A0A077ZDG2_TRITR Loading...

Methyltransferase domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZDG2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 179 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	38.2	Very low	34.2	Very low	241 Å²	241	168.1 Å²	168.1	100%	1.187	85%	0.847	S	S	*	*				0	104.1	0	-69.7	-79.8	-170.5	0	0	108.2
2	H	30.1	Very low	33.6	Very low	189 Å²	189	159.8 Å²	159.8	88%	0.875	84%	0.836	S	S	*	*			trans	-138.4	152.2	173.1	-113.9	32.6	0	0	0	106.1
3	P	41.4	Very low	33.5	Very low	100 Å²	100	160.7 Å²	160.7	65%	0.649	84%	0.839	S	S	*	*			cis	-130.4	166.4	-19.6	36.6	-20.2	0	0	0	111.6
4	K	37.1	Very low	33.2	Very low	216 Å²	216	162.3 Å²	162.3	94%	0.939	84%	0.839	S	S	*	*			trans	-117.2	97.8	156.5	-76.1	-170.4	178.4	-177.5	0	108.1	L6	K4-L6 PolarHBondContact O-N 2.93Å
5	R	35.8	Very low	33.3	Very low	239 Å²	239	158.5 Å²	158.5	90%	0.902	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-70.2	120.6	165.4	-86	-175.7	176.3	-160.2	-1	107.6
6	L	31.2	Very low	33.2	Very low	165 Å²	165	154.3 Å²	154.3	86%	0.864	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-77.4	131.6	171.5	-149	73.5	0	0	0	108.4	K4	K4-L6 PolarHBondContact O-N 2.93Å
7	P	34.3	Very low	33	Very low	105 Å²	105	158.7 Å²	158.7	68%	0.682	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-66.3	137.3	-175	22.8	-31.7	0	0	0	112.6	L9	P7-L9 PolarHBondContact O-N 2.82Å
8	L	33.8	Very low	33	Very low	170 Å²	170	158.6 Å²	158.6	89%	0.89	83%	0.83	S	S	*	*			trans	-62.1	110.5	167.3	-72.3	160.9	0	0	0	108.4	S10	L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.06Å
9	L	31.4	Very low	33	Very low	149 Å²	149	157.7 Å²	157.7	78%	0.78	83%	0.827	S	S	*	*			trans	-78.9	85.3	170.4	-134.5	88	0	0	0	108.2	P7 Q11	P7-L9 PolarHBondContact O-N 2.82Å; L9-Q11 PolarHBondContact O-N 2.88Å
10	S	30.4	Very low	32.9	Very low	113 Å²	113	156.2 Å²	156.2	79%	0.79	83%	0.826	S	S	*	*			trans	-80.8	88	164	60.6	0	0	0	0	108.3	L8	L8-S10 VanDerWaalsContact C-N 3.3Å; L8-S10 PolarHBondContact O-N 3.06Å
11	Q	32.3	Very low	33.1	Very low	162 Å²	162	152.6 Å²	152.6	76%	0.757	82%	0.819	S	S	*	*			trans	-114.9	113.6	164.5	-70.1	-163.5	6.7	0	0	108.3	L9 I13	L9-Q11 PolarHBondContact O-N 2.88Å; Q11-I13 PolarHBondContact O-N 3.04Å
12	G	27.4	Very low	33.1	Very low	69 Å²	69	144.8 Å²	144.8	71%	0.711	79%	0.793	S	S	*	*			trans	-56.3	129.9	-174.5	0	0	0	0	0	111.3	H14	G12-H14 PolarHBondContact O-N 3.08Å
13	I	32	Very low	33.4	Very low	171 Å²	171	144.1 Å²	144.1	88%	0.877	80%	0.795	S	S	*	*			trans	-58.5	110.4	155.4	54.2	176	0	0	0	106.1	Q11 S15	Q11-I13 PolarHBondContact O-N 3.04Å; I13-S15 PolarHBondContact O-N 3.27Å
14	H	30	Very low	33.2	Very low	183 Å²	183	142.9 Å²	142.9	85%	0.847	79%	0.789	S	S	*	*			trans	-52.8	124	167.8	-103.8	42.7	0	0	0	107	G12 A16	G12-H14 PolarHBondContact O-N 3.08Å; H14-A16 PolarHBondContact O-N 3.19Å
15	S	33.9	Very low	33.1	Very low	105 Å²	105	141.4 Å²	141.4	73%	0.734	79%	0.786	S	S	*	*			trans	-47	115.8	169.8	42.1	0	0	0	0	108.1	I13 R17	I13-S15 PolarHBondContact O-N 3.27Å; S15-R17 PolarHBondContact O-N 2.9Å
16	A	31.5	Very low	33	Very low	91 Å²	91	138.4 Å²	138.4	75%	0.752	78%	0.776	S	S	*	*			trans	-54.1	116.3	158.3	0	0	0	0	0	104.8	H14 D18	H14-A16 PolarHBondContact O-N 3.19Å; A16-D18 PolarHBondContact O-N 2.61Å; A16-D18 VanDerWaalsContact O-N 3.17Å
17	R	30.4	Very low	33	Very low	230 Å²	230	134.8 Å²	134.8	87%	0.868	76%	0.762	S	S	*	*			trans	-53.1	124.6	-179.9	-66.6	176	179.7	-174.9	-1.8	106.8	S15 D19	S15-R17 PolarHBondContact O-N 2.9Å; R17-D19 VanDerWaalsContact C-N 3.31Å; R17-D19 PolarHBondContact O-N 2.98Å
18	D	32.6	Very low	33	Very low	156 Å²	156	136.6 Å²	136.6	83%	0.834	77%	0.771	S	S	*	*			trans	-50.8	103.8	160.4	-59.9	-54.7	0	0	0	105.9	A16 P20	A16-D18 PolarHBondContact O-N 2.61Å; A16-D18 VanDerWaalsContact O-N 3.17Å; D18-P20 WeakPolarHBondContact O-CD 3.32Å
19	D	33.8	Very low	33.2	Very low	143 Å²	143	132.5 Å²	132.5	77%	0.765	75%	0.749	S	S	*	*			trans	-82.8	107.7	164.1	-112.4	-19.1	0	0	0	104.7	R17 A21	R17-D19 VanDerWaalsContact C-N 3.31Å; R17-D19 PolarHBondContact O-N 2.98Å; D19-A21 PolarHBondContact O-N 3.17Å
20	P	31.3	Very low	33.1	Very low	127 Å²	127	127.8 Å²	127.8	83%	0.825	74%	0.737	S	S	*	*			trans	-79.7	62.5	172.2	35.3	-30.5	0	0	0	107.2	D18 A22	D18-P20 WeakPolarHBondContact O-CD 3.32Å; P20-A22 PolarHBondContact O-N 2.68Å
21	A	37.1	Very low	33.2	Very low	81 Å²	81	128.7 Å²	128.7	67%	0.669	74%	0.74	S	S	*	*			trans	-93.9	85.2	173.9	0	0	0	0	0	108	D19	D19-A21 PolarHBondContact O-N 3.17Å
22	A	37.9	Very low	33.6	Very low	77 Å²	77	129.3 Å²	129.3	64%	0.636	74%	0.735	S	S	*	*			trans	54.7	110.9	148.8	0	0	0	0	0	117.3	P20 S24	P20-A22 PolarHBondContact O-N 2.68Å; A22-S24 PolarHBondContact O-N 2.94Å
23	D	35.5	Very low	33.9	Very low	174 Å²	174	135 Å²	135	93%	0.93	75%	0.746	S	S	*	*			trans	-58.9	55.8	146.7	-61.1	-47.9	0	0	0	110.5	E25	D23-E25 PolarHBondContact O-N 3.2Å
24	S	38.2	Very low	34.2	Very low	75 Å²	75	129.2 Å²	129.2	52%	0.524	72%	0.724	S	S	.	*			trans	-69.2	107.3	174.2	77.8	0	0	0	0	106.6	A22 Y26	A22-S24 PolarHBondContact O-N 2.94Å; S24-Y26 PolarHBondContact O-N 3.32Å
25	E	33.5	Very low	34.7	Very low	184 Å²	184	123.6 Å²	123.6	86%	0.86	71%	0.705	S	S	*	*			trans	-41.3	108.8	162.9	-79	177.5	141.7	0	0	108.4	D23 P27	D23-E25 PolarHBondContact O-N 3.2Å; E25-P27 WeakPolarHBondContact O-CD 3.35Å
26	Y	33.9	Very low	35	Very low	177 Å²	177	127.7 Å²	127.7	69%	0.694	71%	0.712	S	S	*	*			trans	-61.2	121.5	167.2	-70.4	-87.3	0	0	0	106.2	S24 V28 L99	S24-Y26 PolarHBondContact O-N 3.32Å; Y26-V28 PolarHBondContact O-N 3.41Å; Y26-V28 VanDerWaalsContact O-N 3.07Å; Y26-L99 HydrophobicContact CD1-CD2 4.31Å
27	P	31	Very low	35.3	Very low	89 Å²	89	129.2 Å²	129.2	58%	0.578	71%	0.708	S	S	*	*			trans	-58.9	122.5	172.9	22.7	-30	0	0	0	107.4	E25 L29	E25-P27 WeakPolarHBondContact O-CD 3.35Å; P27-L29 VanDerWaalsContact C-N 3.27Å; P27-L29 PolarHBondContact O-N 2.8Å
28	V	34.9	Very low	35.9	Very low	143 Å²	143	122.4 Å²	122.4	87%	0.867	70%	0.701	S	S	*	*			trans	-62.4	98.1	167.7	177.9	0	0	0	0	105.8	Y26 G30	Y26-V28 PolarHBondContact O-N 3.41Å; Y26-V28 VanDerWaalsContact O-N 3.07Å; V28-G30 PolarHBondContact O-N 3.09Å
29	L	37.6	Very low	36.7	Very low	83 Å²	83	119.1 Å²	119.1	44%	0.435	69%	0.69	S	S	.	*			trans	-62.5	107	173	-69.9	171.8	0	0	0	106.7	P27 D98	P27-L29 VanDerWaalsContact C-N 3.27Å; P27-L29 PolarHBondContact O-N 2.8Å; L29-D98 HydrophobicContact CD1-CB 4.07Å
30	G	30.5	Very low	37.6	Very low	50 Å²	50	119.3 Å²	119.3	52%	0.515	69%	0.691	S	S	.	*			trans	-55.6	150.9	171.2	0	0	0	0	0	109.7	V28 R32	V28-G30 PolarHBondContact O-N 3.09Å; G30-R32 PolarHBondContact O-N 2.89Å
31	P	32.7	Very low	38.5	Very low	133 Å²	133	117.3 Å²	117.3	86%	0.864	69%	0.694	S	S	*	*			trans	-56.5	109.3	-177.6	21.3	-31	0	0	0	109.9	M33	P31-M33 PolarHBondContact O-N 2.99Å
32	R	40.4	Very low	39.5	Very low	174 Å²	174	121.3 Å²	121.3	66%	0.657	70%	0.696	S	S	*	*			trans	-62.9	125.5	159.4	-74.5	-174.6	-166.5	-115.7	10	105.5	G30 A34 D98	G30-R32 PolarHBondContact O-N 2.89Å; R32-A34 PolarHBondContact O-N 3.25Å; R32-D98 IonicContact CZ-OD2 3.71Å; R32-D98 IonicContact NE-OD2 3.66Å; R32-D98 IonicContact NH2-OD1 3.94Å; R32-D98 IonicContact NH2-OD2 2.93Å; R32-D98 PolarHBondContact NH2-OD2 2.73Å
33	M	33.6	Very low	40.9	Very low	188 Å²	188	126 Å²	126	93%	0.926	71%	0.707	S	S	*	*			trans	-56.1	105.7	175.8	-71.1	-141.7	152.3	0	0	107.9	P31 S35	P31-M33 PolarHBondContact O-N 2.99Å; M33-S35 PolarHBondContact O-N 3.35Å; M33-S35 VanDerWaalsContact O-N 3.09Å
34	A	37.3	Very low	42.2	Very low	51 Å²	51	119.6 Å²	119.6	42%	0.421	67%	0.672	S	S	.	*			trans	-51	123.4	167.9	0	0	0	0	0	105.8	R32 Q36	R32-A34 PolarHBondContact O-N 3.25Å; A34-Q36 PolarHBondContact O-N 3.25Å
35	S	41.1	Very low	43.9	Very low	64 Å²	64	118.6 Å²	118.6	45%	0.448	67%	0.665	S	S	.	*			trans	-51.7	115.2	165.6	67.3	0	0	0	0	105.4	M33 N37 R90	M33-S35 PolarHBondContact O-N 3.35Å; M33-S35 VanDerWaalsContact O-N 3.09Å; S35-N37 PolarHBondContact O-N 3.45Å; S35-N37 PolarHBondContact OG-OD1 3Å; S35-R90 PolarHBondContact OG-NH1 3.03Å
36	Q	41	Very low	45.9	Very low	191 Å²	191	115.9 Å²	115.9	89%	0.893	66%	0.657	S	S	*	*			trans	-66.6	84.1	170	-69.9	-178.8	-6.9	0	0	105	A34 A38	A34-Q36 PolarHBondContact O-N 3.25Å; Q36-A38 VanDerWaalsContact C-N 3.33Å; Q36-A38 PolarHBondContact O-N 3.31Å
37	N	37.4	Very low	47.8	Very low	124 Å²	124	112.8 Å²	112.8	66%	0.663	65%	0.647	S	S	*	*			trans	-64.2	109.9	161.3	-70.9	6.6	0	0	0	103.5	S35 S39	S35-N37 PolarHBondContact O-N 3.45Å; S35-N37 PolarHBondContact OG-OD1 3Å; N37-S39 PolarHBondContact O-N 3.23Å
38	A	42.5	Very low	49.6	Very low	87 Å²	87	109.4 Å²	109.4	72%	0.719	62%	0.624	S	S	*	*			trans	-51.3	112.4	168.9	0	0	0	0	0	106	Q36 D40	Q36-A38 VanDerWaalsContact C-N 3.33Å; Q36-A38 PolarHBondContact O-N 3.31Å; A38-D40 PolarHBondContact O-N 3.41Å
39	S	48.8	Very low	51.2	Low	86 Å²	86	106.4 Å²	106.4	60%	0.601	60%	0.6	S	S	*	*			trans	-62	111.9	162.1	43.7	0	0	0	0	104.5	N37 G41	N37-S39 PolarHBondContact O-N 3.23Å; S39-G41 PolarHBondContact O-N 2.91Å
40	D	53.1	Low	52.6	Low	148 Å²	148	109 Å²	109	79%	0.791	61%	0.61	S	S	*	*			trans	-47.8	114.8	163.1	-68.7	-30.2	0	0	0	104.4	A38 K42	A38-D40 PolarHBondContact O-N 3.41Å; D40-K42 PolarHBondContact O-N 2.97Å
41	G	50.9	Low	54.1	Low	85 Å²	85	107.7 Å²	107.7	88%	0.876	59%	0.593	S	S	*	*			trans	-64	54.8	-165	0	0	0	0	0	114.4	S39 M43	S39-G41 PolarHBondContact O-N 2.91Å; G41-M43 PolarHBondContact O-N 3.22Å
42	K	58.1	Low	55.4	Low	165 Å²	165	106.7 Å²	106.7	72%	0.717	58%	0.575	S	S	*	*			trans	-80.5	109.4	-177.2	-139.8	173.1	-171.8	175.3	0	105.2	D40 L44	D40-K42 PolarHBondContact O-N 2.97Å; K42-L44 PolarHBondContact O-N 2.9Å
43	M	65.7	Low	56.3	Low	176 Å²	176	102.2 Å²	102.2	87%	0.867	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-56.4	127.4	175.2	-150.1	157.5	91.3	0	0	108.3	G41	G41-M43 PolarHBondContact O-N 3.22Å
44	L	64.5	Low	57.5	Low	39 Å²	39	95 Å²	95	20%	0.204	53%	0.534	C	S	.	.	P	Polyproline II helix	trans	-59.4	138	173.2	-69.2	178	0	0	0	108.6	K42 D48 K83 T84	K42-L44 PolarHBondContact O-N 2.9Å; L44-D48 HydrophobicContact CB-CB 3.95Å; L44-D48 HydrophobicContact CD2-CB 4.05Å; L44-D48 HydrophobicContact CG-CB 4.46Å; L44-K83 HydrophobicContact CD2-CB 3.78Å; L44-T84 HydrophobicContact CD1-CG2 3.93Å; L44-T84 HydrophobicContact CD2-CG2 4.03Å
45	S	73.9	Confident	58.2	Low	54 Å²	54	95.6 Å²	95.6	38%	0.378	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-69.2	160.9	175.4	67.5	0	0	0	0	110.4	K47 D48 H49	S45-K47 PolarHBondContact O-N 2.88Å; S45-K47 VanDerWaalsContact O-N 3.14Å; S45-D48 WeakPolarHBondContact CB-OD2 3.31Å; S45-D48 PolarHBondContact N-OD2 2.86Å; S45-D48 WeakPolarHBondContact O-CA 3.46Å; S45-D48 WeakPolarHBondContact O-CB 3.15Å; S45-D48 PolarHBondContact O-N 2.62Å; S45-D48 PolarHBondContact OG-N 3.38Å; S45-D48 PolarHBondContact OG-OD2 3.18Å; S45-H49 PolarHBondContact O-N 3.38Å
46	D	75.7	Confident	58.9	Low	126 Å²	126	97.5 Å²	97.5	67%	0.674	53%	0.532	S	S	*	.	H	α-helix	trans	-55.9	-32.1	173.4	-66.2	-26.3	0	0	0	112	H49 Q50	D46-H49 PolarHBondContact O-N 3.32Å; D46-Q50 WeakPolarHBondContact O-CB 3.43Å; D46-Q50 VanDerWaalsContact O-CG 3.23Å; D46-Q50 WeakPolarHBondContact O-CG 3.28Å; D46-Q50 PolarHBondContact O-N 3.41Å
47	K	72.5	Confident	59.4	Low	113 Å²	113	94.8 Å²	94.8	49%	0.491	52%	0.519	S	S	.	.	H	α-helix	trans	-63.1	-45.8	173.1	-174.4	-175.2	174.7	-170.6	0	111.1	S45 Q50 C51 E76	S45-K47 PolarHBondContact O-N 2.88Å; S45-K47 VanDerWaalsContact O-N 3.14Å; K47-Q50 PolarHBondContact O-N 3.24Å; K47-C51 WeakPolarHBondContact O-CB 3.41Å; K47-C51 PolarHBondContact O-N 3.13Å; K47-C51 PolarHBondContact O-SG 3.38Å; K47-C51 VanDerWaalsContact O-SG 3.36Å; K47-E76 IonicContact NZ-OE1 2.74Å; K47-E76 PolarHBondContact NZ-OE1 2.96Å
