A0A3Q0KEM2_SCHMA Loading...

ATP synthase subunit beta

Produces ATP from ADP in the presence of a proton gradient across the membrane.

AlphaFold DB , UniProt , Accession A0A3Q0KEM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 517 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	32.7	Very low	29.6	Very low	239 Å²	239	148.5 Å²	148.5	100%	1.177	80%	0.795	S	S	*	*				0	122.2	0	-82.5	176	173.8	0	0	108.3
2	S	32.5	Very low	29.9	Very low	109 Å²	109	152 Å²	152	76%	0.762	80%	0.798	S	S	*	*			trans	23.6	103.8	162.6	57.8	0	0	0	0	118.1
3	F	23.9	Very low	29.8	Very low	186 Å²	186	153.6 Å²	153.6	82%	0.816	80%	0.795	S	S	*	*				46	103.8	81.2	-93.6	-101.7	0	0	0	115.4
4	L	27.9	Very low	29.9	Very low	149 Å²	149	153.9 Å²	153.9	78%	0.78	80%	0.797	S	S	*	*				54.4	104	125.3	-83	149.6	0	0	0	119.2
5	R	31.1	Very low	29.4	Very low	246 Å²	246	158.2 Å²	158.2	93%	0.928	80%	0.799	S	S	*	*			trans	-147.8	112.3	147.2	-80.7	-169.1	178.9	-167.1	-1.3	106.8
6	S	28.5	Very low	29.6	Very low	99 Å²	99	155.8 Å²	155.8	69%	0.692	80%	0.797	S	S	*	*				101.1	118.9	76.7	170.8	0	0	0	0	109.3
7	L	33.8	Very low	29.6	Very low	158 Å²	158	152.6 Å²	152.6	83%	0.827	79%	0.787	S	S	*	*			trans	164	85	140.2	-84.8	167.4	0	0	0	105.5
8	S	29.4	Very low	29.6	Very low	82 Å²	82	150.2 Å²	150.2	57%	0.573	79%	0.786	S	S	*	*				77.6	113.3	84.7	68.4	0	0	0	0	113.3
9	N	27.3	Very low	29.4	Very low	148 Å²	148	151.4 Å²	151.4	79%	0.791	79%	0.793	S	S	*	*			trans	60.7	124.4	140.1	-57.1	-20.6	0	0	0	116.3
10	V	33.4	Very low	29.4	Very low	125 Å²	125	151.5 Å²	151.5	76%	0.758	79%	0.794	S	S	*	*				-151.7	123.5	65.3	165.7	0	0	0	0	110.8	K12	V10-K12 PolarHBondContact O-N 3.13Å
11	S	25.7	Very low	29.3	Very low	92 Å²	92	148.3 Å²	148.3	64%	0.643	79%	0.785	S	S	*	*			trans	-58.7	118.2	158.3	44.7	0	0	0	0	112.3
12	K	33.3	Very low	29.1	Very low	191 Å²	191	145.2 Å²	145.2	83%	0.83	77%	0.767	S	S	*	*			trans	-123.9	95.5	146.3	-77.4	-178.8	175.8	178.4	0	105.4	V10	V10-K12 PolarHBondContact O-N 3.13Å
13	F	28.6	Very low	29	Very low	173 Å²	173	149.5 Å²	149.5	76%	0.759	77%	0.772	S	S	*	*				42	111.2	94.3	-84.1	-93.2	0	0	0	110
14	L	30.9	Very low	29.1	Very low	157 Å²	157	146.7 Å²	146.7	82%	0.822	77%	0.774	S	S	*	*			cis	-162	148.1	33.8	-84.5	136.2	0	0	0	110.6
15	R	22.6	Very low	29.3	Very low	219 Å²	219	144.1 Å²	144.1	83%	0.826	77%	0.769	S	S	*	*			trans	-81	157.4	165.3	-72.4	177.7	172.3	-175.7	-2.9	110.8	T17	R15-T17 HydrophobicContact CB-CG2 4.44Å
16	P	32.3	Very low	29.2	Very low	119 Å²	119	138 Å²	138	77%	0.773	76%	0.763	S	S	*	*				-130.8	110.7	111.1	32.5	-20.7	0	0	0	109.8
17	T	28.8	Very low	29.5	Very low	102 Å²	102	138.3 Å²	138.3	63%	0.626	76%	0.761	S	S	*	*				38.5	94.8	92.8	61.3	0	0	0	0	115.7	R15	R15-T17 HydrophobicContact CB-CG2 4.44Å
18	S	30.6	Very low	29.2	Very low	110 Å²	110	140.7 Å²	140.7	77%	0.769	77%	0.765	S	S	*	*				162.7	92.1	104.3	49.1	0	0	0	0	110.5
19	N	25.8	Very low	29.4	Very low	172 Å²	172	143.3 Å²	143.3	92%	0.92	77%	0.772	S	S	*	*			trans	-94.1	102	159.1	-92.3	-13.7	0	0	0	106.9
20	L	29.6	Very low	29.7	Very low	154 Å²	154	141 Å²	141	81%	0.806	77%	0.767	S	S	*	*			trans	-134.3	95.3	165.3	-96.1	159.1	0	0	0	107.5
21	S	26	Very low	29.5	Very low	85 Å²	85	143.1 Å²	143.1	59%	0.594	77%	0.769	S	S	*	*			trans	32.4	132.1	134	59	0	0	0	0	120
22	Q	29.2	Very low	29.7	Very low	173 Å²	173	148 Å²	148	81%	0.808	78%	0.779	S	S	*	*			trans	77.6	96.4	145.8	-69.4	171.4	-26.2	0	0	117.6
23	F	31.4	Very low	29.4	Very low	200 Å²	200	148.7 Å²	148.7	88%	0.877	78%	0.776	S	S	*	*			trans	-131.1	109.7	136.5	-100	-85.8	0	0	0	109.5	S25	F23-S25 PolarHBondContact O-N 3.14Å
24	C	25.5	Very low	29.4	Very low	126 Å²	126	144.1 Å²	144.1	85%	0.851	78%	0.777	S	S	*	*			trans	-50.8	123	159.1	-68.4	0	0	0	0	109.3
25	S	32.6	Very low	29.5	Very low	95 Å²	95	144.2 Å²	144.2	66%	0.664	77%	0.768	S	S	*	*			trans	-136.2	94.6	161.4	-39.7	0	0	0	0	107.4	F23 T27	F23-S25 PolarHBondContact O-N 3.14Å; S25-T27 VanDerWaalsContact C-N 3.34Å; S25-T27 PolarHBondContact O-N 3.24Å
26	S	28.2	Very low	29.8	Very low	117 Å²	117	136.7 Å²	136.7	82%	0.818	75%	0.752	S	S	*	*			trans	-57.7	96.9	163.5	50.8	0	0	0	0	108.6
27	T	33.7	Very low	29.8	Very low	106 Å²	106	136.6 Å²	136.6	65%	0.65	75%	0.749	S	S	*	*			trans	-110.5	101.4	165.1	-36.6	0	0	0	0	105.6	S25 I29	S25-T27 VanDerWaalsContact C-N 3.34Å; S25-T27 PolarHBondContact O-N 3.24Å; T27-I29 HydrophobicContact CG2-CG1 4.32Å; T27-I29 PolarHBondContact O-N 2.69Å
28	F	28.6	Very low	29.7	Very low	208 Å²	208	141.1 Å²	141.1	91%	0.912	76%	0.763	S	S	*	*			trans	-59.9	86.7	164.8	-91.1	-96.8	0	0	0	107.4	S30	F28-S30 VanDerWaalsContact C-N 3.26Å; F28-S30 PolarHBondContact O-N 3.39Å
29	I	33.9	Very low	29.5	Very low	138 Å²	138	140.4 Å²	140.4	71%	0.708	76%	0.764	S	S	*	*			trans	-77.3	93	164.8	-61.1	176.6	0	0	0	104.6	T27 Q31	T27-I29 HydrophobicContact CG2-CG1 4.32Å; T27-I29 PolarHBondContact O-N 2.69Å; I29-Q31 VanDerWaalsContact C-N 3.3Å; I29-Q31 PolarHBondContact O-N 2.96Å
30	S	32.4	Very low	29.7	Very low	99 Å²	99	141.5 Å²	141.5	69%	0.692	76%	0.761	S	S	*	*			trans	-54.9	102.2	159.2	-180	0	0	0	0	106.4	F28 K32	F28-S30 VanDerWaalsContact C-N 3.26Å; F28-S30 PolarHBondContact O-N 3.39Å; S30-K32 PolarHBondContact O-N 3.34Å
31	Q	30.8	Very low	29.9	Very low	170 Å²	170	139 Å²	139	79%	0.794	75%	0.754	S	S	*	*			trans	-64.8	88.3	167.7	-82.5	-177	-25.7	0	0	106.9	I29 R33	I29-Q31 VanDerWaalsContact C-N 3.3Å; I29-Q31 PolarHBondContact O-N 2.96Å; Q31-R33 PolarHBondContact O-N 3.44Å
32	K	29.1	Very low	30.4	Very low	195 Å²	195	138.7 Å²	138.7	85%	0.848	76%	0.756	S	S	*	*			trans	-59.5	104.9	158.6	-80.4	-170.6	172.5	-169.4	0	106.4	S30 G34	S30-K32 PolarHBondContact O-N 3.34Å; K32-G34 VanDerWaalsContact C-N 3.29Å; K32-G34 PolarHBondContact O-N 3.41Å
33	R	27.1	Very low	30.5	Very low	205 Å²	205	134.9 Å²	134.9	77%	0.774	75%	0.754	S	S	*	*			trans	-65.7	93.4	165.1	-78.2	179.7	171.5	178.9	-3.7	106.9	Q31 Y35	Q31-R33 PolarHBondContact O-N 3.44Å; R33-Y35 HydrophobicContact CB-CD2 4.34Å; R33-Y35 HydrophobicContact CB-CE2 4.05Å; R33-Y35 PolarHBondContact O-N 3.06Å
34	G	28.6	Very low	30.8	Very low	76 Å²	76	129.8 Å²	129.8	78%	0.784	75%	0.749	S	S	*	*			trans	-76.5	104.7	169.6	0	0	0	0	0	109	K32	K32-G34 VanDerWaalsContact C-N 3.29Å; K32-G34 PolarHBondContact O-N 3.41Å
35	Y	33.8	Very low	31.6	Very low	160 Å²	160	127.5 Å²	127.5	63%	0.627	74%	0.739	S	S	*	*			trans	-91.1	140.5	155.2	-67.7	-87.3	0	0	0	106.2	R33	R33-Y35 HydrophobicContact CB-CD2 4.34Å; R33-Y35 HydrophobicContact CB-CE2 4.05Å; R33-Y35 PolarHBondContact O-N 3.06Å
36	A	28.9	Very low	32.5	Very low	60 Å²	60	127.2 Å²	127.2	50%	0.496	74%	0.742	S	S	.	*	S	Bend	trans	68.7	104.2	175.8	0	0	0	0	0	120.5
37	V	31.2	Very low	34.2	Very low	118 Å²	118	124.3 Å²	124.3	72%	0.715	73%	0.726	S	S	*	*				77.1	101.4	111	-171.6	0	0	0	0	117.2
38	E	26.8	Very low	36.6	Very low	196 Å²	196	120 Å²	120	92%	0.916	70%	0.7	S	S	*	*			trans	-98	149.9	147.4	-85.1	-173.3	161.6	0	0	110.7
39	A	26.7	Very low	39.5	Very low	96 Å²	96	113.2 Å²	113.2	79%	0.793	68%	0.676	S	S	*	*	S	Bend	trans	-72.1	169.3	-161.5	0	0	0	0	0	117.9
40	K	29	Very low	42.3	Very low	195 Å²	195	106.7 Å²	106.7	85%	0.848	64%	0.642	S	S	*	*	S	Bend	trans	78	142.3	-178.5	-87.7	-178.6	178.5	174.9	0	115.5	A42	K40-A42 PolarHBondContact O-N 3.37Å
41	P	34.4	Very low	45.3	Very low	102 Å²	102	107.7 Å²	107.7	66%	0.662	63%	0.631	S	S	*	*			trans	-57.9	119.6	-165.7	24.3	-32	0	0	0	108.3	A43	P41-A43 PolarHBondContact O-N 3.26Å
42	A	36.2	Very low	48.4	Very low	78 Å²	78	99.7 Å²	99.7	65%	0.645	59%	0.594	S	S	*	*			trans	-47.8	115.1	171.5	0	0	0	0	0	106.5	K40 A44	K40-A42 PolarHBondContact O-N 3.37Å; A42-A44 PolarHBondContact O-N 3.16Å
43	A	32.3	Very low	51.5	Low	93 Å²	93	93.4 Å²	93.4	77%	0.769	57%	0.571	S	S	*	*			trans	-46.8	117.1	166	0	0	0	0	0	105.3	P41 A45	P41-A43 PolarHBondContact O-N 3.26Å; A43-A45 VanDerWaalsContact C-N 3.33Å; A43-A45 PolarHBondContact O-N 2.69Å
44	A	37.6	Very low	54.7	Low	92 Å²	92	84.7 Å²	84.7	76%	0.76	54%	0.543	S	S	*	.			trans	-38.9	97.8	-167.9	0	0	0	0	0	110	A42 A46	A42-A44 PolarHBondContact O-N 3.16Å; A44-A46 PolarHBondContact O-N 3.1Å; A44-A46 VanDerWaalsContact O-N 3.12Å
45	A	42.6	Very low	57.8	Low	79 Å²	79	83.6 Å²	83.6	65%	0.653	52%	0.521	S	S	*	.			trans	-55.1	124.8	167.7	0	0	0	0	0	103.8	A43 A47	A43-A45 VanDerWaalsContact C-N 3.33Å; A43-A45 PolarHBondContact O-N 2.69Å; A45-A47 WeakPolarHBondContact O-CA 3.41Å; A45-A47 PolarHBondContact O-N 3.37Å
46	A	50.5	Low	60.6	Low	88 Å²	88	80.2 Å²	80.2	73%	0.727	51%	0.513	S	S	*	.			trans	-36.1	108.3	-167	0	0	0	0	0	110.2	A44 S48	A44-A46 PolarHBondContact O-N 3.1Å; A44-A46 VanDerWaalsContact O-N 3.12Å; A46-S48 PolarHBondContact O-N 3.03Å
47	A	64.8	Low	63.4	Low	57 Å²	57	79.7 Å²	79.7	47%	0.471	51%	0.514	S	S	.	.			trans	-57.8	101.7	-164.4	0	0	0	0	0	109	A45 T49 V115	A45-A47 WeakPolarHBondContact O-CA 3.41Å; A45-A47 PolarHBondContact O-N 3.37Å; A47-T49 PolarHBondContact O-N 2.78Å; A47-V115 HydrophobicContact CB-CG1 3.9Å
48	S	83	Confident	66.3	Low	15 Å²	15	74.6 Å²	74.6	11%	0.105	48%	0.484	C	S	.	.			trans	-67.3	122.7	-177.9	51.6	0	0	0	0	107.3	A46 F64 N67 D116	A46-S48 PolarHBondContact O-N 3.03Å; S48-F64 WeakPolarHBondContact O-CE1 3.34Å; S48-N67 WeakPolarHBondContact CB-O 3.24Å; S48-D116 PolarHBondContact O-N 2.85Å; S48-D116 VanDerWaalsContact O-N 3.08Å; S48-D116 VanDerWaalsContact OG-CB 3.3Å; S48-D116 WeakPolarHBondContact OG-CB 3.45Å
49	T	90.5	Very high	69.5	Low	65 Å²	65	65.3 Å²	65.3	40%	0.399	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	125.3	178.7	53.1	0	0	0	0	109.1	A47 C114 V115	A47-T49 PolarHBondContact O-N 2.78Å; T49-C114 CarbonylContact C-O 3.54Å; T49-C114 WeakPolarHBondContact CA-O 3.45Å; T49-V115 HydrophobicContact CG2-CG2 4.26Å
50	G	93	Very high	72.8	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.01	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	170.2	170.3	0	0	0	0	0	111.9	Q63 Q113 C114	G50-Q63 CarbonylContact C-O 3.44Å; G50-Q63 WeakPolarHBondContact CA-O 3.37Å; G50-Q113 WeakPolarHBondContact O-CA 3.43Å; G50-C114 PolarHBondContact N-O 3.04Å; G50-C114 PolarHBondContact O-N 3.02Å
