78Å; F119-F186 HydrophobicContact CZ-CZ 3.78Å; A151-F186 HydrophobicContact CB-CE1 4.28Å; A151-F186 HydrophobicContact CB-CE2 4.22Å; A151-F186 HydrophobicContact CB-CZ 4.08Å; A151-F186 WeakPolarHBondContact O-CE1 3.46Å; I154-F186 HydrophobicContact CB-CD1 4.04Å; I154-F186 HydrophobicContact CB-CE1 4.42Å; I154-F186 HydrophobicContact CD1-CD1 4.44Å; I154-F186 HydrophobicContact CG2-CD1 3.77Å; I154-F186 HydrophobicContact CG2-CE1 4.35Å; Y182-F186 HydrophobicContact CE1-CD2 4.39Å; Y182-F186 HydrophobicContact CE2-CD2 4.47Å; Y182-F186 AromaticContact CZ-CD2 3.84Å; Y182-F186 PolarHBondContact O-N 2.99Å; Y182-F186 WeakPolarHBondContact OH-CD2 3.14Å; L183-F186 WeakPolarHBondContact O-CB 3.23Å; L183-F186 PolarHBondContact O-N 3.34Å; L183-F186 VanDerWaalsContact O-N 3.17Å
187	H	95.2	Very high	89.3	Confident	143 Å²	143	82.9 Å²	82.9	66%	0.662	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-103.8	120.3	-178.4	-65.7	-64.2	0	0	0	111.4	N185	N185-H187 PolarHBondContact O-CD2 3.02Å; N185-H187 VanDerWaalsContact O-CD2 3.28Å; N185-H187 PolarHBondContact O-N 3.18Å
188	P	94	Very high	87.3	Confident	69 Å²	69	83.1 Å²	83.1	45%	0.448	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-68.5	137.4	-179.2	28.3	-34.8	0	0	0	111.5	E155	E155-P188 WeakPolarHBondContact OE2-CA 3.4Å
189	K	93.9	Very high	85	Confident	142 Å²	142	78.8 Å²	78.8	62%	0.617	37%	0.374	S	S	*	.			trans	-110.5	12.2	-179.9	-56.6	-179.7	-179.4	174.8	0	113.4	E155 R191	E155-K189 VanDerWaalsContact OE1-C 3.26Å; E155-K189 WeakPolarHBondContact OE1-CA 3.49Å; E155-K189 PolarHBondContact OE1-N 3.22Å; E155-K189 PolarHBondContact OE2-N 3.16Å; E155-K189 VanDerWaalsContact OE2-N 3.09Å; K189-R191 VanDerWaalsContact C-N 3.26Å; K189-R191 HydrophobicContact CB-CG 4.22Å; K189-R191 PolarHBondContact O-N 2.8Å
190	K	89.4	Confident	82.5	Confident	157 Å²	157	83.5 Å²	83.5	68%	0.683	40%	0.396	S	S	*	.	S	Bend	trans	59.8	29.2	-177.8	-54.6	-179.6	179.7	178.1	0	114.3	E155 L192 R193	E155-K190 WeakPolarHBondContact OE1-CA 3.35Å; E155-K190 PolarHBondContact OE1-N 3.44Å; K190-L192 VanDerWaalsContact C-N 3.29Å; K190-L192 PolarHBondContact O-N 3.46Å; K190-R193 HydrophobicContact CB-CB 4.33Å; K190-R193 VanDerWaalsContact O-CB 3.27Å; K190-R193 WeakPolarHBondContact O-CB 3.06Å; K190-R193 WeakPolarHBondContact O-CD 3.44Å; K190-R193 WeakPolarHBondContact O-CG 3.44Å; K190-R193 PolarHBondContact O-N 2.93Å
191	R	92.6	Very high	80.2	Confident	57 Å²	57	91.6 Å²	91.6	22%	0.215	42%	0.423	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-32.1	177.3	-69.6	161.9	-74.1	-174.9	-9.4	112.2	I115 F119 E155 K189	I115-R191 VanDerWaalsContact CG2-NH1 3.26Å; F119-R191 HydrophobicContact CD2-CB 3.93Å; F119-R191 HydrophobicContact CD2-CG 4.49Å; E155-R191 HydrophobicContact CG-CB 4.41Å; E155-R191 WeakPolarHBondContact OE1-CB 3.19Å; E155-R191 IonicContact OE1-CZ 2.82Å; E155-R191 PolarHBondContact OE1-N 3.12Å; E155-R191 IonicContact OE1-NE 2.87Å; E155-R191 PolarHBondContact OE1-NE 2.84Å; E155-R191 IonicContact OE1-NH2 3.99Å; E155-R191 IonicContact OE2-CZ 2.62Å; E155-R191 IonicContact OE2-NE 2.78Å; E155-R191 PolarHBondContact OE2-NE 3.02Å; E155-R191 IonicContact OE2-NH2 3.61Å; E155-R191 PolarHBondContact OE2-NH2 3.42Å; K189-R191 VanDerWaalsContact C-N 3.26Å; K189-R191 HydrophobicContact CB-CG 4.22Å; K189-R191 PolarHBondContact O-N 2.8Å