48	D	69.6	Low	59.9	Low	17 Å²	17	94.9 Å²	94.9	9%	0.091	53%	0.529	C	S	.	.	H	α-helix	trans	-65.2	-40.9	179.2	-57.7	-46.4	0	0	0	111.1	L44 S45 C51 F52 F80	L44-D48 HydrophobicContact CB-CB 3.95Å; L44-D48 HydrophobicContact CD2-CB 4.05Å; L44-D48 HydrophobicContact CG-CB 4.46Å; S45-D48 WeakPolarHBondContact CB-OD2 3.31Å; S45-D48 PolarHBondContact N-OD2 2.86Å; S45-D48 WeakPolarHBondContact O-CA 3.46Å; S45-D48 WeakPolarHBondContact O-CB 3.15Å; S45-D48 PolarHBondContact O-N 2.62Å; S45-D48 PolarHBondContact OG-N 3.38Å; S45-D48 PolarHBondContact OG-OD2 3.18Å; D48-C51 PolarHBondContact O-N 2.82Å; D48-F52 PolarHBondContact O-N 2.97Å; D48-F80 WeakPolarHBondContact OD1-CB 3.43Å
49	H	68.9	Low	60.3	Low	80 Å²	80	97 Å²	97	37%	0.37	53%	0.532	S	S	.	.	H	α-helix	trans	-64.6	-43.7	174.7	-75.2	150.6	0	0	0	112.8	S45 D46 C51 F52 N53	S45-H49 PolarHBondContact O-N 3.38Å; D46-H49 PolarHBondContact O-N 3.32Å; H49-C51 PolarHBondContact O-N 2.95Å; H49-F52 PolarHBondContact O-N 3.22Å; H49-N53 WeakPolarHBondContact O-CB 3.32Å; H49-N53 PolarHBondContact O-N 2.97Å; H49-N53 PolarHBondContact O-ND2 2.92Å
50	Q	67	Low	60.2	Low	137 Å²	137	96.7 Å²	96.7	64%	0.64	52%	0.521	S	S	*	.	H	α-helix	trans	-60.3	-39.4	174.6	-76.1	172.5	14.6	0	0	110.8	D46 K47 A54	D46-Q50 WeakPolarHBondContact O-CB 3.43Å; D46-Q50 VanDerWaalsContact O-CG 3.23Å; D46-Q50 WeakPolarHBondContact O-CG 3.28Å; D46-Q50 PolarHBondContact O-N 3.41Å; K47-Q50 PolarHBondContact O-N 3.24Å; Q50-A54 VanDerWaalsContact O-CB 3.26Å; Q50-A54 WeakPolarHBondContact O-CB 3.49Å; Q50-A54 PolarHBondContact O-N 3.14Å
51	C	61.1	Low	60.2	Low	24 Å²	24	97 Å²	97	16%	0.162	52%	0.517	C	S	.	.	H	α-helix	trans	-65.6	-38.1	175.8	-75	0	0	0	0	112.8	K47 D48 H49 Y69	K47-C51 WeakPolarHBondContact O-CB 3.41Å; K47-C51 PolarHBondContact O-N 3.13Å; K47-C51 PolarHBondContact O-SG 3.38Å; K47-C51 VanDerWaalsContact O-SG 3.36Å; D48-C51 PolarHBondContact O-N 2.82Å; H49-C51 PolarHBondContact O-N 2.95Å; C51-Y69 WeakPolarHBondContact CA-OH 3.34Å; C51-Y69 PolarHBondContact O-OH 3.08Å
52	F	60.6	Low	60.5	Low	112 Å²	112	100 Å²	100	49%	0.491	50%	0.503	S	S	.	.	H	α-helix	trans	-71	-43.9	177.2	-172.8	-97.2	0	0	0	112.2	D48 H49 L56	D48-F52 PolarHBondContact O-N 2.97Å; H49-F52 PolarHBondContact O-N 3.22Å; F52-L56 HydrophobicContact CE1-CD1 4.28Å
53	N	59.7	Low	60.5	Low	80 Å²	80	98.2 Å²	98.2	43%	0.428	50%	0.496	S	S	.	.	H	α-helix	trans	-80.5	-25	-171.8	-71	-23.1	0	0	0	114.3	H49 F55 L56	H49-N53 WeakPolarHBondContact O-CB 3.32Å; H49-N53 PolarHBondContact O-N 2.97Å; H49-N53 PolarHBondContact O-ND2 2.92Å; N53-F55 PolarHBondContact O-N 3.3Å; N53-L56 PolarHBondContact O-N 2.96Å
54	A	58.1	Low	60.4	Low	35 Å²	35	95.6 Å²	95.6	29%	0.289	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-22.4	179.6	0	0	0	0	0	113.4	Q50 Y69	Q50-A54 VanDerWaalsContact O-CB 3.26Å; Q50-A54 WeakPolarHBondContact O-CB 3.49Å; Q50-A54 PolarHBondContact O-N 3.14Å; A54-Y69 HydrophobicContact CB-CD2 4.04Å; A54-Y69 HydrophobicContact CB-CE1 4.46Å; A54-Y69 HydrophobicContact CB-CE2 3.44Å; A54-Y69 VanDerWaalsContact CB-CE2 3.44Å
55	F	52	Low	60.9	Low	64 Å²	64	97.8 Å²	97.8	28%	0.281	49%	0.494	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-28.3	176.2	179.8	-100.1	0	0	0	114	N53 E57 A178 V179	N53-F55 PolarHBondContact O-N 3.3Å; F55-E57 VanDerWaalsContact C-N 3.29Å; F55-E57 PolarHBondContact O-N 3.02Å; F55-A178 HydrophobicContact CD1-CB 3.48Å; F55-A178 VanDerWaalsContact CD1-CB 3.48Å; F55-A178 HydrophobicContact CD2-CB 3.76Å; F55-A178 HydrophobicContact CE1-CB 3.35Å; F55-A178 HydrophobicContact CE2-CB 3.66Å; F55-A178 WeakPolarHBondContact CE2-O 3.41Å; F55-A178 HydrophobicContact CG-CB 3.69Å; F55-A178 VanDerWaalsContact CZ-CA 3.5Å; F55-A178 HydrophobicContact CZ-CB 3.46Å; F55-A178 VanDerWaalsContact CZ-CB 3.46Å; F55-A178 VanDerWaalsContact CZ-O 3.3Å; F55-A178 WeakPolarHBondContact CZ-O 3.34Å; F55-V179 WeakPolarHBondContact CZ-O 3.29Å
56	L	54.7	Low	61.1	Low	105 Å²	105	96.5 Å²	96.5	55%	0.55	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-10.5	-173.2	-64.8	176.7	0	0	0	113.4	F52 N53 C58	F52-L56 HydrophobicContact CE1-CD1 4.28Å; N53-L56 PolarHBondContact O-N 2.96Å; L56-C58 PolarHBondContact O-N 2.83Å
57	E	52.2	Low	61.6	Low	133 Å²	133	91.1 Å²	91.1	62%	0.621	46%	0.457	S	S	*	.			trans	-75.1	93.4	177.8	-65.5	-169.4	178.6	0	0	110.2	F55 T59 F60	F55-E57 VanDerWaalsContact C-N 3.29Å; F55-E57 PolarHBondContact O-N 3.02Å; E57-T59 PolarHBondContact O-N 2.76Å; E57-F60 PolarHBondContact O-N 2.88Å
58	C	48.2	Very low	62.2	Low	127 Å²	127	90.5 Å²	90.5	86%	0.858	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	2.1	179.8	-68	0	0	0	0	115.8	L56	L56-C58 PolarHBondContact O-N 2.83Å
59	T	50.8	Low	62.9	Low	130 Å²	130	91.4 Å²	91.4	80%	0.798	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	7	-176.8	52	0	0	0	0	114.1	E57	E57-T59 PolarHBondContact O-N 2.76Å
60	F	47.8	Very low	63.8	Low	81 Å²	81	88.9 Å²	88.9	36%	0.355	45%	0.449	S	S	.	.	S	Bend	trans	-76.9	125.6	-174.7	-143.9	-139.2	0	0	0	111.9	E57 Y62 H65 V66	E57-F60 PolarHBondContact O-N 2.88Å; F60-Y62 VanDerWaalsContact O-CA 3.29Å; F60-Y62 WeakPolarHBondContact O-CA 3.45Å; F60-Y62 PolarHBondContact O-N 2.83Å; F60-H65 HydrophobicContact CD1-CB 3.41Å; F60-H65 VanDerWaalsContact CD1-CB 3.41Å; F60-H65 HydrophobicContact CD2-CB 4.28Å; F60-H65 HydrophobicContact CE1-CB 3.04Å; F60-H65 VanDerWaalsContact CE1-O 3.31Å; F60-H65 WeakPolarHBondContact CE1-O 3.21Å; F60-H65 HydrophobicContact CE2-CB 3.91Å; F60-H65 HydrophobicContact CG-CB 4.06Å; F60-H65 HydrophobicContact CZ-CB 3.32Å; F60-V66 HydrophobicContact CD1-CG2 3.86Å; F60-V66 HydrophobicContact CE1-CG2 4.26Å
61	E	53.1	Low	65	Low	155 Å²	155	84.6 Å²	84.6	72%	0.724	43%	0.432	S	S	*	.			trans	-57	112.6	168.5	-88.8	-168.4	148.5	0	0	108.7	K63 H65	E61-K63 VanDerWaalsContact C-N 3.34Å; E61-K63 PolarHBondContact O-N 3.07Å; E61-H65 PolarHBondContact O-CD2 2.89Å
62	Y	57.2	Low	66.4	Low	147 Å²	147	91.5 Å²	91.5	58%	0.576	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-1.9	-137.1	-144.1	-92.3	0	0	0	116.7	F60 V179	F60-Y62 VanDerWaalsContact O-CA 3.29Å; F60-Y62 WeakPolarHBondContact O-CA 3.45Å; F60-Y62 PolarHBondContact O-N 2.83Å; Y62-V179 PolarHBondContact OH-OXT 3.15Å
63	K	57.5	Low	67.9	Low	128 Å²	128	86.6 Å²	86.6	56%	0.557	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	-73.4	-163.9	-63.4	-174.1	-176.1	178.1	0	115	E61 H65	E61-K63 VanDerWaalsContact C-N 3.34Å; E61-K63 PolarHBondContact O-N 3.07Å; K63-H65 VanDerWaalsContact C-N 3.34Å
64	N	63.1	Low	69.5	Low	121 Å²	121	82.9 Å²	82.9	65%	0.647	42%	0.419	S	S	*	.	H	α-helix	trans	-74.3	-32.8	-175.3	-65.3	-14.9	0	0	0	111	V66 A67 D68	N64-V66 VanDerWaalsContact C-N 3.34Å; N64-V66 PolarHBondContact O-N 3.22Å; N64-A67 PolarHBondContact O-N 3.18Å; N64-D68 WeakPolarHBondContact O-CB 3.39Å; N64-D68 PolarHBondContact O-N 3.17Å
65	H	76	Confident	71.3	Confident	85 Å²	85	85.1 Å²	85.1	39%	0.394	43%	0.431	S	S	.	.	H	α-helix	trans	-65.2	-36	-174.7	-66	-81.2	0	0	0	113.1	F60 E61 K63 Y69	F60-H65 HydrophobicContact CD1-CB 3.41Å; F60-H65 VanDerWaalsContact CD1-CB 3.41Å; F60-H65 HydrophobicContact CD2-CB 4.28Å; F60-H65 HydrophobicContact CE1-CB 3.04Å; F60-H65 VanDerWaalsContact CE1-O 3.31Å; F60-H65 WeakPolarHBondContact CE1-O 3.21Å; F60-H65 HydrophobicContact CE2-CB 3.91Å; F60-H65 HydrophobicContact CG-CB 4.06Å; F60-H65 HydrophobicContact CZ-CB 3.32Å; E61-H65 PolarHBondContact O-CD2 2.89Å; K63-H65 VanDerWaalsContact C-N 3.34Å; H65-Y69 WeakPolarHBondContact O-CB 3.31Å; H65-Y69 PolarHBondContact O-N 2.92Å
66	V	78.3	Confident	73.2	Confident	26 Å²	26	85.7 Å²	85.7	16%	0.158	43%	0.434	C	S	.	.	H	α-helix	trans	-68.5	-45.7	177	178.6	0	0	0	0	110.9	F60 N64 D68 Y69 Y70	F60-V66 HydrophobicContact CD1-CG2 3.86Å; F60-V66 HydrophobicContact CE1-CG2 4.26Å; N64-V66 VanDerWaalsContact C-N 3.34Å; N64-V66 PolarHBondContact O-N 3.22Å; V66-D68 PolarHBondContact O-N 3Å; V66-Y69 WeakPolarHBondContact O-CB 3.2Å; V66-Y69 PolarHBondContact O-N 3.09Å; V66-Y70 HydrophobicContact CG1-CD2 3.71Å; V66-Y70 HydrophobicContact CG1-CE2 3.63Å; V66-Y70 VanDerWaalsContact O-CD2 3.28Å; V66-Y70 WeakPolarHBondContact O-CD2 3.44Å; V66-Y70 PolarHBondContact O-N 2.97Å
67	A	84.3	Confident	75	Confident	14 Å²	14	81.3 Å²	81.3	12%	0.116	41%	0.41	C	S	.	.	H	α-helix	trans	-65.3	-38.6	177.7	0	0	0	0	0	112.2	N64 T71 S135 M155	N64-A67 PolarHBondContact O-N 3.18Å; A67-T71 VanDerWaalsContact O-CB 3.25Å; A67-T71 WeakPolarHBondContact O-CB 3.36Å; A67-T71 PolarHBondContact O-N 2.91Å; A67-T71 PolarHBondContact O-OG1 2.85Å; A67-S135 PolarHBondContact O-OG 2.82Å; A67-M155 HydrophobicContact CB-SD 4.27Å
68	D	85.9	Confident	76.9	Confident	99 Å²	99	77.5 Å²	77.5	53%	0.529	39%	0.394	S	S	.	.	H	α-helix	trans	-65.6	-42.3	175.2	-70	-21.4	0	0	0	111.1	N64 V66 T71 K72	N64-D68 WeakPolarHBondContact O-CB 3.39Å; N64-D68 PolarHBondContact O-N 3.17Å; V66-D68 PolarHBondContact O-N 3Å; D68-T71 WeakPolarHBondContact O-CB 3.46Å; D68-T71 PolarHBondContact O-N 3.11Å; D68-K72 WeakPolarHBondContact O-CB 3.11Å; D68-K72 PolarHBondContact O-N 3.46Å
69	Y	84.6	Confident	79	Confident	37 Å²	37	77.1 Å²	77.1	15%	0.145	38%	0.38	C	S	.	.	H	α-helix	trans	-59.2	-53.1	175.5	174.1	-98.7	0	0	0	111.3	C51 A54 H65 V66 T71 K72 V73	C51-Y69 WeakPolarHBondContact CA-OH 3.34Å; C51-Y69 PolarHBondContact O-OH 3.08Å; A54-Y69 HydrophobicContact CB-CD2 4.04Å; A54-Y69 HydrophobicContact CB-CE1 4.46Å; A54-Y69 HydrophobicContact CB-CE2 3.44Å; A54-Y69 VanDerWaalsContact CB-CE2 3.44Å; H65-Y69 WeakPolarHBondContact O-CB 3.31Å; H65-Y69 PolarHBondContact O-N 2.92Å; V66-Y69 WeakPolarHBondContact O-CB 3.2Å; V66-Y69 PolarHBondContact O-N 3.09Å; Y69-T71 VanDerWaalsContact C-N 3.28Å; Y69-T71 PolarHBondContact O-N 2.97Å; Y69-K72 WeakPolarHBondContact O-CB 3.35Å; Y69-K72 PolarHBondContact O-N 3.27Å; Y69-K72 VanDerWaalsContact O-N 3.1Å; Y69-V73 HydrophobicContact CE1-CG1 4.37Å; Y69-V73 HydrophobicContact CE1-CG2 4.1Å; Y69-V73 HydrophobicContact CE2-CG1 3.82Å; Y69-V73 PolarHBondContact O-N 3.4Å
70	Y	88.5	Confident	80.7	Confident	26 Å²	26	71.5 Å²	71.5	10%	0.102	34%	0.344	C	S	.	.	H	α-helix	trans	-63	-35.7	176.6	-79.3	-60.1	0	0	0	112.4	V66 K72 V73 A74 Y77 M138 A178	V66-Y70 HydrophobicContact CG1-CD2 3.71Å; V66-Y70 HydrophobicContact CG1-CE2 3.63Å; V66-Y70 VanDerWaalsContact O-CD2 3.28Å; V66-Y70 WeakPolarHBondContact O-CD2 3.44Å; V66-Y70 PolarHBondContact O-N 2.97Å; Y70-K72 VanDerWaalsContact C-N 3.29Å; Y70-K72 PolarHBondContact O-N 3.19Å; Y70-V73 HydrophobicContact CD1-CG2 4.23Å; Y70-V73 PolarHBondContact O-N 3.17Å; Y70-A74 VanDerWaalsContact O-CB 3.31Å; Y70-A74 WeakPolarHBondContact O-CB 3.21Å; Y70-A74 PolarHBondContact O-N 3.24Å; Y70-Y77 HydrophobicContact CD1-CE2 4.38Å; Y70-Y77 HydrophobicContact CE1-CE2 4.11Å; Y70-M138 HydrophobicContact CD1-CE 3.33Å; Y70-M138 HydrophobicContact CE1-CE 4.26Å; Y70-M138 HydrophobicContact CG-CE 3.94Å; Y70-M138 WeakPolarHBondContact O-CE 3.4Å; Y70-A178 WeakPolarHBondContact OH-CB 3.31Å; Y70-A178 PolarHBondContact OH-O 3Å; Y70-A178 VanDerWaalsContact OH-O 3.05Å
71	T	91.7	Very high	82.5	Confident	48 Å²	48	68.5 Å²	68.5	29%	0.294	33%	0.332	S	S	.	.	H	α-helix	trans	-60.8	-41.8	174	-66.9	0	0	0	0	111.3	A67 D68 Y69 S135 E136 G137	A67-T71 VanDerWaalsContact O-CB 3.25Å; A67-T71 WeakPolarHBondContact O-CB 3.36Å; A67-T71 PolarHBondContact O-N 2.91Å; A67-T71 PolarHBondContact O-OG1 2.85Å; D68-T71 WeakPolarHBondContact O-CB 3.46Å; D68-T71 PolarHBondContact O-N 3.11Å; Y69-T71 VanDerWaalsContact C-N 3.28Å; Y69-T71 PolarHBondContact O-N 2.97Å; T71-S135 VanDerWaalsContact CA-OG 3.3Å; T71-S135 WeakPolarHBondContact CA-OG 3.42Å; T71-S135 PolarHBondContact N-OG 3.11Å; T71-S135 VanDerWaalsContact N-OG 3.08Å; T71-S135 PolarHBondContact OG1-OG 2.49Å; T71-E136 PolarHBondContact OG1-N 3.26Å; T71-G137 PolarHBondContact OG1-N 3.13Å
72	K	91.2	Very high	84.2	Confident	168 Å²	168	64.7 Å²	64.7	73%	0.73	33%	0.327	S	S	*	.	H	α-helix	trans	-65.5	-42	178.7	-179.4	-176.5	175.9	-174.5	0	112.4	D68 Y69 Y70	D68-K72 WeakPolarHBondContact O-CB 3.11Å; D68-K72 PolarHBondContact O-N 3.46Å; Y69-K72 WeakPolarHBondContact O-CB 3.35Å; Y69-K72 PolarHBondContact O-N 3.27Å; Y69-K72 VanDerWaalsContact O-N 3.1Å; Y70-K72 VanDerWaalsContact C-N 3.29Å; Y70-K72 PolarHBondContact O-N 3.19Å