51	R	94.9	Very high	76	Confident	120 Å²	120	52.2 Å²	52.2	45%	0.453	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	137.2	176.3	-57.4	178.3	-150	175.3	9.9	109.7	V53 V62 Q63 D65 Q112	R51-V53 PolarHBondContact O-N 3.15Å; R51-V62 WeakPolarHBondContact O-CA 3.47Å; R51-Q63 PolarHBondContact N-O 3.46Å; R51-Q63 PolarHBondContact O-N 3.07Å; R51-D65 IonicContact CZ-OD2 2.79Å; R51-D65 IonicContact NE-OD2 3.67Å; R51-D65 IonicContact NH2-OD1 3.18Å; R51-D65 IonicContact NH2-OD2 3.51Å; R51-D65 PolarHBondContact NH2-OD2 2.87Å; R51-Q112 WeakPolarHBondContact CA-O 3.36Å
52	V	95.7	Very high	78.9	Confident	3 Å²	3	47.4 Å²	47.4	2%	0.018	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	123.1	176.6	177.2	0	0	0	0	109.9	V55 V60 R110 G111 Q112 C114	V52-V55 HydrophobicContact CG1-CG2 3.68Å; V52-V60 HydrophobicContact CG1-CG1 3.82Å; V52-V60 HydrophobicContact CG2-CG1 4.06Å; V52-R110 CarbonylContact O-C 3.45Å; V52-R110 WeakPolarHBondContact O-CA 3.3Å; V52-G111 PolarHBondContact O-N 2.75Å; V52-Q112 HydrophobicContact CG2-CB 4.26Å; V52-Q112 PolarHBondContact N-O 2.7Å; V52-C114 VanDerWaalsContact CG2-SG 3.58Å
53	V	95	Very high	81.8	Confident	62 Å²	62	47.4 Å²	47.4	38%	0.376	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-44.1	176.7	179	0	0	0	0	110.8	R51 D61 Q63 R110	R51-V53 PolarHBondContact O-N 3.15Å; V53-D61 PolarHBondContact N-O 3.17Å; V53-Q63 HydrophobicContact CG2-CB 3.43Å; V53-Q63 VanDerWaalsContact CG2-CB 3.43Å; V53-R110 VanDerWaalsContact O-CD 3.27Å; V53-R110 WeakPolarHBondContact O-CD 3.46Å; V53-R110 WeakPolarHBondContact O-CG 3.45Å; V53-R110 PolarHBondContact O-NE 3.09Å
54	A	94.1	Very high	84.7	Confident	22 Å²	22	43.1 Å²	43.1	18%	0.182	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.6	-178.6	0	0	0	0	0	111.5	D61	A54-D61 HydrophobicContact CB-CB 4.23Å; A54-D61 PolarHBondContact N-O 3.25Å; A54-D61 PolarHBondContact O-N 3.45Å
55	V	93.9	Very high	87.1	Confident	53 Å²	53	42.8 Å²	42.8	32%	0.321	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	119.1	175.5	-178.3	0	0	0	0	106.7	V52 V60 L108	V52-V55 HydrophobicContact CG1-CG2 3.68Å; V55-V60 HydrophobicContact CG1-CG2 4.38Å; V55-V60 HydrophobicContact CG2-CG1 4.36Å; V55-L108 HydrophobicContact CG2-CB 3.99Å; V55-L108 HydrophobicContact CG2-CD1 4.34Å
56	I	90.8	Very high	89.1	Confident	89 Å²	89	44.8 Å²	44.8	46%	0.456	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	89.4	-177.7	-54.8	172.7	0	0	0	107.5	A58 V59	I56-A58 PolarHBondContact O-N 3.48Å; I56-V59 PolarHBondContact N-O 3.14Å; I56-V59 PolarHBondContact O-N 2.89Å
57	G	88.8	Confident	90.7	Very high	50 Å²	50	46.6 Å²	46.6	52%	0.515	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.4	-123.1	-173.4	0	0	0	0	0	110.7	V59 T105	G57-V59 VanDerWaalsContact C-N 3.29Å; G57-V59 PolarHBondContact O-N 3.13Å; G57-T105 WeakPolarHBondContact O-CB 3.29Å; G57-T105 WeakPolarHBondContact O-CG2 3.34Å; G57-T105 PolarHBondContact O-OG1 3.22Å
58	A	91.3	Very high	91.9	Very high	10 Å²	10	46.6 Å²	46.6	8%	0.083	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-3.5	177.7	0	0	0	0	0	114.4	I56 A101 P264 P265 L310	I56-A58 PolarHBondContact O-N 3.48Å; A58-A101 WeakPolarHBondContact O-CB 3.45Å; A58-A101 PolarHBondContact O-N 2.84Å; A58-P264 HydrophobicContact CB-CB 4.13Å; A58-P265 HydrophobicContact CB-CG 4.22Å; A58-L310 HydrophobicContact CB-CD1 3.95Å
59	V	94.5	Very high	92.3	Very high	2 Å²	2	46 Å²	46	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.5	178.9	170.8	0	0	0	0	110.1	I56 G57 R98 T99 L310 L311	I56-V59 PolarHBondContact N-O 3.14Å; I56-V59 PolarHBondContact O-N 2.89Å; G57-V59 VanDerWaalsContact C-N 3.29Å; G57-V59 PolarHBondContact O-N 3.13Å; V59-R98 VanDerWaalsContact CG1-CD 3.49Å; V59-R98 HydrophobicContact CG1-CG 3.47Å; V59-R98 VanDerWaalsContact CG1-CG 3.47Å; V59-T99 VanDerWaalsContact CA-O 3.31Å; V59-T99 WeakPolarHBondContact CA-O 3.43Å; V59-L310 HydrophobicContact CG2-CB 3.58Å; V59-L310 HydrophobicContact CG2-CD1 4.48Å; V59-L311 HydrophobicContact CG2-CD2 4.28Å
60	V	95.6	Very high	92.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	122.6	179.7	-176.4	0	0	0	0	109	V52 V55 V62 L86 T99 T105 L108	V52-V60 HydrophobicContact CG1-CG1 3.82Å; V52-V60 HydrophobicContact CG2-CG1 4.06Å; V55-V60 HydrophobicContact CG1-CG2 4.38Å; V55-V60 HydrophobicContact CG2-CG1 4.36Å; V60-V62 HydrophobicContact CG1-CG2 4.04Å; V60-L86 HydrophobicContact CB-CD1 4.06Å; V60-L86 HydrophobicContact CB-CD2 4.28Å; V60-L86 HydrophobicContact CG1-CD1 3.97Å; V60-L86 HydrophobicContact CG2-CD2 4.02Å; V60-T99 PolarHBondContact N-O 2.92Å; V60-T99 WeakPolarHBondContact O-CB 3.21Å; V60-T99 PolarHBondContact O-N 3.45Å; V60-T99 PolarHBondContact O-OG1 3.44Å; V60-T105 HydrophobicContact CG2-CG2 3.86Å; V60-L108 HydrophobicContact CG2-CD1 3.85Å
61	D	96.4	Very high	92.5	Very high	16 Å²	16	50.6 Å²	50.6	9%	0.086	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.1	174.7	-68.2	-17.8	0	0	0	108.7	V53 A54 L92 T96 V97 R98	V53-D61 PolarHBondContact N-O 3.17Å; A54-D61 HydrophobicContact CB-CB 4.23Å; A54-D61 PolarHBondContact N-O 3.25Å; A54-D61 PolarHBondContact O-N 3.45Å; D61-L92 HydrophobicContact CB-CD1 4.44Å; D61-T96 HydrophobicContact CB-CG2 4.31Å; D61-V97 CarbonylContact C-O 3.56Å; D61-V97 WeakPolarHBondContact CA-O 3.45Å; D61-R98 WeakPolarHBondContact OD1-CA 3.28Å; D61-R98 VanDerWaalsContact OD1-CB 3.3Å; D61-R98 WeakPolarHBondContact OD1-CB 3.4Å; D61-R98 VanDerWaalsContact OD1-CG 3.29Å; D61-R98 WeakPolarHBondContact OD1-CG 3.24Å; D61-R98 IonicContact OD1-CZ 2.72Å; D61-R98 IonicContact OD1-NE 2.98Å; D61-R98 PolarHBondContact OD1-NE 2.65Å; D61-R98 IonicContact OD1-NH2 3.69Å; D61-R98 IonicContact OD2-CZ 3.23Å; D61-R98 IonicContact OD2-NE 3.95Å; D61-R98 IonicContact OD2-NH2 3.79Å; D61-R98 PolarHBondContact OD2-NH2 2.81Å
62	V	96.4	Very high	92.5	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.1	-175.4	-177.7	0	0	0	0	109	R51 V60 F64 L75 L86 T96 V97 T99 C114	R51-V62 WeakPolarHBondContact O-CA 3.47Å; V60-V62 HydrophobicContact CG1-CG2 4.04Å; V62-F64 HydrophobicContact CB-CE2 4.24Å; V62-F64 HydrophobicContact CG1-CD2 4.3Å; V62-F64 HydrophobicContact CG1-CE2 3.68Å; V62-F64 HydrophobicContact CG1-CZ 4.07Å; V62-L75 HydrophobicContact CB-CD1 4.29Å; V62-L75 HydrophobicContact CG1-CD1 4.27Å; V62-L75 HydrophobicContact CG2-CD1 4.27Å; V62-L86 HydrophobicContact CG2-CD1 4.08Å; V62-T96 WeakPolarHBondContact O-CA 3.46Å; V62-V97 HydrophobicContact CB-CG2 4.06Å; V62-V97 PolarHBondContact N-O 2.87Å; V62-V97 PolarHBondContact O-N 3.4Å; V62-T99 HydrophobicContact CG2-CG2 4.38Å; V62-C114 HydrophobicContact CG1-CB 3.92Å
63	Q	95.7	Very high	92.4	Very high	79 Å²	79	48.6 Å²	48.6	37%	0.369	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	132.8	177.2	-178.9	173.9	42.1	0	0	110.7	G50 R51 V53 E94	G50-Q63 CarbonylContact C-O 3.44Å; G50-Q63 WeakPolarHBondContact CA-O 3.37Å; R51-Q63 PolarHBondContact N-O 3.46Å; R51-Q63 PolarHBondContact O-N 3.07Å; V53-Q63 HydrophobicContact CG2-CB 3.43Å; V53-Q63 VanDerWaalsContact CG2-CB 3.43Å; Q63-E94 PolarHBondContact NE2-O 3.11Å
64	F	94.2	Very high	92.4	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.013	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	144.3	176.6	-71.6	-96.2	0	0	0	110.4	S48 V62 L68 P69 L75 N95 V97	S48-F64 WeakPolarHBondContact O-CE1 3.34Å; V62-F64 HydrophobicContact CB-CE2 4.24Å; V62-F64 HydrophobicContact CG1-CD2 4.3Å; V62-F64 HydrophobicContact CG1-CE2 3.68Å; V62-F64 HydrophobicContact CG1-CZ 4.07Å; F64-L68 HydrophobicContact CB-CD1 4.47Å; F64-L68 HydrophobicContact CD2-CD1 4.18Å; F64-P69 HydrophobicContact CD1-CG 4.21Å; F64-P69 HydrophobicContact CE1-CG 3.7Å; F64-P69 HydrophobicContact CE2-CG 4.15Å; F64-P69 HydrophobicContact CZ-CG 3.67Å; F64-L75 HydrophobicContact CE2-CD1 3.97Å; F64-L75 HydrophobicContact CZ-CD1 3.7Å; F64-L75 HydrophobicContact CZ-CD2 3.75Å; F64-L75 HydrophobicContact CZ-CG 4.39Å; F64-N95 PolarHBondContact N-O 3.37Å; F64-N95 WeakPolarHBondContact O-CB 3.26Å; F64-V97 HydrophobicContact CD2-CG2 4.31Å; F64-V97 HydrophobicContact CE2-CG1 4.49Å; F64-V97 HydrophobicContact CE2-CG2 3.73Å
65	D	86.9	Confident	92.5	Very high	85 Å²	85	44.8 Å²	44.8	46%	0.455	25%	0.254	S	S	.	.	S	Bend	trans	-72.9	-47.8	177.3	-67.5	-36.1	0	0	0	109.9	R51 N95	R51-D65 IonicContact CZ-OD2 2.79Å; R51-D65 IonicContact NE-OD2 3.67Å; R51-D65 IonicContact NH2-OD1 3.18Å; R51-D65 IonicContact NH2-OD2 3.51Å; R51-D65 PolarHBondContact NH2-OD2 2.87Å; D65-N95 PolarHBondContact O-ND2 3.02Å
66	D	84.4	Confident	92.5	Very high	121 Å²	121	44.1 Å²	44.1	65%	0.647	25%	0.247	S	C	*	.	S	Bend	trans	-148.4	165.3	174.4	-75	-53.8	0	0	0	110.5
67	N	85	Confident	92.7	Very high	125 Å²	125	40.1 Å²	40.1	67%	0.668	23%	0.227	S	C	*	.	S	Bend	trans	56.4	78.4	179.1	-62.5	-48.1	0	0	0	113.8	S48 P69	S48-N67 WeakPolarHBondContact CB-O 3.24Å; N67-P69 WeakPolarHBondContact O-CD 3.42Å
68	L	89.5	Confident	92.9	Very high	58 Å²	58	41.9 Å²	41.9	30%	0.304	22%	0.221	S	C	.	.	P	Polyproline II helix	trans	-64.4	121.5	178.5	-164	67.7	0	0	0	111.5	F64 H91 N95 V97	F64-L68 HydrophobicContact CB-CD1 4.47Å; F64-L68 HydrophobicContact CD2-CD1 4.18Å; L68-H91 HydrophobicContact CD2-CB 4.21Å; L68-H91 WeakPolarHBondContact CD2-ND1 3.38Å; L68-N95 HydrophobicContact CD1-CB 4.43Å; L68-N95 WeakPolarHBondContact CD1-O 2.83Å; L68-V97 HydrophobicContact CD1-CG1 3.37Å; L68-V97 HydrophobicContact CD2-CG1 4.42Å; L68-V97 HydrophobicContact CG-CG1 3.92Å
69	P	92.8	Very high	92.6	Very high	3 Å²	3	45.7 Å²	45.7	2%	0.019	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-66.8	149.1	177.6	-21	33.1	0	0	0	112.2	F64 N67 N73 L75 I88 H91 D116	F64-P69 HydrophobicContact CD1-CG 4.21Å; F64-P69 HydrophobicContact CE1-CG 3.7Å; F64-P69 HydrophobicContact CE2-CG 4.15Å; F64-P69 HydrophobicContact CZ-CG 3.67Å; N67-P69 WeakPolarHBondContact O-CD 3.42Å; P69-N73 HydrophobicContact CB-CB 4.39Å; P69-L75 HydrophobicContact CG-CD2 4.3Å; P69-I88 HydrophobicContact CB-CD1 3.61Å; P69-I88 HydrophobicContact CG-CD1 4.25Å; P69-H91 PolarHBondContact O-CE1 3.1Å; P69-H91 PolarHBondContact O-NE2 3.34Å; P69-D116 HydrophobicContact CB-CB 4.39Å; P69-D116 HydrophobicContact CG-CB 3.89Å
