A0A5K4F629_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F629, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 196 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	39.2	Very low	242 Å²	242	164 Å²	164	100%	1.192	85%	0.846	S	S	*	*				0	121.2	0	-114.8	115.2	157.6	0	0	107.4
2	N	39.5	Very low	39.2	Very low	150 Å²	150	166.3 Å²	166.3	80%	0.802	85%	0.85	S	S	*	*			trans	52.6	94.6	177.8	-77.4	6.4	0	0	0	120.5
3	P	39.6	Very low	38.9	Very low	118 Å²	118	161.3 Å²	161.3	77%	0.766	83%	0.833	S	S	*	*			trans	-90.7	116.1	132.7	32.1	-20.1	0	0	0	109.6
4	S	42.5	Very low	38.6	Very low	100 Å²	100	156.7 Å²	156.7	70%	0.699	83%	0.831	S	S	*	*			trans	163.5	109.4	157.7	-76.1	0	0	0	0	108.1
5	D	44.4	Very low	38.1	Very low	154 Å²	154	157.6 Å²	157.6	82%	0.824	83%	0.828	S	S	*	*			trans	178.4	51.3	144.1	-89	-42.7	0	0	0	108.6	K7	D5-K7 PolarHBondContact O-N 3.35Å; D5-K7 VanDerWaalsContact O-N 3.12Å
6	E	44.8	Very low	37.7	Very low	197 Å²	197	155.9 Å²	155.9	92%	0.921	83%	0.829	S	S	*	*			trans	-77.6	87.7	156.7	-76.5	174	137	0	0	106.2	E8	E6-E8 VanDerWaalsContact C-N 3.32Å; E6-E8 PolarHBondContact O-N 3.35Å
7	K	41.8	Very low	37.8	Very low	190 Å²	190	154.1 Å²	154.1	83%	0.826	83%	0.825	S	S	*	*			trans	-64.3	96.7	167.6	-98.1	-177.9	174.5	-179.7	0	107.9	D5 T9	D5-K7 PolarHBondContact O-N 3.35Å; D5-K7 VanDerWaalsContact O-N 3.12Å; K7-T9 PolarHBondContact O-N 3.16Å
8	E	36.1	Very low	38.2	Very low	187 Å²	187	152.4 Å²	152.4	87%	0.874	83%	0.827	S	S	*	*			trans	-52.6	109.1	157.8	-74	-179.2	128.9	0	0	108.2	E6 K10	E6-E8 VanDerWaalsContact C-N 3.32Å; E6-E8 PolarHBondContact O-N 3.35Å; E8-K10 VanDerWaalsContact C-N 3.29Å; E8-K10 PolarHBondContact O-N 3.26Å
9	T	35.4	Very low	39.1	Very low	138 Å²	138	148.1 Å²	148.1	85%	0.847	80%	0.798	S	S	*	*			trans	-67	94.9	164.3	44.9	0	0	0	0	107	K7 D11	K7-T9 PolarHBondContact O-N 3.16Å; T9-D11 PolarHBondContact O-N 3.41Å; T9-D11 VanDerWaalsContact O-N 3.1Å
10	K	37.3	Very low	40.1	Very low	195 Å²	195	147.5 Å²	147.5	85%	0.848	79%	0.79	S	S	*	*			trans	-50.2	114.8	167.6	-112	178.1	174.2	-178.7	0	108.3	E8 E12	E8-K10 VanDerWaalsContact C-N 3.29Å; E8-K10 PolarHBondContact O-N 3.26Å; K10-E12 PolarHBondContact O-N 3.41Å
11	D	34.3	Very low	41.1	Very low	133 Å²	133	147.3 Å²	147.3	71%	0.711	79%	0.789	S	S	*	*			trans	-52.7	105.6	160.2	-173.5	-95	0	0	0	106.8	T9 T13	T9-D11 PolarHBondContact O-N 3.41Å; T9-D11 VanDerWaalsContact O-N 3.1Å; D11-T13 PolarHBondContact O-N 2.81Å; D11-T13 PolarHBondContact O-OG1 2.93Å; D11-T13 PolarHBondContact OD1-OG1 3.24Å; D11-T13 VanDerWaalsContact OD1-OG1 3.13Å
12	E	40	Very low	42.3	Very low	191 Å²	191	140.4 Å²	140.4	89%	0.893	76%	0.764	S	S	*	*			trans	-76.2	77.5	178.6	-133	179.6	140.6	0	0	107.1	K10 A14	K10-E12 PolarHBondContact O-N 3.41Å; E12-A14 VanDerWaalsContact C-N 3.35Å; E12-A14 PolarHBondContact O-N 3.1Å
13	T	35	Very low	43.7	Very low	102 Å²	102	135.8 Å²	135.8	63%	0.626	74%	0.738	S	S	*	*			trans	-61.6	99.7	171	-31.6	0	0	0	0	106.8	D11 Q15	D11-T13 PolarHBondContact O-N 2.81Å; D11-T13 PolarHBondContact O-OG1 2.93Å; D11-T13 PolarHBondContact OD1-OG1 3.24Å; D11-T13 VanDerWaalsContact OD1-OG1 3.13Å; T13-Q15 PolarHBondContact O-N 2.74Å
14	A	35.3	Very low	45.7	Very low	97 Å²	97	133.6 Å²	133.6	80%	0.802	72%	0.719	S	S	*	*			trans	-58.2	103.4	-178.7	0	0	0	0	0	109.8	E12	E12-A14 VanDerWaalsContact C-N 3.35Å; E12-A14 PolarHBondContact O-N 3.1Å
15	Q	30.3	Very low	47.9	Very low	170 Å²	170	131 Å²	131	79%	0.794	70%	0.697	S	S	*	*			trans	-67.5	147.2	169.2	-69.1	-172	17.5	0	0	109.5	T13 V17	T13-Q15 PolarHBondContact O-N 2.74Å; Q15-V17 PolarHBondContact O-N 3.32Å
16	P	31.9	Very low	50.2	Low	130 Å²	130	131.2 Å²	131.2	84%	0.844	69%	0.691	S	S	*	*			trans	-70.3	100.2	-177.2	27.7	-32.4	0	0	0	110.1
17	V	39.6	Very low	52.4	Low	126 Å²	126	128.4 Å²	128.4	76%	0.764	68%	0.678	S	S	*	*			trans	-62.5	130.9	163.6	-93.5	0	0	0	0	108.8	Q15 R19	Q15-V17 PolarHBondContact O-N 3.32Å; V17-R19 PolarHBondContact O-N 3.48Å
18	S	44.5	Very low	54.9	Low	123 Å²	123	123.4 Å²	123.4	86%	0.86	67%	0.666	S	S	*	*			trans	-53.2	101.4	173.9	-57.2	0	0	0	0	109.8
19	R	55.3	Low	57.6	Low	71 Å²	71	117.4 Å²	117.4	27%	0.268	64%	0.643	S	S	.	*			trans	-64.8	138.4	-178.7	-66.3	-170.7	-178.8	-153.9	1.2	109.7	V17 Q23 Q98 T99 S101	V17-R19 PolarHBondContact O-N 3.48Å; R19-Q23 HydrophobicContact CB-CB 4.46Å; R19-Q98 PolarHBondContact NH1-O 2.94Å; R19-Q98 PolarHBondContact NH2-O 3.47Å; R19-T99 PolarHBondContact NH2-O 3.22Å; R19-S101 PolarHBondContact NH1-O 3.3Å; R19-S101 PolarHBondContact NH2-O 3.41Å
20	Q	60	Low	60.5	Low	135 Å²	135	110.9 Å²	110.9	63%	0.631	60%	0.603	S	S	*	*			trans	-70.1	148.2	168.7	-64.5	-177.8	5	0	0	109.1	S22 Q23	Q20-S22 PolarHBondContact O-N 3.08Å; Q20-Q23 WeakPolarHBondContact O-CB 3.45Å; Q20-Q23 PolarHBondContact O-N 2.89Å
21	D	60.9	Low	63.3	Low	144 Å²	144	106.1 Å²	106.1	77%	0.77	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-53.7	-29	-178.5	-68.2	-35.7	0	0	0	113.6	Q23 I24	D21-Q23 PolarHBondContact O-N 3.21Å; D21-I24 PolarHBondContact O-N 3.46Å
22	S	59.4	Low	66.2	Low	98 Å²	98	103.5 Å²	103.5	69%	0.685	57%	0.574	S	S	*	*	G	3₁₀ helix	trans	-66	-18.5	176.4	54.8	0	0	0	0	114.1	Q20	Q20-S22 PolarHBondContact O-N 3.08Å
23	Q	70.4	Confident	68.9	Low	53 Å²	53	95.1 Å²	95.1	25%	0.248	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-96.8	-5.7	-178.1	-62.5	171.7	-28.4	0	0	113.1	R19 Q20 D21 T103	R19-Q23 HydrophobicContact CB-CB 4.46Å; Q20-Q23 WeakPolarHBondContact O-CB 3.45Å; Q20-Q23 PolarHBondContact O-N 2.89Å; D21-Q23 PolarHBondContact O-N 3.21Å; Q23-T103 HydrophobicContact CB-CG2 3.85Å; Q23-T103 HydrophobicContact CG-CG2 4.03Å
24	I	81.1	Confident	71.8	Confident	71 Å²	71	91 Å²	91	36%	0.364	51%	0.508	S	S	.	.	S	Bend	trans	-86.5	128.5	-179.3	-56.8	177	0	0	0	109.1	D21 K26 Q98	D21-I24 PolarHBondContact O-N 3.46Å; I24-K26 PolarHBondContact O-N 2.91Å; I24-Q98 HydrophobicContact CG2-CG 4.47Å
25	L	89	Confident	74.6	Confident	47 Å²	47	88.6 Å²	88.6	25%	0.246	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-63.1	130.5	171.3	-74.9	176.4	0	0	0	110.1	E27 I30 L57 I97 S101	L25-E27 PolarHBondContact O-N 3.02Å; L25-I30 HydrophobicContact CB-CD1 3.98Å; L25-I30 HydrophobicContact CB-CG1 3.97Å; L25-L57 HydrophobicContact CD1-CD1 3.69Å; L25-L57 HydrophobicContact CD1-CD2 4.02Å; L25-L57 HydrophobicContact CD1-CG 4.49Å; L25-L57 HydrophobicContact CD2-CD2 4.4Å; L25-I97 HydrophobicContact CD1-CG2 3.71Å; L25-S101 WeakPolarHBondContact CD1-OG 3.31Å
26	K	91.6	Very high	77.7	Confident	157 Å²	157	84 Å²	84	68%	0.683	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-57.5	133.8	176.3	-65.1	-177.6	-179.3	179.9	0	110	I24 S28 V29 I30	I24-K26 PolarHBondContact O-N 2.91Å; K26-S28 PolarHBondContact O-N 2.83Å; K26-S28 VanDerWaalsContact O-N 3.12Å; K26-V29 HydrophobicContact CB-CG2 4.17Å; K26-V29 WeakPolarHBondContact O-CA 3.3Å; K26-V29 WeakPolarHBondContact O-CB 3.49Å; K26-V29 PolarHBondContact O-N 3.01Å; K26-I30 PolarHBondContact O-N 2.8Å
27	E	91.9	Very high	80.7	Confident	139 Å²	139	79.4 Å²	79.4	65%	0.65	44%	0.437	S	S	*	.	H	α-helix	trans	-53.4	-36.4	178.7	-168.7	-176.2	165.5	0	0	112.4	L25 V29 I30 K31	L25-E27 PolarHBondContact O-N 3.02Å; E27-V29 VanDerWaalsContact C-N 3.3Å; E27-V29 PolarHBondContact O-N 3.19Å; E27-I30 PolarHBondContact O-N 2.66Å; E27-K31 VanDerWaalsContact O-CB 3.29Å; E27-K31 WeakPolarHBondContact O-CB 3.29Å; E27-K31 PolarHBondContact O-N 2.93Å
28	S	94.1	Very high	83.3	Confident	84 Å²	84	74.2 Å²	74.2	59%	0.587	41%	0.406	S	S	*	.	H	α-helix	trans	-61.9	-34.4	175.9	58.5	0	0	0	0	113.8	K26 S32	K26-S28 PolarHBondContact O-N 2.83Å; K26-S28 VanDerWaalsContact O-N 3.12Å; S28-S32 VanDerWaalsContact O-CB 3.31Å; S28-S32 WeakPolarHBondContact O-CB 3.43Å; S28-S32 PolarHBondContact O-N 2.8Å
29	V	93.5	Very high	85.6	Confident	62 Å²	62	71.2 Å²	71.2	38%	0.376	39%	0.385	S	S	.	.	H	α-helix	trans	-71.3	-47.4	176	176.6	0	0	0	0	109.7	K26 E27 K31 S32 I33	K26-V29 HydrophobicContact CB-CG2 4.17Å; K26-V29 WeakPolarHBondContact O-CA 3.3Å; K26-V29 WeakPolarHBondContact O-CB 3.49Å; K26-V29 PolarHBondContact O-N 3.01Å; E27-V29 VanDerWaalsContact C-N 3.3Å; E27-V29 PolarHBondContact O-N 3.19Å; V29-K31 PolarHBondContact O-N 2.95Å; V29-S32 PolarHBondContact O-N 2.82Å; V29-I33 HydrophobicContact CG1-CD1 4.11Å; V29-I33 WeakPolarHBondContact O-CG1 3.4Å; V29-I33 PolarHBondContact O-N 2.67Å
30	I	95.8	Very high	87.1	Confident	1 Å²	1	72.4 Å²	72.4	1%	0.005	41%	0.41	C	S	.	.	H	α-helix	trans	-58.8	-50.7	178.6	-60.3	176.8	0	0	0	109.9	L25 K26 E27 S32 I33 Y34 F93 T94 I97 Q98	L25-I30 HydrophobicContact CB-CD1 3.98Å; L25-I30 HydrophobicContact CB-CG1 3.97Å; K26-I30 PolarHBondContact O-N 2.8Å; E27-I30 PolarHBondContact O-N 2.66Å; I30-S32 VanDerWaalsContact C-N 3.32Å; I30-S32 PolarHBondContact O-N 3.43Å; I30-I33 PolarHBondContact O-N 3Å; I30-I33 VanDerWaalsContact O-N 3.13Å; I30-Y34 WeakPolarHBondContact O-CB 3.39Å; I30-Y34 PolarHBondContact O-N 3.28Å; I30-F93 HydrophobicContact CG2-CD1 3.77Å; I30-F93 HydrophobicContact CG2-CE1 3.77Å; I30-T94 HydrophobicContact CD1-CG2 3.99Å; I30-T94 HydrophobicContact CG2-CG2 4.39Å; I30-I97 HydrophobicContact CG1-CG2 4.27Å; I30-Q98 HydrophobicContact CD1-CG 3.75Å
31	K	95.5	Very high	88.5	Confident	95 Å²	95	75.7 Å²	75.7	41%	0.413	42%	0.422	S	S	.	.	H	α-helix	trans	-59.1	-42	177.7	-173.6	179.5	-176.1	-59	0	112	E27 V29 I33 Y34 D35	E27-K31 VanDerWaalsContact O-CB 3.29Å; E27-K31 WeakPolarHBondContact O-CB 3.29Å; E27-K31 PolarHBondContact O-N 2.93Å; V29-K31 PolarHBondContact O-N 2.95Å; K31-I33 VanDerWaalsContact C-N 3.32Å; K31-I33 PolarHBondContact O-N 2.83Å; K31-Y34 PolarHBondContact O-N 2.87Å; K31-D35 IonicContact NZ-OD2 3.25Å; K31-D35 PolarHBondContact NZ-OD2 3.09Å; K31-D35 WeakPolarHBondContact O-CB 3.18Å; K31-D35 PolarHBondContact O-N 3.07Å
32	S	95.6	Very high	89.9	Confident	77 Å²	77	71.8 Å²	71.8	54%	0.538	41%	0.406	S	S	.	.	H	α-helix	trans	-62.1	-39.5	176.7	-175.9	0	0	0	0	112.3	S28 V29 I30 S36	S28-S32 VanDerWaalsContact O-CB 3.31Å; S28-S32 WeakPolarHBondContact O-CB 3.43Å; S28-S32 PolarHBondContact O-N 2.8Å; V29-S32 PolarHBondContact O-N 2.82Å; I30-S32 VanDerWaalsContact C-N 3.32Å; I30-S32 PolarHBondContact O-N 3.43Å; S32-S36 WeakPolarHBondContact O-CB 3.23Å; S32-S36 PolarHBondContact O-N 3.13Å
33	I	95.8	Very high	91.4	Very high	15 Å²	15	73.8 Å²	73.8	8%	0.077	40%	0.399	C	S	.	.	H	α-helix	trans	-70.5	-44.7	177	-62.2	167.8	0	0	0	110.1	V29 I30 K31 D35 S36 L37 C53 M56 L57 F93	V29-I33 HydrophobicContact CG1-CD1 4.11Å; V29-I33 WeakPolarHBondContact O-CG1 3.4Å; V29-I33 PolarHBondContact O-N 2.67Å; I30-I33 PolarHBondContact O-N 3Å; I30-I33 VanDerWaalsContact O-N 3.13Å; K31-I33 VanDerWaalsContact C-N 3.32Å; K31-I33 PolarHBondContact O-N 2.83Å; I33-D35 PolarHBondContact O-N 3.38Å; I33-S36 WeakPolarHBondContact O-CB 3.13Å; I33-S36 PolarHBondContact O-N 2.7Å; I33-S36 PolarHBondContact O-OG 3.4Å; I33-L37 HydrophobicContact CG2-CD1 3.77Å; I33-L37 HydrophobicContact CG2-CG 4.31Å; I33-L37 PolarHBondContact O-N 2.61Å; I33-C53 HydrophobicContact CG2-CB 4.27Å; I33-C53 WeakPolarHBondContact CG2-SG 3.5Å; I33-M56 HydrophobicContact CG1-CE 4.23Å; I33-M56 HydrophobicContact CG2-CE 4.05Å; I33-M56 HydrophobicContact CG2-SD 3.91Å; I33-L57 HydrophobicContact CD1-CD2 3.65Å; I33-L57 HydrophobicContact CD1-CG 4.06Å; I33-F93 HydrophobicContact CG2-CZ 4.24Å
34	Y	96.6	Very high	92.6	Very high	15 Å²	15	75 Å²	75	6%	0.059	40%	0.403	C	S	.	.	H	α-helix	trans	-54.6	-52.2	176	-178.9	-89.2	0	0	0	111.4	I30 K31 S36 L37 S38 R43 K44 V45 L88 L90 F93	I30-Y34 WeakPolarHBondContact O-CB 3.39Å; I30-Y34 PolarHBondContact O-N 3.28Å; K31-Y34 PolarHBondContact O-N 2.87Å; Y34-S36 PolarHBondContact O-N 3.23Å; Y34-L37 PolarHBondContact O-N 2.93Å; Y34-L37 VanDerWaalsContact O-N 3.13Å; Y34-S38 VanDerWaalsContact O-CB 3.28Å; Y34-S38 WeakPolarHBondContact O-CB 3.24Å; Y34-S38 PolarHBondContact O-N 2.87Å; Y34-R43 WeakPolarHBondContact CE1-O 3.41Å; Y34-R43 PolarHBondContact OH-O 3.13Å; Y34-K44 WeakPolarHBondContact OH-CA 3.44Å; Y34-V45 HydrophobicContact CD1-CG2 4.5Å; Y34-V45 HydrophobicContact CD2-CB 4.18Å; Y34-V45 HydrophobicContact CD2-CG2 3.49Å; Y34-V45 VanDerWaalsContact CD2-CG2 3.49Å; Y34-V45 HydrophobicContact CE2-CB 4.02Å; Y34-V45 HydrophobicContact CE2-CG2 3.63Å; Y34-V45 HydrophobicContact CG-CG2 3.98Å; Y34-V45 WeakPolarHBondContact O-CG2 3.37Å; Y34-L88 PolarHBondContact OH-O 3.41Å; Y34-L90 HydrophobicContact CD1-CD1 3.97Å; Y34-L90 HydrophobicContact CD2-CD1 4.03Å; Y34-L90 HydrophobicContact CE1-CB 4.44Å; Y34-L90 HydrophobicContact CE1-CD1 4.5Å; Y34-L90 HydrophobicContact CE2-CB 4.45Å; Y34-L90 HydrophobicContact CG-CD1 3.7Å; Y34-F93 HydrophobicContact CD2-CB 3.68Å; Y34-F93 AromaticContact CD2-CD1 3.67Å; Y34-F93 HydrophobicContact CD2-CD1 3.67Å; Y34-F93 AromaticContact CD2-CD2 3.9Å; Y34-F93 HydrophobicContact CD2-CD2 3.9Å; Y34-F93 HydrophobicContact CD2-CE1 4.19Å; Y34-F93 HydrophobicContact CD2-CE2 4.4Å; Y34-F93 AromaticContact CD2-CG 3.49Å; Y34-F93 HydrophobicContact CD2-CG 3.49Å; Y34-F93 VanDerWaalsContact CD2-CG 3.49Å; Y34-F93 HydrophobicContact CE2-CB 3.9Å; Y34-F93 HydrophobicContact CE2-CG 4.17Å; Y34-F93 HydrophobicContact CG-CD1 4.27Å; Y34-F93 HydrophobicContact CG-CG 4.49Å
35	D	94.9	Very high	93.4	Very high	48 Å²	48	71.7 Å²	71.7	26%	0.257	39%	0.386	S	S	.	.	H	α-helix	trans	-58.3	-36.6	177.9	-81.6	-45	0	0	0	111.4	K31 I33 S38 R43	K31-D35 IonicContact NZ-OD2 3.25Å; K31-D35 PolarHBondContact NZ-OD2 3.09Å; K31-D35 WeakPolarHBondContact O-CB 3.18Å; K31-D35 PolarHBondContact O-N 3.07Å; I33-D35 PolarHBondContact O-N 3.38Å; D35-S38 PolarHBondContact O-OG 3.18Å; D35-R43 IonicContact OD1-CZ 3.73Å; D35-R43 IonicContact OD1-NH1 2.7Å; D35-R43 IonicContact OD1-NH2 2.8Å; D35-R43 PolarHBondContact OD1-NH2 3.07Å
36	S	94.9	Very high	93.8	Very high	74 Å²	74	71.5 Å²	71.5	52%	0.517	39%	0.387	S	S	.	.	H	α-helix	trans	-71.6	-27.2	179.2	80	0	0	0	0	114.6	S32 I33 Y34	S32-S36 WeakPolarHBondContact O-CB 3.23Å; S32-S36 PolarHBondContact O-N 3.13Å; I33-S36 WeakPolarHBondContact O-CB 3.13Å; I33-S36 PolarHBondContact O-N 2.7Å; I33-S36 PolarHBondContact O-OG 3.4Å; Y34-S36 PolarHBondContact O-N 3.23Å