73	V	90.6	Very high	85.7	Confident	10 Å²	10	61.6 Å²	61.6	6%	0.061	32%	0.316	C	S	.	.	H	α-helix	trans	-90.1	-11.1	-175.8	-56.6	0	0	0	0	114.3	Y69 Y70 E76 Y77 M138	Y69-V73 HydrophobicContact CE1-CG1 4.37Å; Y69-V73 HydrophobicContact CE1-CG2 4.1Å; Y69-V73 HydrophobicContact CE2-CG1 3.82Å; Y69-V73 PolarHBondContact O-N 3.4Å; Y70-V73 HydrophobicContact CD1-CG2 4.23Å; Y70-V73 PolarHBondContact O-N 3.17Å; V73-E76 PolarHBondContact O-N 3.37Å; V73-Y77 HydrophobicContact CG2-CD2 4.14Å; V73-Y77 PolarHBondContact O-N 2.91Å; V73-Y77 VanDerWaalsContact O-N 3.11Å; V73-M138 HydrophobicContact CG2-CE 4.25Å
74	A	93.7	Very high	87.1	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.008	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-49.9	-43.3	-176.7	0	0	0	0	0	114.9	Y70 E76 Y77 G137 M138 Q141	Y70-A74 VanDerWaalsContact O-CB 3.31Å; Y70-A74 WeakPolarHBondContact O-CB 3.21Å; Y70-A74 PolarHBondContact O-N 3.24Å; A74-E76 VanDerWaalsContact C-N 3.26Å; A74-E76 PolarHBondContact O-N 3.48Å; A74-Y77 WeakPolarHBondContact O-CB 3.38Å; A74-Y77 PolarHBondContact O-N 3.17Å; A74-G137 WeakPolarHBondContact CB-O 3.23Å; A74-M138 HydrophobicContact CB-CE 4.23Å; A74-M138 HydrophobicContact CB-CG 4.3Å; A74-M138 HydrophobicContact CB-SD 3.68Å; A74-Q141 HydrophobicContact CB-CG 3.88Å
75	P	95.5	Very high	88.2	Confident	83 Å²	83	54.5 Å²	54.5	54%	0.539	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-61.7	-30.3	-177	-22	34.3	0	0	0	114.7
76	E	92.6	Very high	88.5	Confident	76 Å²	76	53.6 Å²	53.6	36%	0.355	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-106.2	4	179.3	-58	102.7	129.6	0	0	113.1	K47 V73 A74 D78 E79 F80	K47-E76 IonicContact NZ-OE1 2.74Å; K47-E76 PolarHBondContact NZ-OE1 2.96Å; V73-E76 PolarHBondContact O-N 3.37Å; A74-E76 VanDerWaalsContact C-N 3.26Å; A74-E76 PolarHBondContact O-N 3.48Å; E76-D78 PolarHBondContact O-N 3.45Å; E76-E79 PolarHBondContact O-N 3.49Å; E76-F80 WeakPolarHBondContact O-CD1 3.29Å; E76-F80 PolarHBondContact O-N 2.88Å; E76-F80 VanDerWaalsContact O-N 3.1Å
77	Y	91.3	Very high	89.1	Confident	13 Å²	13	55.4 Å²	55.4	5%	0.051	30%	0.3	C	S	.	.	H	α-helix	trans	-59.9	-52.3	-168	-172.7	-89.6	0	0	0	113.2	Y70 V73 A74 E79 F80 M81 T114 M116 M138	Y70-Y77 HydrophobicContact CD1-CE2 4.38Å; Y70-Y77 HydrophobicContact CE1-CE2 4.11Å; V73-Y77 HydrophobicContact CG2-CD2 4.14Å; V73-Y77 PolarHBondContact O-N 2.91Å; V73-Y77 VanDerWaalsContact O-N 3.11Å; A74-Y77 WeakPolarHBondContact O-CB 3.38Å; A74-Y77 PolarHBondContact O-N 3.17Å; Y77-E79 VanDerWaalsContact C-N 3.26Å; Y77-E79 PolarHBondContact O-N 3.22Å; Y77-F80 VanDerWaalsContact CA-CD1 3.45Å; Y77-F80 VanDerWaalsContact CA-CE1 3.41Å; Y77-F80 HydrophobicContact CD2-CD1 4.47Å; Y77-F80 AromaticContact CD2-CE1 3.32Å; Y77-F80 HydrophobicContact CD2-CE1 3.32Å; Y77-F80 AromaticContact CD2-CZ 3.38Å; Y77-F80 HydrophobicContact CD2-CZ 3.38Å; Y77-F80 AromaticContact CE2-CE1 3.99Å; Y77-F80 HydrophobicContact CE2-CE1 3.99Å; Y77-F80 AromaticContact CE2-CZ 3.53Å; Y77-F80 HydrophobicContact CE2-CZ 3.53Å; Y77-F80 AromaticContact CG-CE1 3.81Å; Y77-F80 HydrophobicContact CG-CE1 3.81Å; Y77-F80 HydrophobicContact CG-CZ 4.14Å; Y77-F80 WeakPolarHBondContact O-CD1 3.43Å; Y77-F80 PolarHBondContact O-N 2.67Å; Y77-M81 HydrophobicContact CD1-CG 3.87Å; Y77-M81 HydrophobicContact CE1-CG 3.54Å; Y77-M81 HydrophobicContact CE1-SD 4.45Å; Y77-M81 HydrophobicContact CE2-CG 4.24Å; Y77-M81 HydrophobicContact CE2-SD 4.4Å; Y77-M81 HydrophobicContact CG-CG 4.35Å; Y77-M81 WeakPolarHBondContact O-CB 3.48Å; Y77-M81 VanDerWaalsContact O-CG 3.27Å; Y77-M81 WeakPolarHBondContact O-CG 3.25Å; Y77-M81 PolarHBondContact O-N 3.03Å; Y77-T114 HydrophobicContact CD1-CG2 3.92Å; Y77-T114 HydrophobicContact CG-CG2 4.13Å; Y77-M116 HydrophobicContact CD1-CE 3.85Å; Y77-M116 HydrophobicContact CE1-CE 3.56Å; Y77-M138 HydrophobicContact CD1-CE 4.47Å; Y77-M138 HydrophobicContact CD2-CE 3.49Å; Y77-M138 VanDerWaalsContact CD2-CE 3.49Å; Y77-M138 HydrophobicContact CE2-CE 3.91Å; Y77-M138 HydrophobicContact CG-CE 3.82Å; Y77-M138 HydrophobicContact CG-SD 4.49Å
78	D	93.3	Very high	89.2	Confident	52 Å²	52	55.4 Å²	55.4	28%	0.278	30%	0.301	S	S	.	.	H	α-helix	trans	-60.3	-37.5	-179.7	-71.4	10.2	0	0	0	112.1	E76 A82 T114 M116 K145	E76-D78 PolarHBondContact O-N 3.45Å; D78-A82 WeakPolarHBondContact O-CB 3.36Å; D78-A82 PolarHBondContact O-N 3.23Å; D78-T114 WeakPolarHBondContact OD1-CB 3.3Å; D78-T114 PolarHBondContact OD1-OG1 3.31Å; D78-M116 HydrophobicContact CB-SD 4.38Å; D78-K145 IonicContact OD1-NZ 2.69Å; D78-K145 WeakPolarHBondContact OD2-CE 3.48Å; D78-K145 IonicContact OD2-NZ 2.81Å; D78-K145 PolarHBondContact OD2-NZ 3.26Å
79	E	92.1	Very high	89.5	Confident	119 Å²	119	51.1 Å²	51.1	56%	0.556	28%	0.279	S	S	*	.	H	α-helix	trans	-67.9	-46.3	-178.7	-166.9	-163.9	141.4	0	0	111.4	E76 Y77 A82 K83	E76-E79 PolarHBondContact O-N 3.49Å; Y77-E79 VanDerWaalsContact C-N 3.26Å; Y77-E79 PolarHBondContact O-N 3.22Å; E79-A82 PolarHBondContact O-N 2.87Å; E79-K83 WeakPolarHBondContact O-CG 3.4Å; E79-K83 PolarHBondContact O-N 3.23Å; E79-K83 VanDerWaalsContact OE1-CE 3.27Å; E79-K83 WeakPolarHBondContact OE1-CE 3.43Å; E79-K83 IonicContact OE1-NZ 3.98Å; E79-K83 PolarHBondContact OE1-NZ 2.93Å
80	F	86.2	Confident	89.9	Confident	13 Å²	13	52.4 Å²	52.4	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-71.2	-36.9	179.8	86.3	-108.3	0	0	0	111.5	D48 E76 Y77 A82 K83 T84	D48-F80 WeakPolarHBondContact OD1-CB 3.43Å; E76-F80 WeakPolarHBondContact O-CD1 3.29Å; E76-F80 PolarHBondContact O-N 2.88Å; E76-F80 VanDerWaalsContact O-N 3.1Å; Y77-F80 VanDerWaalsContact CA-CD1 3.45Å; Y77-F80 VanDerWaalsContact CA-CE1 3.41Å; Y77-F80 HydrophobicContact CD2-CD1 4.47Å; Y77-F80 AromaticContact CD2-CE1 3.32Å; Y77-F80 HydrophobicContact CD2-CE1 3.32Å; Y77-F80 AromaticContact CD2-CZ 3.38Å; Y77-F80 HydrophobicContact CD2-CZ 3.38Å; Y77-F80 AromaticContact CE2-CE1 3.99Å; Y77-F80 HydrophobicContact CE2-CE1 3.99Å; Y77-F80 AromaticContact CE2-CZ 3.53Å; Y77-F80 HydrophobicContact CE2-CZ 3.53Å; Y77-F80 AromaticContact CG-CE1 3.81Å; Y77-F80 HydrophobicContact CG-CE1 3.81Å; Y77-F80 HydrophobicContact CG-CZ 4.14Å; Y77-F80 WeakPolarHBondContact O-CD1 3.43Å; Y77-F80 PolarHBondContact O-N 2.67Å; F80-A82 VanDerWaalsContact C-N 3.28Å; F80-A82 PolarHBondContact O-N 3.04Å; F80-K83 WeakPolarHBondContact O-CB 3.3Å; F80-K83 PolarHBondContact O-N 3.3Å; F80-K83 VanDerWaalsContact O-N 3.12Å; F80-T84 WeakPolarHBondContact O-CG2 3.29Å; F80-T84 PolarHBondContact O-N 2.8Å
81	M	86.4	Confident	89.9	Confident	18 Å²	18	54.2 Å²	54.2	9%	0.089	29%	0.294	C	S	.	.	H	α-helix	trans	-65	-33	175.3	-66.6	-55.8	-72.5	0	0	111.9	Y77 K83 T84 Y86 M116	Y77-M81 HydrophobicContact CD1-CG 3.87Å; Y77-M81 HydrophobicContact CE1-CG 3.54Å; Y77-M81 HydrophobicContact CE1-SD 4.45Å; Y77-M81 HydrophobicContact CE2-CG 4.24Å; Y77-M81 HydrophobicContact CE2-SD 4.4Å; Y77-M81 HydrophobicContact CG-CG 4.35Å; Y77-M81 WeakPolarHBondContact O-CB 3.48Å; Y77-M81 VanDerWaalsContact O-CG 3.27Å; Y77-M81 WeakPolarHBondContact O-CG 3.25Å; Y77-M81 PolarHBondContact O-N 3.03Å; M81-K83 VanDerWaalsContact C-N 3.32Å; M81-K83 PolarHBondContact O-N 3.27Å; M81-T84 PolarHBondContact O-N 2.82Å; M81-T84 PolarHBondContact O-OG1 3.45Å; M81-Y86 HydrophobicContact CB-CD1 4.12Å; M81-Y86 HydrophobicContact CE-CD1 3.24Å; M81-Y86 HydrophobicContact CE-CD2 3.77Å; M81-Y86 HydrophobicContact CE-CE1 3.66Å; M81-Y86 HydrophobicContact CE-CE2 4.19Å; M81-Y86 HydrophobicContact CE-CG 3.29Å; M81-Y86 HydrophobicContact CG-CD1 4.43Å; M81-Y86 WeakPolarHBondContact O-CB 3.46Å; M81-Y86 PolarHBondContact O-N 3.4Å; M81-M116 HydrophobicContact CB-CE 4.23Å; M81-M116 HydrophobicContact CG-CE 4.32Å
82	A	89	Confident	89.8	Confident	75 Å²	75	52.2 Å²	52.2	62%	0.62	28%	0.282	S	S	*	.	H	α-helix	trans	-63.6	-37.7	172.7	0	0	0	0	0	112.1	D78 E79 F80 T84 G85	D78-A82 WeakPolarHBondContact O-CB 3.36Å; D78-A82 PolarHBondContact O-N 3.23Å; E79-A82 PolarHBondContact O-N 2.87Å; F80-A82 VanDerWaalsContact C-N 3.28Å; F80-A82 PolarHBondContact O-N 3.04Å; A82-T84 VanDerWaalsContact C-N 3.29Å; A82-T84 PolarHBondContact O-N 3.22Å; A82-G85 PolarHBondContact O-N 3.4Å
83	K	88.6	Confident	89.8	Confident	81 Å²	81	44.2 Å²	44.2	35%	0.352	25%	0.247	S	C	.	.	H	α-helix	trans	-67.8	-27	178	-66.1	169.3	-169.6	163	0	113.1	L44 E79 F80 M81 G85	L44-K83 HydrophobicContact CD2-CB 3.78Å; E79-K83 WeakPolarHBondContact O-CG 3.4Å; E79-K83 PolarHBondContact O-N 3.23Å; E79-K83 VanDerWaalsContact OE1-CE 3.27Å; E79-K83 WeakPolarHBondContact OE1-CE 3.43Å; E79-K83 IonicContact OE1-NZ 3.98Å; E79-K83 PolarHBondContact OE1-NZ 2.93Å; F80-K83 WeakPolarHBondContact O-CB 3.3Å; F80-K83 PolarHBondContact O-N 3.3Å; F80-K83 VanDerWaalsContact O-N 3.12Å; M81-K83 VanDerWaalsContact C-N 3.32Å; M81-K83 PolarHBondContact O-N 3.27Å; K83-G85 VanDerWaalsContact C-N 3.25Å; K83-G85 PolarHBondContact O-N 3.31Å
84	T	85.9	Confident	89.9	Confident	55 Å²	55	47 Å²	47	34%	0.337	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-7.6	177.6	67.4	0	0	0	0	112.5	L44 F80 M81 A82 Y86	L44-T84 HydrophobicContact CD1-CG2 3.93Å; L44-T84 HydrophobicContact CD2-CG2 4.03Å; F80-T84 WeakPolarHBondContact O-CG2 3.29Å; F80-T84 PolarHBondContact O-N 2.8Å; M81-T84 PolarHBondContact O-N 2.82Å; M81-T84 PolarHBondContact O-OG1 3.45Å; A82-T84 VanDerWaalsContact C-N 3.29Å; A82-T84 PolarHBondContact O-N 3.22Å; T84-Y86 VanDerWaalsContact C-N 3.26Å; T84-Y86 WeakPolarHBondContact OG1-CB 3.34Å; T84-Y86 PolarHBondContact OG1-N 2.95Å
85	G	85.7	Confident	89.8	Confident	46 Å²	46	50.6 Å²	50.6	47%	0.474	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	19.3	-172.2	0	0	0	0	0	113.2	A82 K83 N87	A82-G85 PolarHBondContact O-N 3.4Å; K83-G85 VanDerWaalsContact C-N 3.25Å; K83-G85 PolarHBondContact O-N 3.31Å; G85-N87 PolarHBondContact O-N 2.9Å; G85-N87 VanDerWaalsContact O-N 3.15Å
86	Y	84.2	Confident	89.5	Confident	66 Å²	66	46.8 Å²	46.8	26%	0.259	25%	0.253	S	S	.	.			trans	-59.7	118.1	-179.4	178.5	-123.5	0	0	0	111.5	M81 T84 P89 M116	M81-Y86 HydrophobicContact CB-CD1 4.12Å; M81-Y86 HydrophobicContact CE-CD1 3.24Å; M81-Y86 HydrophobicContact CE-CD2 3.77Å; M81-Y86 HydrophobicContact CE-CE1 3.66Å; M81-Y86 HydrophobicContact CE-CE2 4.19Å; M81-Y86 HydrophobicContact CE-CG 3.29Å; M81-Y86 HydrophobicContact CG-CD1 4.43Å; M81-Y86 WeakPolarHBondContact O-CB 3.46Å; M81-Y86 PolarHBondContact O-N 3.4Å; T84-Y86 VanDerWaalsContact C-N 3.26Å; T84-Y86 WeakPolarHBondContact OG1-CB 3.34Å; T84-Y86 PolarHBondContact OG1-N 2.95Å; Y86-P89 HydrophobicContact CD1-CG 4.3Å; Y86-P89 HydrophobicContact CE1-CG 3.8Å; Y86-M116 HydrophobicContact CD1-CE 4.37Å; Y86-M116 HydrophobicContact CE1-CE 4.31Å
87	N	89	Confident	89.6	Confident	63 Å²	63	45.1 Å²	45.1	34%	0.337	25%	0.247	S	C	.	.			trans	-117.2	7.8	-175	66.5	-2.5	0	0	0	113.3	G85 R90 I91	G85-N87 PolarHBondContact O-N 2.9Å; G85-N87 VanDerWaalsContact O-N 3.15Å; N87-R90 PolarHBondContact O-N 3.1Å; N87-R90 VanDerWaalsContact O-N 3.09Å; N87-I91 PolarHBondContact O-N 3.04Å; N87-I91 VanDerWaalsContact O-N 3.11Å; N87-I91 WeakPolarHBondContact OD1-CD1 3.34Å
88	G	87.2	Confident	89.6	Confident	14 Å²	14	47.4 Å²	47.4	14%	0.144	26%	0.259	C	S	.	.	H	α-helix	trans	-47.6	-54.5	178.4	0	0	0	0	0	112.8	R90 I91 V92	G88-R90 VanDerWaalsContact C-N 3.27Å; G88-R90 PolarHBondContact O-N 2.89Å; G88-I91 PolarHBondContact O-N 2.91Å; G88-I91 VanDerWaalsContact O-N 3.11Å; G88-V92 WeakPolarHBondContact O-CG2 3.38Å; G88-V92 PolarHBondContact O-N 3.15Å
89	P	91.8	Very high	89.5	Confident	10 Å²	10	48.2 Å²	48.2	7%	0.065	26%	0.263	C	S	.	.	H	α-helix	trans	-52.6	-41.4	178.7	-31.9	37.5	0	0	0	113.9	Y86 V92 G93 M116 E120	Y86-P89 HydrophobicContact CD1-CG 4.3Å; Y86-P89 HydrophobicContact CE1-CG 3.8Å; P89-V92 WeakPolarHBondContact O-CB 3.09Å; P89-V92 PolarHBondContact O-N 3.41Å; P89-G93 PolarHBondContact O-N 3.43Å; P89-M116 HydrophobicContact CB-CB 3.75Å; P89-M116 HydrophobicContact CG-CB 3.51Å; P89-M116 HydrophobicContact CG-CE 4.39Å; P89-M116 HydrophobicContact CG-SD 4.33Å; P89-E120 HydrophobicContact CB-CG 3.96Å; P89-E120 VanDerWaalsContact O-CB 3.25Å; P89-E120 WeakPolarHBondContact O-CB 3.37Å; P89-E120 WeakPolarHBondContact O-CG 3.38Å