70	P	93.2	Very high	92.1	Very high	72 Å²	72	47.8 Å²	47.8	47%	0.468	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-66.7	164.1	178.6	28	-34.5	0	0	0	112.7	N73	P70-N73 HydrophobicContact CG-CB 4.44Å; P70-N73 WeakPolarHBondContact O-CB 3.32Å; P70-N73 PolarHBondContact O-N 3.42Å
71	I	93.5	Very high	91.6	Very high	89 Å²	89	54.3 Å²	54.3	46%	0.456	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	147.7	173.5	-57.1	174.8	0	0	0	109.1	N73	I71-N73 PolarHBondContact O-N 3.19Å
72	L	94	Very high	91.2	Very high	67 Å²	67	57 Å²	57	35%	0.351	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	-5.9	-174.2	-50.5	177.7	0	0	0	115.8	I88 P120 H156	L72-I88 PolarHBondContact N-O 3.07Å; L72-P120 VanDerWaalsContact O-CA 3.31Å; L72-P120 WeakPolarHBondContact O-CA 3.47Å; L72-H156 HydrophobicContact CD1-CB 4.29Å
73	N	94.7	Very high	90.9	Very high	15 Å²	15	62 Å²	62	8%	0.08	35%	0.345	C	S	.	.			trans	-66.2	146.5	172.1	-90.5	24.9	0	0	0	111.7	P69 P70 I71 I88 D116 G119	P69-N73 HydrophobicContact CB-CB 4.39Å; P70-N73 HydrophobicContact CG-CB 4.44Å; P70-N73 WeakPolarHBondContact O-CB 3.32Å; P70-N73 PolarHBondContact O-N 3.42Å; I71-N73 PolarHBondContact O-N 3.19Å; N73-I88 HydrophobicContact CB-CD1 4.13Å; N73-I88 PolarHBondContact O-N 3.35Å; N73-D116 PolarHBondContact ND2-OD1 3.18Å; N73-D116 PolarHBondContact ND2-OD2 3.34Å; N73-G119 WeakPolarHBondContact CA-O 3.38Å; N73-G119 PolarHBondContact ND2-N 2.92Å; N73-G119 WeakPolarHBondContact OD1-CA 3.29Å
74	A	95.4	Very high	90.8	Very high	3 Å²	3	58.2 Å²	58.2	3%	0.025	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.8	175	0	0	0	0	0	110.7	I85 L86 T117 G119 I121	A74-I85 HydrophobicContact CB-CG2 3.79Å; A74-L86 CarbonylContact C-O 3.4Å; A74-L86 WeakPolarHBondContact CA-O 3.33Å; A74-T117 HydrophobicContact CB-CG2 4.38Å; A74-T117 WeakPolarHBondContact CB-OG1 3.43Å; A74-T117 WeakPolarHBondContact O-CB 3.42Å; A74-T117 WeakPolarHBondContact O-CG2 3.28Å; A74-T117 PolarHBondContact O-N 3.08Å; A74-T117 PolarHBondContact O-OG1 2.89Å; A74-G119 PolarHBondContact N-O 3.36Å; A74-I121 HydrophobicContact CB-CG1 3.78Å
75	L	95.3	Very high	90.9	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	134.4	171.4	-52	-177.7	0	0	0	109.5	V62 F64 P69 I85 L86 I88 V97 T99 C114 V115 D116	V62-L75 HydrophobicContact CB-CD1 4.29Å; V62-L75 HydrophobicContact CG1-CD1 4.27Å; V62-L75 HydrophobicContact CG2-CD1 4.27Å; F64-L75 HydrophobicContact CE2-CD1 3.97Å; F64-L75 HydrophobicContact CZ-CD1 3.7Å; F64-L75 HydrophobicContact CZ-CD2 3.75Å; F64-L75 HydrophobicContact CZ-CG 4.39Å; P69-L75 HydrophobicContact CG-CD2 4.3Å; L75-I85 CarbonylContact O-C 3.55Å; L75-I85 WeakPolarHBondContact O-CA 3.41Å; L75-L86 HydrophobicContact CB-CB 4.26Å; L75-L86 PolarHBondContact N-O 2.71Å; L75-L86 PolarHBondContact O-N 3.23Å; L75-I88 HydrophobicContact CD1-CD1 4.17Å; L75-I88 HydrophobicContact CD1-CG1 4.05Å; L75-I88 HydrophobicContact CD2-CD1 3.92Å; L75-I88 HydrophobicContact CD2-CG1 4.48Å; L75-I88 HydrophobicContact CG-CD1 4.03Å; L75-I88 HydrophobicContact CG-CG1 4.04Å; L75-V97 HydrophobicContact CD1-CG2 4.27Å; L75-T99 HydrophobicContact CD1-CG2 3.87Å; L75-C114 HydrophobicContact CB-CB 4.45Å; L75-V115 CarbonylContact C-O 3.54Å; L75-V115 WeakPolarHBondContact CA-O 3.48Å; L75-D116 HydrophobicContact CD2-CB 3.81Å
76	E	95.2	Very high	91.4	Very high	39 Å²	39	54.4 Å²	54.4	18%	0.182	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.9	174	-171.8	179.4	113.2	0	0	110.7	K78 R83 I85 C114 V115 T117	E76-K78 IonicContact OE1-NZ 2.95Å; E76-K78 PolarHBondContact OE1-NZ 2.92Å; E76-R83 HydrophobicContact CG-CG 4.39Å; E76-R83 IonicContact OE2-CZ 3.73Å; E76-R83 IonicContact OE2-NE 3.39Å; E76-R83 PolarHBondContact OE2-NE 3.27Å; E76-R83 IonicContact OE2-NH2 2.73Å; E76-R83 PolarHBondContact OE2-NH2 3.29Å; E76-I85 HydrophobicContact CB-CD1 3.94Å; E76-I85 HydrophobicContact CG-CD1 3.96Å; E76-C114 CarbonylContact O-C 3.2Å; E76-C114 WeakPolarHBondContact O-CA 3.31Å; E76-V115 PolarHBondContact N-O 2.99Å; E76-V115 PolarHBondContact O-N 2.98Å; E76-T117 HydrophobicContact CB-CG2 4.33Å
77	V	94.1	Very high	91.9	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	124.4	174.5	-172.4	0	0	0	0	110.2	L84 L86 L108 Q112	V77-L84 HydrophobicContact CB-CB 4.29Å; V77-L84 HydrophobicContact CG2-CB 4.22Å; V77-L84 HydrophobicContact CG2-CD2 3.87Å; V77-L84 HydrophobicContact CG2-CG 4.18Å; V77-L84 PolarHBondContact N-O 3.5Å; V77-L86 HydrophobicContact CG2-CD1 3.7Å; V77-L86 HydrophobicContact CG2-CD2 4.46Å; V77-L86 HydrophobicContact CG2-CG 3.9Å; V77-L108 HydrophobicContact CG1-CD2 3.84Å; V77-Q112 VanDerWaalsContact CG1-CD 3.48Å; V77-Q112 HydrophobicContact CG1-CG 3.8Å; V77-Q112 VanDerWaalsContact CG1-NE2 3.31Å
78	K	92.3	Very high	92.5	Very high	88 Å²	88	42.8 Å²	42.8	38%	0.383	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	151.3	-180	-64.2	-65.2	176.9	-168	0	112.1	E76 Q112 Q113 V115	E76-K78 IonicContact OE1-NZ 2.95Å; E76-K78 PolarHBondContact OE1-NZ 2.92Å; K78-Q112 PolarHBondContact O-NE2 2.92Å; K78-Q113 PolarHBondContact N-O 3.46Å; K78-V115 HydrophobicContact CD-CG2 4.16Å; K78-V115 VanDerWaalsContact CE-CG2 3.43Å; K78-V115 HydrophobicContact CG-CG2 3.62Å
79	G	85.1	Confident	92.7	Very high	89 Å²	89	40.9 Å²	40.9	92%	0.918	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.5	20.4	172.3	0	0	0	0	0	115.3
80	R	84.6	Confident	92.7	Very high	46 Å²	46	43.1 Å²	43.1	17%	0.174	25%	0.248	C	C	.	.			trans	-123.3	151.4	178.4	-177.9	177.5	167.8	-176.3	-10.4	111.6	G104 E106	R80-G104 PolarHBondContact NH1-O 3.26Å; R80-G104 PolarHBondContact NH2-O 2.93Å; R80-E106 PolarHBondContact NH1-O 3.37Å
81	T	84.6	Confident	92.8	Very high	138 Å²	138	43.6 Å²	43.6	85%	0.847	24%	0.244	S	C	*	.	S	Bend	trans	-134	133.5	165.2	-53.8	0	0	0	0	108
82	P	87.9	Confident	92.7	Very high	71 Å²	71	42.9 Å²	42.9	46%	0.461	24%	0.241	S	C	.	.	S	Bend	cis	-64.7	167.5	-4	30.4	-36.2	0	0	0	112.7	L84	P82-L84 PolarHBondContact O-N 2.9Å
83	R	91.3	Very high	92.5	Very high	105 Å²	105	41.6 Å²	41.6	40%	0.396	24%	0.243	S	C	.	.			trans	-65.8	127.8	-179.8	-174.8	-170	-176.8	-158.5	-3.8	109.3	E76 E139	E76-R83 HydrophobicContact CG-CG 4.39Å; E76-R83 IonicContact OE2-CZ 3.73Å; E76-R83 IonicContact OE2-NE 3.39Å; E76-R83 PolarHBondContact OE2-NE 3.27Å; E76-R83 IonicContact OE2-NH2 2.73Å; E76-R83 PolarHBondContact OE2-NH2 3.29Å; R83-E139 WeakPolarHBondContact CD-OE1 3.32Å; R83-E139 IonicContact CZ-OE1 3.8Å; R83-E139 IonicContact NE-OE1 2.86Å; R83-E139 IonicContact NH1-OE1 3.7Å; R83-E139 PolarHBondContact NH1-OE1 3.42Å
84	L	93.7	Very high	92.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.278	C	S	.	.			trans	-109.6	125.1	177.3	-177.5	68.5	0	0	0	111	V77 P82 L86 A101 D103 L108	V77-L84 HydrophobicContact CB-CB 4.29Å; V77-L84 HydrophobicContact CG2-CB 4.22Å; V77-L84 HydrophobicContact CG2-CD2 3.87Å; V77-L84 HydrophobicContact CG2-CG 4.18Å; V77-L84 PolarHBondContact N-O 3.5Å; P82-L84 PolarHBondContact O-N 2.9Å; L84-L86 HydrophobicContact CD1-CD2 4.48Å; L84-L86 HydrophobicContact CD2-CD2 3.72Å; L84-L86 HydrophobicContact CG-CD2 3.96Å; L84-A101 HydrophobicContact CD1-CB 4.25Å; L84-D103 HydrophobicContact CD1-CB 3.66Å; L84-D103 WeakPolarHBondContact CD1-O 3.42Å; L84-L108 HydrophobicContact CD2-CD1 3.73Å; L84-L108 HydrophobicContact CD2-CD2 3.99Å; L84-L108 HydrophobicContact CD2-CG 4.23Å
85	I	95.7	Very high	92.1	Very high	9 Å²	9	52.2 Å²	52.2	5%	0.046	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	134.8	169.9	-57.4	-59.5	0	0	0	109.4	A74 L75 E76 M102 I121 I137	A74-I85 HydrophobicContact CB-CG2 3.79Å; L75-I85 CarbonylContact O-C 3.55Å; L75-I85 WeakPolarHBondContact O-CA 3.41Å; E76-I85 HydrophobicContact CB-CD1 3.94Å; E76-I85 HydrophobicContact CG-CD1 3.96Å; I85-M102 HydrophobicContact CB-CG 4.46Å; I85-M102 WeakPolarHBondContact O-CB 3.21Å; I85-M102 WeakPolarHBondContact O-CG 3.46Å; I85-M102 PolarHBondContact O-N 3.36Å; I85-I121 HydrophobicContact CG2-CD1 4.22Å; I85-I121 HydrophobicContact CG2-CG1 3.99Å; I85-I137 HydrophobicContact CB-CG2 3.99Å; I85-I137 HydrophobicContact CG1-CD1 4.17Å; I85-I137 HydrophobicContact CG1-CG2 3.99Å; I85-I137 HydrophobicContact CG2-CG2 4.49Å
86	L	96.3	Very high	92.1	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	133.2	173.9	-50.2	174.8	0	0	0	108.6	V60 V62 A74 L75 V77 L84 T99 I100 A101	V60-L86 HydrophobicContact CB-CD1 4.06Å; V60-L86 HydrophobicContact CB-CD2 4.28Å; V60-L86 HydrophobicContact CG1-CD1 3.97Å; V60-L86 HydrophobicContact CG2-CD2 4.02Å; V62-L86 HydrophobicContact CG2-CD1 4.08Å; A74-L86 CarbonylContact C-O 3.4Å; A74-L86 WeakPolarHBondContact CA-O 3.33Å; L75-L86 HydrophobicContact CB-CB 4.26Å; L75-L86 PolarHBondContact N-O 2.71Å; L75-L86 PolarHBondContact O-N 3.23Å; V77-L86 HydrophobicContact CG2-CD1 3.7Å; V77-L86 HydrophobicContact CG2-CD2 4.46Å; V77-L86 HydrophobicContact CG2-CG 3.9Å; L84-L86 HydrophobicContact CD1-CD2 4.48Å; L84-L86 HydrophobicContact CD2-CD2 3.72Å; L84-L86 HydrophobicContact CG-CD2 3.96Å; L86-T99 HydrophobicContact CB-CG2 4.34Å; L86-T99 WeakPolarHBondContact CB-OG1 3.39Å; L86-I100 CarbonylContact C-O 3.54Å; L86-I100 WeakPolarHBondContact CA-O 3.49Å; L86-A101 HydrophobicContact CD2-CB 3.65Å