37	L	95.4	Very high	94.1	Very high	33 Å²	33	64 Å²	64	17%	0.173	36%	0.355	C	S	.	.	H	α-helix	trans	-98	-16.9	179.2	-64.4	174.8	0	0	0	112.4	I33 Y34 V45 Q49 R52 C53 M56	I33-L37 HydrophobicContact CG2-CD1 3.77Å; I33-L37 HydrophobicContact CG2-CG 4.31Å; I33-L37 PolarHBondContact O-N 2.61Å; Y34-L37 PolarHBondContact O-N 2.93Å; Y34-L37 VanDerWaalsContact O-N 3.13Å; L37-V45 HydrophobicContact CB-CG1 4.14Å; L37-V45 HydrophobicContact CB-CG2 3.92Å; L37-Q49 HydrophobicContact CD1-CB 4.46Å; L37-R52 HydrophobicContact CD2-CG 3.89Å; L37-C53 HydrophobicContact CD1-CB 3.82Å; L37-M56 HydrophobicContact CD1-SD 4.41Å; L37-M56 HydrophobicContact CD2-SD 4.21Å; L37-M56 HydrophobicContact CG-SD 4.43Å
38	S	94.1	Very high	94.3	Very high	17 Å²	17	59.8 Å²	59.8	12%	0.119	34%	0.337	C	S	.	.	S	Bend	trans	-66	140	-175.9	71.4	0	0	0	0	112	Y34 D35 K44	Y34-S38 VanDerWaalsContact O-CB 3.28Å; Y34-S38 WeakPolarHBondContact O-CB 3.24Å; Y34-S38 PolarHBondContact O-N 2.87Å; D35-S38 PolarHBondContact O-OG 3.18Å; S38-K44 WeakPolarHBondContact CA-O 3.4Å
39	S	91.8	Very high	94.4	Very high	60 Å²	60	58.5 Å²	58.5	42%	0.42	32%	0.321	S	S	.	.			trans	-68.6	135.6	171.6	169.1	0	0	0	0	110.4	K41 S42 R43 K44	S39-K41 PolarHBondContact O-N 2.88Å; S39-K41 VanDerWaalsContact O-N 3.1Å; S39-K41 PolarHBondContact OG-N 3.06Å; S39-S42 WeakPolarHBondContact CB-OG 3.38Å; S39-S42 PolarHBondContact O-N 3.44Å; S39-R43 VanDerWaalsContact O-CA 3.3Å; S39-R43 WeakPolarHBondContact O-CA 3.45Å; S39-R43 PolarHBondContact O-N 3.26Å; S39-K44 PolarHBondContact N-O 3.03Å
40	A	87.9	Confident	94.6	Very high	96 Å²	96	55.6 Å²	55.6	79%	0.793	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-28.6	178.1	0	0	0	0	0	113.2
41	K	89.7	Confident	94.6	Very high	203 Å²	203	56.9 Å²	56.9	88%	0.883	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-46.6	-177.5	-176.9	177.1	177.8	-177.7	0	112.8	S39	S39-K41 PolarHBondContact O-N 2.88Å; S39-K41 VanDerWaalsContact O-N 3.1Å; S39-K41 PolarHBondContact OG-N 3.06Å
42	S	90	Very high	94.6	Very high	63 Å²	63	57.8 Å²	57.8	44%	0.441	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-19.1	-175.7	60	0	0	0	0	113.4	S39 K44	S39-S42 WeakPolarHBondContact CB-OG 3.38Å; S39-S42 PolarHBondContact O-N 3.44Å; S42-K44 PolarHBondContact O-N 2.88Å; S42-K44 VanDerWaalsContact O-N 3.16Å; S42-K44 PolarHBondContact OG-N 3.24Å
43	R	91.1	Very high	94.5	Very high	139 Å²	139	54.1 Å²	54.1	53%	0.525	29%	0.287	S	S	.	.			trans	54.5	25.1	-168	-58.1	-72.2	-65.4	158.5	11	112.4	Y34 D35 S39	Y34-R43 WeakPolarHBondContact CE1-O 3.41Å; Y34-R43 PolarHBondContact OH-O 3.13Å; D35-R43 IonicContact OD1-CZ 3.73Å; D35-R43 IonicContact OD1-NH1 2.7Å; D35-R43 IonicContact OD1-NH2 2.8Å; D35-R43 PolarHBondContact OD1-NH2 3.07Å; S39-R43 VanDerWaalsContact O-CA 3.3Å; S39-R43 WeakPolarHBondContact O-CA 3.45Å; S39-R43 PolarHBondContact O-N 3.26Å
44	K	94.7	Very high	94.5	Very high	80 Å²	80	53.4 Å²	53.4	35%	0.348	28%	0.284	S	S	.	.			trans	-119.1	152.6	178.7	-69.7	-165.7	173.2	-159.8	0	111.6	Y34 S38 S39 S42 A87 L88	Y34-K44 WeakPolarHBondContact OH-CA 3.44Å; S38-K44 WeakPolarHBondContact CA-O 3.4Å; S39-K44 PolarHBondContact N-O 3.03Å; S42-K44 PolarHBondContact O-N 2.88Å; S42-K44 VanDerWaalsContact O-N 3.16Å; S42-K44 PolarHBondContact OG-N 3.24Å; K44-A87 HydrophobicContact CB-CB 4.1Å; K44-A87 HydrophobicContact CD-CB 3.84Å; K44-L88 WeakPolarHBondContact CB-O 3.38Å
45	V	97.3	Very high	94.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	136	174.8	177.4	0	0	0	0	108.2	Y34 L37 Q49 L88 F93	Y34-V45 HydrophobicContact CD1-CG2 4.5Å; Y34-V45 HydrophobicContact CD2-CB 4.18Å; Y34-V45 HydrophobicContact CD2-CG2 3.49Å; Y34-V45 VanDerWaalsContact CD2-CG2 3.49Å; Y34-V45 HydrophobicContact CE2-CB 4.02Å; Y34-V45 HydrophobicContact CE2-CG2 3.63Å; Y34-V45 HydrophobicContact CG-CG2 3.98Å; Y34-V45 WeakPolarHBondContact O-CG2 3.37Å; L37-V45 HydrophobicContact CB-CG1 4.14Å; L37-V45 HydrophobicContact CB-CG2 3.92Å; V45-Q49 HydrophobicContact CG1-CB 3.54Å; V45-Q49 HydrophobicContact CG1-CG 4.08Å; V45-L88 PolarHBondContact N-O 2.67Å; V45-L88 PolarHBondContact O-N 3.4Å; V45-F93 HydrophobicContact CB-CD2 4.31Å; V45-F93 HydrophobicContact CG1-CD2 4.18Å; V45-F93 HydrophobicContact CG1-CE2 4.05Å
46	T	97.5	Very high	94.1	Very high	44 Å²	44	56.1 Å²	56.1	27%	0.27	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	146.3	175.6	52.3	0	0	0	0	110.6	N48 Q49 E84 I86	T46-N48 WeakPolarHBondContact CB-OD1 3.36Å; T46-N48 PolarHBondContact O-N 3.19Å; T46-N48 PolarHBondContact OG1-OD1 2.7Å; T46-Q49 VanDerWaalsContact O-CB 3.27Å; T46-Q49 WeakPolarHBondContact O-CB 3.42Å; T46-Q49 PolarHBondContact O-N 2.68Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.28Å; T46-E84 VanDerWaalsContact CG2-O 3.24Å; T46-E84 WeakPolarHBondContact CG2-O 3.15Å; T46-I86 CarbonylContact C-O 3.46Å; T46-I86 VanDerWaalsContact CA-O 3.23Å; T46-I86 WeakPolarHBondContact CA-O 3.02Å
47	L	97.6	Very high	94	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.5	-173.4	179.3	56.9	0	0	0	112.6	Q49 I50 I69 Y70 P83 I86 L88 I96	L47-Q49 PolarHBondContact O-N 2.89Å; L47-Q49 VanDerWaalsContact O-N 3.13Å; L47-I50 HydrophobicContact CD1-CG1 4.1Å; L47-I50 WeakPolarHBondContact O-CB 3.29Å; L47-I50 VanDerWaalsContact O-CG1 3.28Å; L47-I50 WeakPolarHBondContact O-CG1 3.45Å; L47-I50 PolarHBondContact O-N 3.47Å; L47-I50 VanDerWaalsContact O-N 3.09Å; L47-I69 HydrophobicContact CD1-CG2 3.96Å; L47-Y70 HydrophobicContact CD1-CD1 4.08Å; L47-Y70 HydrophobicContact CD2-CD1 4.19Å; L47-Y70 HydrophobicContact CG-CD1 3.67Å; L47-Y70 HydrophobicContact CG-CE1 4.16Å; L47-Y70 WeakPolarHBondContact O-CE1 3.21Å; L47-P83 HydrophobicContact CB-CB 4.18Å; L47-P83 WeakPolarHBondContact CB-O 3.31Å; L47-P83 HydrophobicContact CD2-CB 4.26Å; L47-P83 HydrophobicContact CG-CB 4.11Å; L47-P83 PolarHBondContact N-O 3.09Å; L47-I86 HydrophobicContact CB-CB 3.93Å; L47-I86 HydrophobicContact CB-CG2 4.22Å; L47-I86 HydrophobicContact CD2-CB 4.09Å; L47-I86 HydrophobicContact CD2-CG1 4.44Å; L47-I86 HydrophobicContact CD2-CG2 4.02Å; L47-I86 PolarHBondContact N-O 2.92Å; L47-L88 HydrophobicContact CB-CD1 4.39Å; L47-L88 HydrophobicContact CB-CG 4.35Å; L47-L88 HydrophobicContact CD1-CD1 3.85Å; L47-L88 HydrophobicContact CD1-CD2 4.19Å; L47-L88 HydrophobicContact CD1-CG 4.33Å; L47-I96 HydrophobicContact CD1-CD1 4.23Å
48	N	96.7	Very high	93.7	Very high	50 Å²	50	55.7 Å²	55.7	27%	0.267	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-20.6	173.8	73.7	-23.8	0	0	0	114.6	T46 I50 P83 E84	T46-N48 WeakPolarHBondContact CB-OD1 3.36Å; T46-N48 PolarHBondContact O-N 3.19Å; T46-N48 PolarHBondContact OG1-OD1 2.7Å; N48-I50 PolarHBondContact O-N 3.4Å; N48-P83 HydrophobicContact CB-CB 4.21Å; N48-P83 HydrophobicContact CB-CG 4.3Å; N48-P83 PolarHBondContact N-O 2.92Å; N48-E84 WeakPolarHBondContact ND2-CB 3.43Å
49	Q	97.1	Very high	93.7	Very high	57 Å²	57	55.4 Å²	55.4	27%	0.266	29%	0.285	S	S	.	.	H	α-helix	trans	-75.5	-9.4	176.9	-61	-58.3	-55.2	0	0	113.1	L37 V45 T46 L47 C51 R52 C53	L37-Q49 HydrophobicContact CD1-CB 4.46Å; V45-Q49 HydrophobicContact CG1-CB 3.54Å; V45-Q49 HydrophobicContact CG1-CG 4.08Å; T46-Q49 VanDerWaalsContact O-CB 3.27Å; T46-Q49 WeakPolarHBondContact O-CB 3.42Å; T46-Q49 PolarHBondContact O-N 2.68Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.28Å; L47-Q49 PolarHBondContact O-N 2.89Å; L47-Q49 VanDerWaalsContact O-N 3.13Å; Q49-C51 PolarHBondContact O-N 3.38Å; Q49-R52 WeakPolarHBondContact O-CA 3.37Å; Q49-R52 WeakPolarHBondContact O-CB 3.28Å; Q49-R52 PolarHBondContact O-N 2.73Å; Q49-C53 PolarHBondContact O-N 3.06Å
50	I	97.6	Very high	93.5	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-57.8	-39.6	175.3	-66.5	-59.7	0	0	0	111.1	L47 N48 R52 C53 L54 I69 L88 F93 I96 I97	L47-I50 HydrophobicContact CD1-CG1 4.1Å; L47-I50 WeakPolarHBondContact O-CB 3.29Å; L47-I50 VanDerWaalsContact O-CG1 3.28Å; L47-I50 WeakPolarHBondContact O-CG1 3.45Å; L47-I50 PolarHBondContact O-N 3.47Å; L47-I50 VanDerWaalsContact O-N 3.09Å; N48-I50 PolarHBondContact O-N 3.4Å; I50-R52 PolarHBondContact O-N 3.28Å; I50-C53 WeakPolarHBondContact O-CB 3.36Å; I50-C53 PolarHBondContact O-N 3.45Å; I50-C53 VanDerWaalsContact O-N 3.15Å; I50-L54 HydrophobicContact CG2-CD1 4.04Å; I50-L54 HydrophobicContact CG2-CG 4.31Å; I50-L54 WeakPolarHBondContact O-CG 3.41Å; I50-L54 PolarHBondContact O-N 2.89Å; I50-I69 HydrophobicContact CG2-CD1 4.06Å; I50-I69 HydrophobicContact CG2-CG2 4.27Å; I50-L88 HydrophobicContact CD1-CD1 3.79Å; I50-L88 HydrophobicContact CG1-CD1 3.96Å; I50-F93 HydrophobicContact CD1-CD2 3.69Å; I50-F93 HydrophobicContact CD1-CE2 3.88Å; I50-I96 HydrophobicContact CD1-CB 4.25Å; I50-I96 HydrophobicContact CD1-CD1 4.08Å; I50-I96 HydrophobicContact CD1-CG2 3.81Å; I50-I96 HydrophobicContact CG1-CD1 4.28Å; I50-I96 HydrophobicContact CG1-CG2 4.1Å; I50-I96 HydrophobicContact CG2-CG2 3.74Å; I50-I97 HydrophobicContact CD1-CD1 4.02Å; I50-I97 HydrophobicContact CG2-CD1 4.44Å
51	C	95.6	Very high	93.7	Very high	29 Å²	29	53.4 Å²	53.4	20%	0.196	26%	0.264	C	S	.	.	H	α-helix	trans	-55.5	-52.1	173.2	177	0	0	0	0	110.7	Q49 C53 L54 Q55 P61 L66	Q49-C51 PolarHBondContact O-N 3.38Å; C51-C53 VanDerWaalsContact C-N 3.27Å; C51-C53 PolarHBondContact O-N 3.14Å; C51-L54 PolarHBondContact O-N 2.8Å; C51-Q55 WeakPolarHBondContact O-CG 3.43Å; C51-Q55 PolarHBondContact O-N 2.8Å; C51-P61 HydrophobicContact CB-CG 4.49Å; C51-L66 HydrophobicContact CB-CD1 3.83Å; C51-L66 HydrophobicContact CB-CD2 3.78Å; C51-L66 HydrophobicContact CB-CG 4.49Å
52	R	94.5	Very high	93.8	Very high	113 Å²	113	46.7 Å²	46.7	43%	0.426	24%	0.24	S	C	.	.	H	α-helix	trans	-58.8	-38.6	178.1	179	63.5	-169.9	102.5	6.7	112.3	L37 Q49 I50 Q55 M56	L37-R52 HydrophobicContact CD2-CG 3.89Å; Q49-R52 WeakPolarHBondContact O-CA 3.37Å; Q49-R52 WeakPolarHBondContact O-CB 3.28Å; Q49-R52 PolarHBondContact O-N 2.73Å; I50-R52 PolarHBondContact O-N 3.28Å; R52-Q55 WeakPolarHBondContact O-CB 3.46Å; R52-Q55 PolarHBondContact O-N 3.12Å; R52-M56 VanDerWaalsContact CZ-CG 3.45Å; R52-M56 WeakPolarHBondContact O-CG 3.27Å; R52-M56 PolarHBondContact O-N 3.05Å
53	C	94.8	Very high	94	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.4	-50	177.1	-178.3	0	0	0	0	112	I33 L37 Q49 I50 C51 Q55 M56 L57 F93 I97	I33-C53 HydrophobicContact CG2-CB 4.27Å; I33-C53 WeakPolarHBondContact CG2-SG 3.5Å; L37-C53 HydrophobicContact CD1-CB 3.82Å; Q49-C53 PolarHBondContact O-N 3.06Å; I50-C53 WeakPolarHBondContact O-CB 3.36Å; I50-C53 PolarHBondContact O-N 3.45Å; I50-C53 VanDerWaalsContact O-N 3.15Å; C51-C53 VanDerWaalsContact C-N 3.27Å; C51-C53 PolarHBondContact O-N 3.14Å; C53-Q55 PolarHBondContact O-N 3.32Å; C53-M56 WeakPolarHBondContact O-CA 3.21Å; C53-M56 WeakPolarHBondContact O-CB 3.43Å; C53-M56 PolarHBondContact O-N 2.63Å; C53-L57 PolarHBondContact O-N 3.04Å; C53-F93 HydrophobicContact CB-CE2 4.22Å; C53-F93 HydrophobicContact CB-CZ 4.1Å; C53-F93 WeakPolarHBondContact SG-CZ 3.45Å; C53-I97 HydrophobicContact CB-CD1 3.93Å; C53-I97 WeakPolarHBondContact SG-CD1 3.32Å
54	L	94.3	Very high	94.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-60.2	-35.9	177.1	-66.5	175.2	0	0	0	111.1	I50 C51 M56 L57 N58 Q59 P61 I97	I50-L54 HydrophobicContact CG2-CD1 4.04Å; I50-L54 HydrophobicContact CG2-CG 4.31Å; I50-L54 WeakPolarHBondContact O-CG 3.41Å; I50-L54 PolarHBondContact O-N 2.89Å; C51-L54 PolarHBondContact O-N 2.8Å; L54-M56 VanDerWaalsContact C-N 3.35Å; L54-M56 PolarHBondContact O-N 3.1Å; L54-L57 CarbonylContact O-C 3.53Å; L54-L57 WeakPolarHBondContact O-CA 3.48Å; L54-L57 WeakPolarHBondContact O-CB 3.47Å; L54-L57 PolarHBondContact O-N 3.4Å; L54-N58 PolarHBondContact O-N 3Å; L54-Q59 CarbonylContact C-O 3.47Å; L54-Q59 HydrophobicContact CB-CB 4.25Å; L54-Q59 WeakPolarHBondContact O-CB 3.38Å; L54-Q59 PolarHBondContact O-N 3.46Å; L54-P61 HydrophobicContact CB-CB 4.46Å; L54-P61 HydrophobicContact CB-CG 4.02Å; L54-P61 HydrophobicContact CD1-CB 3.69Å; L54-P61 HydrophobicContact CD1-CG 4.02Å; L54-I97 HydrophobicContact CD2-CD1 4.17Å; L54-I97 HydrophobicContact CG-CD1 4.49Å
55	Q	92.5	Very high	94.2	Very high	51 Å²	51	41.4 Å²	41.4	24%	0.238	24%	0.237	C	C	.	.	H	α-helix	trans	-64.4	-34	171.7	-65.4	178.4	-22.1	0	0	113.5	C51 R52 C53 L57 N58 Q59 Y175	C51-Q55 WeakPolarHBondContact O-CG 3.43Å; C51-Q55 PolarHBondContact O-N 2.8Å; R52-Q55 WeakPolarHBondContact O-CB 3.46Å; R52-Q55 PolarHBondContact O-N 3.12Å; C53-Q55 PolarHBondContact O-N 3.32Å; Q55-L57 PolarHBondContact O-N 3.07Å; Q55-N58 PolarHBondContact O-N 3.42Å; Q55-Q59 WeakPolarHBondContact CA-O 3.4Å; Q55-Q59 PolarHBondContact N-O 3.15Å; Q55-Y175 HydrophobicContact CB-CD1 4.22Å; Q55-Y175 HydrophobicContact CB-CE1 3.7Å; Q55-Y175 HydrophobicContact CG-CD1 4.48Å; Q55-Y175 HydrophobicContact CG-CE1 3.5Å; Q55-Y175 WeakPolarHBondContact CG-OH 3.45Å
56	M	91.6	Very high	94.2	Very high	69 Å²	69	42.3 Å²	42.3	34%	0.34	24%	0.242	S	C	.	.	H	α-helix	trans	-66.6	-21.7	171.9	-66.4	176.7	62.3	0	0	112.4	I33 L37 R52 C53 L54 N58	I33-M56 HydrophobicContact CG1-CE 4.23Å; I33-M56 HydrophobicContact CG2-CE 4.05Å; I33-M56 HydrophobicContact CG2-SD 3.91Å; L37-M56 HydrophobicContact CD1-SD 4.41Å; L37-M56 HydrophobicContact CD2-SD 4.21Å; L37-M56 HydrophobicContact CG-SD 4.43Å; R52-M56 VanDerWaalsContact CZ-CG 3.45Å; R52-M56 WeakPolarHBondContact O-CG 3.27Å; R52-M56 PolarHBondContact O-N 3.05Å; C53-M56 WeakPolarHBondContact O-CA 3.21Å; C53-M56 WeakPolarHBondContact O-CB 3.43Å; C53-M56 PolarHBondContact O-N 2.63Å; L54-M56 VanDerWaalsContact C-N 3.35Å; L54-M56 PolarHBondContact O-N 3.1Å; M56-N58 VanDerWaalsContact C-N 3.32Å
57	L	92	Very high	94.2	Very high	25 Å²	25	45 Å²	45	13%	0.131	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	16.5	177	-62.1	168.7	0	0	0	112.5	L25 I33 C53 L54 Q55 Q59 I97	L25-L57 HydrophobicContact CD1-CD1 3.69Å; L25-L57 HydrophobicContact CD1-CD2 4.02Å; L25-L57 HydrophobicContact CD1-CG 4.49Å; L25-L57 HydrophobicContact CD2-CD2 4.4Å; I33-L57 HydrophobicContact CD1-CD2 3.65Å; I33-L57 HydrophobicContact CD1-CG 4.06Å; C53-L57 PolarHBondContact O-N 3.04Å; L54-L57 CarbonylContact O-C 3.53Å; L54-L57 WeakPolarHBondContact O-CA 3.48Å; L54-L57 WeakPolarHBondContact O-CB 3.47Å; L54-L57 PolarHBondContact O-N 3.4Å; Q55-L57 PolarHBondContact O-N 3.07Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 2.94Å; L57-I97 HydrophobicContact CD1-CG2 3.72Å
58	N	90.8	Very high	94.1	Very high	73 Å²	73	49.8 Å²	49.8	39%	0.39	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	36.7	-177.9	-59.1	-32.4	0	0	0	113.7	L54 Q55 M56 R107	L54-N58 PolarHBondContact O-N 3Å; Q55-N58 PolarHBondContact O-N 3.42Å; M56-N58 VanDerWaalsContact C-N 3.32Å; N58-R107 PolarHBondContact O-NE 3.2Å