90	R	92.9	Very high	89.4	Confident	63 Å²	63	43.2 Å²	43.2	24%	0.238	24%	0.241	C	C	.	.	H	α-helix	trans	-66.7	-48.3	179.4	-177.4	-176.1	66.8	173.4	-0.3	110.8	S35 N87 G88 V92 G93 E94	S35-R90 PolarHBondContact OG-NH1 3.03Å; N87-R90 PolarHBondContact O-N 3.1Å; N87-R90 VanDerWaalsContact O-N 3.09Å; G88-R90 VanDerWaalsContact C-N 3.27Å; G88-R90 PolarHBondContact O-N 2.89Å; R90-V92 PolarHBondContact O-N 3.22Å; R90-G93 PolarHBondContact O-N 3.23Å; R90-G93 VanDerWaalsContact O-N 3.17Å; R90-E94 WeakPolarHBondContact O-CG 3.4Å; R90-E94 PolarHBondContact O-N 2.98Å
91	I	90.1	Very high	89.7	Confident	65 Å²	65	51 Å²	51	33%	0.333	28%	0.278	S	S	.	.	H	α-helix	trans	-56.6	-40	177.8	-66.8	169.7	0	0	0	110.2	N87 G88 E94 I95	N87-I91 PolarHBondContact O-N 3.04Å; N87-I91 VanDerWaalsContact O-N 3.11Å; N87-I91 WeakPolarHBondContact OD1-CD1 3.34Å; G88-I91 PolarHBondContact O-N 2.91Å; G88-I91 VanDerWaalsContact O-N 3.11Å; I91-E94 PolarHBondContact O-N 3.35Å; I91-I95 HydrophobicContact CG2-CD1 3.68Å; I91-I95 HydrophobicContact CG2-CG1 4.36Å; I91-I95 WeakPolarHBondContact O-CB 3.46Å; I91-I95 VanDerWaalsContact O-CG1 3.29Å; I91-I95 WeakPolarHBondContact O-CG1 3.2Å; I91-I95 PolarHBondContact O-N 2.94Å
92	V	88	Confident	90	Very high	6 Å²	6	53.4 Å²	53.4	4%	0.036	29%	0.291	C	S	.	.	H	α-helix	trans	-65.1	-49.4	177.1	173	0	0	0	0	112	G88 P89 R90 E94 I95 V96 Y173	G88-V92 WeakPolarHBondContact O-CG2 3.38Å; G88-V92 PolarHBondContact O-N 3.15Å; P89-V92 WeakPolarHBondContact O-CB 3.09Å; P89-V92 PolarHBondContact O-N 3.41Å; R90-V92 PolarHBondContact O-N 3.22Å; V92-E94 PolarHBondContact O-N 3.48Å; V92-I95 PolarHBondContact O-N 2.9Å; V92-V96 HydrophobicContact CG1-CG2 4.14Å; V92-V96 WeakPolarHBondContact O-CB 2.87Å; V92-V96 VanDerWaalsContact O-CG2 3.3Å; V92-V96 WeakPolarHBondContact O-CG2 3.36Å; V92-V96 PolarHBondContact O-N 3.34Å; V92-Y173 HydrophobicContact CB-CE1 3.96Å; V92-Y173 HydrophobicContact CB-CE2 4.33Å; V92-Y173 HydrophobicContact CG1-CD1 3.46Å; V92-Y173 VanDerWaalsContact CG1-CD1 3.46Å; V92-Y173 HydrophobicContact CG1-CD2 3.96Å; V92-Y173 HydrophobicContact CG1-CE1 3.28Å; V92-Y173 HydrophobicContact CG1-CE2 3.86Å; V92-Y173 HydrophobicContact CG1-CG 3.82Å; V92-Y173 HydrophobicContact CG2-CD1 4.42Å; V92-Y173 HydrophobicContact CG2-CE1 3.44Å; V92-Y173 VanDerWaalsContact CG2-CE1 3.44Å; V92-Y173 HydrophobicContact CG2-CE2 3.61Å; V92-Y173 WeakPolarHBondContact CG2-OH 3.34Å
93	G	91.7	Very high	90.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-54.2	-43.8	176.8	0	0	0	0	0	111.7	P89 R90 N97 H124	P89-G93 PolarHBondContact O-N 3.43Å; R90-G93 PolarHBondContact O-N 3.23Å; R90-G93 VanDerWaalsContact O-N 3.17Å; G93-N97 WeakPolarHBondContact O-CB 3.32Å; G93-N97 PolarHBondContact O-N 2.69Å; G93-H124 PolarHBondContact O-CD2 3.07Å; G93-H124 VanDerWaalsContact O-CD2 3.25Å
94	E	93.1	Very high	90.3	Very high	69 Å²	69	52.3 Å²	52.3	32%	0.322	28%	0.281	S	S	.	.	H	α-helix	trans	-65.3	-49.1	177.2	-69.8	173.4	-178.6	0	0	112.3	R90 I91 V92 N97 D98	R90-E94 WeakPolarHBondContact O-CG 3.4Å; R90-E94 PolarHBondContact O-N 2.98Å; I91-E94 PolarHBondContact O-N 3.35Å; V92-E94 PolarHBondContact O-N 3.48Å; E94-N97 WeakPolarHBondContact O-CB 3.36Å; E94-N97 PolarHBondContact O-N 3.07Å; E94-D98 WeakPolarHBondContact O-CB 3.12Å; E94-D98 PolarHBondContact O-N 2.55Å
95	I	90.6	Very high	90.6	Very high	76 Å²	76	50 Å²	50	39%	0.39	27%	0.267	S	S	.	.	H	α-helix	trans	-62.7	-45.8	179.4	-71.2	171	0	0	0	111.1	I91 V92 N97 D98 L99	I91-I95 HydrophobicContact CG2-CD1 3.68Å; I91-I95 HydrophobicContact CG2-CG1 4.36Å; I91-I95 WeakPolarHBondContact O-CB 3.46Å; I91-I95 VanDerWaalsContact O-CG1 3.29Å; I91-I95 WeakPolarHBondContact O-CG1 3.2Å; I91-I95 PolarHBondContact O-N 2.94Å; V92-I95 PolarHBondContact O-N 2.9Å; I95-N97 VanDerWaalsContact C-N 3.27Å; I95-N97 PolarHBondContact O-N 2.49Å; I95-D98 PolarHBondContact O-N 2.91Å; I95-L99 HydrophobicContact CG2-CD1 3.59Å; I95-L99 HydrophobicContact CG2-CG 4.18Å; I95-L99 WeakPolarHBondContact O-CB 3.41Å; I95-L99 WeakPolarHBondContact O-CG 3.21Å; I95-L99 PolarHBondContact O-N 3.14Å
96	V	90.3	Very high	90.8	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-62.4	-39.2	177.4	173.2	0	0	0	0	110.2	V92 V100 L107 M121 F126 L171	V92-V96 HydrophobicContact CG1-CG2 4.14Å; V92-V96 WeakPolarHBondContact O-CB 2.87Å; V92-V96 VanDerWaalsContact O-CG2 3.3Å; V92-V96 WeakPolarHBondContact O-CG2 3.36Å; V92-V96 PolarHBondContact O-N 3.34Å; V96-V100 HydrophobicContact CG1-CG2 4.33Å; V96-V100 VanDerWaalsContact O-CB 3.31Å; V96-V100 WeakPolarHBondContact O-CB 3.48Å; V96-V100 PolarHBondContact O-N 3.47Å; V96-L107 HydrophobicContact CG1-CD1 3.69Å; V96-L107 HydrophobicContact CG1-CD2 4.44Å; V96-M121 HydrophobicContact CB-CG 4.34Å; V96-M121 HydrophobicContact CB-SD 4.41Å; V96-M121 HydrophobicContact CG1-CG 4.25Å; V96-M121 HydrophobicContact CG1-SD 4.06Å; V96-M121 HydrophobicContact CG2-CG 4.48Å; V96-M121 HydrophobicContact CG2-SD 4.13Å; V96-F126 HydrophobicContact CG1-CD2 4.26Å; V96-F126 HydrophobicContact CG1-CE1 4.47Å; V96-F126 HydrophobicContact CG1-CE2 3.73Å; V96-F126 HydrophobicContact CG1-CZ 3.84Å; V96-L171 HydrophobicContact CG2-CD2 4.2Å
97	N	94.2	Very high	91.2	Very high	41 Å²	41	47.5 Å²	47.5	22%	0.219	24%	0.243	C	C	.	.	H	α-helix	trans	-63.8	-40.3	175.7	177.1	72.3	0	0	0	113.4	G93 E94 I95 K103 H124 F126	G93-N97 WeakPolarHBondContact O-CB 3.32Å; G93-N97 PolarHBondContact O-N 2.69Å; E94-N97 WeakPolarHBondContact O-CB 3.36Å; E94-N97 PolarHBondContact O-N 3.07Å; I95-N97 VanDerWaalsContact C-N 3.27Å; I95-N97 PolarHBondContact O-N 2.49Å; N97-K103 PolarHBondContact O-NZ 2.86Å; N97-K103 PolarHBondContact OD1-NZ 3.18Å; N97-H124 HydrophobicContact CB-CB 3.82Å; N97-F126 HydrophobicContact CB-CE2 4.37Å
98	D	92.2	Very high	91.3	Very high	60 Å²	60	44.8 Å²	44.8	32%	0.321	23%	0.229	S	C	.	.	H	α-helix	trans	-75.2	-33.6	-179	-75.8	6.7	0	0	0	111.6	L29 R32 E94 I95	L29-D98 HydrophobicContact CD1-CB 4.07Å; R32-D98 IonicContact CZ-OD2 3.71Å; R32-D98 IonicContact NE-OD2 3.66Å; R32-D98 IonicContact NH2-OD1 3.94Å; R32-D98 IonicContact NH2-OD2 2.93Å; R32-D98 PolarHBondContact NH2-OD2 2.73Å; E94-D98 WeakPolarHBondContact O-CB 3.12Å; E94-D98 PolarHBondContact O-N 2.55Å; I95-D98 PolarHBondContact O-N 2.91Å
99	L	90.4	Very high	91.6	Very high	69 Å²	69	44.1 Å²	44.1	36%	0.361	22%	0.222	S	C	.	.	H	α-helix	trans	-88.8	-28.4	-179.1	-66.4	179.1	0	0	0	114.3	Y26 I95	Y26-L99 HydrophobicContact CD1-CD2 4.31Å; I95-L99 HydrophobicContact CG2-CD1 3.59Å; I95-L99 HydrophobicContact CG2-CG 4.18Å; I95-L99 WeakPolarHBondContact O-CB 3.41Å; I95-L99 WeakPolarHBondContact O-CG 3.21Å; I95-L99 PolarHBondContact O-N 3.14Å
100	V	90.1	Very high	91.6	Very high	15 Å²	15	44.6 Å²	44.6	9%	0.091	22%	0.224	C	C	.	.			trans	-113.5	97.1	-176.2	-171.4	0	0	0	0	109.8	V96 K103 S105 L107 F126 L171	V96-V100 HydrophobicContact CG1-CG2 4.33Å; V96-V100 VanDerWaalsContact O-CB 3.31Å; V96-V100 WeakPolarHBondContact O-CB 3.48Å; V96-V100 PolarHBondContact O-N 3.47Å; V100-K103 PolarHBondContact O-NZ 3.01Å; V100-S105 WeakPolarHBondContact CG1-OG 3.3Å; V100-L107 HydrophobicContact CG2-CD2 4.45Å; V100-F126 HydrophobicContact CB-CE1 3.91Å; V100-F126 HydrophobicContact CB-CZ 3.84Å; V100-F126 HydrophobicContact CG1-CE1 3.72Å; V100-F126 HydrophobicContact CG1-CZ 4.18Å; V100-F126 WeakPolarHBondContact O-CZ 3.15Å; V100-L171 HydrophobicContact CG2-CD2 3.74Å
101	E	91.4	Very high	91.5	Very high	177 Å²	177	42.7 Å²	42.7	83%	0.827	22%	0.22	S	C	*	.			trans	-66	-47.9	-178.9	-63.7	-176.2	170.7	0	0	112.3	K103	E101-K103 WeakPolarHBondContact O-CE 3.49Å; E101-K103 PolarHBondContact O-N 3.09Å
102	D	92.7	Very high	91.7	Very high	68 Å²	68	39.7 Å²	39.7	36%	0.364	21%	0.206	S	C	.	.			trans	-76.9	105.2	-178.3	173.4	11.8	0	0	0	111	S104 S105 R170	D102-S104 VanDerWaalsContact CG-OG 3.32Å; D102-S104 PolarHBondContact O-N 3.01Å; D102-S104 WeakPolarHBondContact OD1-CA 3.34Å; D102-S104 VanDerWaalsContact OD1-CB 3.31Å; D102-S104 WeakPolarHBondContact OD1-CB 3.45Å; D102-S104 PolarHBondContact OD1-N 3.46Å; D102-S104 PolarHBondContact OD1-OG 3.17Å; D102-S104 PolarHBondContact OD2-OG 3.37Å; D102-S105 WeakPolarHBondContact O-CB 3.06Å; D102-S105 PolarHBondContact O-N 3.18Å; D102-S105 PolarHBondContact O-OG 2.89Å; D102-R170 VanDerWaalsContact CB-NH1 3.31Å; D102-R170 IonicContact OD2-NH1 3.2Å; D102-R170 PolarHBondContact OD2-NH1 3.2Å
103	K	93.5	Very high	92	Very high	61 Å²	61	39.5 Å²	39.5	27%	0.265	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-11	-178.8	-50.2	-52.3	172.7	-170.1	0	113.9	N97 V100 E101 S105 F126	N97-K103 PolarHBondContact O-NZ 2.86Å; N97-K103 PolarHBondContact OD1-NZ 3.18Å; V100-K103 PolarHBondContact O-NZ 3.01Å; E101-K103 WeakPolarHBondContact O-CE 3.49Å; E101-K103 PolarHBondContact O-N 3.09Å; K103-S105 VanDerWaalsContact C-N 3.32Å; K103-F126 HydrophobicContact CB-CD1 4.39Å; K103-F126 HydrophobicContact CD-CD1 4.16Å; K103-F126 HydrophobicContact CD-CD2 4.43Å; K103-F126 HydrophobicContact CD-CE1 3.67Å; K103-F126 HydrophobicContact CD-CE2 3.97Å; K103-F126 HydrophobicContact CD-CZ 3.57Å
104	S	91.8	Very high	92.2	Very high	72 Å²	72	39.7 Å²	39.7	50%	0.503	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-3.9	171.2	80.2	0	0	0	0	113.4	D102 N128	D102-S104 VanDerWaalsContact CG-OG 3.32Å; D102-S104 PolarHBondContact O-N 3.01Å; D102-S104 WeakPolarHBondContact OD1-CA 3.34Å; D102-S104 VanDerWaalsContact OD1-CB 3.31Å; D102-S104 WeakPolarHBondContact OD1-CB 3.45Å; D102-S104 PolarHBondContact OD1-N 3.46Å; D102-S104 PolarHBondContact OD1-OG 3.17Å; D102-S104 PolarHBondContact OD2-OG 3.37Å; S104-N128 PolarHBondContact O-ND2 3.03Å
105	S	90.5	Very high	92.4	Very high	6 Å²	6	36.4 Å²	36.4	4%	0.042	19%	0.19	C	C	.	.	S	Bend	trans	-55.6	140.9	176.8	-62.4	0	0	0	0	111.6	V100 D102 K103 L107 R170	V100-S105 WeakPolarHBondContact CG1-OG 3.3Å; D102-S105 WeakPolarHBondContact O-CB 3.06Å; D102-S105 PolarHBondContact O-N 3.18Å; D102-S105 PolarHBondContact O-OG 2.89Å; K103-S105 VanDerWaalsContact C-N 3.32Å; S105-L107 PolarHBondContact O-N 3.42Å; S105-R170 VanDerWaalsContact OG-CD 3.28Å; S105-R170 WeakPolarHBondContact OG-CD 3.46Å; S105-R170 PolarHBondContact OG-NH1 2.86Å
106	W	90.8	Very high	92.6	Very high	54 Å²	54	34.3 Å²	34.3	21%	0.205	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	116.3	174	-175	-8.5	0	0	0	109.8	N128 D130 E165 L169 R170	W106-N128 WeakPolarHBondContact CA-O 3.47Å; W106-D130 WeakPolarHBondContact CZ2-OD2 3.32Å; W106-D130 PolarHBondContact NE1-OD2 2.97Å; W106-E165 WeakPolarHBondContact CH2-O 3.26Å; W106-E165 WeakPolarHBondContact CZ2-O 3.37Å; W106-L169 HydrophobicContact CG-CD1 4.3Å; W106-R170 PolarHBondContact O-N 3.32Å
107	L	91.7	Very high	92.8	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.8	174.9	-55.4	179.9	0	0	0	111.1	V96 V100 S105 M121 F126 N128 I129 D130 L171	V96-L107 HydrophobicContact CG1-CD1 3.69Å; V96-L107 HydrophobicContact CG1-CD2 4.44Å; V100-L107 HydrophobicContact CG2-CD2 4.45Å; S105-L107 PolarHBondContact O-N 3.42Å; L107-M121 HydrophobicContact CD1-SD 3.82Å; L107-F126 HydrophobicContact CD1-CB 3.99Å; L107-F126 HydrophobicContact CD1-CD1 3.57Å; L107-F126 HydrophobicContact CD1-CD2 4.24Å; L107-F126 HydrophobicContact CD1-CE1 4.05Å; L107-F126 HydrophobicContact CD1-CG 3.67Å; L107-F126 HydrophobicContact CG-CD1 4.37Å; L107-N128 PolarHBondContact N-O 3.09Å; L107-I129 HydrophobicContact CB-CG1 4.43Å; L107-I129 HydrophobicContact CB-CG2 4.23Å; L107-I129 HydrophobicContact CD1-CG1 4.44Å; L107-I129 CarbonylContact O-C 3.59Å; L107-I129 WeakPolarHBondContact O-CA 3.47Å; L107-D130 PolarHBondContact O-N 3.1Å; L107-L171 HydrophobicContact CD2-CB 4.02Å