87	E	96.4	Very high	92.1	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	131.2	173.7	-178.4	-174.3	89.8	0	0	110.2	A89 T99 I100 M102 I121 H156 R270	E87-A89 PolarHBondContact O-N 3.44Å; E87-T99 CarbonylContact O-C 3.58Å; E87-T99 WeakPolarHBondContact O-CA 3.48Å; E87-T99 VanDerWaalsContact O-CB 3.26Å; E87-T99 WeakPolarHBondContact O-CB 3.12Å; E87-I100 PolarHBondContact N-O 3.4Å; E87-I100 PolarHBondContact O-N 2.99Å; E87-M102 HydrophobicContact CB-CE 3.67Å; E87-I121 HydrophobicContact CB-CD1 4.36Å; E87-H156 IonicContact OE1-NE2 3.81Å; E87-H156 IonicContact OE2-CD2 2.74Å; E87-H156 IonicContact OE2-CE1 3.91Å; E87-H156 IonicContact OE2-NE2 3.01Å; E87-H156 PolarHBondContact OE2-NE2 3.31Å; E87-R270 IonicContact OE1-CZ 3.48Å; E87-R270 IonicContact OE1-NE 2.69Å; E87-R270 PolarHBondContact OE1-NE 3.18Å; E87-R270 IonicContact OE1-NH2 3.61Å; E87-R270 PolarHBondContact OE1-NH2 3.02Å; E87-R270 IonicContact OE2-NE 3.33Å; E87-R270 PolarHBondContact OE2-NE 3.01Å; E87-R270 VanDerWaalsContact OE2-NE 3.15Å
88	I	96.2	Very high	92.2	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	119.7	177	-64.2	168.1	0	0	0	110.5	P69 L72 N73 L75 V97 T99	P69-I88 HydrophobicContact CB-CD1 3.61Å; P69-I88 HydrophobicContact CG-CD1 4.25Å; L72-I88 PolarHBondContact N-O 3.07Å; N73-I88 HydrophobicContact CB-CD1 4.13Å; N73-I88 PolarHBondContact O-N 3.35Å; L75-I88 HydrophobicContact CD1-CD1 4.17Å; L75-I88 HydrophobicContact CD1-CG1 4.05Å; L75-I88 HydrophobicContact CD2-CD1 3.92Å; L75-I88 HydrophobicContact CD2-CG1 4.48Å; L75-I88 HydrophobicContact CG-CD1 4.03Å; L75-I88 HydrophobicContact CG-CG1 4.04Å; I88-V97 HydrophobicContact CD1-CG2 4.3Å; I88-V97 HydrophobicContact CG1-CB 4.45Å; I88-V97 HydrophobicContact CG1-CG2 4.07Å; I88-V97 HydrophobicContact CG2-CB 4.06Å; I88-V97 HydrophobicContact CG2-CG1 4.33Å; I88-T99 HydrophobicContact CB-CG2 4.49Å; I88-T99 HydrophobicContact CG1-CG2 3.82Å
89	A	94	Very high	92.4	Very high	18 Å²	18	48.9 Å²	48.9	15%	0.149	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	-36.6	179.8	0	0	0	0	0	113.1	E87 R98 I100 L311	E87-A89 PolarHBondContact O-N 3.44Å; A89-R98 PolarHBondContact N-O 2.92Å; A89-I100 HydrophobicContact CB-CD1 3.76Å; A89-I100 HydrophobicContact CB-CG1 4.02Å; A89-L311 HydrophobicContact CB-CD1 4.18Å; A89-L311 HydrophobicContact CB-CD2 3.91Å
90	Q	93.5	Very high	92.9	Very high	51 Å²	51	44.8 Å²	44.8	24%	0.238	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	158.8	179.8	62	-177	22.9	0	0	112.3	L92 V97 R98	Q90-L92 HydrophobicContact CG-CD2 4.26Å; Q90-L92 VanDerWaalsContact NE2-CD2 3.34Å; Q90-V97 WeakPolarHBondContact O-CA 3.45Å; Q90-R98 HydrophobicContact CG-CB 3.59Å; Q90-R98 HydrophobicContact CG-CG 4.24Å; Q90-R98 PolarHBondContact N-O 2.86Å; Q90-R98 PolarHBondContact O-N 3.35Å
91	H	94.4	Very high	93.4	Very high	82 Å²	82	42.6 Å²	42.6	38%	0.38	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	128.3	170.1	-62.8	170.9	0	0	0	109.5	L68 P69	L68-H91 HydrophobicContact CD2-CB 4.21Å; L68-H91 WeakPolarHBondContact CD2-ND1 3.38Å; P69-H91 PolarHBondContact O-CE1 3.1Å; P69-H91 PolarHBondContact O-NE2 3.34Å
92	L	91.1	Very high	93.9	Very high	74 Å²	74	36.4 Å²	36.4	39%	0.387	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	-19.6	-178.6	-63.9	-179.4	0	0	0	113.1	D61 Q90 T96 R98	D61-L92 HydrophobicContact CB-CD1 4.44Å; Q90-L92 HydrophobicContact CG-CD2 4.26Å; Q90-L92 VanDerWaalsContact NE2-CD2 3.34Å; L92-T96 HydrophobicContact CD1-CG2 4.05Å; L92-T96 PolarHBondContact N-O 3.2Å; L92-R98 HydrophobicContact CD1-CB 4.11Å; L92-R98 HydrophobicContact CD2-CB 4.18Å; L92-R98 HydrophobicContact CG-CB 4.05Å
93	G	90.7	Very high	94.2	Very high	39 Å²	39	36 Å²	36	40%	0.402	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	104	172.2	-168.5	0	0	0	0	0	111.8	N95 T96	G93-N95 PolarHBondContact O-N 3.44Å; G93-N95 VanDerWaalsContact O-N 3.17Å; G93-T96 WeakPolarHBondContact O-CA 3.43Å; G93-T96 VanDerWaalsContact O-CB 3.3Å; G93-T96 WeakPolarHBondContact O-CB 3.38Å; G93-T96 PolarHBondContact O-N 3.44Å
94	E	89.6	Confident	94.2	Very high	174 Å²	174	31.6 Å²	31.6	81%	0.813	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.9	39.1	-179.2	-56.5	-176.5	173.2	0	0	113.6	Q63 T96	Q63-E94 PolarHBondContact NE2-O 3.11Å; E94-T96 PolarHBondContact O-N 2.89Å; E94-T96 VanDerWaalsContact O-N 3.09Å; E94-T96 PolarHBondContact O-OG1 3.44Å
95	N	92.5	Very high	94.1	Very high	68 Å²	68	32.6 Å²	32.6	36%	0.364	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	23.7	-173	-61.5	-17.8	0	0	0	114.5	F64 D65 L68 G93	F64-N95 PolarHBondContact N-O 3.37Å; F64-N95 WeakPolarHBondContact O-CB 3.26Å; D65-N95 PolarHBondContact O-ND2 3.02Å; L68-N95 HydrophobicContact CD1-CB 4.43Å; L68-N95 WeakPolarHBondContact CD1-O 2.83Å; G93-N95 PolarHBondContact O-N 3.44Å; G93-N95 VanDerWaalsContact O-N 3.17Å
96	T	94.6	Very high	93.9	Very high	16 Å²	16	39.1 Å²	39.1	10%	0.098	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.1	177.1	-53.9	0	0	0	0	110.4	D61 V62 L92 G93 E94	D61-T96 HydrophobicContact CB-CG2 4.31Å; V62-T96 WeakPolarHBondContact O-CA 3.46Å; L92-T96 HydrophobicContact CD1-CG2 4.05Å; L92-T96 PolarHBondContact N-O 3.2Å; G93-T96 WeakPolarHBondContact O-CA 3.43Å; G93-T96 VanDerWaalsContact O-CB 3.3Å; G93-T96 WeakPolarHBondContact O-CB 3.38Å; G93-T96 PolarHBondContact O-N 3.44Å; E94-T96 PolarHBondContact O-N 2.89Å; E94-T96 VanDerWaalsContact O-N 3.09Å; E94-T96 PolarHBondContact O-OG1 3.44Å
97	V	95.8	Very high	93.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	148.1	172.7	-55	0	0	0	0	109.9	D61 V62 F64 L68 L75 I88 Q90 T99	D61-V97 CarbonylContact C-O 3.56Å; D61-V97 WeakPolarHBondContact CA-O 3.45Å; V62-V97 HydrophobicContact CB-CG2 4.06Å; V62-V97 PolarHBondContact N-O 2.87Å; V62-V97 PolarHBondContact O-N 3.4Å; F64-V97 HydrophobicContact CD2-CG2 4.31Å; F64-V97 HydrophobicContact CE2-CG1 4.49Å; F64-V97 HydrophobicContact CE2-CG2 3.73Å; L68-V97 HydrophobicContact CD1-CG1 3.37Å; L68-V97 HydrophobicContact CD2-CG1 4.42Å; L68-V97 HydrophobicContact CG-CG1 3.92Å; L75-V97 HydrophobicContact CD1-CG2 4.27Å; I88-V97 HydrophobicContact CD1-CG2 4.3Å; I88-V97 HydrophobicContact CG1-CB 4.45Å; I88-V97 HydrophobicContact CG1-CG2 4.07Å; I88-V97 HydrophobicContact CG2-CB 4.06Å; I88-V97 HydrophobicContact CG2-CG1 4.33Å; Q90-V97 WeakPolarHBondContact O-CA 3.45Å; V97-T99 HydrophobicContact CG2-CG2 3.77Å
98	R	96	Very high	93.4	Very high	45 Å²	45	43.5 Å²	43.5	17%	0.17	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	129.6	168.3	176.5	161.2	-64.9	170.6	-0.9	109.2	V59 D61 A89 Q90 L92 L311	V59-R98 VanDerWaalsContact CG1-CD 3.49Å; V59-R98 HydrophobicContact CG1-CG 3.47Å; V59-R98 VanDerWaalsContact CG1-CG 3.47Å; D61-R98 WeakPolarHBondContact OD1-CA 3.28Å; D61-R98 VanDerWaalsContact OD1-CB 3.3Å; D61-R98 WeakPolarHBondContact OD1-CB 3.4Å; D61-R98 VanDerWaalsContact OD1-CG 3.29Å; D61-R98 WeakPolarHBondContact OD1-CG 3.24Å; D61-R98 IonicContact OD1-CZ 2.72Å; D61-R98 IonicContact OD1-NE 2.98Å; D61-R98 PolarHBondContact OD1-NE 2.65Å; D61-R98 IonicContact OD1-NH2 3.69Å; D61-R98 IonicContact OD2-CZ 3.23Å; D61-R98 IonicContact OD2-NE 3.95Å; D61-R98 IonicContact OD2-NH2 3.79Å; D61-R98 PolarHBondContact OD2-NH2 2.81Å; A89-R98 PolarHBondContact N-O 2.92Å; Q90-R98 HydrophobicContact CG-CB 3.59Å; Q90-R98 HydrophobicContact CG-CG 4.24Å; Q90-R98 PolarHBondContact N-O 2.86Å; Q90-R98 PolarHBondContact O-N 3.35Å; L92-R98 HydrophobicContact CD1-CB 4.11Å; L92-R98 HydrophobicContact CD2-CB 4.18Å; L92-R98 HydrophobicContact CG-CB 4.05Å; R98-L311 HydrophobicContact CG-CD2 3.78Å; R98-L311 PolarHBondContact NH1-O 3.24Å
99	T	96.4	Very high	93.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	158.8	-176.3	71.5	0	0	0	0	112	V59 V60 V62 L75 L86 E87 I88 V97	V59-T99 VanDerWaalsContact CA-O 3.31Å; V59-T99 WeakPolarHBondContact CA-O 3.43Å; V60-T99 PolarHBondContact N-O 2.92Å; V60-T99 WeakPolarHBondContact O-CB 3.21Å; V60-T99 PolarHBondContact O-N 3.45Å; V60-T99 PolarHBondContact O-OG1 3.44Å; V62-T99 HydrophobicContact CG2-CG2 4.38Å; L75-T99 HydrophobicContact CD1-CG2 3.87Å; L86-T99 HydrophobicContact CB-CG2 4.34Å; L86-T99 WeakPolarHBondContact CB-OG1 3.39Å; E87-T99 CarbonylContact O-C 3.58Å; E87-T99 WeakPolarHBondContact O-CA 3.48Å; E87-T99 VanDerWaalsContact O-CB 3.26Å; E87-T99 WeakPolarHBondContact O-CB 3.12Å; I88-T99 HydrophobicContact CB-CG2 4.49Å; I88-T99 HydrophobicContact CG1-CG2 3.82Å; V97-T99 HydrophobicContact CG2-CG2 3.77Å
100	I	95.6	Very high	93.2	Very high	4 Å²	4	56.5 Å²	56.5	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.1	174.1	-58.1	158.2	0	0	0	107.7	L86 E87 A89 M102 G266 V307 L311	L86-I100 CarbonylContact C-O 3.54Å; L86-I100 WeakPolarHBondContact CA-O 3.49Å; E87-I100 PolarHBondContact N-O 3.4Å; E87-I100 PolarHBondContact O-N 2.99Å; A89-I100 HydrophobicContact CB-CD1 3.76Å; A89-I100 HydrophobicContact CB-CG1 4.02Å; I100-M102 HydrophobicContact CB-CE 4.22Å; I100-M102 HydrophobicContact CG2-CE 4.06Å; I100-M102 WeakPolarHBondContact O-CE 3.35Å; I100-G266 VanDerWaalsContact CG2-CA 3.48Å; I100-V307 HydrophobicContact CD1-CG1 3.38Å; I100-V307 HydrophobicContact CG1-CG1 4.03Å; I100-V307 HydrophobicContact CG2-CG2 4.4Å; I100-L311 HydrophobicContact CD1-CD1 4.39Å; I100-L311 HydrophobicContact CG1-CD2 4.33Å
101	A	95.4	Very high	93.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	135.9	176.9	0	0	0	0	0	111.6	A58 L84 L86 D103 T105	A58-A101 WeakPolarHBondContact O-CB 3.45Å; A58-A101 PolarHBondContact O-N 2.84Å; L84-A101 HydrophobicContact CD1-CB 4.25Å; L86-A101 HydrophobicContact CD2-CB 3.65Å; A101-D103 WeakPolarHBondContact CB-O 3.35Å; A101-T105 HydrophobicContact CB-CG2 3.39Å
102	M	94.7	Very high	93	Very high	8 Å²	8	54 Å²	54	4%	0.039	30%	0.303	C	S	.	.	S	Bend	trans	-87.8	-9.1	175.8	-60.8	-61.1	123	0	0	113.3	I85 E87 I100 I121 V136 I137 A267 R270	I85-M102 HydrophobicContact CB-CG 4.46Å; I85-M102 WeakPolarHBondContact O-CB 3.21Å; I85-M102 WeakPolarHBondContact O-CG 3.46Å; I85-M102 PolarHBondContact O-N 3.36Å; E87-M102 HydrophobicContact CB-CE 3.67Å; I100-M102 HydrophobicContact CB-CE 4.22Å; I100-M102 HydrophobicContact CG2-CE 4.06Å; I100-M102 WeakPolarHBondContact O-CE 3.35Å; M102-I121 HydrophobicContact CE-CD1 4.36Å; M102-I121 HydrophobicContact CG-CD1 3.69Å; M102-I121 HydrophobicContact SD-CD1 3.81Å; M102-V136 HydrophobicContact CB-CG1 4.06Å; M102-V136 HydrophobicContact SD-CG2 4.36Å; M102-I137 HydrophobicContact CB-CG2 4.07Å; M102-I137 HydrophobicContact CG-CG2 4.26Å; M102-A267 WeakPolarHBondContact O-CB 3.19Å; M102-R270 HydrophobicContact CE-CG 4.25Å; M102-R270 HydrophobicContact SD-CB 4.32Å; M102-R270 HydrophobicContact SD-CG 4.07Å