59	Q	92.1	Very high	94.2	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.047	26%	0.262	C	S	.	.			trans	-116.9	143.4	174.7	-72.5	171.5	-127.1	0	0	111.9	L54 Q55 L57 P61 Y100 Y102 Y175	L54-Q59 CarbonylContact C-O 3.47Å; L54-Q59 HydrophobicContact CB-CB 4.25Å; L54-Q59 WeakPolarHBondContact O-CB 3.38Å; L54-Q59 PolarHBondContact O-N 3.46Å; Q55-Q59 WeakPolarHBondContact CA-O 3.4Å; Q55-Q59 PolarHBondContact N-O 3.15Å; L57-Q59 VanDerWaalsContact C-N 3.32Å; L57-Q59 PolarHBondContact O-N 2.94Å; Q59-P61 WeakPolarHBondContact O-CD 3.2Å; Q59-Y100 PolarHBondContact NE2-O 3.35Å; Q59-Y102 HydrophobicContact CG-CD2 4.44Å; Q59-Y102 VanDerWaalsContact NE2-CD2 3.32Å; Q59-Y175 WeakPolarHBondContact O-CE2 3.48Å; Q59-Y175 PolarHBondContact O-OH 3.09Å
60	C	88.1	Confident	94.2	Very high	99 Å²	99	46.7 Å²	46.7	67%	0.669	26%	0.258	S	S	*	.			trans	-104.5	88.4	170.7	-163.3	0	0	0	0	107.9	T62 Y175	C60-T62 PolarHBondContact O-N 3.32Å; C60-Y175 WeakPolarHBondContact CA-OH 3.21Å; C60-Y175 HydrophobicContact CB-CE2 3.67Å; C60-Y175 VanDerWaalsContact CB-OH 3.31Å; C60-Y175 WeakPolarHBondContact CB-OH 3.43Å; C60-Y175 VanDerWaalsContact N-CE2 3.33Å; C60-Y175 PolarHBondContact SG-OH 3.48Å
61	P	92.5	Very high	94.1	Very high	16 Å²	16	50.9 Å²	50.9	10%	0.104	29%	0.287	C	S	.	.			trans	-62.6	135.1	177	28.4	-34.9	0	0	0	109.3	C51 L54 Q59 L66	C51-P61 HydrophobicContact CB-CG 4.49Å; L54-P61 HydrophobicContact CB-CB 4.46Å; L54-P61 HydrophobicContact CB-CG 4.02Å; L54-P61 HydrophobicContact CD1-CB 3.69Å; L54-P61 HydrophobicContact CD1-CG 4.02Å; Q59-P61 WeakPolarHBondContact O-CD 3.2Å; P61-L66 HydrophobicContact CB-CD1 4.43Å; P61-L66 HydrophobicContact CB-CD2 3.87Å; P61-L66 HydrophobicContact CB-CG 3.97Å; P61-L66 HydrophobicContact CG-CD1 4.2Å; P61-L66 HydrophobicContact CG-CD2 3.94Å; P61-L66 HydrophobicContact CG-CG 4.2Å
62	T	92.7	Very high	94.1	Very high	62 Å²	62	53.5 Å²	53.5	38%	0.38	30%	0.299	S	S	.	.			trans	-73.2	157.3	175.5	57.8	0	0	0	0	110.8	C60 A64 T65 L66 D140	C60-T62 PolarHBondContact O-N 3.32Å; T62-A64 VanDerWaalsContact C-N 3.25Å; T62-A64 PolarHBondContact O-N 3.43Å; T62-T65 WeakPolarHBondContact O-CB 3.27Å; T62-T65 PolarHBondContact O-N 2.86Å; T62-T65 VanDerWaalsContact O-N 3.09Å; T62-T65 WeakPolarHBondContact OG1-CB 3.46Å; T62-T65 PolarHBondContact OG1-N 2.96Å; T62-T65 PolarHBondContact OG1-OG1 2.68Å; T62-L66 PolarHBondContact O-N 3.27Å; T62-D140 WeakPolarHBondContact CA-OD2 3.4Å; T62-D140 WeakPolarHBondContact CB-OD2 3.24Å
63	S	93.9	Very high	94.2	Very high	60 Å²	60	49.8 Å²	49.8	42%	0.42	29%	0.285	S	S	.	.	H	α-helix	trans	-55.4	-44.8	175.7	-52.5	0	0	0	0	110.7	T65 L66 D67 D140	S63-T65 VanDerWaalsContact C-N 3.32Å; S63-T65 PolarHBondContact O-N 2.91Å; S63-L66 PolarHBondContact O-N 2.69Å; S63-L66 VanDerWaalsContact O-N 3.1Å; S63-D67 WeakPolarHBondContact O-CB 3.44Å; S63-D67 PolarHBondContact O-N 2.84Å; S63-D140 WeakPolarHBondContact CB-OD1 3.28Å; S63-D140 PolarHBondContact N-OD2 3.36Å; S63-D140 PolarHBondContact OG-OD1 3.15Å
64	A	94.5	Very high	94.3	Very high	70 Å²	70	51.3 Å²	51.3	58%	0.579	30%	0.295	S	S	*	.	H	α-helix	trans	-59.5	-39.6	177.2	0	0	0	0	0	113.4	T62 K68	T62-A64 VanDerWaalsContact C-N 3.25Å; T62-A64 PolarHBondContact O-N 3.43Å; A64-K68 WeakPolarHBondContact O-CB 3.49Å; A64-K68 PolarHBondContact O-N 3.28Å
65	T	95.4	Very high	94.3	Very high	40 Å²	40	53.9 Å²	53.9	25%	0.245	31%	0.311	C	S	.	.	H	α-helix	trans	-65.4	-43.6	175.5	-60.6	0	0	0	0	111	T62 S63 K68 I69 Y100	T62-T65 WeakPolarHBondContact O-CB 3.27Å; T62-T65 PolarHBondContact O-N 2.86Å; T62-T65 VanDerWaalsContact O-N 3.09Å; T62-T65 WeakPolarHBondContact OG1-CB 3.46Å; T62-T65 PolarHBondContact OG1-N 2.96Å; T62-T65 PolarHBondContact OG1-OG1 2.68Å; S63-T65 VanDerWaalsContact C-N 3.32Å; S63-T65 PolarHBondContact O-N 2.91Å; T65-K68 PolarHBondContact O-N 3.44Å; T65-I69 HydrophobicContact CG2-CD1 3.99Å; T65-I69 WeakPolarHBondContact O-CD1 3.38Å; T65-I69 VanDerWaalsContact O-CG1 3.28Å; T65-I69 WeakPolarHBondContact O-CG1 3.23Å; T65-I69 PolarHBondContact O-N 2.85Å; T65-Y100 HydrophobicContact CG2-CD1 3.6Å; T65-Y100 HydrophobicContact CG2-CE1 3.94Å
66	L	97.2	Very high	94.4	Very high	19 Å²	19	60.2 Å²	60.2	10%	0.099	34%	0.341	C	S	.	.	H	α-helix	trans	-66	-43.8	178.5	-67.8	174.4	0	0	0	111.7	C51 P61 T62 S63 K68 I69 Y70	C51-L66 HydrophobicContact CB-CD1 3.83Å; C51-L66 HydrophobicContact CB-CD2 3.78Å; C51-L66 HydrophobicContact CB-CG 4.49Å; P61-L66 HydrophobicContact CB-CD1 4.43Å; P61-L66 HydrophobicContact CB-CD2 3.87Å; P61-L66 HydrophobicContact CB-CG 3.97Å; P61-L66 HydrophobicContact CG-CD1 4.2Å; P61-L66 HydrophobicContact CG-CD2 3.94Å; P61-L66 HydrophobicContact CG-CG 4.2Å; T62-L66 PolarHBondContact O-N 3.27Å; S63-L66 PolarHBondContact O-N 2.69Å; S63-L66 VanDerWaalsContact O-N 3.1Å; L66-K68 VanDerWaalsContact C-N 3.29Å; L66-K68 PolarHBondContact O-N 3.05Å; L66-I69 WeakPolarHBondContact O-CB 3.29Å; L66-I69 PolarHBondContact O-N 3.35Å; L66-I69 VanDerWaalsContact O-N 3.14Å; L66-Y70 HydrophobicContact CB-CE2 3.96Å; L66-Y70 WeakPolarHBondContact O-CB 3.37Å; L66-Y70 WeakPolarHBondContact O-CD1 3.35Å; L66-Y70 WeakPolarHBondContact O-CD2 3.42Å; L66-Y70 PolarHBondContact O-N 3.37Å
67	D	96.6	Very high	94.6	Very high	100 Å²	100	63.3 Å²	63.3	54%	0.535	36%	0.359	S	S	.	.	H	α-helix	trans	-60.3	-41.8	177.9	-68.5	-24.3	0	0	0	111	S63 Y70 S71	S63-D67 WeakPolarHBondContact O-CB 3.44Å; S63-D67 PolarHBondContact O-N 2.84Å; D67-Y70 PolarHBondContact O-N 3.25Å; D67-S71 WeakPolarHBondContact O-CB 3.45Å; D67-S71 PolarHBondContact O-N 3.48Å
68	K	96.7	Very high	94.7	Very high	101 Å²	101	66.1 Å²	66.1	44%	0.439	37%	0.373	S	S	.	.	H	α-helix	trans	-60.1	-49.1	173	-174.9	-179.7	-176	-59.6	0	111.6	A64 T65 L66 Y70 S71 D72 Y100	A64-K68 WeakPolarHBondContact O-CB 3.49Å; A64-K68 PolarHBondContact O-N 3.28Å; T65-K68 PolarHBondContact O-N 3.44Å; L66-K68 VanDerWaalsContact C-N 3.29Å; L66-K68 PolarHBondContact O-N 3.05Å; K68-Y70 VanDerWaalsContact C-N 3.27Å; K68-Y70 PolarHBondContact O-N 3.45Å; K68-S71 PolarHBondContact O-N 3.01Å; K68-D72 IonicContact NZ-OD2 4Å; K68-D72 PolarHBondContact NZ-OD2 2.99Å; K68-D72 WeakPolarHBondContact O-CB 3.33Å; K68-D72 PolarHBondContact O-N 3.23Å; K68-Y100 PolarHBondContact NZ-OH 2.88Å
69	I	97.6	Very high	94.8	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-59.4	-41.8	176.9	-67.6	163.4	0	0	0	110.8	L47 I50 T65 L66 D72 Y73 I96 Y100	L47-I69 HydrophobicContact CD1-CG2 3.96Å; I50-I69 HydrophobicContact CG2-CD1 4.06Å; I50-I69 HydrophobicContact CG2-CG2 4.27Å; T65-I69 HydrophobicContact CG2-CD1 3.99Å; T65-I69 WeakPolarHBondContact O-CD1 3.38Å; T65-I69 VanDerWaalsContact O-CG1 3.28Å; T65-I69 WeakPolarHBondContact O-CG1 3.23Å; T65-I69 PolarHBondContact O-N 2.85Å; L66-I69 WeakPolarHBondContact O-CB 3.29Å; L66-I69 PolarHBondContact O-N 3.35Å; L66-I69 VanDerWaalsContact O-N 3.14Å; I69-D72 PolarHBondContact O-N 2.8Å; I69-Y73 HydrophobicContact CG2-CD2 4.19Å; I69-Y73 WeakPolarHBondContact O-CD2 3.48Å; I69-Y73 PolarHBondContact O-N 3.13Å; I69-Y73 VanDerWaalsContact O-N 3.12Å; I69-I96 HydrophobicContact CD1-CG2 4.34Å; I69-I96 HydrophobicContact CG2-CD1 4.37Å; I69-I96 HydrophobicContact CG2-CG2 3.95Å; I69-Y100 HydrophobicContact CD1-CD1 3.88Å; I69-Y100 HydrophobicContact CD1-CD2 3.71Å; I69-Y100 HydrophobicContact CD1-CE1 4.12Å; I69-Y100 HydrophobicContact CD1-CE2 3.98Å; I69-Y100 HydrophobicContact CD1-CG 3.66Å; I69-Y100 HydrophobicContact CG1-CD1 4.15Å; I69-Y100 HydrophobicContact CG1-CD2 3.72Å; I69-Y100 HydrophobicContact CG1-CE1 3.88Å; I69-Y100 HydrophobicContact CG1-CE2 3.44Å; I69-Y100 VanDerWaalsContact CG1-CE2 3.44Å; I69-Y100 HydrophobicContact CG1-CG 4.07Å
70	Y	97.4	Very high	94.8	Very high	42 Å²	42	74.2 Å²	74.2	17%	0.165	43%	0.43	C	S	.	.	H	α-helix	trans	-66.8	-39.7	-179.3	-61.5	-17.7	0	0	0	111.5	L47 L66 D67 K68 T74 P83	L47-Y70 HydrophobicContact CD1-CD1 4.08Å; L47-Y70 HydrophobicContact CD2-CD1 4.19Å; L47-Y70 HydrophobicContact CG-CD1 3.67Å; L47-Y70 HydrophobicContact CG-CE1 4.16Å; L47-Y70 WeakPolarHBondContact O-CE1 3.21Å; L66-Y70 HydrophobicContact CB-CE2 3.96Å; L66-Y70 WeakPolarHBondContact O-CB 3.37Å; L66-Y70 WeakPolarHBondContact O-CD1 3.35Å; L66-Y70 WeakPolarHBondContact O-CD2 3.42Å; L66-Y70 PolarHBondContact O-N 3.37Å; D67-Y70 PolarHBondContact O-N 3.25Å; K68-Y70 VanDerWaalsContact C-N 3.27Å; K68-Y70 PolarHBondContact O-N 3.45Å; Y70-T74 VanDerWaalsContact O-CB 3.29Å; Y70-T74 WeakPolarHBondContact O-CB 3.35Å; Y70-T74 PolarHBondContact O-N 2.83Å; Y70-T74 PolarHBondContact O-OG1 3.06Å; Y70-P83 HydrophobicContact CD1-CB 3.96Å; Y70-P83 HydrophobicContact CD2-CB 4.18Å; Y70-P83 HydrophobicContact CD2-CG 3.91Å; Y70-P83 HydrophobicContact CE1-CB 4.23Å; Y70-P83 HydrophobicContact CE2-CB 4.43Å; Y70-P83 HydrophobicContact CE2-CG 4.06Å; Y70-P83 HydrophobicContact CG-CB 3.92Å; Y70-P83 HydrophobicContact CG-CG 4.17Å
71	S	95.3	Very high	95.1	Very high	88 Å²	88	73.2 Å²	73.2	62%	0.615	42%	0.417	S	S	*	.	H	α-helix	trans	-65.4	-48	174	-170.2	0	0	0	0	112	D67 K68 Y73	D67-S71 WeakPolarHBondContact O-CB 3.45Å; D67-S71 PolarHBondContact O-N 3.48Å; K68-S71 PolarHBondContact O-N 3.01Å; S71-Y73 VanDerWaalsContact C-N 3.34Å; S71-Y73 PolarHBondContact O-N 3.04Å
72	D	96	Very high	95.2	Very high	85 Å²	85	73.6 Å²	73.6	46%	0.455	42%	0.423	S	S	.	.	H	α-helix	trans	-69.9	-28.8	-172.5	-69.1	-12.9	0	0	0	113.2	K68 I69	K68-D72 IonicContact NZ-OD2 4Å; K68-D72 PolarHBondContact NZ-OD2 2.99Å; K68-D72 WeakPolarHBondContact O-CB 3.33Å; K68-D72 PolarHBondContact O-N 3.23Å; I69-D72 PolarHBondContact O-N 2.8Å
73	Y	96.1	Very high	95.4	Very high	34 Å²	34	72.1 Å²	72.1	13%	0.133	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	9.3	-175.5	-67.3	-91.8	0	0	0	113.8	I69 S71 E95 I96	I69-Y73 HydrophobicContact CG2-CD2 4.19Å; I69-Y73 WeakPolarHBondContact O-CD2 3.48Å; I69-Y73 PolarHBondContact O-N 3.13Å; I69-Y73 VanDerWaalsContact O-N 3.12Å; S71-Y73 VanDerWaalsContact C-N 3.34Å; S71-Y73 PolarHBondContact O-N 3.04Å; Y73-E95 PolarHBondContact OH-OE1 2.98Å; Y73-I96 HydrophobicContact CD1-CD1 3.72Å; Y73-I96 HydrophobicContact CD1-CG1 3.85Å; Y73-I96 HydrophobicContact CD2-CD1 3.86Å; Y73-I96 HydrophobicContact CD2-CG1 3.74Å; Y73-I96 HydrophobicContact CE1-CD1 3.96Å; Y73-I96 HydrophobicContact CE1-CG1 3.55Å; Y73-I96 HydrophobicContact CE2-CD1 4.09Å; Y73-I96 HydrophobicContact CE2-CG1 3.42Å; Y73-I96 VanDerWaalsContact CE2-CG1 3.42Å; Y73-I96 HydrophobicContact CG-CD1 3.67Å; Y73-I96 HydrophobicContact CG-CG1 3.94Å
74	T	96.8	Very high	95.5	Very high	33 Å²	33	74.5 Å²	74.5	20%	0.202	42%	0.419	C	S	.	.	S	Bend	trans	-85.8	121.6	166.3	-65.1	0	0	0	0	108.8	Y70 M78 I86	Y70-T74 VanDerWaalsContact O-CB 3.29Å; Y70-T74 WeakPolarHBondContact O-CB 3.35Å; Y70-T74 PolarHBondContact O-N 2.83Å; Y70-T74 PolarHBondContact O-OG1 3.06Å; T74-M78 HydrophobicContact CG2-CB 4.38Å; T74-M78 WeakPolarHBondContact CG2-O 3.43Å; T74-I86 HydrophobicContact CG2-CD1 4.21Å; T74-I86 HydrophobicContact CG2-CG1 4.37Å
75	P	95.3	Very high	95.6	Very high	54 Å²	54	75 Å²	75	35%	0.351	42%	0.419	S	S	.	.			trans	-58	143.9	175	-24.8	35	0	0	0	112.1	D77 M78 E79	P75-D77 WeakPolarHBondContact CB-OD1 3.5Å; P75-D77 PolarHBondContact O-N 3.28Å; P75-M78 HydrophobicContact CB-CB 4.25Å; P75-M78 HydrophobicContact CB-CG 4.23Å; P75-M78 HydrophobicContact CG-CG 4.43Å; P75-M78 CarbonylContact O-C 3.41Å; P75-M78 WeakPolarHBondContact O-CA 3.46Å; P75-M78 PolarHBondContact O-N 2.88Å; P75-E79 PolarHBondContact O-N 3.33Å
76	E	94.2	Very high	95.6	Very high	185 Å²	185	73.7 Å²	73.7	86%	0.864	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-57.5	-34.6	-179.7	-63.7	179.6	177	0	0	112.7	M78 E79	E76-M78 PolarHBondContact O-N 2.65Å; E76-E79 PolarHBondContact O-N 2.63Å
77	D	95.7	Very high	95.6	Very high	134 Å²	134	74.8 Å²	74.8	72%	0.717	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-74.9	-8.3	177.3	67.2	-50.3	0	0	0	113.7	P75	P75-D77 WeakPolarHBondContact CB-OD1 3.5Å; P75-D77 PolarHBondContact O-N 3.28Å
78	M	94.7	Very high	95.6	Very high	84 Å²	84	70 Å²	70	41%	0.414	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-116.3	19.2	179.7	-63.4	-79.3	-178	0	0	112	T74 P75 E76 G80 I81 I86	T74-M78 HydrophobicContact CG2-CB 4.38Å; T74-M78 WeakPolarHBondContact CG2-O 3.43Å; P75-M78 HydrophobicContact CB-CB 4.25Å; P75-M78 HydrophobicContact CB-CG 4.23Å; P75-M78 HydrophobicContact CG-CG 4.43Å; P75-M78 CarbonylContact O-C 3.41Å; P75-M78 WeakPolarHBondContact O-CA 3.46Å; P75-M78 PolarHBondContact O-N 2.88Å; E76-M78 PolarHBondContact O-N 2.65Å; M78-G80 PolarHBondContact O-N 3.29Å; M78-I81 HydrophobicContact CB-CB 4.43Å; M78-I81 HydrophobicContact CB-CG1 4.23Å; M78-I81 WeakPolarHBondContact O-CB 3.29Å; M78-I81 VanDerWaalsContact O-CG1 3.29Å; M78-I81 WeakPolarHBondContact O-CG1 3.27Å; M78-I81 PolarHBondContact O-N 2.83Å; M78-I81 VanDerWaalsContact O-N 3.08Å; M78-I81 HydrophobicContact SD-CG1 4.31Å; M78-I86 HydrophobicContact CB-CD1 3.84Å; M78-I86 HydrophobicContact CG-CD1 4.39Å
79	E	92	Very high	95.5	Very high	172 Å²	172	67.9 Å²	67.9	80%	0.804	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	137.9	177.4	-167.5	177.2	-172.3	0	0	111.6	P75 E76 I81	P75-E79 PolarHBondContact O-N 3.33Å; E76-E79 PolarHBondContact O-N 2.63Å; E79-I81 PolarHBondContact O-N 2.84Å
80	G	92.2	Very high	95.4	Very high	81 Å²	81	70.2 Å²	70.2	84%	0.835	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-6.1	-175.1	0	0	0	0	0	114.8	M78	M78-G80 PolarHBondContact O-N 3.29Å
81	I	94.6	Very high	95.3	Very high	78 Å²	78	74.2 Å²	74.2	40%	0.4	43%	0.426	S	S	.	.			trans	-77.6	133.1	168.5	-58.2	-61.4	0	0	0	109.3	M78 E79 I86	M78-I81 HydrophobicContact CB-CB 4.43Å; M78-I81 HydrophobicContact CB-CG1 4.23Å; M78-I81 WeakPolarHBondContact O-CB 3.29Å; M78-I81 VanDerWaalsContact O-CG1 3.29Å; M78-I81 WeakPolarHBondContact O-CG1 3.27Å; M78-I81 PolarHBondContact O-N 2.83Å; M78-I81 VanDerWaalsContact O-N 3.08Å; M78-I81 HydrophobicContact SD-CG1 4.31Å; E79-I81 PolarHBondContact O-N 2.84Å; I81-I86 HydrophobicContact CB-CD1 4.18Å; I81-I86 HydrophobicContact CG2-CD1 3.92Å