108	V	92.2	Very high	92.9	Very high	6 Å²	6	32.3 Å²	32.3	4%	0.036	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.4	166.9	174.1	0	0	0	0	108.5	I110 D130 I132 L164 L169 Y173	V108-I110 HydrophobicContact CG1-CG1 3.92Å; V108-D130 CarbonylContact C-O 3.59Å; V108-D130 WeakPolarHBondContact CA-O 3.27Å; V108-D130 HydrophobicContact CG2-CB 4.05Å; V108-I132 HydrophobicContact CG1-CG2 4.2Å; V108-L164 HydrophobicContact CG1-CD1 4.04Å; V108-L164 HydrophobicContact CG1-CD2 3.99Å; V108-L164 HydrophobicContact CG2-CD2 4.25Å; V108-L169 HydrophobicContact CB-CD1 4.01Å; V108-L169 HydrophobicContact CG2-CD1 3.28Å; V108-L169 HydrophobicContact CG2-CD2 4.43Å; V108-Y173 PolarHBondContact O-N 3.29Å
109	D	92.9	Very high	93.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	100.4	172.1	-165	0.7	0	0	0	108.8	G118 M121 I129 D130 I132 Y148	D109-G118 PolarHBondContact OD2-N 3.37Å; D109-M121 HydrophobicContact CB-CE 4.09Å; D109-I129 HydrophobicContact CB-CG2 4.36Å; D109-D130 PolarHBondContact N-O 3.3Å; D109-I132 PolarHBondContact O-N 3.32Å; D109-Y148 HydrophobicContact CB-CE1 3.72Å; D109-Y148 PolarHBondContact OD2-OH 2.93Å
110	I	91.8	Very high	93.4	Very high	20 Å²	20	31.2 Å²	31.2	10%	0.103	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	133	179.9	-59.9	171.5	0	0	0	110.1	V108 G112 I132 L156 F172 Y173 F174 S175	V108-I110 HydrophobicContact CG1-CG1 3.92Å; I110-G112 PolarHBondContact O-N 2.93Å; I110-I132 HydrophobicContact CB-CG2 4.07Å; I110-I132 HydrophobicContact CG1-CG2 3.91Å; I110-I132 HydrophobicContact CG2-CG2 4.08Å; I110-L156 HydrophobicContact CG2-CD1 3.53Å; I110-F172 HydrophobicContact CD1-CB 4.1Å; I110-F172 HydrophobicContact CD1-CD1 3.28Å; I110-F172 HydrophobicContact CD1-CE1 3.94Å; I110-F172 HydrophobicContact CD1-CG 4.06Å; I110-F172 HydrophobicContact CG1-CD1 4.17Å; I110-Y173 VanDerWaalsContact CB-O 3.32Å; I110-Y173 WeakPolarHBondContact CB-O 3.47Å; I110-Y173 PolarHBondContact N-O 3.5Å; I110-F174 HydrophobicContact CB-CD2 4.17Å; I110-F174 HydrophobicContact CG2-CD2 3.65Å; I110-F174 HydrophobicContact CG2-CE2 3.89Å; I110-S175 PolarHBondContact O-N 3.39Å; I110-S175 VanDerWaalsContact O-N 3.1Å
111	C	91.3	Very high	93.6	Very high	23 Å²	23	30.6 Å²	30.6	16%	0.155	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	44.8	-172.7	-64.5	0	0	0	0	109.8	G113 I132 D133 F174	C111-G113 PolarHBondContact O-N 2.58Å; C111-G113 VanDerWaalsContact O-N 3.07Å; C111-I132 WeakPolarHBondContact CA-O 3.41Å; C111-I132 PolarHBondContact N-O 2.81Å; C111-D133 VanDerWaalsContact C-OD2 3.25Å; C111-D133 WeakPolarHBondContact CA-OD2 3.45Å; C111-F174 HydrophobicContact CB-CE2 4.11Å; C111-F174 HydrophobicContact CB-CZ 4.16Å; C111-F174 WeakPolarHBondContact SG-CE2 3.2Å
112	G	94.1	Very high	93.8	Very high	3 Å²	3	26.3 Å²	26.3	3%	0.031	13%	0.132	C	C	.	.			trans	-64.2	-14	-171.2	0	0	0	0	0	114	I110 T114 G115 I132 D133	I110-G112 PolarHBondContact O-N 2.93Å; G112-T114 PolarHBondContact O-N 3.26Å; G112-G115 WeakPolarHBondContact O-CA 3.23Å; G112-G115 PolarHBondContact O-N 3.27Å; G112-I132 PolarHBondContact N-O 2.82Å; G112-D133 PolarHBondContact N-OD2 3.11Å
113	G	94.5	Very high	94.1	Very high	2 Å²	2	30 Å²	30	2%	0.021	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	-134.7	177.9	0	0	0	0	0	112	C111 G115 Y131 D133 M138	C111-G113 PolarHBondContact O-N 2.58Å; C111-G113 VanDerWaalsContact O-N 3.07Å; G113-G115 PolarHBondContact O-N 3.33Å; G113-G115 VanDerWaalsContact O-N 3.14Å; G113-Y131 VanDerWaalsContact O-CE2 3.3Å; G113-Y131 WeakPolarHBondContact O-CE2 3.37Å; G113-Y131 PolarHBondContact O-OH 3.28Å; G113-D133 WeakPolarHBondContact CA-OD2 3.46Å; G113-D133 PolarHBondContact N-OD2 3.34Å; G113-M138 CarbonylContact O-C 3.44Å
114	T	96.5	Very high	94.2	Very high	3 Å²	3	29.9 Å²	29.9	2%	0.018	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-1.9	173.9	56.4	0	0	0	0	114.1	Y77 D78 G112 M138 Q141 A142 K145	Y77-T114 HydrophobicContact CD1-CG2 3.92Å; Y77-T114 HydrophobicContact CG-CG2 4.13Å; D78-T114 WeakPolarHBondContact OD1-CB 3.3Å; D78-T114 PolarHBondContact OD1-OG1 3.31Å; G112-T114 PolarHBondContact O-N 3.26Å; T114-M138 HydrophobicContact CG2-SD 3.54Å; T114-M138 VanDerWaalsContact CG2-SD 3.54Å; T114-Q141 HydrophobicContact CG2-CB 3.84Å; T114-Q141 HydrophobicContact CG2-CG 4.2Å; T114-A142 WeakPolarHBondContact O-CA 3.49Å; T114-K145 WeakPolarHBondContact O-CD 3.44Å; T114-K145 WeakPolarHBondContact O-CE 3.41Å; T114-K145 PolarHBondContact O-NZ 3.21Å
115	G	96.9	Very high	94.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	86	24.6	175.2	0	0	0	0	0	116	G112 G113 S117 G118 Q119 I147 Y148	G112-G115 WeakPolarHBondContact O-CA 3.23Å; G112-G115 PolarHBondContact O-N 3.27Å; G113-G115 PolarHBondContact O-N 3.33Å; G113-G115 VanDerWaalsContact O-N 3.14Å; G115-S117 VanDerWaalsContact C-N 3.34Å; G115-S117 PolarHBondContact O-N 2.85Å; G115-G118 PolarHBondContact O-N 2.74Å; G115-Q119 PolarHBondContact O-N 3.35Å; G115-I147 VanDerWaalsContact O-CD1 3.29Å; G115-I147 WeakPolarHBondContact O-CD1 3.3Å; G115-Y148 WeakPolarHBondContact CA-OH 2.93Å; G115-Y148 PolarHBondContact O-OH 3.48Å
116	M	95.5	Very high	94.7	Very high	32 Å²	32	28.5 Å²	28.5	16%	0.158	14%	0.143	C	C	.	.	H	α-helix	trans	-60.4	-42.2	176.1	-70.6	-174.2	-79.4	0	0	112.2	Y77 D78 M81 Y86 P89 G118 Q119 E120	Y77-M116 HydrophobicContact CD1-CE 3.85Å; Y77-M116 HydrophobicContact CE1-CE 3.56Å; D78-M116 HydrophobicContact CB-SD 4.38Å; M81-M116 HydrophobicContact CB-CE 4.23Å; M81-M116 HydrophobicContact CG-CE 4.32Å; Y86-M116 HydrophobicContact CD1-CE 4.37Å; Y86-M116 HydrophobicContact CE1-CE 4.31Å; P89-M116 HydrophobicContact CB-CB 3.75Å; P89-M116 HydrophobicContact CG-CB 3.51Å; P89-M116 HydrophobicContact CG-CE 4.39Å; P89-M116 HydrophobicContact CG-SD 4.33Å; M116-G118 PolarHBondContact O-N 3.3Å; M116-Q119 WeakPolarHBondContact O-CB 3.27Å; M116-Q119 PolarHBondContact O-N 3.12Å; M116-Q119 VanDerWaalsContact O-N 3.13Å; M116-E120 PolarHBondContact O-N 3.46Å
117	S	94.2	Very high	94.8	Very high	2 Å²	2	28.8 Å²	28.8	1%	0.014	15%	0.153	C	C	.	.	H	α-helix	trans	-62.7	-42.2	179.5	-58.8	0	0	0	0	111.8	G115 Q119 E120 M121 S175	G115-S117 VanDerWaalsContact C-N 3.34Å; G115-S117 PolarHBondContact O-N 2.85Å; S117-Q119 VanDerWaalsContact C-N 3.3Å; S117-Q119 PolarHBondContact O-N 2.85Å; S117-E120 PolarHBondContact O-N 3.41Å; S117-M121 PolarHBondContact O-N 3.29Å; S117-S175 PolarHBondContact OG-OG 2.99Å
118	G	95.3	Very high	94.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-34.8	172.9	0	0	0	0	0	114	D109 G115 M116 R122 I147 Y148	D109-G118 PolarHBondContact OD2-N 3.37Å; G115-G118 PolarHBondContact O-N 2.74Å; M116-G118 PolarHBondContact O-N 3.3Å; G118-R122 WeakPolarHBondContact O-CB 3.29Å; G118-R122 WeakPolarHBondContact O-CG 3.45Å; G118-R122 PolarHBondContact O-N 3.1Å; G118-I147 VanDerWaalsContact C-CD1 3.41Å; G118-Y148 WeakPolarHBondContact CA-OH 3.41Å; G118-Y148 PolarHBondContact N-OH 3.1Å
119	Q	96.9	Very high	95	Very high	70 Å²	70	30.7 Å²	30.7	33%	0.327	16%	0.163	S	C	.	.	H	α-helix	trans	-65.4	-41.6	174.7	-68.5	179.4	-69	0	0	111.2	G115 M116 S117 R122 K123 K145 I147	G115-Q119 PolarHBondContact O-N 3.35Å; M116-Q119 WeakPolarHBondContact O-CB 3.27Å; M116-Q119 PolarHBondContact O-N 3.12Å; M116-Q119 VanDerWaalsContact O-N 3.13Å; S117-Q119 VanDerWaalsContact C-N 3.3Å; S117-Q119 PolarHBondContact O-N 2.85Å; Q119-R122 WeakPolarHBondContact O-CB 3.31Å; Q119-R122 PolarHBondContact O-N 3.4Å; Q119-K123 WeakPolarHBondContact O-CG 3.39Å; Q119-K123 PolarHBondContact O-N 3.48Å; Q119-K123 VanDerWaalsContact O-N 3.13Å; Q119-K145 HydrophobicContact CG-CD 4.08Å; Q119-I147 HydrophobicContact CB-CD1 4.35Å; Q119-I147 HydrophobicContact CG-CD1 3.61Å; Q119-I147 HydrophobicContact CG-CG1 4.5Å; Q119-I147 HydrophobicContact CG-CG2 4.4Å; Q119-I147 VanDerWaalsContact N-CD1 3.29Å
120	E	95.7	Very high	95	Very high	37 Å²	37	30.7 Å²	30.7	17%	0.173	16%	0.163	C	C	.	.	H	α-helix	trans	-67.7	-42.6	178.3	-61.5	-63.4	152.6	0	0	111.3	P89 M116 S117 R122 K123 H124	P89-E120 HydrophobicContact CB-CG 3.96Å; P89-E120 VanDerWaalsContact O-CB 3.25Å; P89-E120 WeakPolarHBondContact O-CB 3.37Å; P89-E120 WeakPolarHBondContact O-CG 3.38Å; M116-E120 PolarHBondContact O-N 3.46Å; S117-E120 PolarHBondContact O-N 3.41Å; E120-R122 VanDerWaalsContact C-N 3.31Å; E120-R122 PolarHBondContact O-N 2.99Å; E120-K123 WeakPolarHBondContact O-CB 3.47Å; E120-K123 PolarHBondContact O-N 3.23Å; E120-K123 IonicContact OE1-NZ 2.62Å; E120-K123 PolarHBondContact OE1-NZ 3.11Å; E120-K123 WeakPolarHBondContact OE2-CD 3.27Å; E120-K123 IonicContact OE2-NZ 2.88Å; E120-K123 PolarHBondContact OE2-NZ 3.21Å; E120-H124 PolarHBondContact O-CD2 3.17Å; E120-H124 VanDerWaalsContact O-CD2 3.25Å
121	M	95	Very high	95.1	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.158	C	C	.	.	H	α-helix	trans	-59.8	-40.1	172	-69.6	-174.3	-76.9	0	0	112.2	V96 L107 D109 S117 K123 H124 F126 I129	V96-M121 HydrophobicContact CB-CG 4.34Å; V96-M121 HydrophobicContact CB-SD 4.41Å; V96-M121 HydrophobicContact CG1-CG 4.25Å; V96-M121 HydrophobicContact CG1-SD 4.06Å; V96-M121 HydrophobicContact CG2-CG 4.48Å; V96-M121 HydrophobicContact CG2-SD 4.13Å; L107-M121 HydrophobicContact CD1-SD 3.82Å; D109-M121 HydrophobicContact CB-CE 4.09Å; S117-M121 PolarHBondContact O-N 3.29Å; M121-K123 VanDerWaalsContact C-N 3.31Å; M121-K123 PolarHBondContact O-N 3.46Å; M121-H124 PolarHBondContact O-N 2.87Å; M121-H124 VanDerWaalsContact O-N 3.08Å; M121-F126 HydrophobicContact CB-CB 4.42Å; M121-F126 HydrophobicContact CB-CD2 4.26Å; M121-F126 WeakPolarHBondContact O-CD2 3.41Å; M121-F126 PolarHBondContact O-N 2.69Å; M121-I129 HydrophobicContact CB-CD1 3.65Å; M121-I129 HydrophobicContact CE-CD1 4.37Å; M121-I129 HydrophobicContact CE-CG2 3.96Å
122	R	96.8	Very high	95.2	Very high	86 Å²	86	28.7 Å²	28.7	33%	0.325	15%	0.151	S	C	.	.	H	α-helix	trans	-61.4	-36.3	176.1	-79.3	-81.6	172.6	110.6	-6.9	113	G118 Q119 E120 H124 G125 F126 S127 I129 I147	G118-R122 WeakPolarHBondContact O-CB 3.29Å; G118-R122 WeakPolarHBondContact O-CG 3.45Å; G118-R122 PolarHBondContact O-N 3.1Å; Q119-R122 WeakPolarHBondContact O-CB 3.31Å; Q119-R122 PolarHBondContact O-N 3.4Å; E120-R122 VanDerWaalsContact C-N 3.31Å; E120-R122 PolarHBondContact O-N 2.99Å; R122-H124 PolarHBondContact O-N 3.45Å; R122-G125 PolarHBondContact O-N 2.87Å; R122-F126 WeakPolarHBondContact CD-O 3.5Å; R122-F126 PolarHBondContact NE-O 3.26Å; R122-S127 PolarHBondContact NH2-O 3.03Å; R122-I129 HydrophobicContact CG-CD1 4.15Å; R122-I147 HydrophobicContact CG-CB 4.24Å; R122-I147 HydrophobicContact CG-CG2 4.45Å; R122-I147 PolarHBondContact NE-O 3.16Å; R122-I147 VanDerWaalsContact NE-O 3.14Å; R122-I147 PolarHBondContact NH1-O 3.2Å; R122-I147 PolarHBondContact NH2-O 2.98Å
123	K	97.9	Very high	95.2	Very high	145 Å²	145	29.3 Å²	29.3	63%	0.63	15%	0.154	S	C	*	.	H	α-helix	trans	-61.1	-28.9	175.2	-67.8	172.4	-169.3	173.4	0	112.4	Q119 E120 M121 G125	Q119-K123 WeakPolarHBondContact O-CG 3.39Å; Q119-K123 PolarHBondContact O-N 3.48Å; Q119-K123 VanDerWaalsContact O-N 3.13Å; E120-K123 WeakPolarHBondContact O-CB 3.47Å; E120-K123 PolarHBondContact O-N 3.23Å; E120-K123 IonicContact OE1-NZ 2.62Å; E120-K123 PolarHBondContact OE1-NZ 3.11Å; E120-K123 WeakPolarHBondContact OE2-CD 3.27Å; E120-K123 IonicContact OE2-NZ 2.88Å; E120-K123 PolarHBondContact OE2-NZ 3.21Å; M121-K123 VanDerWaalsContact C-N 3.31Å; M121-K123 PolarHBondContact O-N 3.46Å; K123-G125 VanDerWaalsContact C-N 3.31Å
124	H	96.4	Very high	95	Very high	60 Å²	60	30.2 Å²	30.2	28%	0.278	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	8.1	176.8	-68.1	-70.9	0	0	0	114.1	G93 N97 E120 M121 R122 F126	G93-H124 PolarHBondContact O-CD2 3.07Å; G93-H124 VanDerWaalsContact O-CD2 3.25Å; N97-H124 HydrophobicContact CB-CB 3.82Å; E120-H124 PolarHBondContact O-CD2 3.17Å; E120-H124 VanDerWaalsContact O-CD2 3.25Å; M121-H124 PolarHBondContact O-N 2.87Å; M121-H124 VanDerWaalsContact O-N 3.08Å; R122-H124 PolarHBondContact O-N 3.45Å; H124-F126 HydrophobicContact CB-CD2 4.12Å; H124-F126 HydrophobicContact CB-CE2 4.12Å