103	D	93.9	Very high	93.2	Very high	61 Å²	61	55.8 Å²	55.8	33%	0.326	31%	0.309	S	S	.	.	S	Bend	trans	-143.4	172.5	175.5	-164.4	0.8	0	0	0	108.6	L84 A101	L84-D103 HydrophobicContact CD1-CB 3.66Å; L84-D103 WeakPolarHBondContact CD1-O 3.42Å; A101-D103 WeakPolarHBondContact CB-O 3.35Å
104	G	92.4	Very high	93.3	Very high	13 Å²	13	53.9 Å²	53.9	13%	0.134	29%	0.29	C	S	.	.			trans	-50.7	141.5	-177.8	0	0	0	0	0	112.4	R80 E106	R80-G104 PolarHBondContact NH1-O 3.26Å; R80-G104 PolarHBondContact NH2-O 2.93Å; G104-E106 VanDerWaalsContact C-OE2 3.22Å; G104-E106 WeakPolarHBondContact CA-OE2 3.45Å
105	T	91.8	Very high	93.6	Very high	22 Å²	22	46.9 Å²	46.9	14%	0.135	26%	0.259	C	S	.	.			trans	-95.3	6.9	-178.5	53.6	0	0	0	0	112.9	G57 V60 A101 G107 L108	G57-T105 WeakPolarHBondContact O-CB 3.29Å; G57-T105 WeakPolarHBondContact O-CG2 3.34Å; G57-T105 PolarHBondContact O-OG1 3.22Å; V60-T105 HydrophobicContact CG2-CG2 3.86Å; A101-T105 HydrophobicContact CB-CG2 3.39Å; T105-G107 PolarHBondContact O-N 3.19Å; T105-L108 HydrophobicContact CG2-CD1 4.08Å; T105-L108 WeakPolarHBondContact O-CB 3.36Å; T105-L108 WeakPolarHBondContact O-CG 3.36Å; T105-L108 PolarHBondContact O-N 2.95Å
106	E	90.5	Very high	93.6	Very high	145 Å²	145	44.8 Å²	44.8	68%	0.678	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	137.5	179.2	-58.2	82.4	-177.8	0	0	111.3	R80 G104 L108	R80-E106 PolarHBondContact NH1-O 3.37Å; G104-E106 VanDerWaalsContact C-OE2 3.22Å; G104-E106 WeakPolarHBondContact CA-OE2 3.45Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 3.47Å
107	G	90.2	Very high	93.5	Very high	71 Å²	71	47.3 Å²	47.3	73%	0.732	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	-0.5	180	0	0	0	0	0	115.2	T105	T105-G107 PolarHBondContact O-N 3.19Å
108	L	91.6	Very high	93.2	Very high	23 Å²	23	49.5 Å²	49.5	12%	0.12	29%	0.286	C	S	.	.			trans	-68	135.2	170.6	-68.6	-176.8	0	0	0	111.3	V55 V60 V77 L84 T105 E106	V55-L108 HydrophobicContact CG2-CB 3.99Å; V55-L108 HydrophobicContact CG2-CD1 4.34Å; V60-L108 HydrophobicContact CG2-CD1 3.85Å; V77-L108 HydrophobicContact CG1-CD2 3.84Å; L84-L108 HydrophobicContact CD2-CD1 3.73Å; L84-L108 HydrophobicContact CD2-CD2 3.99Å; L84-L108 HydrophobicContact CD2-CG 4.23Å; T105-L108 HydrophobicContact CG2-CD1 4.08Å; T105-L108 WeakPolarHBondContact O-CB 3.36Å; T105-L108 WeakPolarHBondContact O-CG 3.36Å; T105-L108 PolarHBondContact O-N 2.95Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 3.47Å
109	V	92.9	Very high	93	Very high	98 Å²	98	48 Å²	48	59%	0.594	29%	0.285	S	S	*	.			trans	-119.2	144.1	-180	-173.8	0	0	0	0	110.1	G111 Q112	V109-G111 PolarHBondContact O-N 3.2Å; V109-Q112 WeakPolarHBondContact O-CB 3.39Å; V109-Q112 PolarHBondContact O-N 3.4Å; V109-Q112 VanDerWaalsContact O-N 3.11Å
110	R	93.3	Very high	92.9	Very high	193 Å²	193	49.4 Å²	49.4	73%	0.728	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	137.5	173	-61.9	-176.4	-178.2	176.3	-1.6	110.4	V52 V53 Q112	V52-R110 CarbonylContact O-C 3.45Å; V52-R110 WeakPolarHBondContact O-CA 3.3Å; V53-R110 VanDerWaalsContact O-CD 3.27Å; V53-R110 WeakPolarHBondContact O-CD 3.46Å; V53-R110 WeakPolarHBondContact O-CG 3.45Å; V53-R110 PolarHBondContact O-NE 3.09Å; R110-Q112 VanDerWaalsContact C-N 3.31Å
111	G	92.2	Very high	92.8	Very high	43 Å²	43	49.5 Å²	49.5	44%	0.443	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-7	-173.9	0	0	0	0	0	114.4	V52 V109	V52-G111 PolarHBondContact O-N 2.75Å; V109-G111 PolarHBondContact O-N 3.2Å
112	Q	92.9	Very high	92.8	Very high	37 Å²	37	55.7 Å²	55.7	17%	0.173	32%	0.317	C	S	.	.			trans	-61.3	138.4	174.1	-173.4	168.3	7.2	0	0	110.7	R51 V52 V77 K78 V109 R110	R51-Q112 WeakPolarHBondContact CA-O 3.36Å; V52-Q112 HydrophobicContact CG2-CB 4.26Å; V52-Q112 PolarHBondContact N-O 2.7Å; V77-Q112 VanDerWaalsContact CG1-CD 3.48Å; V77-Q112 HydrophobicContact CG1-CG 3.8Å; V77-Q112 VanDerWaalsContact CG1-NE2 3.31Å; K78-Q112 PolarHBondContact O-NE2 2.92Å; V109-Q112 WeakPolarHBondContact O-CB 3.39Å; V109-Q112 PolarHBondContact O-N 3.4Å; V109-Q112 VanDerWaalsContact O-N 3.11Å; R110-Q112 VanDerWaalsContact C-N 3.31Å
113	Q	94.2	Very high	92.8	Very high	111 Å²	111	55.3 Å²	55.3	52%	0.519	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	134.7	-175.3	-69.6	-177.8	-20.4	0	0	111.9	G50 K78	G50-Q113 WeakPolarHBondContact O-CA 3.43Å; K78-Q113 PolarHBondContact N-O 3.46Å
114	C	93.8	Very high	92.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.8	171.5	-59.3	0	0	0	0	108.8	T49 G50 V52 V62 L75 E76	T49-C114 CarbonylContact C-O 3.54Å; T49-C114 WeakPolarHBondContact CA-O 3.45Å; G50-C114 PolarHBondContact N-O 3.04Å; G50-C114 PolarHBondContact O-N 3.02Å; V52-C114 VanDerWaalsContact CG2-SG 3.58Å; V62-C114 HydrophobicContact CG1-CB 3.92Å; L75-C114 HydrophobicContact CB-CB 4.45Å; E76-C114 CarbonylContact O-C 3.2Å; E76-C114 WeakPolarHBondContact O-CA 3.31Å
115	V	94.5	Very high	92.9	Very high	27 Å²	27	52.3 Å²	52.3	16%	0.164	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	128.8	-178.2	-178.9	0	0	0	0	108.9	A47 T49 L75 E76 K78 T117	A47-V115 HydrophobicContact CB-CG1 3.9Å; T49-V115 HydrophobicContact CG2-CG2 4.26Å; L75-V115 CarbonylContact C-O 3.54Å; L75-V115 WeakPolarHBondContact CA-O 3.48Å; E76-V115 PolarHBondContact N-O 2.99Å; E76-V115 PolarHBondContact O-N 2.98Å; K78-V115 HydrophobicContact CD-CG2 4.16Å; K78-V115 VanDerWaalsContact CE-CG2 3.43Å; K78-V115 HydrophobicContact CG-CG2 3.62Å; V115-T117 PolarHBondContact O-N 2.94Å
116	D	93.8	Very high	93	Very high	23 Å²	23	51.2 Å²	51.2	12%	0.123	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	131.1	170.8	-176.9	23.9	0	0	0	110.8	S48 P69 N73 L75 G118	S48-D116 PolarHBondContact O-N 2.85Å; S48-D116 VanDerWaalsContact O-N 3.08Å; S48-D116 VanDerWaalsContact OG-CB 3.3Å; S48-D116 WeakPolarHBondContact OG-CB 3.45Å; P69-D116 HydrophobicContact CB-CB 4.39Å; P69-D116 HydrophobicContact CG-CB 3.89Å; N73-D116 PolarHBondContact ND2-OD1 3.18Å; N73-D116 PolarHBondContact ND2-OD2 3.34Å; L75-D116 HydrophobicContact CD2-CB 3.81Å; D116-G118 VanDerWaalsContact C-N 3.27Å; D116-G118 PolarHBondContact OD1-N 3.42Å
117	T	91.8	Very high	93	Very high	70 Å²	70	46.8 Å²	46.8	43%	0.429	27%	0.274	S	S	.	.			trans	-81.1	-11	175.4	63.7	0	0	0	0	112.4	A74 E76 V115 G119	A74-T117 HydrophobicContact CB-CG2 4.38Å; A74-T117 WeakPolarHBondContact CB-OG1 3.43Å; A74-T117 WeakPolarHBondContact O-CB 3.42Å; A74-T117 WeakPolarHBondContact O-CG2 3.28Å; A74-T117 PolarHBondContact O-N 3.08Å; A74-T117 PolarHBondContact O-OG1 2.89Å; E76-T117 HydrophobicContact CB-CG2 4.33Å; V115-T117 PolarHBondContact O-N 2.94Å; T117-G119 PolarHBondContact OG1-O 3.34Å
118	G	89	Confident	93	Very high	46 Å²	46	46.6 Å²	46.6	47%	0.474	25%	0.254	S	S	.	.	S	Bend	trans	87.1	2.2	176.8	0	0	0	0	0	114.6	D116	D116-G118 VanDerWaalsContact C-N 3.27Å; D116-G118 PolarHBondContact OD1-N 3.42Å
119	G	91.5	Very high	93.1	Very high	14 Å²	14	45.5 Å²	45.5	14%	0.144	25%	0.248	C	C	.	.	S	Bend	trans	-164.9	-175.1	177.6	0	0	0	0	0	112.3	N73 A74 T117	N73-G119 WeakPolarHBondContact CA-O 3.38Å; N73-G119 PolarHBondContact ND2-N 2.92Å; N73-G119 WeakPolarHBondContact OD1-CA 3.29Å; A74-G119 PolarHBondContact N-O 3.36Å; T117-G119 PolarHBondContact OG1-O 3.34Å
120	P	94.2	Very high	93.1	Very high	29 Å²	29	42 Å²	42	19%	0.188	23%	0.226	C	C	.	.	S	Bend	trans	-66	170.7	176.4	29.8	-35.9	0	0	0	111.8	L72 R122	L72-P120 VanDerWaalsContact O-CA 3.31Å; L72-P120 WeakPolarHBondContact O-CA 3.47Å; P120-R122 VanDerWaalsContact O-CG 3.29Å; P120-R122 WeakPolarHBondContact O-CG 3.47Å; P120-R122 PolarHBondContact O-N 3.14Å; P120-R122 VanDerWaalsContact O-N 3.17Å
121	I	94.8	Very high	93	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.031	19%	0.191	C	C	.	.			trans	-54.5	124.1	171.9	-59	174.6	0	0	0	108.5	A74 I85 E87 M102 I123 I137 G154 I155	A74-I121 HydrophobicContact CB-CG1 3.78Å; I85-I121 HydrophobicContact CG2-CD1 4.22Å; I85-I121 HydrophobicContact CG2-CG1 3.99Å; E87-I121 HydrophobicContact CB-CD1 4.36Å; M102-I121 HydrophobicContact CE-CD1 4.36Å; M102-I121 HydrophobicContact CG-CD1 3.69Å; M102-I121 HydrophobicContact SD-CD1 3.81Å; I121-I123 HydrophobicContact CG2-CG2 4.44Å; I121-I137 HydrophobicContact CG2-CB 4.34Å; I121-I137 HydrophobicContact CG2-CG2 4.12Å; I121-G154 CarbonylContact O-C 3.6Å; I121-G154 VanDerWaalsContact O-CA 3.32Å; I121-G154 WeakPolarHBondContact O-CA 3.46Å; I121-I155 HydrophobicContact CB-CD1 3.79Å; I121-I155 HydrophobicContact CB-CG1 4.02Å; I121-I155 HydrophobicContact CB-CG2 4.45Å; I121-I155 HydrophobicContact CD1-CD1 3.9Å; I121-I155 HydrophobicContact CG1-CD1 4.26Å; I121-I155 HydrophobicContact CG2-CD1 4.34Å; I121-I155 HydrophobicContact CG2-CG2 4.3Å; I121-I155 PolarHBondContact O-N 2.83Å
122	R	94.5	Very high	93	Very high	129 Å²	129	31.9 Å²	31.9	49%	0.487	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.5	-179.5	-57.7	-177.9	67.6	-175.8	1.5	110.7	P120 M152 S153	P120-R122 VanDerWaalsContact O-CG 3.29Å; P120-R122 WeakPolarHBondContact O-CG 3.47Å; P120-R122 PolarHBondContact O-N 3.14Å; P120-R122 VanDerWaalsContact O-N 3.17Å; R122-M152 HydrophobicContact CB-CB 4.41Å; R122-M152 HydrophobicContact CB-CE 4.48Å; R122-M152 PolarHBondContact NH2-O 3.41Å; R122-M152 WeakPolarHBondContact O-CE 3.49Å; R122-S153 CarbonylContact C-O 3.6Å; R122-S153 WeakPolarHBondContact CA-O 3.34Å