192	L	90.9	Very high	77.5	Confident	6 Å²	6	92 Å²	92	3%	0.031	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	19.1	176.3	-61	179.7	0	0	0	113.7	F119 I122 A152 E155 L156 K190 H194 I195	F119-L192 HydrophobicContact CB-CD2 4Å; F119-L192 HydrophobicContact CB-CG 4.4Å; F119-L192 HydrophobicContact CD1-CD1 4.23Å; F119-L192 HydrophobicContact CE1-CD1 4.48Å; F119-L192 HydrophobicContact CG-CD1 4.48Å; F119-L192 HydrophobicContact CG-CD2 4.42Å; F119-L192 HydrophobicContact CG-CG 4.33Å; F119-L192 WeakPolarHBondContact O-CD2 3.34Å; I122-L192 HydrophobicContact CB-CD2 4.06Å; I122-L192 HydrophobicContact CD1-CD1 4.03Å; I122-L192 HydrophobicContact CG2-CD1 4.2Å; I122-L192 HydrophobicContact CG2-CD2 3.94Å; A152-L192 HydrophobicContact CB-CD1 4.35Å; E155-L192 HydrophobicContact CB-CD1 4.16Å; E155-L192 HydrophobicContact CG-CB 4.16Å; E155-L192 HydrophobicContact CG-CD1 4.11Å; E155-L192 HydrophobicContact CG-CG 3.93Å; L156-L192 HydrophobicContact CD1-CD1 4.41Å; L156-L192 HydrophobicContact CD2-CB 3.66Å; L156-L192 HydrophobicContact CD2-CD1 4.08Å; L156-L192 HydrophobicContact CG-CB 4.32Å; L156-L192 HydrophobicContact CG-CD1 3.93Å; K190-L192 VanDerWaalsContact C-N 3.29Å; K190-L192 PolarHBondContact O-N 3.46Å; L192-H194 PolarHBondContact O-N 3.19Å; L192-I195 HydrophobicContact CB-CG1 4.31Å; L192-I195 VanDerWaalsContact O-CG1 3.26Å; L192-I195 WeakPolarHBondContact O-CG1 3.47Å; L192-I195 PolarHBondContact O-N 3Å
193	R	82	Confident	74.8	Confident	164 Å²	164	97.5 Å²	97.5	62%	0.619	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-26.6	-177.4	67.4	-175.7	177.4	170.1	-3	114.6	K190	K190-R193 HydrophobicContact CB-CB 4.33Å; K190-R193 VanDerWaalsContact O-CB 3.27Å; K190-R193 WeakPolarHBondContact O-CB 3.06Å; K190-R193 WeakPolarHBondContact O-CD 3.44Å; K190-R193 WeakPolarHBondContact O-CG 3.44Å; K190-R193 PolarHBondContact O-N 2.93Å
194	H	79.5	Confident	72.2	Confident	132 Å²	132	104.8 Å²	104.8	61%	0.611	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-3.7	-170.3	-65	-47.9	0	0	0	113.8	L192 K196	L192-H194 PolarHBondContact O-N 3.19Å; H194-K196 PolarHBondContact O-N 3.18Å
195	I	81.7	Confident	70	Confident	15 Å²	15	110.7 Å²	110.7	8%	0.077	54%	0.537	C	S	.	.			trans	-77.4	47.2	170.2	68.7	156.1	0	0	0	110.2	T50 A51 I122 T123 C126 L156 L192	T50-I195 WeakPolarHBondContact CG2-O 3.05Å; T50-I195 WeakPolarHBondContact OG1-CD1 3.39Å; T50-I195 PolarHBondContact OG1-O 3.49Å; A51-I195 HydrophobicContact CB-CD1 3.95Å; I122-I195 HydrophobicContact CG2-CD1 4.36Å; T123-I195 HydrophobicContact CG2-CG2 4.33Å; C126-I195 HydrophobicContact CB-CB 4.05Å; C126-I195 HydrophobicContact CB-CG2 3.78Å; L156-I195 HydrophobicContact CD1-CD1 4.35Å; L156-I195 HydrophobicContact CD2-CD1 3.5Å; L156-I195 HydrophobicContact CD2-CG1 3.81Å; L192-I195 HydrophobicContact CB-CG1 4.31Å; L192-I195 VanDerWaalsContact O-CG1 3.26Å; L192-I195 WeakPolarHBondContact O-CG1 3.47Å; L192-I195 PolarHBondContact O-N 3Å