125	G	97.3	Very high	94.8	Very high	47 Å²	47	30.1 Å²	30.1	49%	0.485	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	92	1.9	173	0	0	0	0	0	115.5	R122 K123 S127	R122-G125 PolarHBondContact O-N 2.87Å; K123-G125 VanDerWaalsContact C-N 3.31Å; G125-S127 PolarHBondContact O-N 3.1Å
126	F	95.1	Very high	94.7	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	20%	0.196	C	C	.	.			trans	-73	121.7	175.6	-64.7	-77	0	0	0	111.3	V96 N97 V100 K103 L107 M121 R122 H124 I129	V96-F126 HydrophobicContact CG1-CD2 4.26Å; V96-F126 HydrophobicContact CG1-CE1 4.47Å; V96-F126 HydrophobicContact CG1-CE2 3.73Å; V96-F126 HydrophobicContact CG1-CZ 3.84Å; N97-F126 HydrophobicContact CB-CE2 4.37Å; V100-F126 HydrophobicContact CB-CE1 3.91Å; V100-F126 HydrophobicContact CB-CZ 3.84Å; V100-F126 HydrophobicContact CG1-CE1 3.72Å; V100-F126 HydrophobicContact CG1-CZ 4.18Å; V100-F126 WeakPolarHBondContact O-CZ 3.15Å; K103-F126 HydrophobicContact CB-CD1 4.39Å; K103-F126 HydrophobicContact CD-CD1 4.16Å; K103-F126 HydrophobicContact CD-CD2 4.43Å; K103-F126 HydrophobicContact CD-CE1 3.67Å; K103-F126 HydrophobicContact CD-CE2 3.97Å; K103-F126 HydrophobicContact CD-CZ 3.57Å; L107-F126 HydrophobicContact CD1-CB 3.99Å; L107-F126 HydrophobicContact CD1-CD1 3.57Å; L107-F126 HydrophobicContact CD1-CD2 4.24Å; L107-F126 HydrophobicContact CD1-CE1 4.05Å; L107-F126 HydrophobicContact CD1-CG 3.67Å; L107-F126 HydrophobicContact CG-CD1 4.37Å; M121-F126 HydrophobicContact CB-CB 4.42Å; M121-F126 HydrophobicContact CB-CD2 4.26Å; M121-F126 WeakPolarHBondContact O-CD2 3.41Å; M121-F126 PolarHBondContact O-N 2.69Å; R122-F126 WeakPolarHBondContact CD-O 3.5Å; R122-F126 PolarHBondContact NE-O 3.26Å; H124-F126 HydrophobicContact CB-CD2 4.12Å; H124-F126 HydrophobicContact CB-CE2 4.12Å; F126-I129 HydrophobicContact CB-CD1 3.97Å; F126-I129 HydrophobicContact CB-CG1 4.16Å
127	S	93.9	Very high	94.7	Very high	60 Å²	60	36.3 Å²	36.3	42%	0.42	19%	0.193	S	C	.	.			trans	-107.6	-28.4	177.8	61.9	0	0	0	0	113.8	R122 G125 I129	R122-S127 PolarHBondContact NH2-O 3.03Å; G125-S127 PolarHBondContact O-N 3.1Å; S127-I129 VanDerWaalsContact C-N 3.3Å; S127-I129 PolarHBondContact O-N 3.47Å; S127-I129 VanDerWaalsContact O-N 3.08Å
128	N	93.2	Very high	94.8	Very high	52 Å²	52	36.3 Å²	36.3	28%	0.278	19%	0.193	S	C	.	.			trans	-89.3	62.3	-173.3	-66	-19.4	0	0	0	111.5	S104 W106 L107	S104-N128 PolarHBondContact O-ND2 3.03Å; W106-N128 WeakPolarHBondContact CA-O 3.47Å; L107-N128 PolarHBondContact N-O 3.09Å
129	I	93.5	Very high	94.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	118	-176.8	-42	175.4	0	0	0	108.8	L107 D109 M121 R122 F126 S127 Y148 R149	L107-I129 HydrophobicContact CB-CG1 4.43Å; L107-I129 HydrophobicContact CB-CG2 4.23Å; L107-I129 HydrophobicContact CD1-CG1 4.44Å; L107-I129 CarbonylContact O-C 3.59Å; L107-I129 WeakPolarHBondContact O-CA 3.47Å; D109-I129 HydrophobicContact CB-CG2 4.36Å; M121-I129 HydrophobicContact CB-CD1 3.65Å; M121-I129 HydrophobicContact CE-CD1 4.37Å; M121-I129 HydrophobicContact CE-CG2 3.96Å; R122-I129 HydrophobicContact CG-CD1 4.15Å; F126-I129 HydrophobicContact CB-CD1 3.97Å; F126-I129 HydrophobicContact CB-CG1 4.16Å; S127-I129 VanDerWaalsContact C-N 3.3Å; S127-I129 PolarHBondContact O-N 3.47Å; S127-I129 VanDerWaalsContact O-N 3.08Å; I129-Y148 HydrophobicContact CB-CD1 4.01Å; I129-Y148 HydrophobicContact CG2-CD1 3.63Å; I129-Y148 HydrophobicContact CG2-CE1 3.74Å; I129-Y148 CarbonylContact O-C 3.59Å; I129-Y148 WeakPolarHBondContact O-CA 2.85Å; I129-R149 PolarHBondContact O-N 3.14Å
130	D	93.5	Very high	95	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	156.1	167.6	-71.5	-18.5	0	0	0	109.9	W106 L107 V108 D109 R149 N150 Y152	W106-D130 WeakPolarHBondContact CZ2-OD2 3.32Å; W106-D130 PolarHBondContact NE1-OD2 2.97Å; L107-D130 PolarHBondContact O-N 3.1Å; V108-D130 CarbonylContact C-O 3.59Å; V108-D130 WeakPolarHBondContact CA-O 3.27Å; V108-D130 HydrophobicContact CG2-CB 4.05Å; D109-D130 PolarHBondContact N-O 3.3Å; D130-R149 WeakPolarHBondContact OD1-CB 3.48Å; D130-R149 IonicContact OD1-CZ 3.64Å; D130-R149 IonicContact OD1-NE 2.97Å; D130-R149 PolarHBondContact OD1-NE 2.87Å; D130-R149 IonicContact OD1-NH2 3.45Å; D130-R149 PolarHBondContact OD1-NH2 3.44Å; D130-R149 IonicContact OD2-CZ 3.73Å; D130-R149 IonicContact OD2-NE 3.8Å; D130-R149 IonicContact OD2-NH2 2.82Å; D130-R149 PolarHBondContact OD2-NH2 3.19Å; D130-N150 HydrophobicContact CB-CB 4.47Å; D130-N150 WeakPolarHBondContact OD1-CB 3.46Å; D130-N150 PolarHBondContact OD1-N 2.86Å; D130-N150 VanDerWaalsContact OD1-N 3.1Å; D130-N150 PolarHBondContact OD1-ND2 3.29Å; D130-N150 PolarHBondContact OD2-ND2 3.25Å; D130-Y152 HydrophobicContact CB-CE2 4.33Å
131	Y	93.8	Very high	95.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	137.6	-173.2	164.5	-81.6	0	0	0	110.8	G113 D133 T139 A142 Y148 N150 Y151 Y152	G113-Y131 VanDerWaalsContact O-CE2 3.3Å; G113-Y131 WeakPolarHBondContact O-CE2 3.37Å; G113-Y131 PolarHBondContact O-OH 3.28Å; Y131-D133 HydrophobicContact CE1-CB 3.76Å; Y131-D133 HydrophobicContact CE2-CB 4.29Å; Y131-D133 VanDerWaalsContact CZ-CB 3.44Å; Y131-D133 WeakPolarHBondContact OH-CB 3.44Å; Y131-T139 HydrophobicContact CE1-CG2 3.84Å; Y131-T139 WeakPolarHBondContact CE1-OG1 3.47Å; Y131-T139 VanDerWaalsContact OH-CA 3.23Å; Y131-T139 WeakPolarHBondContact OH-CA 2.98Å; Y131-T139 PolarHBondContact OH-N 2.92Å; Y131-T139 PolarHBondContact OH-OG1 3.05Å; Y131-A142 HydrophobicContact CD2-CB 4.07Å; Y131-A142 HydrophobicContact CE1-CB 4.43Å; Y131-A142 HydrophobicContact CE2-CB 3.51Å; Y131-Y148 VanDerWaalsContact CB-CG 3.47Å; Y131-Y148 AromaticContact CD2-CD2 3.92Å; Y131-Y148 HydrophobicContact CD2-CD2 3.92Å; Y131-Y148 HydrophobicContact CD2-CE1 4.19Å; Y131-Y148 AromaticContact CD2-CE2 3.54Å; Y131-Y148 HydrophobicContact CD2-CE2 3.54Å; Y131-Y148 HydrophobicContact CD2-CG 4.4Å; Y131-Y148 AromaticContact CD2-CZ 3.68Å; Y131-Y148 HydrophobicContact CE2-CE2 4.3Å; Y131-Y148 HydrophobicContact CG-CD2 4.09Å; Y131-Y148 HydrophobicContact CG-CE2 4.19Å; Y131-Y148 HydrophobicContact CG-CG 4.28Å; Y131-N150 PolarHBondContact N-O 3.4Å; Y131-Y151 AromaticContact CD1-CD1 3.7Å; Y131-Y151 HydrophobicContact CD1-CD1 3.7Å; Y131-Y151 HydrophobicContact CD1-CG 4.4Å; Y131-Y151 HydrophobicContact CE1-CD1 4.3Å; Y131-Y151 AromaticContact CG-CD1 3.99Å; Y131-Y151 HydrophobicContact CG-CD1 3.99Å; Y131-Y151 HydrophobicContact CG-CE1 4.49Å; Y131-Y152 VanDerWaalsContact O-CD2 3.3Å; Y131-Y152 WeakPolarHBondContact O-CD2 3.48Å; Y131-Y152 PolarHBondContact O-N 3.43Å
132	I	93.5	Very high	95.3	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	136.4	166.9	-172.9	164.4	0	0	0	111.7	V108 D109 I110 C111 G112 Y152 E154 L156 L164	V108-I132 HydrophobicContact CG1-CG2 4.2Å; D109-I132 PolarHBondContact O-N 3.32Å; I110-I132 HydrophobicContact CB-CG2 4.07Å; I110-I132 HydrophobicContact CG1-CG2 3.91Å; I110-I132 HydrophobicContact CG2-CG2 4.08Å; C111-I132 WeakPolarHBondContact CA-O 3.41Å; C111-I132 PolarHBondContact N-O 2.81Å; G112-I132 PolarHBondContact N-O 2.82Å; I132-Y152 WeakPolarHBondContact CA-O 3.25Å; I132-E154 HydrophobicContact CD1-CG 3.49Å; I132-E154 VanDerWaalsContact CD1-CG 3.49Å; I132-E154 WeakPolarHBondContact CD1-OE1 3.45Å; I132-E154 HydrophobicContact CG1-CG 4.07Å; I132-L156 HydrophobicContact CD1-CD1 4.2Å; I132-L156 HydrophobicContact CD1-CD2 3.57Å; I132-L156 HydrophobicContact CD1-CG 3.84Å; I132-L156 HydrophobicContact CG2-CD1 4.31Å; I132-L164 HydrophobicContact CB-CD1 3.95Å; I132-L164 HydrophobicContact CB-CD2 4.47Å; I132-L164 HydrophobicContact CB-CG 4.36Å; I132-L164 HydrophobicContact CD1-CD1 3.49Å; I132-L164 VanDerWaalsContact CD1-CD1 3.49Å; I132-L164 HydrophobicContact CD1-CG 3.87Å; I132-L164 HydrophobicContact CG1-CD1 4.34Å; I132-L164 HydrophobicContact CG2-CD1 3.78Å
133	D	93	Very high	95.4	Very high	16 Å²	16	41.6 Å²	41.6	9%	0.086	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	153.6	170.7	-161.4	-79.4	0	0	0	110.7	C111 G112 G113 Y131 S135 Y152 C153 E154	C111-D133 VanDerWaalsContact C-OD2 3.25Å; C111-D133 WeakPolarHBondContact CA-OD2 3.45Å; G112-D133 PolarHBondContact N-OD2 3.11Å; G113-D133 WeakPolarHBondContact CA-OD2 3.46Å; G113-D133 PolarHBondContact N-OD2 3.34Å; Y131-D133 HydrophobicContact CE1-CB 3.76Å; Y131-D133 HydrophobicContact CE2-CB 4.29Å; Y131-D133 VanDerWaalsContact CZ-CB 3.44Å; Y131-D133 WeakPolarHBondContact OH-CB 3.44Å; D133-S135 WeakPolarHBondContact OD1-CB 3.49Å; D133-S135 PolarHBondContact OD1-N 2.9Å; D133-Y152 PolarHBondContact N-O 2.92Å; D133-Y152 VanDerWaalsContact N-O 3.11Å; D133-C153 CarbonylContact O-C 3.57Å; D133-C153 VanDerWaalsContact O-CA 3.26Å; D133-C153 WeakPolarHBondContact O-CA 3.47Å; D133-E154 PolarHBondContact O-N 3.39Å
134	G	90.5	Very high	95.4	Very high	20 Å²	20	40.8 Å²	40.8	21%	0.206	22%	0.22	C	C	.	.	S	Bend	trans	-83	-18.4	179	0	0	0	0	0	114.5	M155	G134-M155 VanDerWaalsContact CA-SD 3.59Å
135	S	92.6	Very high	95.4	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.007	22%	0.217	C	C	.	.			trans	-93.4	126	-177.4	165.8	0	0	0	0	111.9	A67 T71 D133 G137 M138 T139	A67-S135 PolarHBondContact O-OG 2.82Å; T71-S135 VanDerWaalsContact CA-OG 3.3Å; T71-S135 WeakPolarHBondContact CA-OG 3.42Å; T71-S135 PolarHBondContact N-OG 3.11Å; T71-S135 VanDerWaalsContact N-OG 3.08Å; T71-S135 PolarHBondContact OG1-OG 2.49Å; D133-S135 WeakPolarHBondContact OD1-CB 3.49Å; D133-S135 PolarHBondContact OD1-N 2.9Å; S135-G137 VanDerWaalsContact C-N 3.34Å; S135-G137 PolarHBondContact OG-N 2.86Å; S135-M138 PolarHBondContact O-N 3.25Å; S135-M138 WeakPolarHBondContact OG-CG 3.38Å; S135-M138 PolarHBondContact OG-N 3.29Å; S135-M138 VanDerWaalsContact OG-N 3.09Å; S135-T139 WeakPolarHBondContact O-CB 3.31Å; S135-T139 PolarHBondContact O-N 3.23Å; S135-T139 PolarHBondContact O-OG1 3.21Å
136	E	95.2	Very high	95.5	Very high	152 Å²	152	40.6 Å²	40.6	71%	0.71	22%	0.22	S	C	*	.	H	α-helix	trans	-63.5	-40.7	173.7	-67.7	-172.1	177.9	0	0	111.8	T71 T139 K140	T71-E136 PolarHBondContact OG1-N 3.26Å; E136-T139 PolarHBondContact O-N 2.67Å; E136-K140 WeakPolarHBondContact O-CB 3.32Å; E136-K140 PolarHBondContact O-N 2.81Å
137	G	96.3	Very high	95.5	Very high	10 Å²	10	41.6 Å²	41.6	10%	0.103	23%	0.225	C	C	.	.	H	α-helix	trans	-65.6	-43	178.4	0	0	0	0	0	112.4	T71 A74 S135 K140 Q141	T71-G137 PolarHBondContact OG1-N 3.13Å; A74-G137 WeakPolarHBondContact CB-O 3.23Å; S135-G137 VanDerWaalsContact C-N 3.34Å; S135-G137 PolarHBondContact OG-N 2.86Å; G137-K140 WeakPolarHBondContact O-CB 3.42Å; G137-K140 PolarHBondContact O-N 2.64Å; G137-Q141 WeakPolarHBondContact O-CG 3.19Å; G137-Q141 PolarHBondContact O-N 3.29Å; G137-Q141 VanDerWaalsContact O-N 3.1Å
138	M	96	Very high	95.6	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-61	-48.4	174.1	-71	-57.6	-178.5	0	0	111.4	Y70 V73 A74 Y77 G113 T114 S135 K140 Q141 A142	Y70-M138 HydrophobicContact CD1-CE 3.33Å; Y70-M138 HydrophobicContact CE1-CE 4.26Å; Y70-M138 HydrophobicContact CG-CE 3.94Å; Y70-M138 WeakPolarHBondContact O-CE 3.4Å; V73-M138 HydrophobicContact CG2-CE 4.25Å; A74-M138 HydrophobicContact CB-CE 4.23Å; A74-M138 HydrophobicContact CB-CG 4.3Å; A74-M138 HydrophobicContact CB-SD 3.68Å; Y77-M138 HydrophobicContact CD1-CE 4.47Å; Y77-M138 HydrophobicContact CD2-CE 3.49Å; Y77-M138 VanDerWaalsContact CD2-CE 3.49Å; Y77-M138 HydrophobicContact CE2-CE 3.91Å; Y77-M138 HydrophobicContact CG-CE 3.82Å; Y77-M138 HydrophobicContact CG-SD 4.49Å; G113-M138 CarbonylContact O-C 3.44Å; T114-M138 HydrophobicContact CG2-SD 3.54Å; T114-M138 VanDerWaalsContact CG2-SD 3.54Å; S135-M138 PolarHBondContact O-N 3.25Å; S135-M138 WeakPolarHBondContact OG-CG 3.38Å; S135-M138 PolarHBondContact OG-N 3.29Å; S135-M138 VanDerWaalsContact OG-N 3.09Å; M138-K140 VanDerWaalsContact C-N 3.26Å; M138-K140 PolarHBondContact O-N 3.04Å; M138-Q141 WeakPolarHBondContact O-CB 3.26Å; M138-Q141 PolarHBondContact O-N 3.08Å; M138-A142 PolarHBondContact O-N 3.4Å