82	G	95.1	Very high	95.4	Very high	23 Å²	23	73.3 Å²	73.3	24%	0.237	41%	0.412	C	S	.	.			trans	-64	147.4	179.4	0	0	0	0	0	112.9	E84 S85	G82-E84 VanDerWaalsContact C-OE2 3.22Å; G82-E84 WeakPolarHBondContact CA-OE2 3.41Å; G82-E84 PolarHBondContact O-N 3.45Å; G82-S85 PolarHBondContact O-N 3.19Å
83	P	96.9	Very high	95.4	Very high	31 Å²	31	69.2 Å²	69.2	20%	0.201	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-14.4	-177.2	27	-36.1	0	0	0	113.7	L47 N48 Y70 S85	L47-P83 HydrophobicContact CB-CB 4.18Å; L47-P83 WeakPolarHBondContact CB-O 3.31Å; L47-P83 HydrophobicContact CD2-CB 4.26Å; L47-P83 HydrophobicContact CG-CB 4.11Å; L47-P83 PolarHBondContact N-O 3.09Å; N48-P83 HydrophobicContact CB-CB 4.21Å; N48-P83 HydrophobicContact CB-CG 4.3Å; N48-P83 PolarHBondContact N-O 2.92Å; Y70-P83 HydrophobicContact CD1-CB 3.96Å; Y70-P83 HydrophobicContact CD2-CB 4.18Å; Y70-P83 HydrophobicContact CD2-CG 3.91Å; Y70-P83 HydrophobicContact CE1-CB 4.23Å; Y70-P83 HydrophobicContact CE2-CB 4.43Å; Y70-P83 HydrophobicContact CE2-CG 4.06Å; Y70-P83 HydrophobicContact CG-CB 3.92Å; Y70-P83 HydrophobicContact CG-CG 4.17Å; P83-S85 PolarHBondContact O-N 2.78Å
84	E	95.8	Very high	95.5	Very high	110 Å²	110	68.7 Å²	68.7	51%	0.514	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-19.5	170.9	68.6	-82.4	-169.5	0	0	114.1	T46 N48 G82	T46-E84 VanDerWaalsContact CG2-O 3.24Å; T46-E84 WeakPolarHBondContact CG2-O 3.15Å; N48-E84 WeakPolarHBondContact ND2-CB 3.43Å; G82-E84 VanDerWaalsContact C-OE2 3.22Å; G82-E84 WeakPolarHBondContact CA-OE2 3.41Å; G82-E84 PolarHBondContact O-N 3.45Å
85	S	95.5	Very high	95.4	Very high	82 Å²	82	72 Å²	72	57%	0.573	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	-12.1	-179.6	-61.5	0	0	0	0	113.2	G82 P83	G82-S85 PolarHBondContact O-N 3.19Å; P83-S85 PolarHBondContact O-N 2.78Å
86	I	96.9	Very high	95.5	Very high	12 Å²	12	69.5 Å²	69.5	6%	0.062	39%	0.387	C	S	.	.			trans	-83.1	119.9	176.5	-52.6	-54.4	0	0	0	109.1	T46 L47 T74 M78 I81	T46-I86 CarbonylContact C-O 3.46Å; T46-I86 VanDerWaalsContact CA-O 3.23Å; T46-I86 WeakPolarHBondContact CA-O 3.02Å; L47-I86 HydrophobicContact CB-CB 3.93Å; L47-I86 HydrophobicContact CB-CG2 4.22Å; L47-I86 HydrophobicContact CD2-CB 4.09Å; L47-I86 HydrophobicContact CD2-CG1 4.44Å; L47-I86 HydrophobicContact CD2-CG2 4.02Å; L47-I86 PolarHBondContact N-O 2.92Å; T74-I86 HydrophobicContact CG2-CD1 4.21Å; T74-I86 HydrophobicContact CG2-CG1 4.37Å; M78-I86 HydrophobicContact CB-CD1 3.84Å; M78-I86 HydrophobicContact CG-CD1 4.39Å; I81-I86 HydrophobicContact CB-CD1 4.18Å; I81-I86 HydrophobicContact CG2-CD1 3.92Å
87	A	96.2	Very high	95.6	Very high	42 Å²	42	60.7 Å²	60.7	35%	0.347	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	114.2	-175.9	0	0	0	0	0	111.6	K44	K44-A87 HydrophobicContact CB-CB 4.1Å; K44-A87 HydrophobicContact CD-CB 3.84Å
88	L	97	Very high	95.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	138.2	176.5	-58	174	0	0	0	110.8	Y34 K44 V45 L47 I50 Q92 I96	Y34-L88 PolarHBondContact OH-O 3.41Å; K44-L88 WeakPolarHBondContact CB-O 3.38Å; V45-L88 PolarHBondContact N-O 2.67Å; V45-L88 PolarHBondContact O-N 3.4Å; L47-L88 HydrophobicContact CB-CD1 4.39Å; L47-L88 HydrophobicContact CB-CG 4.35Å; L47-L88 HydrophobicContact CD1-CD1 3.85Å; L47-L88 HydrophobicContact CD1-CD2 4.19Å; L47-L88 HydrophobicContact CD1-CG 4.33Å; I50-L88 HydrophobicContact CD1-CD1 3.79Å; I50-L88 HydrophobicContact CG1-CD1 3.96Å; L88-Q92 HydrophobicContact CB-CB 4.43Å; L88-Q92 HydrophobicContact CD2-CB 4.06Å; L88-I96 HydrophobicContact CD1-CD1 3.62Å; L88-I96 HydrophobicContact CD2-CD1 4.16Å
89	D	94.5	Very high	95.5	Very high	56 Å²	56	57 Å²	57	30%	0.299	33%	0.329	S	S	.	.			trans	-81.4	-180	161.2	62.4	41.8	0	0	0	111.7	D91 Q92 F93	D89-D91 VanDerWaalsContact C-N 3.32Å; D89-D91 PolarHBondContact O-N 3.39Å; D89-D91 PolarHBondContact OD1-N 3.47Å; D89-Q92 WeakPolarHBondContact OD1-CG 3.48Å; D89-Q92 PolarHBondContact OD1-N 2.81Å; D89-F93 WeakPolarHBondContact O-CB 3.47Å; D89-F93 PolarHBondContact O-N 2.94Å
90	L	95.1	Very high	95.6	Very high	48 Å²	48	50.1 Å²	50.1	25%	0.251	30%	0.295	S	S	.	.	H	α-helix	trans	-67.2	-33.3	-176.3	-178.9	60.8	0	0	0	112.3	Y34 T94	Y34-L90 HydrophobicContact CD1-CD1 3.97Å; Y34-L90 HydrophobicContact CD2-CD1 4.03Å; Y34-L90 HydrophobicContact CE1-CB 4.44Å; Y34-L90 HydrophobicContact CE1-CD1 4.5Å; Y34-L90 HydrophobicContact CE2-CB 4.45Å; Y34-L90 HydrophobicContact CG-CD1 3.7Å; L90-T94 VanDerWaalsContact O-CB 3.23Å; L90-T94 WeakPolarHBondContact O-CB 3.33Å; L90-T94 PolarHBondContact O-N 3Å; L90-T94 PolarHBondContact O-OG1 3.19Å
91	D	95.8	Very high	95.7	Very high	127 Å²	127	46.3 Å²	46.3	68%	0.679	26%	0.256	S	S	*	.	H	α-helix	trans	-73.4	-48.9	-175.8	-65.2	-19.7	0	0	0	109.6	D89 F93 T94 E95	D89-D91 VanDerWaalsContact C-N 3.32Å; D89-D91 PolarHBondContact O-N 3.39Å; D89-D91 PolarHBondContact OD1-N 3.47Å; D91-F93 VanDerWaalsContact C-N 3.32Å; D91-F93 PolarHBondContact O-N 2.92Å; D91-T94 PolarHBondContact O-N 2.64Å; D91-T94 VanDerWaalsContact O-N 3.15Å; D91-E95 PolarHBondContact O-N 2.96Å
92	Q	96.5	Very high	95.5	Very high	68 Å²	68	46.7 Å²	46.7	32%	0.318	25%	0.253	S	S	.	.	H	α-helix	trans	-58.3	-45.3	173.8	-65.2	176.4	-47	0	0	111.4	L88 D89 T94 E95 I96	L88-Q92 HydrophobicContact CB-CB 4.43Å; L88-Q92 HydrophobicContact CD2-CB 4.06Å; D89-Q92 WeakPolarHBondContact OD1-CG 3.48Å; D89-Q92 PolarHBondContact OD1-N 2.81Å; Q92-T94 VanDerWaalsContact C-N 3.34Å; Q92-T94 PolarHBondContact O-N 3.38Å; Q92-E95 PolarHBondContact O-N 2.85Å; Q92-I96 VanDerWaalsContact O-CG1 3.27Å; Q92-I96 WeakPolarHBondContact O-CG1 3.28Å; Q92-I96 PolarHBondContact O-N 3.06Å; Q92-I96 VanDerWaalsContact O-N 3.07Å
93	F	97.4	Very high	95.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-43.4	176.7	-179.1	-90.8	0	0	0	111.8	I30 I33 Y34 V45 I50 C53 D89 D91 I96 I97	I30-F93 HydrophobicContact CG2-CD1 3.77Å; I30-F93 HydrophobicContact CG2-CE1 3.77Å; I33-F93 HydrophobicContact CG2-CZ 4.24Å; Y34-F93 HydrophobicContact CD2-CB 3.68Å; Y34-F93 AromaticContact CD2-CD1 3.67Å; Y34-F93 HydrophobicContact CD2-CD1 3.67Å; Y34-F93 AromaticContact CD2-CD2 3.9Å; Y34-F93 HydrophobicContact CD2-CD2 3.9Å; Y34-F93 HydrophobicContact CD2-CE1 4.19Å; Y34-F93 HydrophobicContact CD2-CE2 4.4Å; Y34-F93 AromaticContact CD2-CG 3.49Å; Y34-F93 HydrophobicContact CD2-CG 3.49Å; Y34-F93 VanDerWaalsContact CD2-CG 3.49Å; Y34-F93 HydrophobicContact CE2-CB 3.9Å; Y34-F93 HydrophobicContact CE2-CG 4.17Å; Y34-F93 HydrophobicContact CG-CD1 4.27Å; Y34-F93 HydrophobicContact CG-CG 4.49Å; V45-F93 HydrophobicContact CB-CD2 4.31Å; V45-F93 HydrophobicContact CG1-CD2 4.18Å; V45-F93 HydrophobicContact CG1-CE2 4.05Å; I50-F93 HydrophobicContact CD1-CD2 3.69Å; I50-F93 HydrophobicContact CD1-CE2 3.88Å; C53-F93 HydrophobicContact CB-CE2 4.22Å; C53-F93 HydrophobicContact CB-CZ 4.1Å; C53-F93 WeakPolarHBondContact SG-CZ 3.45Å; D89-F93 WeakPolarHBondContact O-CB 3.47Å; D89-F93 PolarHBondContact O-N 2.94Å; D91-F93 VanDerWaalsContact C-N 3.32Å; D91-F93 PolarHBondContact O-N 2.92Å; F93-I96 PolarHBondContact O-N 3.45Å; F93-I97 HydrophobicContact CD1-CG1 3.98Å; F93-I97 HydrophobicContact CD2-CG1 4.45Å; F93-I97 HydrophobicContact CE1-CG1 3.68Å; F93-I97 HydrophobicContact CE2-CD1 4.48Å; F93-I97 HydrophobicContact CE2-CG1 4.18Å; F93-I97 HydrophobicContact CG-CG1 4.36Å; F93-I97 HydrophobicContact CZ-CD1 4.36Å; F93-I97 HydrophobicContact CZ-CG1 3.8Å; F93-I97 WeakPolarHBondContact O-CB 3.5Å; F93-I97 VanDerWaalsContact O-CG1 3.29Å; F93-I97 WeakPolarHBondContact O-CG1 3Å; F93-I97 PolarHBondContact O-N 2.89Å
94	T	96.5	Very high	95.1	Very high	22 Å²	22	51.3 Å²	51.3	14%	0.135	26%	0.264	C	S	.	.	H	α-helix	trans	-62.4	-44.5	179.7	-63.6	0	0	0	0	111.2	I30 L90 D91 Q92 I97 Q98	I30-T94 HydrophobicContact CD1-CG2 3.99Å; I30-T94 HydrophobicContact CG2-CG2 4.39Å; L90-T94 VanDerWaalsContact O-CB 3.23Å; L90-T94 WeakPolarHBondContact O-CB 3.33Å; L90-T94 PolarHBondContact O-N 3Å; L90-T94 PolarHBondContact O-OG1 3.19Å; D91-T94 PolarHBondContact O-N 2.64Å; D91-T94 VanDerWaalsContact O-N 3.15Å; Q92-T94 VanDerWaalsContact C-N 3.34Å; Q92-T94 PolarHBondContact O-N 3.38Å; T94-I97 PolarHBondContact O-N 3.2Å; T94-Q98 HydrophobicContact CG2-CG 4.31Å; T94-Q98 WeakPolarHBondContact O-CB 3.29Å; T94-Q98 VanDerWaalsContact O-CG 3.32Å; T94-Q98 WeakPolarHBondContact O-CG 3.35Å; T94-Q98 PolarHBondContact O-N 3.44Å
95	E	95.7	Very high	94.9	Very high	104 Å²	104	52.2 Å²	52.2	49%	0.486	27%	0.268	S	S	.	.	H	α-helix	trans	-59.6	-48.8	176.8	-170.3	-170.5	125.1	0	0	111.9	Y73 D91 Q92 I97 Q98 T99	Y73-E95 PolarHBondContact OH-OE1 2.98Å; D91-E95 PolarHBondContact O-N 2.96Å; Q92-E95 PolarHBondContact O-N 2.85Å; E95-I97 PolarHBondContact O-N 3.29Å; E95-Q98 PolarHBondContact O-N 3.47Å; E95-T99 VanDerWaalsContact O-CB 3.29Å; E95-T99 WeakPolarHBondContact O-CB 3.33Å; E95-T99 PolarHBondContact O-N 3.28Å; E95-T99 PolarHBondContact O-OG1 3.12Å
96	I	97	Very high	94.8	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-50.5	177.6	-65.1	163.6	0	0	0	110.1	L47 I50 I69 Y73 L88 Q92 F93 Q98 T99 Y100	L47-I96 HydrophobicContact CD1-CD1 4.23Å; I50-I96 HydrophobicContact CD1-CB 4.25Å; I50-I96 HydrophobicContact CD1-CD1 4.08Å; I50-I96 HydrophobicContact CD1-CG2 3.81Å; I50-I96 HydrophobicContact CG1-CD1 4.28Å; I50-I96 HydrophobicContact CG1-CG2 4.1Å; I50-I96 HydrophobicContact CG2-CG2 3.74Å; I69-I96 HydrophobicContact CD1-CG2 4.34Å; I69-I96 HydrophobicContact CG2-CD1 4.37Å; I69-I96 HydrophobicContact CG2-CG2 3.95Å; Y73-I96 HydrophobicContact CD1-CD1 3.72Å; Y73-I96 HydrophobicContact CD1-CG1 3.85Å; Y73-I96 HydrophobicContact CD2-CD1 3.86Å; Y73-I96 HydrophobicContact CD2-CG1 3.74Å; Y73-I96 HydrophobicContact CE1-CD1 3.96Å; Y73-I96 HydrophobicContact CE1-CG1 3.55Å; Y73-I96 HydrophobicContact CE2-CD1 4.09Å; Y73-I96 HydrophobicContact CE2-CG1 3.42Å; Y73-I96 VanDerWaalsContact CE2-CG1 3.42Å; Y73-I96 HydrophobicContact CG-CD1 3.67Å; Y73-I96 HydrophobicContact CG-CG1 3.94Å; L88-I96 HydrophobicContact CD1-CD1 3.62Å; L88-I96 HydrophobicContact CD2-CD1 4.16Å; Q92-I96 VanDerWaalsContact O-CG1 3.27Å; Q92-I96 WeakPolarHBondContact O-CG1 3.28Å; Q92-I96 PolarHBondContact O-N 3.06Å; Q92-I96 VanDerWaalsContact O-N 3.07Å; F93-I96 PolarHBondContact O-N 3.45Å; I96-Q98 PolarHBondContact O-N 3.01Å; I96-T99 PolarHBondContact O-N 3.35Å; I96-Y100 HydrophobicContact CG2-CD2 4.02Å; I96-Y100 WeakPolarHBondContact O-CD2 3.44Å; I96-Y100 PolarHBondContact O-N 3.35Å
97	I	96	Very high	94.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.2	-37.7	-175.9	-63.4	-47	0	0	0	111.3	L25 I30 I50 C53 L54 L57 F93 T94 E95 T99 S101	L25-I97 HydrophobicContact CD1-CG2 3.71Å; I30-I97 HydrophobicContact CG1-CG2 4.27Å; I50-I97 HydrophobicContact CD1-CD1 4.02Å; I50-I97 HydrophobicContact CG2-CD1 4.44Å; C53-I97 HydrophobicContact CB-CD1 3.93Å; C53-I97 WeakPolarHBondContact SG-CD1 3.32Å; L54-I97 HydrophobicContact CD2-CD1 4.17Å; L54-I97 HydrophobicContact CG-CD1 4.49Å; L57-I97 HydrophobicContact CD1-CG2 3.72Å; F93-I97 HydrophobicContact CD1-CG1 3.98Å; F93-I97 HydrophobicContact CD2-CG1 4.45Å; F93-I97 HydrophobicContact CE1-CG1 3.68Å; F93-I97 HydrophobicContact CE2-CD1 4.48Å; F93-I97 HydrophobicContact CE2-CG1 4.18Å; F93-I97 HydrophobicContact CG-CG1 4.36Å; F93-I97 HydrophobicContact CZ-CD1 4.36Å; F93-I97 HydrophobicContact CZ-CG1 3.8Å; F93-I97 WeakPolarHBondContact O-CB 3.5Å; F93-I97 VanDerWaalsContact O-CG1 3.29Å; F93-I97 WeakPolarHBondContact O-CG1 3Å; F93-I97 PolarHBondContact O-N 2.89Å; T94-I97 PolarHBondContact O-N 3.2Å; E95-I97 PolarHBondContact O-N 3.29Å; I97-T99 VanDerWaalsContact C-N 3.33Å; I97-S101 WeakPolarHBondContact O-CB 3.18Å; I97-S101 PolarHBondContact O-N 3.29Å; I97-S101 PolarHBondContact O-OG 3.41Å
98	Q	94.4	Very high	94.5	Very high	71 Å²	71	51.2 Å²	51.2	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-36.3	174	-74.5	-175.9	-2.7	0	0	112.3	R19 I24 I30 T94 E95 I96	R19-Q98 PolarHBondContact NH1-O 2.94Å; R19-Q98 PolarHBondContact NH2-O 3.47Å; I24-Q98 HydrophobicContact CG2-CG 4.47Å; I30-Q98 HydrophobicContact CD1-CG 3.75Å; T94-Q98 HydrophobicContact CG2-CG 4.31Å; T94-Q98 WeakPolarHBondContact O-CB 3.29Å; T94-Q98 VanDerWaalsContact O-CG 3.32Å; T94-Q98 WeakPolarHBondContact O-CG 3.35Å; T94-Q98 PolarHBondContact O-N 3.44Å; E95-Q98 PolarHBondContact O-N 3.47Å; I96-Q98 PolarHBondContact O-N 3.01Å
99	T	94.1	Very high	94.3	Very high	70 Å²	70	54.7 Å²	54.7	43%	0.429	27%	0.265	S	S	.	.	H	α-helix	trans	-73.6	-41.6	-178.1	-60	0	0	0	0	112.6	R19 E95 I96 I97	R19-T99 PolarHBondContact NH2-O 3.22Å; E95-T99 VanDerWaalsContact O-CB 3.29Å; E95-T99 WeakPolarHBondContact O-CB 3.33Å; E95-T99 PolarHBondContact O-N 3.28Å; E95-T99 PolarHBondContact O-OG1 3.12Å; I96-T99 PolarHBondContact O-N 3.35Å; I97-T99 VanDerWaalsContact C-N 3.33Å
100	Y	94.9	Very high	94.2	Very high	27 Å²	27	57.2 Å²	57.2	11%	0.106	28%	0.275	C	S	.	.	H	α-helix	trans	-105.8	-1.9	-171.4	-66.2	-83.5	0	0	0	114	Q59 T65 K68 I69 I96	Q59-Y100 PolarHBondContact NE2-O 3.35Å; T65-Y100 HydrophobicContact CG2-CD1 3.6Å; T65-Y100 HydrophobicContact CG2-CE1 3.94Å; K68-Y100 PolarHBondContact NZ-OH 2.88Å; I69-Y100 HydrophobicContact CD1-CD1 3.88Å; I69-Y100 HydrophobicContact CD1-CD2 3.71Å; I69-Y100 HydrophobicContact CD1-CE1 4.12Å; I69-Y100 HydrophobicContact CD1-CE2 3.98Å; I69-Y100 HydrophobicContact CD1-CG 3.66Å; I69-Y100 HydrophobicContact CG1-CD1 4.15Å; I69-Y100 HydrophobicContact CG1-CD2 3.72Å; I69-Y100 HydrophobicContact CG1-CE1 3.88Å; I69-Y100 HydrophobicContact CG1-CE2 3.44Å; I69-Y100 VanDerWaalsContact CG1-CE2 3.44Å; I69-Y100 HydrophobicContact CG1-CG 4.07Å; I96-Y100 HydrophobicContact CG2-CD2 4.02Å; I96-Y100 WeakPolarHBondContact O-CD2 3.44Å; I96-Y100 PolarHBondContact O-N 3.35Å
101	S	93.3	Very high	94.2	Very high	2 Å²	2	57.2 Å²	57.2	1%	0.014	28%	0.275	C	S	.	.			trans	-82.1	148	169.5	66.3	0	0	0	0	112.2	R19 L25 I97	R19-S101 PolarHBondContact NH1-O 3.3Å; R19-S101 PolarHBondContact NH2-O 3.41Å; L25-S101 WeakPolarHBondContact CD1-OG 3.31Å; I97-S101 WeakPolarHBondContact O-CB 3.18Å; I97-S101 PolarHBondContact O-N 3.29Å; I97-S101 PolarHBondContact O-OG 3.41Å
102	Y	91.8	Very high	94.1	Very high	86 Å²	86	53.4 Å²	53.4	34%	0.337	25%	0.254	S	S	.	.			trans	-122.5	137.4	175.5	-59.6	-65.8	0	0	0	109.3	Q59 E106 R107	Q59-Y102 HydrophobicContact CG-CD2 4.44Å; Q59-Y102 VanDerWaalsContact NE2-CD2 3.32Å; Y102-E106 WeakPolarHBondContact CA-OE2 3.18Å; Y102-E106 HydrophobicContact CD1-CB 4.31Å; Y102-R107 HydrophobicContact CG-CG 4.46Å; Y102-R107 PolarHBondContact O-NH1 3.14Å