123	I	95	Very high	93.1	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	153.1	-177.6	66.6	169.7	0	0	0	111	I121 V125 M152 S153 I155 T274 T277 V278	I121-I123 HydrophobicContact CG2-CG2 4.44Å; I123-V125 HydrophobicContact CD1-CG1 4.39Å; I123-V125 HydrophobicContact CG1-CG1 4.13Å; I123-V125 PolarHBondContact O-N 3.33Å; I123-M152 CarbonylContact O-C 3.57Å; I123-M152 WeakPolarHBondContact O-CA 3.41Å; I123-S153 PolarHBondContact N-O 3.25Å; I123-S153 PolarHBondContact O-N 2.92Å; I123-I155 HydrophobicContact CD1-CG2 4.39Å; I123-I155 HydrophobicContact CG1-CG2 4.45Å; I123-I155 HydrophobicContact CG2-CG2 3.77Å; I123-T274 HydrophobicContact CD1-CG2 3.59Å; I123-T274 VanDerWaalsContact CD1-O 3.25Å; I123-T274 WeakPolarHBondContact CD1-O 3.28Å; I123-T274 HydrophobicContact CG2-CG2 3.99Å; I123-T277 HydrophobicContact CD1-CG2 3.93Å; I123-T277 HydrophobicContact CG1-CG2 4.17Å; I123-V278 HydrophobicContact CD1-CG2 3.8Å
124	P	95.5	Very high	93.1	Very high	7 Å²	7	25.6 Å²	25.6	5%	0.045	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.4	172.1	29.1	-31.4	0	0	0	109.8	T129 G138 I147 T149 M152	P124-T129 WeakPolarHBondContact O-CG2 3.16Å; P124-G138 VanDerWaalsContact CD-O 3.22Å; P124-G138 WeakPolarHBondContact CD-O 3.23Å; P124-G138 WeakPolarHBondContact CG-O 3.46Å; P124-I147 HydrophobicContact CB-CG2 3.99Å; P124-I147 HydrophobicContact CG-CB 4.42Å; P124-I147 HydrophobicContact CG-CD1 4.47Å; P124-I147 HydrophobicContact CG-CG2 4.17Å; P124-T149 HydrophobicContact CB-CG2 3.7Å; P124-T149 WeakPolarHBondContact CB-OG1 3.22Å; P124-M152 WeakPolarHBondContact CA-SD 3.14Å; P124-M152 HydrophobicContact CB-SD 3.83Å
125	V	94.1	Very high	93.2	Very high	4 Å²	4	26.8 Å²	26.8	2%	0.024	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	145	174.4	-62.5	0	0	0	0	109.1	I123 T149 M151 T277 Y281	I123-V125 HydrophobicContact CD1-CG1 4.39Å; I123-V125 HydrophobicContact CG1-CG1 4.13Å; I123-V125 PolarHBondContact O-N 3.33Å; V125-T149 WeakPolarHBondContact O-CB 3.1Å; V125-T149 VanDerWaalsContact O-CG2 3.32Å; V125-T149 WeakPolarHBondContact O-CG2 3.38Å; V125-M151 HydrophobicContact CG2-CB 3.95Å; V125-M151 PolarHBondContact N-O 3.12Å; V125-T277 HydrophobicContact CG1-CG2 4.33Å; V125-Y281 HydrophobicContact CB-CD2 3.93Å; V125-Y281 HydrophobicContact CB-CG 3.83Å; V125-Y281 HydrophobicContact CG2-CD2 3.54Å; V125-Y281 HydrophobicContact CG2-CE2 4.18Å; V125-Y281 HydrophobicContact CG2-CG 3.99Å
126	G	91.9	Very high	93.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	S	Bend	trans	147.8	167.4	-175.7	0	0	0	0	0	113	E128 T129 F282	G126-E128 WeakPolarHBondContact CA-OE2 3.36Å; G126-E128 PolarHBondContact O-N 3.24Å; G126-E128 VanDerWaalsContact O-N 3.08Å; G126-T129 PolarHBondContact O-N 3.33Å; G126-T129 PolarHBondContact O-OG1 3.37Å; G126-F282 WeakPolarHBondContact O-CZ 3.48Å
127	P	91.2	Very high	93.1	Very high	51 Å²	51	25.4 Å²	25.4	33%	0.331	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-57	-21.6	168.9	-21.8	34.1	0	0	0	112.8	T129 L130 F282	P127-T129 PolarHBondContact O-N 3.41Å; P127-L130 HydrophobicContact CB-CD1 4.24Å; P127-L130 VanDerWaalsContact O-CB 3.3Å; P127-L130 WeakPolarHBondContact O-CB 3.12Å; P127-L130 WeakPolarHBondContact O-CG 3.25Å; P127-L130 PolarHBondContact O-N 2.92Å; P127-L130 VanDerWaalsContact O-N 3.13Å; P127-F282 HydrophobicContact CG-CE1 4.45Å
128	E	91.4	Very high	93.1	Very high	67 Å²	67	22.4 Å²	22.4	31%	0.313	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-69.2	-10.9	177	-53.7	89.2	166	0	0	113.7	G126 R132 T149	G126-E128 WeakPolarHBondContact CA-OE2 3.36Å; G126-E128 PolarHBondContact O-N 3.24Å; G126-E128 VanDerWaalsContact O-N 3.08Å; E128-R132 WeakPolarHBondContact O-CG 3.46Å; E128-T149 HydrophobicContact CB-CG2 3.96Å
129	T	92.8	Very high	93.4	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-83.1	-14.6	172.1	73.2	0	0	0	0	112.8	P124 G126 P127 G131 R132 M134 I147 T149 S255	P124-T129 WeakPolarHBondContact O-CG2 3.16Å; G126-T129 PolarHBondContact O-N 3.33Å; G126-T129 PolarHBondContact O-OG1 3.37Å; P127-T129 PolarHBondContact O-N 3.41Å; T129-G131 PolarHBondContact O-N 3.05Å; T129-R132 VanDerWaalsContact O-CB 3.32Å; T129-R132 WeakPolarHBondContact O-CB 3.35Å; T129-R132 PolarHBondContact O-N 3.21Å; T129-R132 VanDerWaalsContact O-N 3.11Å; T129-M134 HydrophobicContact CG2-CE 3.89Å; T129-I147 HydrophobicContact CG2-CG2 4.35Å; T129-T149 HydrophobicContact CG2-CG2 4.13Å; T129-S255 PolarHBondContact O-OG 2.8Å; T129-S255 PolarHBondContact OG1-OG 3.28Å
130	L	92.3	Very high	93.5	Very high	24 Å²	24	24.7 Å²	24.7	13%	0.126	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	132.4	-178.7	-62.7	169.2	0	0	0	111.1	P127 R132 Y219 F282	P127-L130 HydrophobicContact CB-CD1 4.24Å; P127-L130 VanDerWaalsContact O-CB 3.3Å; P127-L130 WeakPolarHBondContact O-CB 3.12Å; P127-L130 WeakPolarHBondContact O-CG 3.25Å; P127-L130 PolarHBondContact O-N 2.92Å; P127-L130 VanDerWaalsContact O-N 3.13Å; L130-R132 PolarHBondContact O-N 3.13Å; L130-Y219 HydrophobicContact CD1-CD1 3.68Å; L130-Y219 HydrophobicContact CD1-CE1 3.29Å; L130-Y219 HydrophobicContact CD2-CD1 3.71Å; L130-Y219 HydrophobicContact CD2-CE1 4.24Å; L130-Y219 HydrophobicContact CD2-CG 4.29Å; L130-Y219 HydrophobicContact CG-CD1 4.37Å; L130-Y219 HydrophobicContact CG-CE1 4.42Å; L130-F282 HydrophobicContact CD1-CE1 4.44Å; L130-F282 HydrophobicContact CD1-CZ 4.33Å; L130-F282 HydrophobicContact CD2-CE2 4.32Å; L130-F282 HydrophobicContact CD2-CZ 3.87Å; L130-F282 HydrophobicContact CG-CZ 3.99Å
131	G	91.1	Very high	93.3	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	6.8	-175.5	0	0	0	0	0	114	T129 R144 V254	T129-G131 PolarHBondContact O-N 3.05Å; G131-R144 PolarHBondContact O-NH1 3.35Å; G131-V254 WeakPolarHBondContact CA-O 3.31Å; G131-V254 PolarHBondContact N-O 3.13Å
132	R	93.7	Very high	93.1	Very high	25 Å²	25	27.4 Å²	27.4	9%	0.094	14%	0.137	C	C	.	.			trans	-104.3	155.9	179.6	-52.3	-59	-54.6	-82.5	-6.2	110.6	E128 T129 L130 D142 G145 I147 L256	E128-R132 WeakPolarHBondContact O-CG 3.46Å; T129-R132 VanDerWaalsContact O-CB 3.32Å; T129-R132 WeakPolarHBondContact O-CB 3.35Å; T129-R132 PolarHBondContact O-N 3.21Å; T129-R132 VanDerWaalsContact O-N 3.11Å; L130-R132 PolarHBondContact O-N 3.13Å; R132-D142 IonicContact CZ-OD1 2.79Å; R132-D142 IonicContact CZ-OD2 3.5Å; R132-D142 IonicContact NE-OD1 3.6Å; R132-D142 IonicContact NE-OD2 2.69Å; R132-D142 PolarHBondContact NE-OD2 2.99Å; R132-D142 IonicContact NH2-OD1 3.48Å; R132-D142 PolarHBondContact NH2-OD1 3.39Å; R132-D142 IonicContact NH2-OD2 3.2Å; R132-D142 PolarHBondContact NH2-OD2 3.48Å; R132-G145 PolarHBondContact NH2-O 3.03Å; R132-I147 HydrophobicContact CB-CD1 3.98Å; R132-I147 HydrophobicContact CB-CG1 4.23Å; R132-I147 HydrophobicContact CG-CD1 4.45Å; R132-I147 HydrophobicContact CG-CG1 4.19Å; R132-L256 PolarHBondContact O-N 3.2Å
133	I	94.2	Very high	92.8	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.082	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.5	172.5	-46.5	178.6	0	0	0	109.3	P140 I141 D142 Y236 L256 Y258	I133-P140 VanDerWaalsContact O-CA 3.29Å; I133-P140 WeakPolarHBondContact O-CA 3.3Å; I133-I141 HydrophobicContact CB-CG1 4.01Å; I133-I141 HydrophobicContact CG2-CD1 3.73Å; I133-I141 HydrophobicContact CG2-CG1 3.52Å; I133-I141 PolarHBondContact O-N 3.02Å; I133-D142 HydrophobicContact CB-CB 3.92Å; I133-D142 HydrophobicContact CD1-CB 4.09Å; I133-D142 HydrophobicContact CG1-CB 3.9Å; I133-D142 PolarHBondContact N-OD2 3.49Å; I133-Y236 HydrophobicContact CD1-CD1 3.98Å; I133-Y236 HydrophobicContact CD1-CD2 3.69Å; I133-Y236 HydrophobicContact CD1-CE1 4.07Å; I133-Y236 HydrophobicContact CD1-CE2 3.79Å; I133-Y236 HydrophobicContact CD1-CG 3.77Å; I133-Y236 HydrophobicContact CG1-CD2 4.08Å; I133-Y236 HydrophobicContact CG1-CE2 3.95Å; I133-L256 WeakPolarHBondContact CA-O 3.5Å; I133-L256 HydrophobicContact CB-CB 4.43Å; I133-L256 HydrophobicContact CG1-CB 4.17Å; I133-L256 HydrophobicContact CG1-CD1 3.98Å; I133-L256 HydrophobicContact CG2-CB 4.24Å; I133-Y258 HydrophobicContact CG2-CD2 3.33Å; I133-Y258 HydrophobicContact CG2-CE2 3.65Å
134	M	95.1	Very high	92.4	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	153	176.2	71.6	-171.1	79.9	0	0	112.5	T129 E139 I147 S255 L256 V257 Y258 V278	T129-M134 HydrophobicContact CG2-CE 3.89Å; M134-E139 VanDerWaalsContact CA-O 3.3Å; M134-E139 WeakPolarHBondContact CA-O 3.42Å; M134-I147 HydrophobicContact CB-CD1 4.36Å; M134-S255 WeakPolarHBondContact CE-OG 3.46Å; M134-L256 PolarHBondContact N-O 3.26Å; M134-V257 HydrophobicContact CE-CG2 4.31Å; M134-V257 HydrophobicContact CG-CB 4.15Å; M134-V257 HydrophobicContact CG-CG1 3.99Å; M134-V257 HydrophobicContact CG-CG2 3.71Å; M134-V257 WeakPolarHBondContact O-CA 3.35Å; M134-V257 HydrophobicContact SD-CG2 3.84Å; M134-Y258 PolarHBondContact O-N 3.35Å; M134-V278 HydrophobicContact CE-CG2 4.1Å; M134-V278 HydrophobicContact SD-CG2 3.99Å
135	N	94.2	Very high	92.1	Very high	25 Å²	25	36.6 Å²	36.6	13%	0.134	19%	0.191	C	C	.	.			trans	-85.8	-178.2	170.1	68.8	11.5	0	0	0	111.7	I137 G138 E139 I141	N135-I137 PolarHBondContact O-N 3.34Å; N135-I137 WeakPolarHBondContact OD1-CG1 3.35Å; N135-I137 PolarHBondContact OD1-N 3.18Å; N135-I137 VanDerWaalsContact OD1-N 3.15Å; N135-G138 PolarHBondContact O-N 2.97Å; N135-G138 PolarHBondContact OD1-N 3.38Å; N135-G138 VanDerWaalsContact OD1-N 3.09Å; N135-E139 PolarHBondContact N-O 3.39Å; N135-E139 PolarHBondContact OD1-N 2.98Å; N135-E139 PolarHBondContact OD1-O 3.36Å; N135-I141 HydrophobicContact CB-CG2 4.02Å
136	V	93.3	Very high	92	Very high	4 Å²	4	41 Å²	41	2%	0.024	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.3	-179.6	65.2	0	0	0	0	114.4	M102 A267 R270 T274	M102-V136 HydrophobicContact CB-CG1 4.06Å; M102-V136 HydrophobicContact SD-CG2 4.36Å; V136-A267 HydrophobicContact CB-CB 4.41Å; V136-A267 HydrophobicContact CG1-CB 3.93Å; V136-R270 HydrophobicContact CG2-CB 3.6Å; V136-T274 PolarHBondContact O-OG1 3.5Å
137	I	93.6	Very high	91.9	Very high	17 Å²	17	41.9 Å²	41.9	9%	0.087	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	4.9	178.7	61.1	172.1	0	0	0	113.3	I85 M102 I121 N135 E139	I85-I137 HydrophobicContact CB-CG2 3.99Å; I85-I137 HydrophobicContact CG1-CD1 4.17Å; I85-I137 HydrophobicContact CG1-CG2 3.99Å; I85-I137 HydrophobicContact CG2-CG2 4.49Å; M102-I137 HydrophobicContact CB-CG2 4.07Å; M102-I137 HydrophobicContact CG-CG2 4.26Å; I121-I137 HydrophobicContact CG2-CB 4.34Å; I121-I137 HydrophobicContact CG2-CG2 4.12Å; N135-I137 PolarHBondContact O-N 3.34Å; N135-I137 WeakPolarHBondContact OD1-CG1 3.35Å; N135-I137 PolarHBondContact OD1-N 3.18Å; N135-I137 VanDerWaalsContact OD1-N 3.15Å; I137-E139 VanDerWaalsContact CD1-CD 3.47Å; I137-E139 HydrophobicContact CD1-CG 3.99Å; I137-E139 HydrophobicContact CG1-CB 4.37Å; I137-E139 HydrophobicContact CG1-CG 4.02Å