196	K	57.8	Low	68.6	Low	135 Å²	135	111.4 Å²	111.4	59%	0.587	54%	0.537	S	S	*	.			trans	-64.8	147.5	178.9	-76.1	-154.1	177.5	-171.5	0	110.7	H194 Q198 E200	H194-K196 PolarHBondContact O-N 3.18Å; K196-Q198 PolarHBondContact O-N 3.34Å; K196-E200 WeakPolarHBondContact CD-OE2 3.38Å; K196-E200 IonicContact NZ-OE1 3.58Å; K196-E200 IonicContact NZ-OE2 2.84Å; K196-E200 PolarHBondContact NZ-OE2 2.65Å
197	S	54.9	Low	67.1	Low	49 Å²	49	116.1 Å²	116.1	34%	0.343	56%	0.561	S	S	.	*			trans	-47.4	127.3	176.7	-162.3	0	0	0	0	111.6	S199 E200	S197-S199 PolarHBondContact O-N 2.87Å; S197-S199 VanDerWaalsContact OG-CB 3.26Å; S197-S199 WeakPolarHBondContact OG-CB 3.42Å; S197-S199 PolarHBondContact OG-N 3.48Å; S197-S199 PolarHBondContact OG-OG 2.82Å; S197-E200 PolarHBondContact O-N 2.64Å
198	Q	51.6	Low	65.5	Low	90 Å²	90	114.6 Å²	114.6	42%	0.421	56%	0.555	S	S	.	*	H	α-helix	trans	-54.4	-18.2	165.7	-76.4	-119.4	-16.3	0	0	111.8	P130 K196 E200 R201 C202	P130-Q198 HydrophobicContact CG-CG 4.43Å; K196-Q198 PolarHBondContact O-N 3.34Å; Q198-E200 PolarHBondContact O-N 3.11Å; Q198-R201 PolarHBondContact O-N 2.77Å; Q198-C202 PolarHBondContact O-N 3.27Å
199	S	47.4	Very low	63.9	Low	81 Å²	81	117.3 Å²	117.3	57%	0.566	56%	0.561	S	S	*	*	H	α-helix	trans	-54.3	-32.5	167.8	-40.2	0	0	0	0	113.1	S197	S197-S199 PolarHBondContact O-N 2.87Å; S197-S199 VanDerWaalsContact OG-CB 3.26Å; S197-S199 WeakPolarHBondContact OG-CB 3.42Å; S197-S199 PolarHBondContact OG-N 3.48Å; S197-S199 PolarHBondContact OG-OG 2.82Å
200	E	43.2	Very low	62	Low	110 Å²	110	115.8 Å²	115.8	51%	0.514	56%	0.558	S	S	.	*	H	α-helix	trans	-80.6	-23	175	-67.7	-170.9	-168.2	0	0	112.5	K196 S197 Q198	K196-E200 WeakPolarHBondContact CD-OE2 3.38Å; K196-E200 IonicContact NZ-OE1 3.58Å; K196-E200 IonicContact NZ-OE2 2.84Å; K196-E200 PolarHBondContact NZ-OE2 2.65Å; S197-E200 PolarHBondContact O-N 2.64Å; Q198-E200 PolarHBondContact O-N 3.11Å
201	R	46.8	Very low	60.1	Low	201 Å²	201	113 Å²	113	76%	0.758	55%	0.549	S	S	*	.	H	α-helix	trans	-84.1	-24.2	179.6	-151.1	175.6	179.5	-175.7	-1.2	112.5	Q198 Q203	Q198-R201 PolarHBondContact O-N 2.77Å; R201-Q203 VanDerWaalsContact C-N 3.3Å; R201-Q203 PolarHBondContact O-N 3.06Å
202	C	40	Very low	57.8	Low	106 Å²	106	117 Å²	117	72%	0.716	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	0.4	175.8	-119.2	0	0	0	0	114.5	Q198	Q198-C202 PolarHBondContact O-N 3.27Å
203	Q	41.7	Very low	55.3	Low	162 Å²	162	125.5 Å²	125.5	76%	0.757	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98	15	176.5	-72.7	-172.3	-9.4	0	0	114.1	R201	R201-Q203 VanDerWaalsContact C-N 3.3Å; R201-Q203 PolarHBondContact O-N 3.06Å
204	L	41.3	Very low	53.1	Low	154 Å²	154	122.3 Å²	122.3	81%	0.806	62%	0.615	S	S	*	*			trans	-125.4	22.4	178.6	-78.8	172.1	0	0	0	114.8
205	L	51	Low	50.7	Low	233 Å²	233	121.5 Å²	121.5	100%	1.22	62%	0.615	S	S	*	*			trans	-130	0	161.9	-66.9	175.6	0	0	0	108.9

Retrieved 205 of 205 residues in 246.7 ms (Link to these results)

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