103	T	91.8	Very high	94	Very high	35 Å²	35	55.3 Å²	55.3	22%	0.215	27%	0.267	C	S	.	.			trans	-59.2	163	164.9	63.2	0	0	0	0	111	Q23 E105 E106 R107	Q23-T103 HydrophobicContact CB-CG2 3.85Å; Q23-T103 HydrophobicContact CG-CG2 4.03Å; T103-E105 PolarHBondContact O-N 3Å; T103-E106 WeakPolarHBondContact CB-OE2 3.43Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.4Å; T103-E106 PolarHBondContact N-OE2 3.13Å; T103-E106 PolarHBondContact O-N 2.88Å; T103-E106 WeakPolarHBondContact OG1-CB 3.35Å; T103-E106 VanDerWaalsContact OG1-CD 3.27Å; T103-E106 VanDerWaalsContact OG1-CG 3.25Å; T103-E106 WeakPolarHBondContact OG1-CG 3.39Å; T103-E106 PolarHBondContact OG1-N 3.48Å; T103-E106 VanDerWaalsContact OG1-N 3.15Å; T103-E106 PolarHBondContact OG1-OE2 3.34Å; T103-R107 WeakPolarHBondContact O-CG 3.32Å; T103-R107 PolarHBondContact O-N 2.98Å; T103-R107 VanDerWaalsContact O-N 3.08Å; T103-R107 PolarHBondContact O-NH1 2.82Å
104	R	90.7	Very high	93.8	Very high	116 Å²	116	57.9 Å²	57.9	44%	0.438	29%	0.288	S	S	.	.	H	α-helix	trans	-57.1	-39.9	174.9	-171.9	-176	176.9	-82.2	-2.6	112	R107 L108 V172 D173	R104-R107 PolarHBondContact O-N 2.65Å; R104-L108 WeakPolarHBondContact O-CB 2.95Å; R104-L108 PolarHBondContact O-N 3.22Å; R104-V172 HydrophobicContact CG-CG1 3.61Å; R104-D173 IonicContact CZ-OD1 2.82Å; R104-D173 VanDerWaalsContact CZ-OD1 3.25Å; R104-D173 IonicContact CZ-OD2 2.65Å; R104-D173 IonicContact NE-OD1 3.83Å; R104-D173 PolarHBondContact NE-OD1 2.92Å; R104-D173 IonicContact NE-OD2 2.7Å; R104-D173 VanDerWaalsContact NH2-CG 3.28Å; R104-D173 IonicContact NH2-OD1 2.7Å; R104-D173 PolarHBondContact NH2-OD1 2.69Å; R104-D173 IonicContact NH2-OD2 3.56Å; R104-D173 PolarHBondContact NH2-OD2 3.37Å
105	E	92.1	Very high	93.7	Very high	129 Å²	129	57.1 Å²	57.1	60%	0.603	28%	0.283	S	S	*	.	H	α-helix	trans	-67.6	-44.3	-179.8	-175.2	175.8	-179	0	0	111.8	T103 R107 L108 N109	T103-E105 PolarHBondContact O-N 3Å; E105-R107 VanDerWaalsContact C-N 3.33Å; E105-R107 PolarHBondContact O-N 3.08Å; E105-L108 WeakPolarHBondContact O-CB 3.44Å; E105-L108 PolarHBondContact O-N 2.95Å; E105-N109 WeakPolarHBondContact O-CB 3.38Å; E105-N109 PolarHBondContact O-N 3.46Å; E105-N109 PolarHBondContact O-ND2 3.4Å
106	E	93	Very high	93.7	Very high	47 Å²	47	55 Å²	55	22%	0.22	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-41.9	175.5	-72.8	162.1	145.4	0	0	111.9	Y102 T103 N109 Q110	Y102-E106 WeakPolarHBondContact CA-OE2 3.18Å; Y102-E106 HydrophobicContact CD1-CB 4.31Å; T103-E106 WeakPolarHBondContact CB-OE2 3.43Å; T103-E106 WeakPolarHBondContact CG2-OE2 3.4Å; T103-E106 PolarHBondContact N-OE2 3.13Å; T103-E106 PolarHBondContact O-N 2.88Å; T103-E106 WeakPolarHBondContact OG1-CB 3.35Å; T103-E106 VanDerWaalsContact OG1-CD 3.27Å; T103-E106 VanDerWaalsContact OG1-CG 3.25Å; T103-E106 WeakPolarHBondContact OG1-CG 3.39Å; T103-E106 PolarHBondContact OG1-N 3.48Å; T103-E106 VanDerWaalsContact OG1-N 3.15Å; T103-E106 PolarHBondContact OG1-OE2 3.34Å; E106-N109 PolarHBondContact O-N 3.23Å; E106-Q110 WeakPolarHBondContact O-CB 3.5Å; E106-Q110 PolarHBondContact O-N 2.81Å
107	R	92.6	Very high	93.5	Very high	30 Å²	30	61 Å²	61	11%	0.113	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-40.6	175.3	-65.3	-167.2	-48.8	-89.9	6.2	112.5	N58 Y102 T103 R104 E105 Q110 L111 V172	N58-R107 PolarHBondContact O-NE 3.2Å; Y102-R107 HydrophobicContact CG-CG 4.46Å; Y102-R107 PolarHBondContact O-NH1 3.14Å; T103-R107 WeakPolarHBondContact O-CG 3.32Å; T103-R107 PolarHBondContact O-N 2.98Å; T103-R107 VanDerWaalsContact O-N 3.08Å; T103-R107 PolarHBondContact O-NH1 2.82Å; R104-R107 PolarHBondContact O-N 2.65Å; E105-R107 VanDerWaalsContact C-N 3.33Å; E105-R107 PolarHBondContact O-N 3.08Å; R107-Q110 PolarHBondContact O-N 2.86Å; R107-L111 PolarHBondContact O-N 2.79Å; R107-V172 HydrophobicContact CB-CG1 4.28Å; R107-V172 PolarHBondContact NH2-O 3.03Å
108	L	93.7	Very high	93.5	Very high	37 Å²	37	63.5 Å²	63.5	19%	0.194	31%	0.312	C	S	.	.	H	α-helix	trans	-61.3	-46.9	175.8	178.6	63.5	0	0	0	111	R104 E105 L111 N112 V168 K169 V172	R104-L108 WeakPolarHBondContact O-CB 2.95Å; R104-L108 PolarHBondContact O-N 3.22Å; E105-L108 WeakPolarHBondContact O-CB 3.44Å; E105-L108 PolarHBondContact O-N 2.95Å; L108-L111 PolarHBondContact O-N 2.87Å; L108-N112 WeakPolarHBondContact O-CB 3.47Å; L108-N112 VanDerWaalsContact O-CG 3.29Å; L108-N112 PolarHBondContact O-N 2.79Å; L108-N112 PolarHBondContact O-ND2 3.33Å; L108-V168 HydrophobicContact CD1-CG1 3.83Å; L108-K169 HydrophobicContact CD1-CG 4.48Å; L108-V172 HydrophobicContact CB-CG1 4.42Å; L108-V172 HydrophobicContact CB-CG2 3.94Å; L108-V172 HydrophobicContact CD1-CG2 3.88Å
109	N	94.1	Very high	93.5	Very high	74 Å²	74	60.3 Å²	60.3	40%	0.396	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-42	178.5	-67.1	-18.1	0	0	0	111.5	E105 E106 L111 N112 N113	E105-N109 WeakPolarHBondContact O-CB 3.38Å; E105-N109 PolarHBondContact O-N 3.46Å; E105-N109 PolarHBondContact O-ND2 3.4Å; E106-N109 PolarHBondContact O-N 3.23Å; N109-L111 PolarHBondContact O-N 3.48Å; N109-N112 PolarHBondContact O-N 3.16Å; N109-N113 WeakPolarHBondContact O-CB 3.33Å; N109-N113 PolarHBondContact O-N 3.41Å; N109-N113 PolarHBondContact O-ND2 2.94Å
110	Q	92.7	Very high	93.4	Very high	108 Å²	108	65.5 Å²	65.5	51%	0.505	31%	0.314	S	S	.	.	H	α-helix	trans	-60.1	-47.1	176.4	-174.2	-179.1	39.5	0	0	111.8	E106 R107 N113 A114	E106-Q110 WeakPolarHBondContact O-CB 3.5Å; E106-Q110 PolarHBondContact O-N 2.81Å; R107-Q110 PolarHBondContact O-N 2.86Å; Q110-N113 PolarHBondContact O-N 3.37Å; Q110-A114 PolarHBondContact O-N 3.16Å
111	L	93.6	Very high	93.4	Very high	48 Å²	48	71.3 Å²	71.3	25%	0.251	35%	0.347	S	S	.	.	H	α-helix	trans	-67.3	-43.7	178.1	-75.2	177.2	0	0	0	111.7	R107 L108 N109 N113 A114 F115 V168 L171 V172	R107-L111 PolarHBondContact O-N 2.79Å; L108-L111 PolarHBondContact O-N 2.87Å; N109-L111 PolarHBondContact O-N 3.48Å; L111-N113 VanDerWaalsContact C-N 3.31Å; L111-N113 PolarHBondContact O-N 3.09Å; L111-A114 WeakPolarHBondContact O-CB 3.4Å; L111-A114 PolarHBondContact O-N 3.4Å; L111-A114 VanDerWaalsContact O-N 3.09Å; L111-F115 WeakPolarHBondContact O-CD2 3.4Å; L111-F115 PolarHBondContact O-N 2.96Å; L111-V168 HydrophobicContact CB-CG1 3.63Å; L111-V168 HydrophobicContact CD1-CG1 4.38Å; L111-L171 HydrophobicContact CD1-CB 3.71Å; L111-L171 HydrophobicContact CD1-CD1 4.45Å; L111-V172 HydrophobicContact CD1-CG2 3.71Å
112	N	94.4	Very high	93.4	Very high	47 Å²	47	78.6 Å²	78.6	25%	0.251	38%	0.38	S	S	.	.	H	α-helix	trans	-55.5	-47.9	175	-76.7	-25.3	0	0	0	111.3	L108 N109 A114 F115 L116 V168	L108-N112 WeakPolarHBondContact O-CB 3.47Å; L108-N112 VanDerWaalsContact O-CG 3.29Å; L108-N112 PolarHBondContact O-N 2.79Å; L108-N112 PolarHBondContact O-ND2 3.33Å; N109-N112 PolarHBondContact O-N 3.16Å; N112-A114 VanDerWaalsContact C-N 3.28Å; N112-A114 PolarHBondContact O-N 3.35Å; N112-F115 PolarHBondContact O-N 2.77Å; N112-F115 VanDerWaalsContact O-N 3.08Å; N112-L116 WeakPolarHBondContact O-CG 3.33Å; N112-L116 PolarHBondContact O-N 3.14Å; N112-V168 WeakPolarHBondContact OD1-CG1 3.4Å
113	N	94.1	Very high	93.6	Very high	108 Å²	108	78 Å²	78	58%	0.578	39%	0.389	S	S	*	.	H	α-helix	trans	-60.7	-37.3	177.4	-70.1	-11.5	0	0	0	112.4	N109 Q110 L111 F115 L116	N109-N113 WeakPolarHBondContact O-CB 3.33Å; N109-N113 PolarHBondContact O-N 3.41Å; N109-N113 PolarHBondContact O-ND2 2.94Å; Q110-N113 PolarHBondContact O-N 3.37Å; L111-N113 VanDerWaalsContact C-N 3.31Å; L111-N113 PolarHBondContact O-N 3.09Å; N113-F115 VanDerWaalsContact C-N 3.34Å; N113-L116 PolarHBondContact O-N 3.47Å
114	A	93	Very high	93.8	Very high	54 Å²	54	77 Å²	77	45%	0.446	39%	0.385	S	S	.	.	H	α-helix	trans	-64.9	-37.1	175	0	0	0	0	0	112.3	Q110 L111 N112 F117	Q110-A114 PolarHBondContact O-N 3.16Å; L111-A114 WeakPolarHBondContact O-CB 3.4Å; L111-A114 PolarHBondContact O-N 3.4Å; L111-A114 VanDerWaalsContact O-N 3.09Å; N112-A114 VanDerWaalsContact C-N 3.28Å; N112-A114 PolarHBondContact O-N 3.35Å; A114-F117 VanDerWaalsContact O-CB 3.31Å; A114-F117 WeakPolarHBondContact O-CB 3.29Å; A114-F117 PolarHBondContact O-N 3.1Å
115	F	95.3	Very high	94.1	Very high	7 Å²	7	74.1 Å²	74.1	3%	0.031	38%	0.381	C	S	.	.	H	α-helix	trans	-73.4	-32.1	176	-85.1	-97.7	0	0	0	113	L111 N112 N113 F117 F118 D119 V126 M131 F150 W162 Y164 F167 V168 L171	L111-F115 WeakPolarHBondContact O-CD2 3.4Å; L111-F115 PolarHBondContact O-N 2.96Å; N112-F115 PolarHBondContact O-N 2.77Å; N112-F115 VanDerWaalsContact O-N 3.08Å; N113-F115 VanDerWaalsContact C-N 3.34Å; F115-F117 PolarHBondContact O-N 2.99Å; F115-F117 VanDerWaalsContact O-N 3.15Å; F115-F118 WeakPolarHBondContact O-CB 3.31Å; F115-F118 PolarHBondContact O-N 2.86Å; F115-D119 PolarHBondContact O-N 3.45Å; F115-V126 HydrophobicContact CD1-CG1 4.14Å; F115-V126 HydrophobicContact CD1-CG2 4.24Å; F115-V126 HydrophobicContact CE1-CG2 4.27Å; F115-M131 HydrophobicContact CD1-CE 4.04Å; F115-M131 HydrophobicContact CE1-CE 3.44Å; F115-M131 VanDerWaalsContact CE1-CE 3.44Å; F115-M131 HydrophobicContact CE1-SD 4.05Å; F115-M131 HydrophobicContact CE2-CE 4.14Å; F115-M131 HydrophobicContact CZ-CE 3.52Å; F115-F150 HydrophobicContact CZ-CZ 4.5Å; F115-W162 AromaticContact CE1-CH2 3.74Å; F115-W162 HydrophobicContact CE1-CH2 3.74Å; F115-W162 HydrophobicContact CE1-CZ2 4.33Å; F115-W162 HydrophobicContact CE1-CZ3 4.41Å; F115-W162 HydrophobicContact CZ-CH2 4.17Å; F115-Y164 HydrophobicContact CB-CD2 3.65Å; F115-Y164 HydrophobicContact CB-CE1 4.38Å; F115-Y164 HydrophobicContact CB-CE2 3.41Å; F115-Y164 VanDerWaalsContact CB-CE2 3.41Å; F115-Y164 HydrophobicContact CB-CG 4.26Å; F115-Y164 AromaticContact CD1-CD1 3.99Å; F115-Y164 HydrophobicContact CD1-CD1 3.99Å; F115-Y164 AromaticContact CD1-CD2 3.48Å; F115-Y164 HydrophobicContact CD1-CD2 3.48Å; F115-Y164 VanDerWaalsContact CD1-CD2 3.48Å; F115-Y164 HydrophobicContact CD1-CE2 4.14Å; F115-Y164 AromaticContact CD1-CG 3.39Å; F115-Y164 HydrophobicContact CD1-CG 3.39Å; F115-Y164 HydrophobicContact CD2-CD2 4.38Å; F115-Y164 HydrophobicContact CE1-CD2 4.18Å; F115-Y164 AromaticContact CE1-CG 3.92Å; F115-Y164 HydrophobicContact CE1-CG 3.92Å; F115-Y164 AromaticContact CG-CD2 3.59Å; F115-Y164 HydrophobicContact CG-CD2 3.59Å; F115-Y164 AromaticContact CG-CE2 3.92Å; F115-Y164 HydrophobicContact CG-CE2 3.92Å; F115-Y164 HydrophobicContact CG-CG 4.01Å; F115-F167 HydrophobicContact CZ-CD1 4.16Å; F115-F167 HydrophobicContact CZ-CE1 4.47Å; F115-V168 HydrophobicContact CD2-CG2 3.44Å; F115-V168 VanDerWaalsContact CD2-CG2 3.44Å; F115-V168 HydrophobicContact CE1-CG2 4.5Å; F115-V168 HydrophobicContact CE2-CG2 3.44Å; F115-V168 VanDerWaalsContact CE2-CG2 3.44Å; F115-V168 HydrophobicContact CG-CG2 4Å; F115-V168 HydrophobicContact CZ-CG2 3.98Å; F115-L171 HydrophobicContact CE2-CD1 4.29Å; F115-L171 HydrophobicContact CZ-CD1 4.48Å
116	L	95.5	Very high	94.3	Very high	59 Å²	59	68.2 Å²	68.2	31%	0.309	35%	0.353	S	S	.	.	H	α-helix	trans	-60.7	-22.1	174.1	-70.8	-178.5	0	0	0	113.4	N112 N113 F118 D119 E122	N112-L116 WeakPolarHBondContact O-CG 3.33Å; N112-L116 PolarHBondContact O-N 3.14Å; N113-L116 PolarHBondContact O-N 3.47Å; L116-F118 PolarHBondContact O-N 3.38Å; L116-D119 CarbonylContact O-C 3.51Å; L116-D119 PolarHBondContact O-N 3.04Å; L116-E122 HydrophobicContact CD2-CG 3.92Å
117	F	93.2	Very high	94.4	Very high	125 Å²	125	68.5 Å²	68.5	55%	0.548	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-38	170.1	-179.5	-97.2	0	0	0	112.3	A114 F115 M134	A114-F117 VanDerWaalsContact O-CB 3.31Å; A114-F117 WeakPolarHBondContact O-CB 3.29Å; A114-F117 PolarHBondContact O-N 3.1Å; F115-F117 PolarHBondContact O-N 2.99Å; F115-F117 VanDerWaalsContact O-N 3.15Å; F117-M134 HydrophobicContact CD1-CE 3.6Å; F117-M134 HydrophobicContact CE1-CE 3.35Å; F117-M134 HydrophobicContact CE1-SD 3.95Å; F117-M134 HydrophobicContact CZ-CE 4.2Å
118	F	94.1	Very high	94.6	Very high	53 Å²	53	67.6 Å²	67.6	23%	0.232	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	-40.1	177.5	-61.1	-79.4	0	0	0	111.8	F115 L116 K120 V126 P130 M131 M134	F115-F118 WeakPolarHBondContact O-CB 3.31Å; F115-F118 PolarHBondContact O-N 2.86Å; L116-F118 PolarHBondContact O-N 3.38Å; F118-K120 PolarHBondContact O-N 2.91Å; F118-V126 HydrophobicContact CB-CB 4.28Å; F118-V126 HydrophobicContact CB-CG1 3.66Å; F118-P130 HydrophobicContact CD1-CB 4.39Å; F118-P130 HydrophobicContact CE1-CB 4.44Å; F118-M131 HydrophobicContact CD1-CB 4.34Å; F118-M131 HydrophobicContact CD2-CE 4.43Å; F118-M131 HydrophobicContact CE1-CB 4.01Å; F118-M131 HydrophobicContact CE1-CG 4.35Å; F118-M131 HydrophobicContact CE2-CE 4.12Å; F118-M131 HydrophobicContact CE2-CG 4.11Å; F118-M131 HydrophobicContact CZ-CB 4.13Å; F118-M131 HydrophobicContact CZ-CG 3.96Å; F118-M134 HydrophobicContact CE1-CB 4.31Å; F118-M134 HydrophobicContact CE1-CE 4.02Å; F118-M134 HydrophobicContact CE1-CG 3.91Å; F118-M134 HydrophobicContact CE2-CE 4.11Å; F118-M134 HydrophobicContact CZ-CB 3.91Å; F118-M134 HydrophobicContact CZ-CE 3.41Å; F118-M134 VanDerWaalsContact CZ-CE 3.41Å; F118-M134 HydrophobicContact CZ-CG 3.88Å; F118-M134 HydrophobicContact CZ-SD 4.47Å
119	D	95.8	Very high	94.6	Very high	5 Å²	5	71.3 Å²	71.3	3%	0.027	37%	0.371	C	S	.	.			trans	-95.4	68.6	-179.5	-175.7	24.9	0	0	0	112.5	F115 L116 N121 E122 S123 G124 V126 Y164	F115-D119 PolarHBondContact O-N 3.45Å; L116-D119 CarbonylContact O-C 3.51Å; L116-D119 PolarHBondContact O-N 3.04Å; D119-N121 PolarHBondContact O-N 2.9Å; D119-N121 VanDerWaalsContact O-N 3.09Å; D119-E122 PolarHBondContact O-N 2.93Å; D119-E122 PolarHBondContact OD1-N 2.86Å; D119-E122 VanDerWaalsContact OD2-C 3.27Å; D119-E122 WeakPolarHBondContact OD2-CA 3.49Å; D119-S123 WeakPolarHBondContact OD1-CB 3.47Å; D119-S123 PolarHBondContact OD1-N 2.94Å; D119-S123 PolarHBondContact OD1-OG 3.02Å; D119-S123 PolarHBondContact OD2-N 3.41Å; D119-G124 WeakPolarHBondContact OD2-CA 3.49Å; D119-G124 PolarHBondContact OD2-N 3.46Å; D119-V126 HydrophobicContact CB-CG1 3.95Å; D119-Y164 HydrophobicContact CB-CE1 3.85Å; D119-Y164 PolarHBondContact OD2-OH 3.43Å
120	K	92.1	Very high	94.6	Very high	178 Å²	178	71.1 Å²	71.1	77%	0.774	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.5	-177.1	-62.3	-178.5	-179	178.1	0	114.6	F118	F118-K120 PolarHBondContact O-N 2.91Å