138	G	92.6	Very high	91.7	Very high	6 Å²	6	47.7 Å²	47.7	6%	0.062	24%	0.244	C	C	.	.	S	Bend	trans	81.8	11.1	176.4	0	0	0	0	0	115	P124 N135	P124-G138 VanDerWaalsContact CD-O 3.22Å; P124-G138 WeakPolarHBondContact CD-O 3.23Å; P124-G138 WeakPolarHBondContact CG-O 3.46Å; N135-G138 PolarHBondContact O-N 2.97Å; N135-G138 PolarHBondContact OD1-N 3.38Å; N135-G138 VanDerWaalsContact OD1-N 3.09Å
139	E	93.6	Very high	91.5	Very high	62 Å²	62	46 Å²	46	29%	0.29	24%	0.238	S	C	.	.			trans	-81.8	139.4	174.7	-67.7	179	172.5	0	0	110.3	R83 M134 N135 I137	R83-E139 WeakPolarHBondContact CD-OE1 3.32Å; R83-E139 IonicContact CZ-OE1 3.8Å; R83-E139 IonicContact NE-OE1 2.86Å; R83-E139 IonicContact NH1-OE1 3.7Å; R83-E139 PolarHBondContact NH1-OE1 3.42Å; M134-E139 VanDerWaalsContact CA-O 3.3Å; M134-E139 WeakPolarHBondContact CA-O 3.42Å; N135-E139 PolarHBondContact N-O 3.39Å; N135-E139 PolarHBondContact OD1-N 2.98Å; N135-E139 PolarHBondContact OD1-O 3.36Å; I137-E139 VanDerWaalsContact CD1-CD 3.47Å; I137-E139 HydrophobicContact CD1-CG 3.99Å; I137-E139 HydrophobicContact CG1-CB 4.37Å; I137-E139 HydrophobicContact CG1-CG 4.02Å
140	P	93.8	Very high	91.2	Very high	47 Å²	47	54.7 Å²	54.7	31%	0.305	28%	0.276	S	S	.	.	B	Isolated β-bridge	trans	-70.9	134.2	179.5	25.9	-30.5	0	0	0	111.6	I133 G145 I147	I133-P140 VanDerWaalsContact O-CA 3.29Å; I133-P140 WeakPolarHBondContact O-CA 3.3Å; P140-G145 WeakPolarHBondContact CG-O 3.34Å; P140-I147 HydrophobicContact CB-CD1 3.97Å; P140-I147 HydrophobicContact CB-CG1 4Å; P140-I147 HydrophobicContact CG-CG1 4.34Å
141	I	91.6	Very high	91.2	Very high	72 Å²	72	57.6 Å²	57.6	37%	0.369	29%	0.29	S	S	.	.			trans	-116.9	10.6	177.1	59.3	170.5	0	0	0	112.6	I133 N135	I133-I141 HydrophobicContact CB-CG1 4.01Å; I133-I141 HydrophobicContact CG2-CD1 3.73Å; I133-I141 HydrophobicContact CG2-CG1 3.52Å; I133-I141 PolarHBondContact O-N 3.02Å; N135-I141 HydrophobicContact CB-CG2 4.02Å
142	D	89.7	Confident	91.3	Very high	19 Å²	19	61.6 Å²	61.6	10%	0.102	31%	0.31	C	S	.	.	S	Bend	trans	-92.2	6.7	-178.6	62.3	1.7	0	0	0	114.6	R132 I133 R144	R132-D142 IonicContact CZ-OD1 2.79Å; R132-D142 IonicContact CZ-OD2 3.5Å; R132-D142 IonicContact NE-OD1 3.6Å; R132-D142 IonicContact NE-OD2 2.69Å; R132-D142 PolarHBondContact NE-OD2 2.99Å; R132-D142 IonicContact NH2-OD1 3.48Å; R132-D142 PolarHBondContact NH2-OD1 3.39Å; R132-D142 IonicContact NH2-OD2 3.2Å; R132-D142 PolarHBondContact NH2-OD2 3.48Å; I133-D142 HydrophobicContact CB-CB 3.92Å; I133-D142 HydrophobicContact CD1-CB 4.09Å; I133-D142 HydrophobicContact CG1-CB 3.9Å; I133-D142 PolarHBondContact N-OD2 3.49Å; D142-R144 WeakPolarHBondContact O-CG 3.39Å; D142-R144 PolarHBondContact O-N 2.66Å; D142-R144 PolarHBondContact OD1-N 2.98Å; D142-R144 VanDerWaalsContact OD1-N 3.14Å
143	E	87.6	Confident	91.3	Very high	195 Å²	195	62.1 Å²	62.1	91%	0.911	32%	0.317	S	S	*	.	S	Bend	trans	57.4	13.4	-177.4	-55	-173.4	161.7	0	0	114.9	G145	E143-G145 VanDerWaalsContact C-N 3.32Å; E143-G145 PolarHBondContact O-N 3.48Å
144	R	88.2	Confident	91.3	Very high	98 Å²	98	61.7 Å²	61.7	37%	0.37	32%	0.316	S	S	.	.	S	Bend	trans	-95.6	21	-178.2	-68.9	165.7	67.9	-161	0.5	113.4	G131 D142 Y236	G131-R144 PolarHBondContact O-NH1 3.35Å; D142-R144 WeakPolarHBondContact O-CG 3.39Å; D142-R144 PolarHBondContact O-N 2.66Å; D142-R144 PolarHBondContact OD1-N 2.98Å; D142-R144 VanDerWaalsContact OD1-N 3.14Å; R144-Y236 PolarHBondContact NH1-OH 3.43Å
145	G	89.2	Confident	91.3	Very high	37 Å²	37	61.7 Å²	61.7	38%	0.381	32%	0.316	S	S	.	.			trans	80.6	-174.5	180	0	0	0	0	0	114	R132 P140 E143	R132-G145 PolarHBondContact NH2-O 3.03Å; P140-G145 WeakPolarHBondContact CG-O 3.34Å; E143-G145 VanDerWaalsContact C-N 3.32Å; E143-G145 PolarHBondContact O-N 3.48Å
146	P	90.5	Very high	91.3	Very high	95 Å²	95	62.1 Å²	62.1	62%	0.617	32%	0.318	S	S	*	.			trans	-69.5	144.5	-173.7	27.3	-34.3	0	0	0	112.6	K148	P146-K148 PolarHBondContact O-N 3.38Å
147	I	89.9	Confident	91.2	Very high	20 Å²	20	64.8 Å²	64.8	10%	0.103	33%	0.33	C	S	.	.			trans	-78.8	112.6	168.1	-63.6	167	0	0	0	107.5	P124 T129 R132 M134 P140 T149	P124-I147 HydrophobicContact CB-CG2 3.99Å; P124-I147 HydrophobicContact CG-CB 4.42Å; P124-I147 HydrophobicContact CG-CD1 4.47Å; P124-I147 HydrophobicContact CG-CG2 4.17Å; T129-I147 HydrophobicContact CG2-CG2 4.35Å; R132-I147 HydrophobicContact CB-CD1 3.98Å; R132-I147 HydrophobicContact CB-CG1 4.23Å; R132-I147 HydrophobicContact CG-CD1 4.45Å; R132-I147 HydrophobicContact CG-CG1 4.19Å; M134-I147 HydrophobicContact CB-CD1 4.36Å; P140-I147 HydrophobicContact CB-CD1 3.97Å; P140-I147 HydrophobicContact CB-CG1 4Å; P140-I147 HydrophobicContact CG-CG1 4.34Å; I147-T149 HydrophobicContact CG2-CG2 3.77Å; I147-T149 PolarHBondContact O-N 2.96Å
148	K	86.9	Confident	91.2	Very high	172 Å²	172	68.8 Å²	68.8	75%	0.748	35%	0.351	S	S	*	.			trans	-96.6	78.8	-178.8	-66.8	179.6	-179.2	177.3	0	110.1	P146	P146-K148 PolarHBondContact O-N 3.38Å
149	T	87.5	Confident	91.2	Very high	31 Å²	31	70.4 Å²	70.4	19%	0.19	36%	0.364	C	S	.	.			trans	-87.9	158.8	174.4	54.4	0	0	0	0	112.2	P124 V125 E128 T129 I147 M151	P124-T149 HydrophobicContact CB-CG2 3.7Å; P124-T149 WeakPolarHBondContact CB-OG1 3.22Å; V125-T149 WeakPolarHBondContact O-CB 3.1Å; V125-T149 VanDerWaalsContact O-CG2 3.32Å; V125-T149 WeakPolarHBondContact O-CG2 3.38Å; E128-T149 HydrophobicContact CB-CG2 3.96Å; T129-T149 HydrophobicContact CG2-CG2 4.13Å; I147-T149 HydrophobicContact CG2-CG2 3.77Å; I147-T149 PolarHBondContact O-N 2.96Å; T149-M151 WeakPolarHBondContact CB-O 3.25Å; T149-M151 PolarHBondContact OG1-O 2.88Å
150	K	87.3	Confident	91.2	Very high	184 Å²	184	68.1 Å²	68.1	80%	0.8	36%	0.355	S	S	*	.	S	Bend	trans	-82.5	-25.4	171	-61.2	172.9	-170.5	166.1	0	112.4
151	M	91.2	Very high	91.1	Very high	84 Å²	84	71.2 Å²	71.2	41%	0.414	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	150	-172.8	-62.6	-167.4	-131.8	0	0	111.3	V125 T149 Y281	V125-M151 HydrophobicContact CG2-CB 3.95Å; V125-M151 PolarHBondContact N-O 3.12Å; T149-M151 WeakPolarHBondContact CB-O 3.25Å; T149-M151 PolarHBondContact OG1-O 2.88Å; M151-Y281 HydrophobicContact CE-CE2 4.06Å; M151-Y281 HydrophobicContact SD-CE2 3.97Å
152	M	93.3	Very high	91	Very high	85 Å²	85	76.1 Å²	76.1	42%	0.419	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	125.9	175.3	-61.2	-71.3	-68	0	0	107.7	R122 I123 P124	R122-M152 HydrophobicContact CB-CB 4.41Å; R122-M152 HydrophobicContact CB-CE 4.48Å; R122-M152 PolarHBondContact NH2-O 3.41Å; R122-M152 WeakPolarHBondContact O-CE 3.49Å; I123-M152 CarbonylContact O-C 3.57Å; I123-M152 WeakPolarHBondContact O-CA 3.41Å; P124-M152 WeakPolarHBondContact CA-SD 3.14Å; P124-M152 HydrophobicContact CB-SD 3.83Å
153	S	94.1	Very high	91.1	Very high	35 Å²	35	81.1 Å²	81.1	25%	0.245	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.1	179.6	-166	0	0	0	0	111.3	R122 I123	R122-S153 CarbonylContact C-O 3.6Å; R122-S153 WeakPolarHBondContact CA-O 3.34Å; I123-S153 PolarHBondContact N-O 3.25Å; I123-S153 PolarHBondContact O-N 2.92Å
154	G	94.8	Very high	91.1	Very high	7 Å²	7	76.8 Å²	76.8	7%	0.072	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	141.9	175.7	0	0	0	0	0	111.1	I121 H156 Q157 T277	I121-G154 CarbonylContact O-C 3.6Å; I121-G154 VanDerWaalsContact O-CA 3.32Å; I121-G154 WeakPolarHBondContact O-CA 3.46Å; G154-H156 VanDerWaalsContact C-N 3.26Å; G154-H156 PolarHBondContact O-N 3.49Å; G154-Q157 WeakPolarHBondContact O-CG 3.48Å; G154-Q157 PolarHBondContact O-NE2 2.93Å; G154-T277 WeakPolarHBondContact O-CG2 3.42Å
155	I	94.8	Very high	91.2	Very high	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.387	C	S	.	.	S	Bend	trans	-68.4	-25.9	-179.3	65.6	173.1	0	0	0	113.7	I121 I123 R270 L273 T277 R334	I121-I155 HydrophobicContact CB-CD1 3.79Å; I121-I155 HydrophobicContact CB-CG1 4.02Å; I121-I155 HydrophobicContact CB-CG2 4.45Å; I121-I155 HydrophobicContact CD1-CD1 3.9Å; I121-I155 HydrophobicContact CG1-CD1 4.26Å; I121-I155 HydrophobicContact CG2-CD1 4.34Å; I121-I155 HydrophobicContact CG2-CG2 4.3Å; I121-I155 PolarHBondContact O-N 2.83Å; I123-I155 HydrophobicContact CD1-CG2 4.39Å; I123-I155 HydrophobicContact CG1-CG2 4.45Å; I123-I155 HydrophobicContact CG2-CG2 3.77Å; I155-R270 HydrophobicContact CD1-CB 4.22Å; I155-R270 HydrophobicContact CD1-CG 4.4Å; I155-L273 HydrophobicContact CB-CB 4.44Å; I155-T277 WeakPolarHBondContact CA-OG1 3.25Å; I155-T277 PolarHBondContact O-OG1 2.92Å; I155-R334 PolarHBondContact O-NH1 3.16Å; I155-R334 PolarHBondContact O-NH2 3.38Å
156	H	93.9	Very high	91.1	Very high	35 Å²	35	74.6 Å²	74.6	16%	0.162	38%	0.382	C	S	.	.			trans	-93.2	108.4	176	-63	-62.5	0	0	0	108.4	L72 E87 G154	L72-H156 HydrophobicContact CD1-CB 4.29Å; E87-H156 IonicContact OE1-NE2 3.81Å; E87-H156 IonicContact OE2-CD2 2.74Å; E87-H156 IonicContact OE2-CE1 3.91Å; E87-H156 IonicContact OE2-NE2 3.01Å; E87-H156 PolarHBondContact OE2-NE2 3.31Å; G154-H156 VanDerWaalsContact C-N 3.26Å; G154-H156 PolarHBondContact O-N 3.49Å
157	Q	91.4	Very high	90.8	Very high	59 Å²	59	76.4 Å²	76.4	28%	0.276	39%	0.391	S	S	.	.			trans	-128.5	151.9	174.2	-60.8	-60.4	-32.5	0	0	108.3	G154 R334	G154-Q157 WeakPolarHBondContact O-CG 3.48Å; G154-Q157 PolarHBondContact O-NE2 2.93Å; Q157-R334 WeakPolarHBondContact O-CD 3.4Å
158	D	92.9	Very high	90.5	Very high	101 Å²	101	81.7 Å²	81.7	54%	0.54	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-75.8	156.7	169.8	-67.1	-41.8	0	0	0	110.2