139	T	97.7	Very high	95.7	Very high	4 Å²	4	41.6 Å²	41.6	3%	0.025	21%	0.212	C	C	.	.	H	α-helix	trans	-59.8	-37.6	177.7	-58.3	0	0	0	0	112.2	Y131 S135 E136 A142 K143 C153	Y131-T139 HydrophobicContact CE1-CG2 3.84Å; Y131-T139 WeakPolarHBondContact CE1-OG1 3.47Å; Y131-T139 VanDerWaalsContact OH-CA 3.23Å; Y131-T139 WeakPolarHBondContact OH-CA 2.98Å; Y131-T139 PolarHBondContact OH-N 2.92Å; Y131-T139 PolarHBondContact OH-OG1 3.05Å; S135-T139 WeakPolarHBondContact O-CB 3.31Å; S135-T139 PolarHBondContact O-N 3.23Å; S135-T139 PolarHBondContact O-OG1 3.21Å; E136-T139 PolarHBondContact O-N 2.67Å; T139-A142 PolarHBondContact O-N 2.88Å; T139-K143 HydrophobicContact CG2-CD 4.3Å; T139-K143 WeakPolarHBondContact O-CB 3.15Å; T139-K143 VanDerWaalsContact O-CG 3.31Å; T139-K143 WeakPolarHBondContact O-CG 3.38Å; T139-K143 PolarHBondContact O-N 2.85Å; T139-C153 HydrophobicContact CG2-CB 4.14Å
140	K	98.7	Very high	95.8	Very high	139 Å²	139	44.5 Å²	44.5	60%	0.604	23%	0.228	S	C	*	.	H	α-helix	trans	-61.5	-46	173.7	-176.2	-179.4	177.4	-177.5	0	111.3	E136 G137 M138 K143 L144	E136-K140 WeakPolarHBondContact O-CB 3.32Å; E136-K140 PolarHBondContact O-N 2.81Å; G137-K140 WeakPolarHBondContact O-CB 3.42Å; G137-K140 PolarHBondContact O-N 2.64Å; M138-K140 VanDerWaalsContact C-N 3.26Å; M138-K140 PolarHBondContact O-N 3.04Å; K140-K143 PolarHBondContact O-N 3.21Å; K140-L144 WeakPolarHBondContact O-CG 3.37Å; K140-L144 PolarHBondContact O-N 3.08Å; K140-L144 VanDerWaalsContact O-N 3.1Å
141	Q	98.4	Very high	95.9	Very high	47 Å²	47	47.1 Å²	47.1	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-43.8	176.9	-64.1	-59.1	-27.6	0	0	112.1	A74 T114 G137 M138 K143 L144 K145	A74-Q141 HydrophobicContact CB-CG 3.88Å; T114-Q141 HydrophobicContact CG2-CB 3.84Å; T114-Q141 HydrophobicContact CG2-CG 4.2Å; G137-Q141 WeakPolarHBondContact O-CG 3.19Å; G137-Q141 PolarHBondContact O-N 3.29Å; G137-Q141 VanDerWaalsContact O-N 3.1Å; M138-Q141 WeakPolarHBondContact O-CB 3.26Å; M138-Q141 PolarHBondContact O-N 3.08Å; Q141-K143 VanDerWaalsContact C-N 3.3Å; Q141-K143 PolarHBondContact O-N 3.35Å; Q141-L144 WeakPolarHBondContact O-CB 3.38Å; Q141-L144 PolarHBondContact O-N 2.92Å; Q141-L144 VanDerWaalsContact O-N 3.17Å; Q141-K145 PolarHBondContact O-N 2.81Å
142	A	98	Very high	95.9	Very high	0 Å²	0	49 Å²	49	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-37.5	175.7	0	0	0	0	0	112.6	T114 Y131 M138 T139 K145 Y148 Y151	T114-A142 WeakPolarHBondContact O-CA 3.49Å; Y131-A142 HydrophobicContact CD2-CB 4.07Å; Y131-A142 HydrophobicContact CE1-CB 4.43Å; Y131-A142 HydrophobicContact CE2-CB 3.51Å; M138-A142 PolarHBondContact O-N 3.4Å; T139-A142 PolarHBondContact O-N 2.88Å; A142-K145 PolarHBondContact O-N 3.49Å; A142-Y148 HydrophobicContact CB-CE2 4.16Å; A142-Y151 HydrophobicContact CB-CD1 4.49Å; A142-Y151 HydrophobicContact CB-CE1 4.02Å; A142-Y151 WeakPolarHBondContact O-CE1 3.28Å; A142-Y151 PolarHBondContact O-OH 3.29Å; A142-Y151 VanDerWaalsContact O-OH 3.09Å
143	K	98.7	Very high	96	Very high	117 Å²	117	51.8 Å²	51.8	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-65.8	-38	174.9	-79.1	177.7	178.1	178.6	0	112.5	T139 K140 Q141 K145 G146 Y151	T139-K143 HydrophobicContact CG2-CD 4.3Å; T139-K143 WeakPolarHBondContact O-CB 3.15Å; T139-K143 VanDerWaalsContact O-CG 3.31Å; T139-K143 WeakPolarHBondContact O-CG 3.38Å; T139-K143 PolarHBondContact O-N 2.85Å; K140-K143 PolarHBondContact O-N 3.21Å; Q141-K143 VanDerWaalsContact C-N 3.3Å; Q141-K143 PolarHBondContact O-N 3.35Å; K143-K145 PolarHBondContact O-N 3.36Å; K143-G146 PolarHBondContact O-N 3.44Å; K143-Y151 HydrophobicContact CB-CE1 4.27Å; K143-Y151 HydrophobicContact CD-CG 4.47Å; K143-Y151 HydrophobicContact CG-CD1 3.52Å; K143-Y151 HydrophobicContact CG-CD2 4.11Å; K143-Y151 HydrophobicContact CG-CE1 3.63Å; K143-Y151 HydrophobicContact CG-CE2 4.24Å; K143-Y151 HydrophobicContact CG-CG 3.76Å
144	L	98.4	Very high	95.8	Very high	127 Å²	127	52.5 Å²	52.5	67%	0.665	27%	0.267	S	S	*	.	H	α-helix	trans	-60.5	-28.2	176	-69.4	173.3	0	0	0	112.5	K140 Q141	K140-L144 WeakPolarHBondContact O-CG 3.37Å; K140-L144 PolarHBondContact O-N 3.08Å; K140-L144 VanDerWaalsContact O-N 3.1Å; Q141-L144 WeakPolarHBondContact O-CB 3.38Å; Q141-L144 PolarHBondContact O-N 2.92Å; Q141-L144 VanDerWaalsContact O-N 3.17Å
145	K	97.5	Very high	95.7	Very high	51 Å²	51	54.5 Å²	54.5	22%	0.222	27%	0.272	C	S	.	.	H	α-helix	trans	-76	-23.8	175.3	-62.5	179.7	178.4	-173.2	0	113.5	D78 T114 Q119 Q141 A142 K143 I147	D78-K145 IonicContact OD1-NZ 2.69Å; D78-K145 WeakPolarHBondContact OD2-CE 3.48Å; D78-K145 IonicContact OD2-NZ 2.81Å; D78-K145 PolarHBondContact OD2-NZ 3.26Å; T114-K145 WeakPolarHBondContact O-CD 3.44Å; T114-K145 WeakPolarHBondContact O-CE 3.41Å; T114-K145 PolarHBondContact O-NZ 3.21Å; Q119-K145 HydrophobicContact CG-CD 4.08Å; Q141-K145 PolarHBondContact O-N 2.81Å; A142-K145 PolarHBondContact O-N 3.49Å; K143-K145 PolarHBondContact O-N 3.36Å; K145-I147 HydrophobicContact CB-CG1 3.89Å; K145-I147 HydrophobicContact CB-CG2 4.38Å; K145-I147 WeakPolarHBondContact O-CG2 3.38Å; K145-I147 PolarHBondContact O-N 2.76Å
146	G	97.6	Very high	95.2	Very high	53 Å²	53	58.2 Å²	58.2	55%	0.546	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	62	25.6	176.6	0	0	0	0	0	115.2	K143	K143-G146 PolarHBondContact O-N 3.44Å
147	I	96.2	Very high	94.5	Very high	21 Å²	21	54 Å²	54	11%	0.108	27%	0.273	C	S	.	.			trans	-101.6	-1.6	-171.6	53.4	149.1	0	0	0	115.1	G115 G118 Q119 R122 K145 Y151	G115-I147 VanDerWaalsContact O-CD1 3.29Å; G115-I147 WeakPolarHBondContact O-CD1 3.3Å; G118-I147 VanDerWaalsContact C-CD1 3.41Å; Q119-I147 HydrophobicContact CB-CD1 4.35Å; Q119-I147 HydrophobicContact CG-CD1 3.61Å; Q119-I147 HydrophobicContact CG-CG1 4.5Å; Q119-I147 HydrophobicContact CG-CG2 4.4Å; Q119-I147 VanDerWaalsContact N-CD1 3.29Å; R122-I147 HydrophobicContact CG-CB 4.24Å; R122-I147 HydrophobicContact CG-CG2 4.45Å; R122-I147 PolarHBondContact NE-O 3.16Å; R122-I147 VanDerWaalsContact NE-O 3.14Å; R122-I147 PolarHBondContact NH1-O 3.2Å; R122-I147 PolarHBondContact NH2-O 2.98Å; K145-I147 HydrophobicContact CB-CG1 3.89Å; K145-I147 HydrophobicContact CB-CG2 4.38Å; K145-I147 WeakPolarHBondContact O-CG2 3.38Å; K145-I147 PolarHBondContact O-N 2.76Å; I147-Y151 PolarHBondContact N-OH 3.45Å
148	Y	96	Very high	93.7	Very high	11 Å²	11	59.9 Å²	59.9	4%	0.043	31%	0.309	C	S	.	.			trans	-111.5	153.4	175.8	-57.9	-83.5	0	0	0	110.2	D109 G115 G118 I129 Y131 A142 Y151	D109-Y148 HydrophobicContact CB-CE1 3.72Å; D109-Y148 PolarHBondContact OD2-OH 2.93Å; G115-Y148 WeakPolarHBondContact CA-OH 2.93Å; G115-Y148 PolarHBondContact O-OH 3.48Å; G118-Y148 WeakPolarHBondContact CA-OH 3.41Å; G118-Y148 PolarHBondContact N-OH 3.1Å; I129-Y148 HydrophobicContact CB-CD1 4.01Å; I129-Y148 HydrophobicContact CG2-CD1 3.63Å; I129-Y148 HydrophobicContact CG2-CE1 3.74Å; I129-Y148 CarbonylContact O-C 3.59Å; I129-Y148 WeakPolarHBondContact O-CA 2.85Å; Y131-Y148 VanDerWaalsContact CB-CG 3.47Å; Y131-Y148 AromaticContact CD2-CD2 3.92Å; Y131-Y148 HydrophobicContact CD2-CD2 3.92Å; Y131-Y148 HydrophobicContact CD2-CE1 4.19Å; Y131-Y148 AromaticContact CD2-CE2 3.54Å; Y131-Y148 HydrophobicContact CD2-CE2 3.54Å; Y131-Y148 HydrophobicContact CD2-CG 4.4Å; Y131-Y148 AromaticContact CD2-CZ 3.68Å; Y131-Y148 HydrophobicContact CE2-CE2 4.3Å; Y131-Y148 HydrophobicContact CG-CD2 4.09Å; Y131-Y148 HydrophobicContact CG-CE2 4.19Å; Y131-Y148 HydrophobicContact CG-CG 4.28Å; A142-Y148 HydrophobicContact CB-CE2 4.16Å; Y148-Y151 HydrophobicContact CD2-CD1 4.35Å; Y148-Y151 AromaticContact CD2-CE1 3.53Å; Y148-Y151 HydrophobicContact CD2-CE1 3.53Å; Y148-Y151 AromaticContact CD2-CZ 3.84Å; Y148-Y151 HydrophobicContact CE2-CE1 4.5Å; Y148-Y151 HydrophobicContact CG-CE1 4.17Å; Y148-Y151 PolarHBondContact N-OH 3.5Å; Y148-Y151 WeakPolarHBondContact O-CE2 3.47Å
149	R	94.9	Very high	93.1	Very high	102 Å²	102	64.2 Å²	64.2	39%	0.385	35%	0.354	S	S	.	.	S	Bend	trans	-76.1	-52.3	177.9	179	-176.3	71	169.6	9.4	110.5	I129 D130	I129-R149 PolarHBondContact O-N 3.14Å; D130-R149 WeakPolarHBondContact OD1-CB 3.48Å; D130-R149 IonicContact OD1-CZ 3.64Å; D130-R149 IonicContact OD1-NE 2.97Å; D130-R149 PolarHBondContact OD1-NE 2.87Å; D130-R149 IonicContact OD1-NH2 3.45Å; D130-R149 PolarHBondContact OD1-NH2 3.44Å; D130-R149 IonicContact OD2-CZ 3.73Å; D130-R149 IonicContact OD2-NE 3.8Å; D130-R149 IonicContact OD2-NH2 2.82Å; D130-R149 PolarHBondContact OD2-NH2 3.19Å
150	N	94.9	Very high	92.4	Very high	61 Å²	61	68.9 Å²	68.9	33%	0.326	37%	0.374	S	S	.	.			trans	-124	151.5	173.5	-58.2	-59.4	0	0	0	111	D130 Y131 Y152	D130-N150 HydrophobicContact CB-CB 4.47Å; D130-N150 WeakPolarHBondContact OD1-CB 3.46Å; D130-N150 PolarHBondContact OD1-N 2.86Å; D130-N150 VanDerWaalsContact OD1-N 3.1Å; D130-N150 PolarHBondContact OD1-ND2 3.29Å; D130-N150 PolarHBondContact OD2-ND2 3.25Å; Y131-N150 PolarHBondContact N-O 3.4Å; N150-Y152 HydrophobicContact CB-CD2 4.41Å; N150-Y152 HydrophobicContact CB-CE2 3.55Å
151	Y	95.8	Very high	91.8	Very high	54 Å²	54	72.5 Å²	72.5	21%	0.212	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	120.3	-179.7	-66.3	-98.9	0	0	0	110.1	Y131 A142 K143 I147 Y148	Y131-Y151 AromaticContact CD1-CD1 3.7Å; Y131-Y151 HydrophobicContact CD1-CD1 3.7Å; Y131-Y151 HydrophobicContact CD1-CG 4.4Å; Y131-Y151 HydrophobicContact CE1-CD1 4.3Å; Y131-Y151 AromaticContact CG-CD1 3.99Å; Y131-Y151 HydrophobicContact CG-CD1 3.99Å; Y131-Y151 HydrophobicContact CG-CE1 4.49Å; A142-Y151 HydrophobicContact CB-CD1 4.49Å; A142-Y151 HydrophobicContact CB-CE1 4.02Å; A142-Y151 WeakPolarHBondContact O-CE1 3.28Å; A142-Y151 PolarHBondContact O-OH 3.29Å; A142-Y151 VanDerWaalsContact O-OH 3.09Å; K143-Y151 HydrophobicContact CB-CE1 4.27Å; K143-Y151 HydrophobicContact CD-CG 4.47Å; K143-Y151 HydrophobicContact CG-CD1 3.52Å; K143-Y151 HydrophobicContact CG-CD2 4.11Å; K143-Y151 HydrophobicContact CG-CE1 3.63Å; K143-Y151 HydrophobicContact CG-CE2 4.24Å; K143-Y151 HydrophobicContact CG-CG 3.76Å; I147-Y151 PolarHBondContact N-OH 3.45Å; Y148-Y151 HydrophobicContact CD2-CD1 4.35Å; Y148-Y151 AromaticContact CD2-CE1 3.53Å; Y148-Y151 HydrophobicContact CD2-CE1 3.53Å; Y148-Y151 AromaticContact CD2-CZ 3.84Å; Y148-Y151 HydrophobicContact CE2-CE1 4.5Å; Y148-Y151 HydrophobicContact CG-CE1 4.17Å; Y148-Y151 PolarHBondContact N-OH 3.5Å; Y148-Y151 WeakPolarHBondContact O-CE2 3.47Å
152	Y	94.5	Very high	91.2	Very high	40 Å²	40	71.7 Å²	71.7	16%	0.157	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	122.4	177.2	-57.4	-92.2	0	0	0	109	D130 Y131 I132 D133 N150 S163 L164	D130-Y152 HydrophobicContact CB-CE2 4.33Å; Y131-Y152 VanDerWaalsContact O-CD2 3.3Å; Y131-Y152 WeakPolarHBondContact O-CD2 3.48Å; Y131-Y152 PolarHBondContact O-N 3.43Å; I132-Y152 WeakPolarHBondContact CA-O 3.25Å; D133-Y152 PolarHBondContact N-O 2.92Å; D133-Y152 VanDerWaalsContact N-O 3.11Å; N150-Y152 HydrophobicContact CB-CD2 4.41Å; N150-Y152 HydrophobicContact CB-CE2 3.55Å; Y152-S163 VanDerWaalsContact CE1-O 3.29Å; Y152-S163 WeakPolarHBondContact CE1-O 3.3Å; Y152-L164 HydrophobicContact CD2-CD2 3.36Å; Y152-L164 HydrophobicContact CD2-CG 4.08Å; Y152-L164 HydrophobicContact CE2-CD2 3.51Å; Y152-L164 HydrophobicContact CE2-CG 4.43Å; Y152-L164 HydrophobicContact CG-CD2 3.99Å; Y152-L164 HydrophobicContact CG-CG 4.21Å
153	C	94.7	Very high	90.8	Very high	60 Å²	60	74.5 Å²	74.5	41%	0.405	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	89.1	177.3	-167.5	0	0	0	0	108.7	D133 T139	D133-C153 CarbonylContact O-C 3.57Å; D133-C153 VanDerWaalsContact O-CA 3.26Å; D133-C153 WeakPolarHBondContact O-CA 3.47Å; T139-C153 HydrophobicContact CG2-CB 4.14Å