121	N	93.5	Very high	94.7	Very high	150 Å²	150	66.4 Å²	66.4	80%	0.802	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	3.5	-179.6	-63.4	-27.1	0	0	0	112.3	D119 S123	D119-N121 PolarHBondContact O-N 2.9Å; D119-N121 VanDerWaalsContact O-N 3.09Å; N121-S123 PolarHBondContact O-N 3.43Å
122	E	94.9	Very high	94.8	Very high	154 Å²	154	67.1 Å²	67.1	72%	0.72	35%	0.352	S	S	*	.			trans	52.1	39.3	-176.6	-55.8	-176.5	-176.1	0	0	112.4	L116 D119 G124	L116-E122 HydrophobicContact CD2-CG 3.92Å; D119-E122 PolarHBondContact O-N 2.93Å; D119-E122 PolarHBondContact OD1-N 2.86Å; D119-E122 VanDerWaalsContact OD2-C 3.27Å; D119-E122 WeakPolarHBondContact OD2-CA 3.49Å; E122-G124 VanDerWaalsContact C-N 3.26Å; E122-G124 PolarHBondContact O-N 3.19Å
123	S	96	Very high	94.8	Very high	75 Å²	75	68.7 Å²	68.7	52%	0.524	36%	0.364	S	S	.	.			trans	-75.6	-13.4	179.7	66.7	0	0	0	0	113.9	D119 N121 V125	D119-S123 WeakPolarHBondContact OD1-CB 3.47Å; D119-S123 PolarHBondContact OD1-N 2.94Å; D119-S123 PolarHBondContact OD1-OG 3.02Å; D119-S123 PolarHBondContact OD2-N 3.41Å; N121-S123 PolarHBondContact O-N 3.43Å; S123-V125 PolarHBondContact OG-N 3.07Å; S123-V125 PolarHBondContact OG-O 2.78Å
124	G	95.6	Very high	94.8	Very high	12 Å²	12	66.5 Å²	66.5	12%	0.124	35%	0.351	C	S	.	.	S	Bend	trans	75.2	8.5	-169.6	0	0	0	0	0	113.5	D119 E122 P163 Y164	D119-G124 WeakPolarHBondContact OD2-CA 3.49Å; D119-G124 PolarHBondContact OD2-N 3.46Å; E122-G124 VanDerWaalsContact C-N 3.26Å; E122-G124 PolarHBondContact O-N 3.19Å; G124-P163 VanDerWaalsContact O-CA 3.24Å; G124-P163 WeakPolarHBondContact O-CA 3.5Å; G124-Y164 VanDerWaalsContact C-CD1 3.49Å; G124-Y164 WeakPolarHBondContact O-CD1 3.42Å; G124-Y164 WeakPolarHBondContact O-CE1 3.33Å; G124-Y164 PolarHBondContact O-N 2.89Å; G124-Y164 VanDerWaalsContact O-N 3.16Å
125	V	96.5	Very high	94.8	Very high	57 Å²	57	65.4 Å²	65.4	35%	0.345	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.4	-173.1	179.6	0	0	0	0	110.9	S123 K161 W162	S123-V125 PolarHBondContact OG-N 3.07Å; S123-V125 PolarHBondContact OG-O 2.78Å; V125-K161 HydrophobicContact CG1-CB 3.93Å; V125-W162 WeakPolarHBondContact CA-O 3.21Å
126	V	96.4	Very high	94.7	Very high	4 Å²	4	67.3 Å²	67.3	2%	0.024	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	159.8	176.6	-68.1	0	0	0	0	112.3	F115 F118 D119 K161 W162 Y164	F115-V126 HydrophobicContact CD1-CG1 4.14Å; F115-V126 HydrophobicContact CD1-CG2 4.24Å; F115-V126 HydrophobicContact CE1-CG2 4.27Å; F118-V126 HydrophobicContact CB-CB 4.28Å; F118-V126 HydrophobicContact CB-CG1 3.66Å; D119-V126 HydrophobicContact CB-CG1 3.95Å; V126-K161 WeakPolarHBondContact O-CA 3.24Å; V126-W162 HydrophobicContact CG2-CD2 4.12Å; V126-W162 HydrophobicContact CG2-CH2 4.28Å; V126-W162 HydrophobicContact CG2-CZ2 3.72Å; V126-W162 PolarHBondContact N-O 3.31Å; V126-W162 PolarHBondContact O-N 3.5Å; V126-W162 VanDerWaalsContact O-N 3.13Å; V126-Y164 HydrophobicContact CB-CD1 4.32Å; V126-Y164 HydrophobicContact CG1-CD1 3.61Å; V126-Y164 HydrophobicContact CG1-CE1 3.78Å; V126-Y164 HydrophobicContact CG1-CG 4.47Å; V126-Y164 HydrophobicContact CG2-CD1 4.04Å; V126-Y164 HydrophobicContact CG2-CG 4.47Å
127	D	95.9	Very high	94.6	Very high	53 Å²	53	69 Å²	69	28%	0.283	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	137	177.4	-148.6	-58.2	0	0	0	110.9	P130 K161	D127-P130 HydrophobicContact CB-CG 4.38Å; D127-K161 IonicContact OD2-NZ 3.84Å; D127-K161 PolarHBondContact OD2-NZ 3.13Å
128	T	95.6	Very high	94.5	Very high	12 Å²	12	67.1 Å²	67.1	7%	0.074	36%	0.359	C	S	.	.	H	α-helix	trans	-68.2	-43.5	-172.4	-65.2	0	0	0	0	112.8	M131 K132 F151 P156 G160 W162	T128-M131 PolarHBondContact O-N 2.77Å; T128-K132 VanDerWaalsContact O-CB 3.24Å; T128-K132 WeakPolarHBondContact O-CB 3.27Å; T128-K132 PolarHBondContact O-N 2.72Å; T128-F151 HydrophobicContact CG2-CD1 3.76Å; T128-F151 HydrophobicContact CG2-CD2 4.34Å; T128-F151 HydrophobicContact CG2-CE1 3.74Å; T128-F151 HydrophobicContact CG2-CE2 4.31Å; T128-F151 HydrophobicContact CG2-CG 4.08Å; T128-F151 HydrophobicContact CG2-CZ 4.02Å; T128-P156 WeakPolarHBondContact OG1-CB 3.36Å; T128-G160 VanDerWaalsContact CB-O 3.3Å; T128-G160 WeakPolarHBondContact CB-O 3.4Å; T128-G160 PolarHBondContact N-O 3.39Å; T128-G160 PolarHBondContact OG1-O 3.43Å; T128-W162 PolarHBondContact OG1-NE1 3Å
129	E	95	Very high	94.3	Very high	115 Å²	115	67.8 Å²	67.8	54%	0.537	38%	0.381	S	S	.	.	H	α-helix	trans	-66.8	-46.2	-169.1	-68.8	-60.5	123.2	0	0	114	M131 K132 T133	E129-M131 VanDerWaalsContact C-N 3.3Å; E129-M131 PolarHBondContact O-N 2.87Å; E129-K132 PolarHBondContact O-N 3.37Å; E129-T133 PolarHBondContact O-N 3Å; E129-T133 PolarHBondContact O-OG1 3.08Å
130	P	93.6	Very high	94	Very high	69 Å²	69	71.2 Å²	71.2	45%	0.448	40%	0.399	S	S	.	.	H	α-helix	trans	-62.2	-39.9	174.6	-21.6	33.9	0	0	0	111.9	F118 D127 T133 M134	F118-P130 HydrophobicContact CD1-CB 4.39Å; F118-P130 HydrophobicContact CE1-CB 4.44Å; D127-P130 HydrophobicContact CB-CG 4.38Å; P130-T133 PolarHBondContact O-N 3Å; P130-M134 WeakPolarHBondContact O-CG 3.47Å; P130-M134 PolarHBondContact O-N 3.41Å; P130-M134 VanDerWaalsContact O-N 3.07Å
131	M	94.7	Very high	93.9	Very high	10 Å²	10	65.8 Å²	65.8	5%	0.049	38%	0.383	C	S	.	.	H	α-helix	trans	-67	-45.3	179.5	-170	176.8	-149.7	0	0	111.6	F115 F118 T128 E129 T133 M134 L135 F150 F151 W162	F115-M131 HydrophobicContact CD1-CE 4.04Å; F115-M131 HydrophobicContact CE1-CE 3.44Å; F115-M131 VanDerWaalsContact CE1-CE 3.44Å; F115-M131 HydrophobicContact CE1-SD 4.05Å; F115-M131 HydrophobicContact CE2-CE 4.14Å; F115-M131 HydrophobicContact CZ-CE 3.52Å; F118-M131 HydrophobicContact CD1-CB 4.34Å; F118-M131 HydrophobicContact CD2-CE 4.43Å; F118-M131 HydrophobicContact CE1-CB 4.01Å; F118-M131 HydrophobicContact CE1-CG 4.35Å; F118-M131 HydrophobicContact CE2-CE 4.12Å; F118-M131 HydrophobicContact CE2-CG 4.11Å; F118-M131 HydrophobicContact CZ-CB 4.13Å; F118-M131 HydrophobicContact CZ-CG 3.96Å; T128-M131 PolarHBondContact O-N 2.77Å; E129-M131 VanDerWaalsContact C-N 3.3Å; E129-M131 PolarHBondContact O-N 2.87Å; M131-T133 VanDerWaalsContact C-N 3.31Å; M131-T133 PolarHBondContact O-N 3.2Å; M131-M134 PolarHBondContact O-N 3.34Å; M131-L135 HydrophobicContact CG-CD1 3.99Å; M131-L135 HydrophobicContact CG-CG 4.27Å; M131-L135 WeakPolarHBondContact O-CB 3.42Å; M131-L135 VanDerWaalsContact O-CG 3.31Å; M131-L135 WeakPolarHBondContact O-CG 3.36Å; M131-L135 PolarHBondContact O-N 3.15Å; M131-F150 HydrophobicContact CE-CE1 4.47Å; M131-F150 HydrophobicContact CE-CZ 4.1Å; M131-F150 HydrophobicContact SD-CE1 4.11Å; M131-F150 HydrophobicContact SD-CZ 4.33Å; M131-F151 HydrophobicContact CB-CZ 4.12Å; M131-F151 HydrophobicContact CG-CZ 4.11Å; M131-F151 HydrophobicContact SD-CE1 4.25Å; M131-F151 HydrophobicContact SD-CZ 4.32Å; M131-W162 HydrophobicContact SD-CH2 4.43Å; M131-W162 HydrophobicContact SD-CZ2 3.83Å
132	K	94.6	Very high	93.8	Very high	63 Å²	63	62.2 Å²	62.2	27%	0.274	36%	0.36	S	S	.	.	H	α-helix	trans	-56.8	-46.3	175.6	-178.8	176.8	-177.4	-178.7	0	111.5	T128 E129 M134 L135 L136 F151	T128-K132 VanDerWaalsContact O-CB 3.24Å; T128-K132 WeakPolarHBondContact O-CB 3.27Å; T128-K132 PolarHBondContact O-N 2.72Å; E129-K132 PolarHBondContact O-N 3.37Å; K132-M134 VanDerWaalsContact C-N 3.34Å; K132-M134 PolarHBondContact O-N 3.35Å; K132-L135 PolarHBondContact O-N 2.85Å; K132-L136 HydrophobicContact CG-CD1 4Å; K132-L136 VanDerWaalsContact O-CG 3.29Å; K132-L136 WeakPolarHBondContact O-CG 3.45Å; K132-L136 PolarHBondContact O-N 3.29Å; K132-L136 VanDerWaalsContact O-N 3.16Å; K132-F151 HydrophobicContact CB-CE2 3.64Å; K132-F151 HydrophobicContact CB-CZ 4.02Å; K132-F151 HydrophobicContact CG-CE2 4.07Å
133	T	94.9	Very high	93.8	Very high	80 Å²	80	58.4 Å²	58.4	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-58.8	-47.4	177.3	-57.6	0	0	0	0	110.7	E129 P130 M131 L136 T137	E129-T133 PolarHBondContact O-N 3Å; E129-T133 PolarHBondContact O-OG1 3.08Å; P130-T133 PolarHBondContact O-N 3Å; M131-T133 VanDerWaalsContact C-N 3.31Å; M131-T133 PolarHBondContact O-N 3.2Å; T133-L136 PolarHBondContact O-N 3.49Å; T133-T137 WeakPolarHBondContact O-CB 3.37Å; T133-T137 WeakPolarHBondContact O-CG2 3.25Å; T133-T137 PolarHBondContact O-N 2.89Å; T133-T137 PolarHBondContact O-OG1 3.08Å
134	M	93.4	Very high	93.7	Very high	62 Å²	62	60.2 Å²	60.2	31%	0.305	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-48	178.1	-75.4	-107.6	-65.1	0	0	112.7	F117 F118 P130 M131 K132 L136 T137 V138	F117-M134 HydrophobicContact CD1-CE 3.6Å; F117-M134 HydrophobicContact CE1-CE 3.35Å; F117-M134 HydrophobicContact CE1-SD 3.95Å; F117-M134 HydrophobicContact CZ-CE 4.2Å; F118-M134 HydrophobicContact CE1-CB 4.31Å; F118-M134 HydrophobicContact CE1-CE 4.02Å; F118-M134 HydrophobicContact CE1-CG 3.91Å; F118-M134 HydrophobicContact CE2-CE 4.11Å; F118-M134 HydrophobicContact CZ-CB 3.91Å; F118-M134 HydrophobicContact CZ-CE 3.41Å; F118-M134 VanDerWaalsContact CZ-CE 3.41Å; F118-M134 HydrophobicContact CZ-CG 3.88Å; F118-M134 HydrophobicContact CZ-SD 4.47Å; P130-M134 WeakPolarHBondContact O-CG 3.47Å; P130-M134 PolarHBondContact O-N 3.41Å; P130-M134 VanDerWaalsContact O-N 3.07Å; M131-M134 PolarHBondContact O-N 3.34Å; K132-M134 VanDerWaalsContact C-N 3.34Å; K132-M134 PolarHBondContact O-N 3.35Å; M134-L136 PolarHBondContact O-N 3.31Å; M134-L136 VanDerWaalsContact O-N 3.14Å; M134-T137 PolarHBondContact O-N 3.48Å; M134-T137 VanDerWaalsContact O-N 3.08Å; M134-V138 PolarHBondContact O-N 3.16Å; M134-V138 HydrophobicContact SD-CG2 4.11Å
135	L	93.8	Very high	93.6	Very high	31 Å²	31	66.8 Å²	66.8	16%	0.162	38%	0.376	C	S	.	.	H	α-helix	trans	-59.1	-27.2	179.9	-71.6	172.3	0	0	0	112.7	M131 K132 F142 F150 F151	M131-L135 HydrophobicContact CG-CD1 3.99Å; M131-L135 HydrophobicContact CG-CG 4.27Å; M131-L135 WeakPolarHBondContact O-CB 3.42Å; M131-L135 VanDerWaalsContact O-CG 3.31Å; M131-L135 WeakPolarHBondContact O-CG 3.36Å; M131-L135 PolarHBondContact O-N 3.15Å; K132-L135 PolarHBondContact O-N 2.85Å; L135-F142 HydrophobicContact CD2-CE1 4.29Å; L135-F142 HydrophobicContact CD2-CZ 4.31Å; L135-F142 WeakPolarHBondContact O-CB 3.42Å; L135-F142 PolarHBondContact O-N 3.32Å; L135-F150 HydrophobicContact CD1-CD1 3.96Å; L135-F150 HydrophobicContact CD1-CE1 3.84Å; L135-F150 HydrophobicContact CD1-CG 4.43Å; L135-F150 HydrophobicContact CD1-CZ 4.15Å; L135-F151 HydrophobicContact CD1-CE2 4Å; L135-F151 HydrophobicContact CD1-CZ 3.92Å
136	L	94.3	Very high	93.5	Very high	47 Å²	47	68.9 Å²	68.9	25%	0.246	38%	0.382	C	S	.	.	H	α-helix	trans	-92.2	-13.9	179.4	-67	173.2	0	0	0	114.2	K132 T133 M134 F142 C147	K132-L136 HydrophobicContact CG-CD1 4Å; K132-L136 VanDerWaalsContact O-CG 3.29Å; K132-L136 WeakPolarHBondContact O-CG 3.45Å; K132-L136 PolarHBondContact O-N 3.29Å; K132-L136 VanDerWaalsContact O-N 3.16Å; T133-L136 PolarHBondContact O-N 3.49Å; M134-L136 PolarHBondContact O-N 3.31Å; M134-L136 VanDerWaalsContact O-N 3.14Å; L136-F142 VanDerWaalsContact CD2-O 3.28Å; L136-F142 WeakPolarHBondContact CD2-O 3.4Å; L136-C147 HydrophobicContact CD2-CB 3.7Å; L136-C147 HydrophobicContact CG-CB 4.28Å
137	T	92.9	Very high	93.3	Very high	93 Å²	93	68.7 Å²	68.7	57%	0.571	38%	0.382	S	S	*	.	H	α-helix	trans	-126.9	-16.1	-167.5	58.9	0	0	0	0	115.3	T133 M134	T133-T137 WeakPolarHBondContact O-CB 3.37Å; T133-T137 WeakPolarHBondContact O-CG2 3.25Å; T133-T137 PolarHBondContact O-N 2.89Å; T133-T137 PolarHBondContact O-OG1 3.08Å; M134-T137 PolarHBondContact O-N 3.48Å; M134-T137 VanDerWaalsContact O-N 3.08Å
138	V	90.7	Very high	93.2	Very high	87 Å²	87	70.3 Å²	70.3	53%	0.527	39%	0.39	S	S	.	.	S	Bend	trans	-118.1	131.5	-173	-176.5	0	0	0	0	111.2	M134	M134-V138 PolarHBondContact O-N 3.16Å; M134-V138 HydrophobicContact SD-CG2 4.11Å
139	G	90	Very high	93	Very high	67 Å²	67	74.5 Å²	74.5	69%	0.691	41%	0.409	S	S	*	.	S	Bend	trans	66.7	-135.6	173.5	0	0	0	0	0	113.1	C141	G139-C141 PolarHBondContact O-N 3.05Å; G139-C141 PolarHBondContact O-SG 3.46Å
140	D	90.3	Very high	92.9	Very high	76 Å²	76	70.2 Å²	70.2	41%	0.406	39%	0.389	S	S	.	.	S	Bend	trans	-72.5	83	171.7	-67.6	-33.9	0	0	0	109.5	T62 S63	T62-D140 WeakPolarHBondContact CA-OD2 3.4Å; T62-D140 WeakPolarHBondContact CB-OD2 3.24Å; S63-D140 WeakPolarHBondContact CB-OD1 3.28Å; S63-D140 PolarHBondContact N-OD2 3.36Å; S63-D140 PolarHBondContact OG-OD1 3.15Å
141	C	90.1	Very high	92.9	Very high	64 Å²	64	67.7 Å²	67.7	43%	0.432	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-62.9	136.3	-172.8	-61.3	0	0	0	0	111.1	G139	G139-C141 PolarHBondContact O-N 3.05Å; G139-C141 PolarHBondContact O-SG 3.46Å
142	F	90.9	Very high	92.8	Very high	76 Å²	76	74.2 Å²	74.2	33%	0.333	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-71.6	147.1	170.8	-76.6	34.7	0	0	0	108.6	L135 L136 E146 C147 F150	L135-F142 HydrophobicContact CD2-CE1 4.29Å; L135-F142 HydrophobicContact CD2-CZ 4.31Å; L135-F142 WeakPolarHBondContact O-CB 3.42Å; L135-F142 PolarHBondContact O-N 3.32Å; L136-F142 VanDerWaalsContact CD2-O 3.28Å; L136-F142 WeakPolarHBondContact CD2-O 3.4Å; F142-E146 HydrophobicContact CB-CB 4.14Å; F142-E146 HydrophobicContact CD2-CB 3.93Å; F142-E146 HydrophobicContact CG-CB 4.28Å; F142-C147 HydrophobicContact CB-CB 4.23Å; F142-F150 HydrophobicContact CE2-CB 4.32Å; F142-F150 HydrophobicContact CE2-CD2 4.02Å; F142-F150 HydrophobicContact CE2-CG 4.42Å
143	T	93.8	Very high	92.7	Very high	74 Å²	74	76.7 Å²	76.7	45%	0.454	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-70.4	157.4	161.5	61.8	0	0	0	0	110.1	K145 E146 C147	T143-K145 PolarHBondContact O-N 2.97Å; T143-E146 WeakPolarHBondContact CB-OE2 3.3Å; T143-E146 WeakPolarHBondContact CG2-OE2 3.4Å; T143-E146 PolarHBondContact N-OE2 2.96Å; T143-E146 PolarHBondContact O-N 3.08Å; T143-E146 WeakPolarHBondContact OG1-CG 3.43Å; T143-E146 PolarHBondContact OG1-N 3.46Å; T143-E146 PolarHBondContact OG1-OE2 3.3Å; T143-C147 WeakPolarHBondContact O-CB 3.36Å; T143-C147 PolarHBondContact O-N 3.12Å
144	D	94.5	Very high	92.5	Very high	112 Å²	112	73.6 Å²	73.6	60%	0.599	39%	0.393	S	S	*	.	H	α-helix	trans	-50	-38	173.3	-68.6	-73.6	0	0	0	112.3	N148	D144-N148 WeakPolarHBondContact O-CB 3.03Å; D144-N148 PolarHBondContact O-N 2.94Å; D144-N148 PolarHBondContact O-ND2 2.7Å
145	K	94.6	Very high	92.5	Very high	150 Å²	150	74 Å²	74	65%	0.652	41%	0.407	S	S	*	.	H	α-helix	trans	-65.8	-47.7	178.6	-176.1	-176.7	170.2	-171.1	0	111.8	T143 C147 N148 E149	T143-K145 PolarHBondContact O-N 2.97Å; K145-C147 VanDerWaalsContact C-N 3.33Å; K145-N148 PolarHBondContact O-N 2.93Å; K145-E149 WeakPolarHBondContact O-CG 3.41Å; K145-E149 PolarHBondContact O-N 3.45Å
146	E	92.6	Very high	92.5	Very high	101 Å²	101	74.8 Å²	74.8	47%	0.472	41%	0.414	S	S	.	.	H	α-helix	trans	-65	-40.9	178.8	-73.4	155.8	158.3	0	0	111	F142 T143 N148 E149 F150	F142-E146 HydrophobicContact CB-CB 4.14Å; F142-E146 HydrophobicContact CD2-CB 3.93Å; F142-E146 HydrophobicContact CG-CB 4.28Å; T143-E146 WeakPolarHBondContact CB-OE2 3.3Å; T143-E146 WeakPolarHBondContact CG2-OE2 3.4Å; T143-E146 PolarHBondContact N-OE2 2.96Å; T143-E146 PolarHBondContact O-N 3.08Å; T143-E146 WeakPolarHBondContact OG1-CG 3.43Å; T143-E146 PolarHBondContact OG1-N 3.46Å; T143-E146 PolarHBondContact OG1-OE2 3.3Å; E146-N148 PolarHBondContact O-N 3.37Å; E146-E149 PolarHBondContact O-N 2.92Å; E146-F150 WeakPolarHBondContact O-CB 3.46Å; E146-F150 PolarHBondContact O-N 3.46Å
147	C	93.3	Very high	92.5	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.007	42%	0.42	C	S	.	.	H	α-helix	trans	-61.5	-43.1	175.5	-165.1	0	0	0	0	111.8	L136 F142 T143 K145 F150 F151	L136-C147 HydrophobicContact CD2-CB 3.7Å; L136-C147 HydrophobicContact CG-CB 4.28Å; F142-C147 HydrophobicContact CB-CB 4.23Å; T143-C147 WeakPolarHBondContact O-CB 3.36Å; T143-C147 PolarHBondContact O-N 3.12Å; K145-C147 VanDerWaalsContact C-N 3.33Å; C147-F150 WeakPolarHBondContact O-CB 3.05Å; C147-F150 PolarHBondContact O-N 3.15Å; C147-F151 VanDerWaalsContact O-CD2 3.24Å; C147-F151 WeakPolarHBondContact O-CD2 3.46Å; C147-F151 PolarHBondContact O-N 2.97Å; C147-F151 VanDerWaalsContact O-N 3.09Å; C147-F151 VanDerWaalsContact SG-CE2 3.6Å
148	N	92.9	Very high	92.5	Very high	87 Å²	87	77.6 Å²	77.6	47%	0.465	44%	0.441	S	S	.	.	H	α-helix	trans	-65.6	-40.6	175.6	-72.5	-34.4	0	0	0	112.7	D144 K145 E146 F150 K152	D144-N148 WeakPolarHBondContact O-CB 3.03Å; D144-N148 PolarHBondContact O-N 2.94Å; D144-N148 PolarHBondContact O-ND2 2.7Å; K145-N148 PolarHBondContact O-N 2.93Å; E146-N148 PolarHBondContact O-N 3.37Å; N148-F150 VanDerWaalsContact C-N 3.33Å; N148-K152 VanDerWaalsContact O-CB 3.27Å; N148-K152 WeakPolarHBondContact O-CB 3.37Å; N148-K152 PolarHBondContact O-N 2.96Å
149	E	92.6	Very high	92.7	Very high	100 Å²	100	78.3 Å²	78.3	47%	0.467	44%	0.441	S	S	.	.	H	α-helix	trans	-66.8	-36.4	175.6	-69.6	-63.8	141	0	0	111.6	K145 E146 K152 E153	K145-E149 WeakPolarHBondContact O-CG 3.41Å; K145-E149 PolarHBondContact O-N 3.45Å; E146-E149 PolarHBondContact O-N 2.92Å; E149-K152 PolarHBondContact O-N 3.08Å; E149-K152 IonicContact OE1-NZ 3.98Å; E149-K152 IonicContact OE2-NZ 2.97Å; E149-E153 PolarHBondContact O-N 3.01Å; E149-E153 VanDerWaalsContact O-N 3.14Å
150	F	93.2	Very high	93	Very high	25 Å²	25	76 Å²	76	11%	0.11	42%	0.418	C	S	.	.	H	α-helix	trans	-57.4	-54	173.4	177.5	-84	0	0	0	111.3	F115 M131 L135 F142 E146 C147 N148 K152 E153 A154 W162 F167 L171	F115-F150 HydrophobicContact CZ-CZ 4.5Å; M131-F150 HydrophobicContact CE-CE1 4.47Å; M131-F150 HydrophobicContact CE-CZ 4.1Å; M131-F150 HydrophobicContact SD-CE1 4.11Å; M131-F150 HydrophobicContact SD-CZ 4.33Å; L135-F150 HydrophobicContact CD1-CD1 3.96Å; L135-F150 HydrophobicContact CD1-CE1 3.84Å; L135-F150 HydrophobicContact CD1-CG 4.43Å; L135-F150 HydrophobicContact CD1-CZ 4.15Å; F142-F150 HydrophobicContact CE2-CB 4.32Å; F142-F150 HydrophobicContact CE2-CD2 4.02Å; F142-F150 HydrophobicContact CE2-CG 4.42Å; E146-F150 WeakPolarHBondContact O-CB 3.46Å; E146-F150 PolarHBondContact O-N 3.46Å; C147-F150 WeakPolarHBondContact O-CB 3.05Å; C147-F150 PolarHBondContact O-N 3.15Å; N148-F150 VanDerWaalsContact C-N 3.33Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 3.47Å; F150-E153 PolarHBondContact O-N 2.98Å; F150-E153 VanDerWaalsContact O-N 3.16Å; F150-A154 PolarHBondContact O-N 3.39Å; F150-W162 HydrophobicContact CE1-CH2 4.3Å; F150-W162 HydrophobicContact CE1-CZ2 4.31Å; F150-F167 HydrophobicContact CD1-CZ 4.46Å; F150-F167 HydrophobicContact CD2-CE1 4.13Å; F150-F167 AromaticContact CD2-CZ 3.87Å; F150-F167 HydrophobicContact CD2-CZ 3.87Å; F150-F167 AromaticContact CE1-CE1 3.96Å; F150-F167 HydrophobicContact CE1-CE1 3.96Å; F150-F167 HydrophobicContact CE1-CZ 4.25Å; F150-F167 AromaticContact CE2-CE1 3.43Å; F150-F167 HydrophobicContact CE2-CE1 3.43Å; F150-F167 VanDerWaalsContact CE2-CE1 3.43Å; F150-F167 AromaticContact CE2-CZ 3.66Å; F150-F167 HydrophobicContact CE2-CZ 3.66Å; F150-F167 HydrophobicContact CG-CZ 4.28Å; F150-F167 HydrophobicContact CZ-CD1 4.4Å; F150-F167 AromaticContact CZ-CE1 3.34Å; F150-F167 HydrophobicContact CZ-CE1 3.34Å; F150-F167 AromaticContact CZ-CZ 3.88Å; F150-F167 HydrophobicContact CZ-CZ 3.88Å; F150-L171 HydrophobicContact CE2-CD1 4.3Å
151	F	93.8	Very high	93.2	Very high	16 Å²	16	76.9 Å²	76.9	7%	0.07	42%	0.418	C	S	.	.	H	α-helix	trans	-72.1	-25.1	-178.7	-72.3	-65.7	0	0	0	113.4	T128 M131 K132 L135 C147 E153 A154 A155 P156 W162	T128-F151 HydrophobicContact CG2-CD1 3.76Å; T128-F151 HydrophobicContact CG2-CD2 4.34Å; T128-F151 HydrophobicContact CG2-CE1 3.74Å; T128-F151 HydrophobicContact CG2-CE2 4.31Å; T128-F151 HydrophobicContact CG2-CG 4.08Å; T128-F151 HydrophobicContact CG2-CZ 4.02Å; M131-F151 HydrophobicContact CB-CZ 4.12Å; M131-F151 HydrophobicContact CG-CZ 4.11Å; M131-F151 HydrophobicContact SD-CE1 4.25Å; M131-F151 HydrophobicContact SD-CZ 4.32Å; K132-F151 HydrophobicContact CB-CE2 3.64Å; K132-F151 HydrophobicContact CB-CZ 4.02Å; K132-F151 HydrophobicContact CG-CE2 4.07Å; L135-F151 HydrophobicContact CD1-CE2 4Å; L135-F151 HydrophobicContact CD1-CZ 3.92Å; C147-F151 VanDerWaalsContact O-CD2 3.24Å; C147-F151 WeakPolarHBondContact O-CD2 3.46Å; C147-F151 PolarHBondContact O-N 2.97Å; C147-F151 VanDerWaalsContact O-N 3.09Å; C147-F151 VanDerWaalsContact SG-CE2 3.6Å; F151-E153 VanDerWaalsContact C-N 3.29Å; F151-E153 PolarHBondContact O-N 3.34Å; F151-A154 HydrophobicContact CD1-CB 4.42Å; F151-A154 PolarHBondContact O-N 3.09Å; F151-A155 PolarHBondContact O-N 3.02Å; F151-P156 WeakPolarHBondContact O-CD 3.31Å; F151-W162 HydrophobicContact CD1-CZ2 4.4Å; F151-W162 HydrophobicContact CE1-CZ2 4.02Å
152	K	92.5	Very high	93.5	Very high	147 Å²	147	74 Å²	74	64%	0.639	40%	0.398	S	S	*	.	H	α-helix	trans	-63.2	-37	170.7	-177.4	-173.7	175.5	-170.5	0	112	N148 E149 F150	N148-K152 VanDerWaalsContact O-CB 3.27Å; N148-K152 WeakPolarHBondContact O-CB 3.37Å; N148-K152 PolarHBondContact O-N 2.96Å; E149-K152 PolarHBondContact O-N 3.08Å; E149-K152 IonicContact OE1-NZ 3.98Å; E149-K152 IonicContact OE2-NZ 2.97Å; F150-K152 VanDerWaalsContact C-N 3.31Å; F150-K152 PolarHBondContact O-N 3.47Å
153	E	91.5	Very high	93.7	Very high	115 Å²	115	75.2 Å²	75.2	54%	0.537	41%	0.413	S	S	.	.	H	α-helix	trans	-78.9	-37.7	175.6	-171.8	174.7	170.4	0	0	112.5	E149 F150 F151 A155 F167	E149-E153 PolarHBondContact O-N 3.01Å; E149-E153 VanDerWaalsContact O-N 3.14Å; F150-E153 PolarHBondContact O-N 2.98Å; F150-E153 VanDerWaalsContact O-N 3.16Å; F151-E153 VanDerWaalsContact C-N 3.29Å; F151-E153 PolarHBondContact O-N 3.34Å; E153-A155 PolarHBondContact O-N 3.36Å; E153-F167 HydrophobicContact CB-CE2 4.08Å; E153-F167 HydrophobicContact CG-CE2 3.95Å
154	A	92	Very high	93.8	Very high	14 Å²	14	72.1 Å²	72.1	12%	0.116	39%	0.393	C	S	.	.	H	α-helix	trans	-62.8	-30.6	174.8	0	0	0	0	0	112.6	F150 F151 W162 F167	F150-A154 PolarHBondContact O-N 3.39Å; F151-A154 HydrophobicContact CD1-CB 4.42Å; F151-A154 PolarHBondContact O-N 3.09Å; A154-W162 HydrophobicContact CB-CD2 4.09Å; A154-W162 HydrophobicContact CB-CE3 3.85Å; A154-W162 HydrophobicContact CB-CH2 3.69Å; A154-W162 HydrophobicContact CB-CZ2 3.93Å; A154-W162 HydrophobicContact CB-CZ3 3.65Å; A154-F167 HydrophobicContact CB-CD2 4.22Å; A154-F167 HydrophobicContact CB-CE2 4.07Å; A154-F167 HydrophobicContact CB-CZ 4.22Å
155	A	92.7	Very high	93.8	Very high	71 Å²	71	70.5 Å²	70.5	59%	0.587	39%	0.385	S	S	*	.			trans	55.5	64.3	178.1	0	0	0	0	0	113.4	F151 E153	F151-A155 PolarHBondContact O-N 3.02Å; E153-A155 PolarHBondContact O-N 3.36Å
156	P	94.3	Very high	93.7	Very high	47 Å²	47	68.4 Å²	68.4	31%	0.305	38%	0.381	S	S	.	.			trans	-59.4	146.8	178.5	26.5	-34.2	0	0	0	112.5	T128 F151 W162	T128-P156 WeakPolarHBondContact OG1-CB 3.36Å; F151-P156 WeakPolarHBondContact O-CD 3.31Å; P156-W162 HydrophobicContact CB-CG 4.28Å
157	G	93	Very high	93.7	Very high	37 Å²	37	64 Å²	64	38%	0.381	36%	0.36	S	S	.	.			trans	-63.9	172.2	172.4	0	0	0	0	0	112.4	D159 G160 K161	G157-D159 PolarHBondContact O-N 3.45Å; G157-G160 PolarHBondContact O-N 2.92Å; G157-K161 PolarHBondContact N-O 2.95Å
158	T	93.3	Very high	93.7	Very high	163 Å²	163	64 Å²	64	100%	1	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-21.5	179.3	51.8	0	0	0	0	113.7	G160	T158-G160 VanDerWaalsContact C-N 3.34Å
159	D	95.1	Very high	93.7	Very high	102 Å²	102	64.5 Å²	64.5	55%	0.545	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	2	174.4	65.9	-16.6	0	0	0	113.1	G157 K161	G157-D159 PolarHBondContact O-N 3.45Å; D159-K161 VanDerWaalsContact C-N 3.27Å; D159-K161 PolarHBondContact O-N 3.4Å; D159-K161 PolarHBondContact OD1-N 3.37Å
160	G	95	Very high	93.6	Very high	19 Å²	19	64.9 Å²	64.9	20%	0.196	36%	0.358	C	S	.	.	S	Bend	trans	80.1	1.5	-177.4	0	0	0	0	0	114.5	T128 G157 T158	T128-G160 VanDerWaalsContact CB-O 3.3Å; T128-G160 WeakPolarHBondContact CB-O 3.4Å; T128-G160 PolarHBondContact N-O 3.39Å; T128-G160 PolarHBondContact OG1-O 3.43Å; G157-G160 PolarHBondContact O-N 2.92Å; T158-G160 VanDerWaalsContact C-N 3.34Å
161	K	95.8	Very high	93.5	Very high	93 Å²	93	66.3 Å²	66.3	40%	0.404	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	149.7	-179.8	-60.1	-175.7	-175.1	-63.7	0	111.5	V125 V126 D127 G157 D159	V125-K161 HydrophobicContact CG1-CB 3.93Å; V126-K161 WeakPolarHBondContact O-CA 3.24Å; D127-K161 IonicContact OD2-NZ 3.84Å; D127-K161 PolarHBondContact OD2-NZ 3.13Å; G157-K161 PolarHBondContact N-O 2.95Å; D159-K161 VanDerWaalsContact C-N 3.27Å; D159-K161 PolarHBondContact O-N 3.4Å; D159-K161 PolarHBondContact OD1-N 3.37Å
162	W	96	Very high	93.4	Very high	5 Å²	5	65.6 Å²	65.6	2%	0.019	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	147.2	178.5	50.7	-70.1	0	0	0	113.8	F115 V125 V126 T128 M131 F150 F151 A154 P156 F167	F115-W162 AromaticContact CE1-CH2 3.74Å; F115-W162 HydrophobicContact CE1-CH2 3.74Å; F115-W162 HydrophobicContact CE1-CZ2 4.33Å; F115-W162 HydrophobicContact CE1-CZ3 4.41Å; F115-W162 HydrophobicContact CZ-CH2 4.17Å; V125-W162 WeakPolarHBondContact CA-O 3.21Å; V126-W162 HydrophobicContact CG2-CD2 4.12Å; V126-W162 HydrophobicContact CG2-CH2 4.28Å; V126-W162 HydrophobicContact CG2-CZ2 3.72Å; V126-W162 PolarHBondContact N-O 3.31Å; V126-W162 PolarHBondContact O-N 3.5Å; V126-W162 VanDerWaalsContact O-N 3.13Å; T128-W162 PolarHBondContact OG1-NE1 3Å; M131-W162 HydrophobicContact SD-CH2 4.43Å; M131-W162 HydrophobicContact SD-CZ2 3.83Å; F150-W162 HydrophobicContact CE1-CH2 4.3Å; F150-W162 HydrophobicContact CE1-CZ2 4.31Å; F151-W162 HydrophobicContact CD1-CZ2 4.4Å; F151-W162 HydrophobicContact CE1-CZ2 4.02Å; A154-W162 HydrophobicContact CB-CD2 4.09Å; A154-W162 HydrophobicContact CB-CE3 3.85Å; A154-W162 HydrophobicContact CB-CH2 3.69Å; A154-W162 HydrophobicContact CB-CZ2 3.93Å; A154-W162 HydrophobicContact CB-CZ3 3.65Å; P156-W162 HydrophobicContact CB-CG 4.28Å; W162-F167 AromaticContact CH2-CD1 3.68Å; W162-F167 HydrophobicContact CH2-CD1 3.68Å; W162-F167 HydrophobicContact CH2-CE1 4.04Å; W162-F167 HydrophobicContact CH2-CG 4.26Å; W162-F167 HydrophobicContact CZ3-CB 3.79Å; W162-F167 AromaticContact CZ3-CD1 3.63Å; W162-F167 HydrophobicContact CZ3-CD1 3.63Å; W162-F167 HydrophobicContact CZ3-CE1 4.37Å; W162-F167 AromaticContact CZ3-CG 3.76Å; W162-F167 HydrophobicContact CZ3-CG 3.76Å
163	P	95.4	Very high	93.2	Very high	100 Å²	100	62.7 Å²	62.7	65%	0.649	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.4	132	171.5	30.6	-33.4	0	0	0	110.6	G124	G124-P163 VanDerWaalsContact O-CA 3.24Å; G124-P163 WeakPolarHBondContact O-CA 3.5Å
164	Y	95.4	Very high	92.4	Very high	9 Å²	9	59.3 Å²	59.3	4%	0.035	35%	0.347	C	S	.	.			trans	-107.5	-13	-171.5	65.7	-95.6	0	0	0	115.2	F115 D119 G124 V126 D166 F167 V168	F115-Y164 HydrophobicContact CB-CD2 3.65Å; F115-Y164 HydrophobicContact CB-CE1 4.38Å; F115-Y164 HydrophobicContact CB-CE2 3.41Å; F115-Y164 VanDerWaalsContact CB-CE2 3.41Å; F115-Y164 HydrophobicContact CB-CG 4.26Å; F115-Y164 AromaticContact CD1-CD1 3.99Å; F115-Y164 HydrophobicContact CD1-CD1 3.99Å; F115-Y164 AromaticContact CD1-CD2 3.48Å; F115-Y164 HydrophobicContact CD1-CD2 3.48Å; F115-Y164 VanDerWaalsContact CD1-CD2 3.48Å; F115-Y164 HydrophobicContact CD1-CE2 4.14Å; F115-Y164 AromaticContact CD1-CG 3.39Å; F115-Y164 HydrophobicContact CD1-CG 3.39Å; F115-Y164 HydrophobicContact CD2-CD2 4.38Å; F115-Y164 HydrophobicContact CE1-CD2 4.18Å; F115-Y164 AromaticContact CE1-CG 3.92Å; F115-Y164 HydrophobicContact CE1-CG 3.92Å; F115-Y164 AromaticContact CG-CD2 3.59Å; F115-Y164 HydrophobicContact CG-CD2 3.59Å; F115-Y164 AromaticContact CG-CE2 3.92Å; F115-Y164 HydrophobicContact CG-CE2 3.92Å; F115-Y164 HydrophobicContact CG-CG 4.01Å; D119-Y164 HydrophobicContact CB-CE1 3.85Å; D119-Y164 PolarHBondContact OD2-OH 3.43Å; G124-Y164 VanDerWaalsContact C-CD1 3.49Å; G124-Y164 WeakPolarHBondContact O-CD1 3.42Å; G124-Y164 WeakPolarHBondContact O-CE1 3.33Å; G124-Y164 PolarHBondContact O-N 2.89Å; G124-Y164 VanDerWaalsContact O-N 3.16Å; V126-Y164 HydrophobicContact CB-CD1 4.32Å; V126-Y164 HydrophobicContact CG1-CD1 3.61Å; V126-Y164 HydrophobicContact CG1-CE1 3.78Å; V126-Y164 HydrophobicContact CG1-CG 4.47Å; V126-Y164 HydrophobicContact CG2-CD1 4.04Å; V126-Y164 HydrophobicContact CG2-CG 4.47Å; Y164-D166 PolarHBondContact O-N 2.88Å; Y164-F167 CarbonylContact O-C 3.43Å; Y164-F167 WeakPolarHBondContact O-CA 3.47Å; Y164-F167 WeakPolarHBondContact O-CB 3.36Å; Y164-F167 PolarHBondContact O-N 3.06Å; Y164-V168 HydrophobicContact CD2-CG2 3.74Å; Y164-V168 HydrophobicContact CE2-CG2 4.45Å; Y164-V168 PolarHBondContact O-N 2.93Å