154	E	90.1	Very high	90.1	Very high	30 Å²	30	70.1 Å²	70.1	14%	0.14	39%	0.386	C	S	.	.			trans	-156.1	145.9	-179.1	65.7	179.5	-163	0	0	112.2	I132 D133 L156 S162 S163	I132-E154 HydrophobicContact CD1-CG 3.49Å; I132-E154 VanDerWaalsContact CD1-CG 3.49Å; I132-E154 WeakPolarHBondContact CD1-OE1 3.45Å; I132-E154 HydrophobicContact CG1-CG 4.07Å; D133-E154 PolarHBondContact O-N 3.39Å; E154-L156 PolarHBondContact O-N 3.28Å; E154-S162 WeakPolarHBondContact OE1-CA 3.49Å; E154-S162 WeakPolarHBondContact OE1-CB 3.35Å; E154-S162 PolarHBondContact OE1-OG 2.91Å; E154-S163 PolarHBondContact OE1-N 3.36Å; E154-S163 PolarHBondContact OE1-OG 2.95Å; E154-S163 WeakPolarHBondContact OE2-CB 3.49Å; E154-S163 PolarHBondContact OE2-N 2.94Å; E154-S163 PolarHBondContact OE2-OG 3.1Å
155	M	87	Confident	88.8	Confident	63 Å²	63	70.3 Å²	70.3	31%	0.31	38%	0.383	S	S	.	.			trans	-72.1	125	169.6	-64.2	-67.5	-74.8	0	0	110.2	A67 G134 L157 K160	A67-M155 HydrophobicContact CB-SD 4.27Å; G134-M155 VanDerWaalsContact CA-SD 3.59Å; M155-L157 HydrophobicContact CB-CD1 4.26Å; M155-L157 HydrophobicContact CB-CD2 4.33Å; M155-L157 HydrophobicContact CB-CG 4.01Å; M155-K160 PolarHBondContact O-NZ 2.53Å; M155-K160 VanDerWaalsContact O-NZ 3.16Å
156	L	83.1	Confident	87.1	Confident	78 Å²	78	72.3 Å²	72.3	41%	0.408	40%	0.401	S	S	.	.			trans	-79.9	115.4	165.9	-66.3	-179.1	0	0	0	108.8	I110 I132 E154	I110-L156 HydrophobicContact CG2-CD1 3.53Å; I132-L156 HydrophobicContact CD1-CD1 4.2Å; I132-L156 HydrophobicContact CD1-CD2 3.57Å; I132-L156 HydrophobicContact CD1-CG 3.84Å; I132-L156 HydrophobicContact CG2-CD1 4.31Å; E154-L156 PolarHBondContact O-N 3.28Å
157	L	81.2	Confident	85.4	Confident	63 Å²	63	71.4 Å²	71.4	33%	0.33	39%	0.392	S	S	.	.			trans	-130.4	151	-173.5	-64.1	175.3	0	0	0	110.9	M155 G159 K160	M155-L157 HydrophobicContact CB-CD1 4.26Å; M155-L157 HydrophobicContact CB-CD2 4.33Å; M155-L157 HydrophobicContact CB-CG 4.01Å; L157-G159 PolarHBondContact O-N 3.02Å; L157-K160 HydrophobicContact CB-CB 4.15Å; L157-K160 PolarHBondContact O-N 2.74Å; L157-K160 VanDerWaalsContact O-N 3.08Å
158	P	77.9	Confident	83.6	Confident	134 Å²	134	80 Å²	80	87%	0.87	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	129.5	174.6	-26.6	34.9	0	0	0	112.2	K160	P158-K160 PolarHBondContact O-N 2.96Å
159	G	84	Confident	81.8	Confident	93 Å²	93	81.5 Å²	81.5	96%	0.959	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	-5	178.9	0	0	0	0	0	115.9	L157	L157-G159 PolarHBondContact O-N 3.02Å
160	K	83.3	Confident	80.1	Confident	102 Å²	102	84 Å²	84	44%	0.443	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-93.4	123.6	174.6	-176.5	-173.2	168.6	-160.7	0	109.9	M155 L157 P158	M155-K160 PolarHBondContact O-NZ 2.53Å; M155-K160 VanDerWaalsContact O-NZ 3.16Å; L157-K160 HydrophobicContact CB-CB 4.15Å; L157-K160 PolarHBondContact O-N 2.74Å; L157-K160 VanDerWaalsContact O-N 3.08Å; P158-K160 PolarHBondContact O-N 2.96Å
161	R	85.2	Confident	78.4	Confident	215 Å²	215	83.6 Å²	83.6	81%	0.811	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-72.9	130.3	171.5	-169.4	175.9	-176.6	-172.7	-0.3	110
162	S	87.2	Confident	76.4	Confident	30 Å²	30	87.4 Å²	87.4	21%	0.21	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-70.8	151.7	174.4	176.4	0	0	0	0	111.8	E154 L164	E154-S162 WeakPolarHBondContact OE1-CA 3.49Å; E154-S162 WeakPolarHBondContact OE1-CB 3.35Å; E154-S162 PolarHBondContact OE1-OG 2.91Å; S162-L164 VanDerWaalsContact C-N 3.26Å; S162-L164 VanDerWaalsContact OG-CB 3.27Å; S162-L164 WeakPolarHBondContact OG-CB 3.4Å; S162-L164 WeakPolarHBondContact OG-CD1 2.99Å; S162-L164 WeakPolarHBondContact OG-CG 3.23Å; S162-L164 PolarHBondContact OG-N 3.37Å
163	S	88.4	Confident	74.6	Confident	60 Å²	60	87.8 Å²	87.8	42%	0.42	46%	0.463	S	S	.	.	S	Bend	trans	-80.1	-5	167.9	60.2	0	0	0	0	113.5	Y152 E154 E165	Y152-S163 VanDerWaalsContact CE1-O 3.29Å; Y152-S163 WeakPolarHBondContact CE1-O 3.3Å; E154-S163 PolarHBondContact OE1-N 3.36Å; E154-S163 PolarHBondContact OE1-OG 2.95Å; E154-S163 WeakPolarHBondContact OE2-CB 3.49Å; E154-S163 PolarHBondContact OE2-N 2.94Å; E154-S163 PolarHBondContact OE2-OG 3.1Å; S163-E165 PolarHBondContact O-N 3.06Å
164	L	83.8	Confident	72.6	Confident	25 Å²	25	89 Å²	89	13%	0.131	46%	0.462	C	S	.	.			trans	-55.1	121	163.7	-78.5	162.6	0	0	0	108.7	V108 I132 Y152 S162 P166	V108-L164 HydrophobicContact CG1-CD1 4.04Å; V108-L164 HydrophobicContact CG1-CD2 3.99Å; V108-L164 HydrophobicContact CG2-CD2 4.25Å; I132-L164 HydrophobicContact CB-CD1 3.95Å; I132-L164 HydrophobicContact CB-CD2 4.47Å; I132-L164 HydrophobicContact CB-CG 4.36Å; I132-L164 HydrophobicContact CD1-CD1 3.49Å; I132-L164 VanDerWaalsContact CD1-CD1 3.49Å; I132-L164 HydrophobicContact CD1-CG 3.87Å; I132-L164 HydrophobicContact CG1-CD1 4.34Å; I132-L164 HydrophobicContact CG2-CD1 3.78Å; Y152-L164 HydrophobicContact CD2-CD2 3.36Å; Y152-L164 HydrophobicContact CD2-CG 4.08Å; Y152-L164 HydrophobicContact CE2-CD2 3.51Å; Y152-L164 HydrophobicContact CE2-CG 4.43Å; Y152-L164 HydrophobicContact CG-CD2 3.99Å; Y152-L164 HydrophobicContact CG-CG 4.21Å; S162-L164 VanDerWaalsContact C-N 3.26Å; S162-L164 VanDerWaalsContact OG-CB 3.27Å; S162-L164 WeakPolarHBondContact OG-CB 3.4Å; S162-L164 WeakPolarHBondContact OG-CD1 2.99Å; S162-L164 WeakPolarHBondContact OG-CG 3.23Å; S162-L164 PolarHBondContact OG-N 3.37Å; L164-P166 VanDerWaalsContact O-CD 3.23Å; L164-P166 WeakPolarHBondContact O-CD 3.49Å
165	E	72.8	Confident	70.9	Confident	131 Å²	131	87.7 Å²	87.7	61%	0.612	46%	0.456	S	S	*	.			trans	-78.4	110.9	172.2	-69.5	-67.6	161.1	0	0	108	W106 S163 G167	W106-E165 WeakPolarHBondContact CH2-O 3.26Å; W106-E165 WeakPolarHBondContact CZ2-O 3.37Å; S163-E165 PolarHBondContact O-N 3.06Å; E165-G167 VanDerWaalsContact C-N 3.35Å; E165-G167 PolarHBondContact O-N 3.49Å
166	P	61.5	Low	69	Low	93 Å²	93	90.8 Å²	90.8	60%	0.604	47%	0.474	S	S	*	.			trans	-71.7	96.5	175.7	26.7	-24.1	0	0	0	107.6	L164	L164-P166 VanDerWaalsContact O-CD 3.23Å; L164-P166 WeakPolarHBondContact O-CD 3.49Å
167	G	60.7	Low	67.3	Low	34 Å²	34	87.7 Å²	87.7	35%	0.351	46%	0.459	S	S	.	.			trans	-72	-159.1	158.3	0	0	0	0	0	111	E165 L169	E165-G167 VanDerWaalsContact C-N 3.35Å; E165-G167 PolarHBondContact O-N 3.49Å; G167-L169 PolarHBondContact O-N 3.33Å
168	K	58.5	Low	65.3	Low	202 Å²	202	86.1 Å²	86.1	88%	0.878	46%	0.455	S	S	*	.	S	Bend	trans	-65.7	69	167.5	-67.4	-177.1	179.3	-176.9	0	109.6	R170	K168-R170 PolarHBondContact O-N 2.92Å
169	L	57.9	Low	63.2	Low	42 Å²	42	84.9 Å²	84.9	22%	0.22	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	125.3	-177.4	-172.3	74.7	0	0	0	108.1	W106 V108 G167 F172	W106-L169 HydrophobicContact CG-CD1 4.3Å; V108-L169 HydrophobicContact CB-CD1 4.01Å; V108-L169 HydrophobicContact CG2-CD1 3.28Å; V108-L169 HydrophobicContact CG2-CD2 4.43Å; G167-L169 PolarHBondContact O-N 3.33Å; L169-F172 HydrophobicContact CD2-CD1 3.57Å; L169-F172 HydrophobicContact CD2-CD2 3.69Å; L169-F172 HydrophobicContact CD2-CE1 3.18Å; L169-F172 HydrophobicContact CD2-CE2 3.27Å; L169-F172 HydrophobicContact CD2-CG 3.86Å; L169-F172 HydrophobicContact CD2-CZ 3.03Å
170	R	60.7	Low	62.1	Low	155 Å²	155	84.5 Å²	84.5	59%	0.585	42%	0.419	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	-26.1	-171.1	-137.6	176.2	-175.1	-178.2	-0.8	113.3	D102 S105 W106 K168	D102-R170 VanDerWaalsContact CB-NH1 3.31Å; D102-R170 IonicContact OD2-NH1 3.2Å; D102-R170 PolarHBondContact OD2-NH1 3.2Å; S105-R170 VanDerWaalsContact OG-CD 3.28Å; S105-R170 WeakPolarHBondContact OG-CD 3.46Å; S105-R170 PolarHBondContact OG-NH1 2.86Å; W106-R170 PolarHBondContact O-N 3.32Å; K168-R170 PolarHBondContact O-N 2.92Å
171	L	57.4	Low	61	Low	52 Å²	52	83.6 Å²	83.6	27%	0.272	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	131.3	179.8	-174.5	62	0	0	0	110.2	V96 V100 L107	V96-L171 HydrophobicContact CG2-CD2 4.2Å; V100-L171 HydrophobicContact CG2-CD2 3.74Å; L107-L171 HydrophobicContact CD2-CB 4.02Å
172	F	55.5	Low	59.7	Low	133 Å²	133	76.3 Å²	76.3	58%	0.583	40%	0.396	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	125.2	164.1	-76.6	-73.4	0	0	0	108.1	I110 L169	I110-F172 HydrophobicContact CD1-CB 4.1Å; I110-F172 HydrophobicContact CD1-CD1 3.28Å; I110-F172 HydrophobicContact CD1-CE1 3.94Å; I110-F172 HydrophobicContact CD1-CG 4.06Å; I110-F172 HydrophobicContact CG1-CD1 4.17Å; L169-F172 HydrophobicContact CD2-CD1 3.57Å; L169-F172 HydrophobicContact CD2-CD2 3.69Å; L169-F172 HydrophobicContact CD2-CE1 3.18Å; L169-F172 HydrophobicContact CD2-CE2 3.27Å; L169-F172 HydrophobicContact CD2-CG 3.86Å; L169-F172 HydrophobicContact CD2-CZ 3.03Å
173	Y	56.3	Low	58.1	Low	48 Å²	48	79 Å²	79	19%	0.188	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129	168.3	-179.8	-104.6	0	0	0	109.7	V92 V108 I110 S175	V92-Y173 HydrophobicContact CB-CE1 3.96Å; V92-Y173 HydrophobicContact CB-CE2 4.33Å; V92-Y173 HydrophobicContact CG1-CD1 3.46Å; V92-Y173 VanDerWaalsContact CG1-CD1 3.46Å; V92-Y173 HydrophobicContact CG1-CD2 3.96Å; V92-Y173 HydrophobicContact CG1-CE1 3.28Å; V92-Y173 HydrophobicContact CG1-CE2 3.86Å; V92-Y173 HydrophobicContact CG1-CG 3.82Å; V92-Y173 HydrophobicContact CG2-CD1 4.42Å; V92-Y173 HydrophobicContact CG2-CE1 3.44Å; V92-Y173 VanDerWaalsContact CG2-CE1 3.44Å; V92-Y173 HydrophobicContact CG2-CE2 3.61Å; V92-Y173 WeakPolarHBondContact CG2-OH 3.34Å; V108-Y173 PolarHBondContact O-N 3.29Å; I110-Y173 VanDerWaalsContact CB-O 3.32Å; I110-Y173 WeakPolarHBondContact CB-O 3.47Å; I110-Y173 PolarHBondContact N-O 3.5Å; Y173-S175 VanDerWaalsContact CE1-N 3.27Å
174	F	52.3	Low	56.2	Low	86 Å²	86	80.2 Å²	80.2	38%	0.377	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	103.9	172.9	-166.3	-92.8	0	0	0	107.8	I110 C111 N176 V179	I110-F174 HydrophobicContact CB-CD2 4.17Å; I110-F174 HydrophobicContact CG2-CD2 3.65Å; I110-F174 HydrophobicContact CG2-CE2 3.89Å; C111-F174 HydrophobicContact CB-CE2 4.11Å; C111-F174 HydrophobicContact CB-CZ 4.16Å; C111-F174 WeakPolarHBondContact SG-CE2 3.2Å; F174-N176 PolarHBondContact O-N 3Å; F174-V179 HydrophobicContact CE1-CG2 3.59Å; F174-V179 HydrophobicContact CZ-CB 4.34Å; F174-V179 HydrophobicContact CZ-CG1 4.05Å; F174-V179 HydrophobicContact CZ-CG2 3.35Å
175	S	54.8	Low	54.3	Low	3 Å²	3	83.9 Å²	83.9	2%	0.021	43%	0.425	C	S	.	.			trans	-63.5	129.7	171.5	-171.4	0	0	0	0	107.8	I110 S117 Y173 C177	I110-S175 PolarHBondContact O-N 3.39Å; I110-S175 VanDerWaalsContact O-N 3.1Å; S117-S175 PolarHBondContact OG-OG 2.99Å; Y173-S175 VanDerWaalsContact CE1-N 3.27Å; S175-C177 PolarHBondContact O-N 2.81Å
176	N	47.1	Very low	53	Low	127 Å²	127	80.5 Å²	80.5	68%	0.679	41%	0.411	S	S	*	.			trans	-63.2	33.4	178.1	-82.9	-40.9	0	0	0	113.6	F174 A178	F174-N176 PolarHBondContact O-N 3Å; N176-A178 PolarHBondContact O-N 3.46Å
177	C	47.2	Very low	52.4	Low	14 Å²	14	79.5 Å²	79.5	10%	0.095	40%	0.396	C	S	.	.			trans	-71.3	77.5	163.8	-69.4	0	0	0	0	108.2	S175 V179	S175-C177 PolarHBondContact O-N 2.81Å; C177-V179 PolarHBondContact O-N 3.02Å
178	A	39.5	Very low	51.7	Low	30 Å²	30	83.3 Å²	83.3	25%	0.248	40%	0.4	C	S	.	.			trans	27.8	82.3	146.7	0	0	0	0	0	115	F55 Y70 N176	F55-A178 HydrophobicContact CD1-CB 3.48Å; F55-A178 VanDerWaalsContact CD1-CB 3.48Å; F55-A178 HydrophobicContact CD2-CB 3.76Å; F55-A178 HydrophobicContact CE1-CB 3.35Å; F55-A178 HydrophobicContact CE2-CB 3.66Å; F55-A178 WeakPolarHBondContact CE2-O 3.41Å; F55-A178 HydrophobicContact CG-CB 3.69Å; F55-A178 VanDerWaalsContact CZ-CA 3.5Å; F55-A178 HydrophobicContact CZ-CB 3.46Å; F55-A178 VanDerWaalsContact CZ-CB 3.46Å; F55-A178 VanDerWaalsContact CZ-O 3.3Å; F55-A178 WeakPolarHBondContact CZ-O 3.34Å; Y70-A178 WeakPolarHBondContact OH-CB 3.31Å; Y70-A178 PolarHBondContact OH-O 3Å; Y70-A178 VanDerWaalsContact OH-O 3.05Å; N176-A178 PolarHBondContact O-N 3.46Å
179	V	32.8	Very low	51	Low	108 Å²	108	72.5 Å²	72.5	66%	0.655	36%	0.357	S	S	*	.			trans	-103	0	159.4	-83.9	0	0	0	0	111.3	F55 Y62 F174 C177	F55-V179 WeakPolarHBondContact CZ-O 3.29Å; Y62-V179 PolarHBondContact OH-OXT 3.15Å; F174-V179 HydrophobicContact CE1-CG2 3.59Å; F174-V179 HydrophobicContact CZ-CB 4.34Å; F174-V179 HydrophobicContact CZ-CG1 4.05Å; F174-V179 HydrophobicContact CZ-CG2 3.35Å; C177-V179 PolarHBondContact O-N 3.02Å

Retrieved 179 of 179 residues in 159.7 ms (Link to these results)

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