165	D	94.1	Very high	90.9	Very high	78 Å²	78	60.9 Å²	60.9	42%	0.417	35%	0.35	S	S	.	.	H	α-helix	trans	-55.2	-47.5	-172.6	-69	-20.6	0	0	0	113.6	F167 V168 K169	D165-F167 VanDerWaalsContact C-N 3.3Å; D165-F167 PolarHBondContact O-N 3.46Å; D165-V168 PolarHBondContact O-N 3.18Å; D165-K169 WeakPolarHBondContact O-CG 3.39Å; D165-K169 PolarHBondContact O-N 3.38Å; D165-K169 VanDerWaalsContact O-N 3.13Å
166	D	92.5	Very high	88.9	Confident	107 Å²	107	62.2 Å²	62.2	57%	0.572	35%	0.352	S	S	*	.	H	α-helix	trans	-72	-29.1	179	-75.3	-16.5	0	0	0	112	Y164 K169 K170	Y164-D166 PolarHBondContact O-N 2.88Å; D166-K169 PolarHBondContact O-N 3.13Å; D166-K169 IonicContact OD1-NZ 2.81Å; D166-K169 PolarHBondContact OD1-NZ 3.33Å; D166-K170 WeakPolarHBondContact O-CG 3.36Å; D166-K170 PolarHBondContact O-N 3.48Å
167	F	93.2	Very high	86.6	Confident	9 Å²	9	70.4 Å²	70.4	4%	0.039	38%	0.377	C	S	.	.	H	α-helix	trans	-70.4	-40	174.4	-174.4	-102.6	0	0	0	111.4	F115 F150 E153 A154 W162 Y164 D165 K169 K170 L171	F115-F167 HydrophobicContact CZ-CD1 4.16Å; F115-F167 HydrophobicContact CZ-CE1 4.47Å; F150-F167 HydrophobicContact CD1-CZ 4.46Å; F150-F167 HydrophobicContact CD2-CE1 4.13Å; F150-F167 AromaticContact CD2-CZ 3.87Å; F150-F167 HydrophobicContact CD2-CZ 3.87Å; F150-F167 AromaticContact CE1-CE1 3.96Å; F150-F167 HydrophobicContact CE1-CE1 3.96Å; F150-F167 HydrophobicContact CE1-CZ 4.25Å; F150-F167 AromaticContact CE2-CE1 3.43Å; F150-F167 HydrophobicContact CE2-CE1 3.43Å; F150-F167 VanDerWaalsContact CE2-CE1 3.43Å; F150-F167 AromaticContact CE2-CZ 3.66Å; F150-F167 HydrophobicContact CE2-CZ 3.66Å; F150-F167 HydrophobicContact CG-CZ 4.28Å; F150-F167 HydrophobicContact CZ-CD1 4.4Å; F150-F167 AromaticContact CZ-CE1 3.34Å; F150-F167 HydrophobicContact CZ-CE1 3.34Å; F150-F167 AromaticContact CZ-CZ 3.88Å; F150-F167 HydrophobicContact CZ-CZ 3.88Å; E153-F167 HydrophobicContact CB-CE2 4.08Å; E153-F167 HydrophobicContact CG-CE2 3.95Å; A154-F167 HydrophobicContact CB-CD2 4.22Å; A154-F167 HydrophobicContact CB-CE2 4.07Å; A154-F167 HydrophobicContact CB-CZ 4.22Å; W162-F167 AromaticContact CH2-CD1 3.68Å; W162-F167 HydrophobicContact CH2-CD1 3.68Å; W162-F167 HydrophobicContact CH2-CE1 4.04Å; W162-F167 HydrophobicContact CH2-CG 4.26Å; W162-F167 HydrophobicContact CZ3-CB 3.79Å; W162-F167 AromaticContact CZ3-CD1 3.63Å; W162-F167 HydrophobicContact CZ3-CD1 3.63Å; W162-F167 HydrophobicContact CZ3-CE1 4.37Å; W162-F167 AromaticContact CZ3-CG 3.76Å; W162-F167 HydrophobicContact CZ3-CG 3.76Å; Y164-F167 CarbonylContact O-C 3.43Å; Y164-F167 WeakPolarHBondContact O-CA 3.47Å; Y164-F167 WeakPolarHBondContact O-CB 3.36Å; Y164-F167 PolarHBondContact O-N 3.06Å; D165-F167 VanDerWaalsContact C-N 3.3Å; D165-F167 PolarHBondContact O-N 3.46Å; F167-K169 VanDerWaalsContact C-N 3.35Å; F167-K169 PolarHBondContact O-N 2.67Å; F167-K170 WeakPolarHBondContact O-CB 3.41Å; F167-K170 PolarHBondContact O-N 3.41Å; F167-K170 VanDerWaalsContact O-N 3.16Å; F167-L171 HydrophobicContact CD1-CD1 3.91Å; F167-L171 HydrophobicContact CD1-CG 4.16Å; F167-L171 HydrophobicContact CE1-CD1 3.58Å; F167-L171 HydrophobicContact CE1-CD2 4.08Å; F167-L171 HydrophobicContact CE1-CG 3.85Å; F167-L171 HydrophobicContact CZ-CD1 4.36Å; F167-L171 HydrophobicContact CZ-CD2 4.04Å; F167-L171 HydrophobicContact CZ-CG 4.23Å; F167-L171 WeakPolarHBondContact O-CG 3.43Å; F167-L171 PolarHBondContact O-N 3.5Å
168	V	93.7	Very high	84.1	Confident	0 Å²	0	73.5 Å²	73.5	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-59.8	-45.2	172.1	170.9	0	0	0	0	110.9	L108 L111 N112 F115 Y164 D165 K170 L171 V172	L108-V168 HydrophobicContact CD1-CG1 3.83Å; L111-V168 HydrophobicContact CB-CG1 3.63Å; L111-V168 HydrophobicContact CD1-CG1 4.38Å; N112-V168 WeakPolarHBondContact OD1-CG1 3.4Å; F115-V168 HydrophobicContact CD2-CG2 3.44Å; F115-V168 VanDerWaalsContact CD2-CG2 3.44Å; F115-V168 HydrophobicContact CE1-CG2 4.5Å; F115-V168 HydrophobicContact CE2-CG2 3.44Å; F115-V168 VanDerWaalsContact CE2-CG2 3.44Å; F115-V168 HydrophobicContact CG-CG2 4Å; F115-V168 HydrophobicContact CZ-CG2 3.98Å; Y164-V168 HydrophobicContact CD2-CG2 3.74Å; Y164-V168 HydrophobicContact CE2-CG2 4.45Å; Y164-V168 PolarHBondContact O-N 2.93Å; D165-V168 PolarHBondContact O-N 3.18Å; V168-K170 VanDerWaalsContact C-N 3.29Å; V168-K170 PolarHBondContact O-N 2.81Å; V168-L171 WeakPolarHBondContact O-CB 3.42Å; V168-L171 PolarHBondContact O-N 2.98Å; V168-L171 VanDerWaalsContact O-N 3.08Å; V168-V172 HydrophobicContact CG1-CG2 4.38Å; V168-V172 WeakPolarHBondContact O-CG2 3.48Å; V168-V172 PolarHBondContact O-N 2.82Å
169	K	92.4	Very high	81.4	Confident	97 Å²	97	74.5 Å²	74.5	42%	0.422	38%	0.384	S	S	.	.	H	α-helix	trans	-57.7	-43.5	175	-66.4	169.5	-158.9	155.9	0	111.5	L108 D165 D166 F167 L171 V172 D173	L108-K169 HydrophobicContact CD1-CG 4.48Å; D165-K169 WeakPolarHBondContact O-CG 3.39Å; D165-K169 PolarHBondContact O-N 3.38Å; D165-K169 VanDerWaalsContact O-N 3.13Å; D166-K169 PolarHBondContact O-N 3.13Å; D166-K169 IonicContact OD1-NZ 2.81Å; D166-K169 PolarHBondContact OD1-NZ 3.33Å; F167-K169 VanDerWaalsContact C-N 3.35Å; F167-K169 PolarHBondContact O-N 2.67Å; K169-L171 PolarHBondContact O-N 3.28Å; K169-V172 PolarHBondContact O-N 3.49Å; K169-D173 WeakPolarHBondContact O-CB 3.47Å; K169-D173 PolarHBondContact O-N 3.33Å; K169-D173 VanDerWaalsContact O-N 3.08Å
170	K	90.8	Very high	78.6	Confident	109 Å²	109	74.6 Å²	74.6	47%	0.474	39%	0.393	S	S	.	.	H	α-helix	trans	-59.2	-44.6	174	-72.1	173.5	-176.8	175.3	0	111.6	D166 F167 V168 V172 D173 A174	D166-K170 WeakPolarHBondContact O-CG 3.36Å; D166-K170 PolarHBondContact O-N 3.48Å; F167-K170 WeakPolarHBondContact O-CB 3.41Å; F167-K170 PolarHBondContact O-N 3.41Å; F167-K170 VanDerWaalsContact O-N 3.16Å; V168-K170 VanDerWaalsContact C-N 3.29Å; V168-K170 PolarHBondContact O-N 2.81Å; K170-V172 PolarHBondContact O-N 3.36Å; K170-D173 PolarHBondContact O-N 3.37Å; K170-A174 WeakPolarHBondContact O-CA 3.39Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 3.03Å
171	L	91.1	Very high	75.9	Confident	54 Å²	54	83.1 Å²	83.1	28%	0.283	42%	0.424	S	S	.	.	H	α-helix	trans	-63.2	-37.6	177.7	-69.2	178.3	0	0	0	113	L111 F115 F150 F167 V168 K169 D173	L111-L171 HydrophobicContact CD1-CB 3.71Å; L111-L171 HydrophobicContact CD1-CD1 4.45Å; F115-L171 HydrophobicContact CE2-CD1 4.29Å; F115-L171 HydrophobicContact CZ-CD1 4.48Å; F150-L171 HydrophobicContact CE2-CD1 4.3Å; F167-L171 HydrophobicContact CD1-CD1 3.91Å; F167-L171 HydrophobicContact CD1-CG 4.16Å; F167-L171 HydrophobicContact CE1-CD1 3.58Å; F167-L171 HydrophobicContact CE1-CD2 4.08Å; F167-L171 HydrophobicContact CE1-CG 3.85Å; F167-L171 HydrophobicContact CZ-CD1 4.36Å; F167-L171 HydrophobicContact CZ-CD2 4.04Å; F167-L171 HydrophobicContact CZ-CG 4.23Å; F167-L171 WeakPolarHBondContact O-CG 3.43Å; F167-L171 PolarHBondContact O-N 3.5Å; V168-L171 WeakPolarHBondContact O-CB 3.42Å; V168-L171 PolarHBondContact O-N 2.98Å; V168-L171 VanDerWaalsContact O-N 3.08Å; K169-L171 PolarHBondContact O-N 3.28Å; L171-D173 VanDerWaalsContact C-N 3.34Å
172	V	91	Very high	72.9	Confident	2 Å²	2	88 Å²	88	1%	0.012	45%	0.446	C	S	.	.	H	α-helix	trans	-67.4	-37.4	177.3	174.5	0	0	0	0	112.1	R104 R107 L108 L111 V168 K169 K170	R104-V172 HydrophobicContact CG-CG1 3.61Å; R107-V172 HydrophobicContact CB-CG1 4.28Å; R107-V172 PolarHBondContact NH2-O 3.03Å; L108-V172 HydrophobicContact CB-CG1 4.42Å; L108-V172 HydrophobicContact CB-CG2 3.94Å; L108-V172 HydrophobicContact CD1-CG2 3.88Å; L111-V172 HydrophobicContact CD1-CG2 3.71Å; V168-V172 HydrophobicContact CG1-CG2 4.38Å; V168-V172 WeakPolarHBondContact O-CG2 3.48Å; V168-V172 PolarHBondContact O-N 2.82Å; K169-V172 PolarHBondContact O-N 3.49Å; K170-V172 PolarHBondContact O-N 3.36Å
173	D	87.9	Confident	70.2	Confident	85 Å²	85	92.2 Å²	92.2	46%	0.455	48%	0.481	S	S	.	.	H	α-helix	trans	-88.7	-22.9	-175.9	-69	-30.2	0	0	0	112.7	R104 K169 K170 L171	R104-D173 IonicContact CZ-OD1 2.82Å; R104-D173 VanDerWaalsContact CZ-OD1 3.25Å; R104-D173 IonicContact CZ-OD2 2.65Å; R104-D173 IonicContact NE-OD1 3.83Å; R104-D173 PolarHBondContact NE-OD1 2.92Å; R104-D173 IonicContact NE-OD2 2.7Å; R104-D173 VanDerWaalsContact NH2-CG 3.28Å; R104-D173 IonicContact NH2-OD1 2.7Å; R104-D173 PolarHBondContact NH2-OD1 2.69Å; R104-D173 IonicContact NH2-OD2 3.56Å; R104-D173 PolarHBondContact NH2-OD2 3.37Å; K169-D173 WeakPolarHBondContact O-CB 3.47Å; K169-D173 PolarHBondContact O-N 3.33Å; K169-D173 VanDerWaalsContact O-N 3.08Å; K170-D173 PolarHBondContact O-N 3.37Å; L171-D173 VanDerWaalsContact C-N 3.34Å
174	A	75.4	Confident	67.6	Low	45 Å²	45	99 Å²	99	37%	0.372	49%	0.494	S	S	.	.			trans	-99.3	117.8	177.9	0	0	0	0	0	110.8	K170 P176	K170-A174 WeakPolarHBondContact O-CA 3.39Å; K170-A174 WeakPolarHBondContact O-CB 3.34Å; K170-A174 PolarHBondContact O-N 3.03Å; A174-P176 WeakPolarHBondContact O-CD 3.24Å
175	Y	60.9	Low	64.8	Low	47 Å²	47	104 Å²	104	18%	0.184	53%	0.53	C	S	.	.			trans	-87.1	107.8	144.1	-143.1	-104.3	0	0	0	107	Q55 Q59 C60 R177	Q55-Y175 HydrophobicContact CB-CD1 4.22Å; Q55-Y175 HydrophobicContact CB-CE1 3.7Å; Q55-Y175 HydrophobicContact CG-CD1 4.48Å; Q55-Y175 HydrophobicContact CG-CE1 3.5Å; Q55-Y175 WeakPolarHBondContact CG-OH 3.45Å; Q59-Y175 WeakPolarHBondContact O-CE2 3.48Å; Q59-Y175 PolarHBondContact O-OH 3.09Å; C60-Y175 WeakPolarHBondContact CA-OH 3.21Å; C60-Y175 HydrophobicContact CB-CE2 3.67Å; C60-Y175 VanDerWaalsContact CB-OH 3.31Å; C60-Y175 WeakPolarHBondContact CB-OH 3.43Å; C60-Y175 VanDerWaalsContact N-CE2 3.33Å; C60-Y175 PolarHBondContact SG-OH 3.48Å; Y175-R177 VanDerWaalsContact C-N 3.29Å; Y175-R177 PolarHBondContact O-N 2.7Å
176	P	50.6	Low	62.3	Low	98 Å²	98	104.9 Å²	104.9	64%	0.636	55%	0.548	S	S	*	.			trans	-61	103.7	167.6	24.6	-29.3	0	0	0	105.6	A174 P178	A174-P176 WeakPolarHBondContact O-CD 3.24Å; P176-P178 VanDerWaalsContact O-CD 3.27Å; P176-P178 WeakPolarHBondContact O-CD 3.35Å
177	R	45.1	Very low	59.8	Low	220 Å²	220	102.6 Å²	102.6	83%	0.83	55%	0.55	S	S	*	.			trans	-50.3	120.7	165.7	-60.1	-175	-151.7	-105.5	0.4	103.9	Y175 Q179	Y175-R177 VanDerWaalsContact C-N 3.29Å; Y175-R177 PolarHBondContact O-N 2.7Å; R177-Q179 PolarHBondContact O-N 3.07Å
178	P	40.4	Very low	57.1	Low	102 Å²	102	109.2 Å²	109.2	66%	0.662	59%	0.592	S	S	*	*			trans	-48.3	114.9	175.9	-25.6	32	0	0	0	105.4	P176 S180	P176-P178 VanDerWaalsContact O-CD 3.27Å; P176-P178 WeakPolarHBondContact O-CD 3.35Å; P178-S180 VanDerWaalsContact C-N 3.26Å; P178-S180 PolarHBondContact O-N 3.33Å
179	Q	38.4	Very low	54.4	Low	184 Å²	184	113 Å²	113	86%	0.86	63%	0.63	S	S	*	*			trans	-58.6	107.7	177.5	-73.6	-170	2.8	0	0	103.3	R177 K181	R177-Q179 PolarHBondContact O-N 3.07Å; Q179-K181 PolarHBondContact O-N 3.28Å
180	S	36.2	Very low	51.7	Low	104 Å²	104	117.6 Å²	117.6	73%	0.727	65%	0.651	S	S	*	*			trans	-42.7	118.4	174.9	49	0	0	0	0	104.9	P178 K182	P178-S180 VanDerWaalsContact C-N 3.26Å; P178-S180 PolarHBondContact O-N 3.33Å; S180-K182 VanDerWaalsContact C-N 3.26Å; S180-K182 PolarHBondContact O-N 2.7Å
181	K	38.6	Very low	49.2	Very low	197 Å²	197	121.1 Å²	121.1	86%	0.857	67%	0.666	S	S	*	*			trans	-47.1	107.1	174.7	-74.3	-177.9	-177.7	172.1	0	103	Q179 A183	Q179-K181 PolarHBondContact O-N 3.28Å; K181-A183 VanDerWaalsContact C-N 3.27Å; K181-A183 PolarHBondContact O-N 2.84Å
182	K	32.1	Very low	46.8	Very low	196 Å²	196	128.9 Å²	128.9	85%	0.852	70%	0.697	S	S	*	*			trans	-47.5	106.9	-175.6	-108.2	178.3	179.6	170.6	0	103.5	S180 R184	S180-K182 VanDerWaalsContact C-N 3.26Å; S180-K182 PolarHBondContact O-N 2.7Å; K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 3.31Å
183	A	39.6	Very low	44.3	Very low	93 Å²	93	134 Å²	134	77%	0.769	73%	0.733	S	S	*	*			trans	-54.2	113.9	178.1	0	0	0	0	0	102.2	K181 S185	K181-A183 VanDerWaalsContact C-N 3.27Å; K181-A183 PolarHBondContact O-N 2.84Å; A183-S185 VanDerWaalsContact C-N 3.26Å; A183-S185 PolarHBondContact O-N 2.93Å
184	R	39.4	Very low	42.3	Very low	243 Å²	243	134.4 Å²	134.4	92%	0.917	75%	0.748	S	S	*	*			trans	-54	105.3	-177.5	-74.1	174.6	70.2	178.3	2.2	103.8	K182 A186	K182-R184 VanDerWaalsContact C-N 3.33Å; K182-R184 PolarHBondContact O-N 3.31Å; R184-A186 PolarHBondContact O-N 2.81Å
185	S	38	Very low	41	Very low	114 Å²	114	144.2 Å²	144.2	80%	0.797	78%	0.775	S	S	*	*			trans	-64.9	91.6	176.1	171.3	0	0	0	0	104.8	A183 G187	A183-S185 VanDerWaalsContact C-N 3.26Å; A183-S185 PolarHBondContact O-N 2.93Å; S185-G187 PolarHBondContact O-N 3.16Å
186	A	41.8	Very low	40.6	Very low	96 Å²	96	154.9 Å²	154.9	79%	0.793	82%	0.823	S	S	*	*			trans	-71.6	68.1	159.7	0	0	0	0	0	106.4	R184 T188	R184-A186 PolarHBondContact O-N 2.81Å; A186-T188 PolarHBondContact O-N 3.22Å
187	G	38.1	Very low	40.1	Very low	59 Å²	59	157.8 Å²	157.8	61%	0.608	83%	0.832	S	S	*	*			trans	-89.8	78.7	172.7	0	0	0	0	0	109.5	S185 G189	S185-G187 PolarHBondContact O-N 3.16Å; G187-G189 PolarHBondContact O-N 3.47Å
188	T	37.7	Very low	39.9	Very low	149 Å²	149	154.5 Å²	154.5	91%	0.914	83%	0.832	S	S	*	*			trans	-54.6	115	156.6	35.4	0	0	0	0	109.3	A186	A186-T188 PolarHBondContact O-N 3.22Å
189	G	37.2	Very low	39.9	Very low	79 Å²	79	157.4 Å²	157.4	81%	0.814	84%	0.842	S	S	*	*			trans	-146.2	91.4	-177.2	0	0	0	0	0	111.8	G187	G187-G189 PolarHBondContact O-N 3.47Å
190	K	35.8	Very low	39.9	Very low	194 Å²	194	155.8 Å²	155.8	84%	0.843	84%	0.841	S	S	*	*			trans	-69.4	158.5	-175.6	-153.3	174.6	-175.9	167.6	0	112.7
191	K	38.4	Very low	40.2	Very low	182 Å²	182	159.1 Å²	159.1	79%	0.791	85%	0.848	S	S	*	*			trans	89.4	96.6	156.2	-57.8	-172	177	179.2	0	117.9
192	K	41.2	Very low	40.3	Very low	218 Å²	218	156.5 Å²	156.5	95%	0.948	85%	0.847	S	S	*	*			trans	-79	127.8	142.5	-85.8	-172.5	175.1	-179.8	0	109.2
193	S	38	Very low	40.9	Very low	110 Å²	110	153.7 Å²	153.7	77%	0.769	85%	0.847	S	S	*	*			trans	-88	150.1	-175.1	-174	0	0	0	0	111.7
194	A	44.6	Very low	41	Very low	92 Å²	92	158.4 Å²	158.4	76%	0.76	85%	0.853	S	S	*	*			trans	36.9	118.5	147.3	0	0	0	0	0	119.9
195	R	49.8	Very low	41.1	Very low	251 Å²	251	151.3 Å²	151.3	95%	0.947	85%	0.847	S	S	*	*			trans	-110.2	117.1	146.6	-152	171.9	-172.6	174.8	0.7	107.3
196	K	52.7	Low	41.4	Very low	272 Å²	272	154.7 Å²	154.7	100%	1.183	85%	0.852	S	S	*	*			trans	-73.2	0	172.4	-150.3	-176.4	-173.8	-172.1	0	109.6

Retrieved 196 of 196 residues in 105.7 ms (Link to these results)

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