159	A	92.9	Very high	90.3	Very high	40 Å²	40	79.1 Å²	79.1	33%	0.331	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-65.3	152.3	171.9	0	0	0	0	0	110.4	E333 R334	A159-E333 HydrophobicContact CB-CB 4.13Å; A159-R334 HydrophobicContact CB-CG 4.19Å
160	P	92.8	Very high	90.4	Very high	15 Å²	15	81.8 Å²	81.8	10%	0.097	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-54.1	146.8	175.5	-26.8	36.2	0	0	0	112.3	M165 T336 T338	P160-M165 WeakPolarHBondContact O-CE 3.49Å; P160-T336 HydrophobicContact CB-CG2 4.26Å; P160-T336 HydrophobicContact CG-CG2 3.72Å; P160-T338 HydrophobicContact CB-CG2 4.07Å; P160-T338 HydrophobicContact CG-CG2 4.03Å
161	D	92.1	Very high	90.6	Very high	111 Å²	111	75.1 Å²	75.1	59%	0.594	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-64.8	145.7	175.7	-82.3	-30.7	0	0	0	110.8	I163 E164 M165	D161-I163 PolarHBondContact O-N 3.29Å; D161-E164 HydrophobicContact CB-CG 4.41Å; D161-E164 PolarHBondContact O-N 3.07Å; D161-M165 PolarHBondContact O-N 3.12Å
162	F	90.2	Very high	90.6	Very high	176 Å²	176	71.5 Å²	71.5	77%	0.772	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.1	179.4	-172.5	-103.2	0	0	0	113.8	E164 M165	F162-E164 VanDerWaalsContact C-N 3.33Å; F162-M165 HydrophobicContact CD2-SD 4.26Å
163	I	91.9	Very high	90.5	Very high	124 Å²	124	70.8 Å²	70.8	64%	0.636	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-30.3	178.2	-57.9	168.9	0	0	0	111.2	D161 R339	D161-I163 PolarHBondContact O-N 3.29Å; I163-R339 PolarHBondContact O-NE 3.03Å; I163-R339 VanDerWaalsContact O-NE 3.14Å; I163-R339 PolarHBondContact O-NH2 2.79Å
164	E	87.6	Confident	90.4	Very high	103 Å²	103	69.3 Å²	69.3	48%	0.481	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-17.5	-178.8	-59.7	-168.3	154.6	0	0	112.9	D161 F162 T338 R339	D161-E164 HydrophobicContact CB-CG 4.41Å; D161-E164 PolarHBondContact O-N 3.07Å; F162-E164 VanDerWaalsContact C-N 3.33Å; E164-T338 CarbonylContact O-C 3.55Å; E164-T338 VanDerWaalsContact O-CA 3.23Å; E164-T338 WeakPolarHBondContact O-CA 3.3Å; E164-R339 PolarHBondContact O-N 3.07Å
165	M	89.1	Confident	90.3	Very high	49 Å²	49	69 Å²	69	24%	0.241	35%	0.354	C	S	.	.	B	Isolated β-bridge	trans	-65.8	142.8	178.2	-63.5	-172.3	-172.4	0	0	111.6	P160 D161 F162 T336 S337	P160-M165 WeakPolarHBondContact O-CE 3.49Å; D161-M165 PolarHBondContact O-N 3.12Å; F162-M165 HydrophobicContact CD2-SD 4.26Å; M165-T336 HydrophobicContact CE-CG2 4.48Å; M165-T336 HydrophobicContact CG-CG2 4.45Å; M165-S337 WeakPolarHBondContact CA-O 3.48Å
166	S	87.1	Confident	90.2	Very high	40 Å²	40	69 Å²	69	28%	0.28	35%	0.354	S	S	.	.			trans	-82.5	140.7	171.4	-173.1	0	0	0	0	110.6	E168 S337	S166-E168 PolarHBondContact OG-N 3.27Å; S166-S337 PolarHBondContact N-O 2.91Å
167	T	84.2	Confident	90.3	Very high	133 Å²	133	67.4 Å²	67.4	82%	0.816	35%	0.346	S	S	*	.			trans	-94.9	-6	173.3	54.4	0	0	0	0	112.8
168	E	84.4	Confident	90.4	Very high	132 Å²	132	64.7 Å²	64.7	62%	0.617	33%	0.334	S	S	*	.			trans	-80	127.5	-175.9	-65.3	178.5	168.6	0	0	110.4	S166	S166-E168 PolarHBondContact OG-N 3.27Å
169	Q	83.9	Confident	90.4	Very high	117 Å²	117	59.9 Å²	59.9	55%	0.547	31%	0.308	S	S	.	.			trans	-97.9	92	175.4	-65.4	-174.1	7	0	0	108.7	I401	Q169-I401 HydrophobicContact CB-CG2 4.33Å
170	E	88.3	Confident	90.5	Very high	87 Å²	87	58 Å²	58	41%	0.407	29%	0.293	S	S	.	.			trans	-98.9	140.4	176	-64.2	-168.8	162	0	0	111.1	V186 K187	E170-V186 WeakPolarHBondContact O-CA 3.44Å; E170-K187 HydrophobicContact CB-CB 4.46Å; E170-K187 HydrophobicContact CB-CD 3.97Å; E170-K187 HydrophobicContact CB-CG 4.22Å; E170-K187 PolarHBondContact O-N 2.85Å; E170-K187 WeakPolarHBondContact OE2-CD 3.3Å; E170-K187 WeakPolarHBondContact OE2-CE 3.37Å; E170-K187 IonicContact OE2-NZ 3.1Å; E170-K187 PolarHBondContact OE2-NZ 2.86Å
171	I	91.3	Very high	90.7	Very high	44 Å²	44	57.3 Å²	57.3	23%	0.226	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	129.8	172.4	-54.9	172.6	0	0	0	108.6	E173 P184 Y185 I396 V402 L473	I171-E173 PolarHBondContact O-N 3.35Å; I171-P184 HydrophobicContact CG2-CB 4.09Å; I171-Y185 CarbonylContact C-O 3.58Å; I171-Y185 WeakPolarHBondContact CA-O 3.13Å; I171-I396 HydrophobicContact CG1-CD1 4.01Å; I171-V402 HydrophobicContact CD1-CB 4.33Å; I171-V402 HydrophobicContact CD1-CG1 3.71Å; I171-L473 HydrophobicContact CD1-CD2 4.41Å
172	L	91.4	Very high	90.8	Very high	8 Å²	8	52 Å²	52	4%	0.042	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	100.7	164.8	179.5	68.6	0	0	0	108.5	T174 Y185 K187 L291 T344	L172-T174 PolarHBondContact O-N 3.44Å; L172-Y185 PolarHBondContact N-O 2.78Å; L172-K187 HydrophobicContact CB-CG 3.99Å; L172-K187 HydrophobicContact CD1-CG 4.4Å; L172-L291 HydrophobicContact CD2-CD2 3.77Å; L172-T344 HydrophobicContact CD2-CG2 3.97Å
173	E	92.2	Very high	91	Very high	71 Å²	71	43.7 Å²	43.7	33%	0.332	22%	0.223	S	C	.	.			trans	-66	114.5	173.9	-173	173	-172.8	0	0	109.8	I171 H216 S472 L473	I171-E173 PolarHBondContact O-N 3.35Å; E173-H216 PolarHBondContact O-NE2 2.63Å; E173-S472 WeakPolarHBondContact OE1-CA 3.49Å; E173-L473 HydrophobicContact CG-CB 4.4Å; E173-L473 PolarHBondContact OE1-N 3.04Å
174	T	91.8	Very high	91.1	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.018	19%	0.193	C	C	.	.			trans	-89.3	-19	-178.5	65.5	0	0	0	0	112.6	L172 I176 V179 D180 Y185 L208 N211	L172-T174 PolarHBondContact O-N 3.44Å; T174-I176 PolarHBondContact OG1-N 3.35Å; T174-V179 HydrophobicContact CG2-CG1 4.02Å; T174-D180 WeakPolarHBondContact CB-OD1 3.49Å; T174-D180 PolarHBondContact N-OD1 3.39Å; T174-D180 PolarHBondContact N-OD2 2.78Å; T174-D180 VanDerWaalsContact OG1-CG 3.25Å; T174-D180 PolarHBondContact OG1-OD1 3.28Å; T174-D180 PolarHBondContact OG1-OD2 2.98Å; T174-Y185 HydrophobicContact CG2-CD2 3.6Å; T174-Y185 HydrophobicContact CG2-CE2 4.02Å; T174-Y185 HydrophobicContact CG2-CG 4.24Å; T174-L208 HydrophobicContact CG2-CD2 3.7Å; T174-N211 VanDerWaalsContact O-CB 3.26Å; T174-N211 WeakPolarHBondContact O-CB 3.4Å; T174-N211 PolarHBondContact O-ND2 2.71Å
175	G	91.8	Very high	91.5	Very high	2 Å²	2	33 Å²	33	2%	0.021	17%	0.17	C	C	.	.	S	Bend	trans	77.9	9.2	-173.2	0	0	0	0	0	113.3	D180 Q455 V471	G175-D180 WeakPolarHBondContact CA-OD2 3.44Å; G175-D180 PolarHBondContact N-OD2 2.9Å; G175-Q455 PolarHBondContact O-NE2 3.17Å; G175-V471 CarbonylContact C-O 3.57Å; G175-V471 WeakPolarHBondContact CA-O 3.08Å; G175-V471 PolarHBondContact O-N 3.36Å
176	I	93.6	Very high	91.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.163	C	C	.	.			trans	-107.3	113.6	-179.2	-58.5	178.8	0	0	0	108.8	T174 V178 V179 D180 L204 E207 L208 P385 F457	T174-I176 PolarHBondContact OG1-N 3.35Å; I176-V178 HydrophobicContact CG2-CG1 3.9Å; I176-V178 PolarHBondContact O-N 2.89Å; I176-V179 HydrophobicContact CB-CB 4.2Å; I176-V179 HydrophobicContact CB-CG2 4.22Å; I176-V179 HydrophobicContact CG2-CB 4.3Å; I176-V179 HydrophobicContact CG2-CG2 3.93Å; I176-V179 PolarHBondContact O-N 3.08Å; I176-D180 PolarHBondContact N-OD2 3.39Å; I176-D180 PolarHBondContact O-N 3.03Å; I176-L204 HydrophobicContact CD1-CD1 3.49Å; I176-L204 VanDerWaalsContact CD1-CD1 3.49Å; I176-E207 HydrophobicContact CD1-CG 4.17Å; I176-L208 HydrophobicContact CD1-CD2 3.78Å; I176-L208 HydrophobicContact CD1-CG 4.19Å; I176-P385 HydrophobicContact CG2-CG 4.15Å; I176-F457 HydrophobicContact CD1-CE1 4.13Å; I176-F457 HydrophobicContact CD1-CZ 4.04Å; I176-F457 HydrophobicContact CG1-CE1 4.16Å; I176-F457 HydrophobicContact CG2-CE1 4.23Å; I176-F457 HydrophobicContact CG2-CZ 4.34Å
177	K	94.7	Very high	91.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-48.9	-50	-172.7	-73.6	-175.2	-73.3	-174.3	0	114.1	L181 F452 S454 V471 F480 V499 G500	K177-L181 WeakPolarHBondContact O-CB 3.49Å; K177-L181 PolarHBondContact O-N 3.05Å; K177-F452 HydrophobicContact CD-CE1 4.36Å; K177-F452 HydrophobicContact CD-CZ 4.22Å; K177-F452 WeakPolarHBondContact CE-O 3.18Å; K177-F452 PolarHBondContact NZ-O 2.85Å; K177-S454 WeakPolarHBondContact CE-O 3.33Å; K177-S454 PolarHBondContact NZ-O 3.43Å; K177-S454 VanDerWaalsContact NZ-O 3.13Å; K177-V471 HydrophobicContact CD-CB 4.44Å; K177-V471 HydrophobicContact CD-CG1 4.21Å; K177-V471 HydrophobicContact CD-CG2 4.23Å; K177-V471 HydrophobicContact CG-CB 3.93Å; K177-V471 HydrophobicContact CG-CG1 3.94Å; K177-V471 HydrophobicContact CG-CG2 4.12Å; K177-F480 HydrophobicContact CB-CE2 4.32Å; K177-V499 PolarHBondContact NZ-O 3.43Å; K177-G500 WeakPolarHBondContact CD-O 3.39Å; K177-G500 WeakPolarHBondContact CE-O 3.46Å; K177-G500 PolarHBondContact NZ-O 2.83Å
178	V	93.7	Very high	92.1	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.018	12%	0.124	C	C	.	.	H	α-helix	trans	-67	-38.1	-176.7	64.2	0	0	0	0	112.4	I176 L182 P385 V387 L453	I176-V178 HydrophobicContact CG2-CG1 3.9Å; I176-V178 PolarHBondContact O-N 2.89Å; V178-L182 HydrophobicContact CG2-CD1 4.2Å; V178-L182 WeakPolarHBondContact O-CB 3.41Å; V178-L182 PolarHBondContact O-N 3.38Å; V178-L182 VanDerWaalsContact O-N 3.12Å; V178-P385 HydrophobicContact CG1-CG 3.71Å; V178-V387 HydrophobicContact CG1-CB 3.83Å; V178-V387 HydrophobicContact CG1-CG1 4.16Å; V178-V387 HydrophobicContact CG1-CG2 4Å; V178-V387 HydrophobicContact CG2-CB 3.84Å; V178-V387 HydrophobicContact CG2-CG1 3.59Å; V178-L453 HydrophobicContact CB-CD2 3.87Å; V178-L453 HydrophobicContact CG2-CD2 4Å
179	V	94.4	Very high	92.5	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-72.5	-54.9	-179.7	175.7	0	0	0	0	109.2	T174 I176 L181 A183 P184 Y185	T174-V179 HydrophobicContact CG2-CG1 4.02Å; I176-V179 HydrophobicContact CB-CB 4.2Å; I176-V179 HydrophobicContact CB-CG2 4.22Å; I176-V179 HydrophobicContact CG2-CB 4.3Å; I176-V179 HydrophobicContact CG2-CG2 3.93Å; I176-V179 PolarHBondContact O-N 3.08Å; V179-L181 VanDerWaalsContact C-N 3.29Å; V179-L181 PolarHBondContact O-N 3.04Å; V179-A183 CarbonylContact O-C 3.15Å; V179-A183 WeakPolarHBondContact O-CA 3.32Å; V179-A183 PolarHBondContact O-N 2.95Å; V179-A183 VanDerWaalsContact O-O 3.13Å; V179-P184 WeakPolarHBondContact O-CA 3.46Å; V179-Y185 HydrophobicContact CG1-CD1 3.72Å; V179-Y185 HydrophobicContact CG1-CD2 4.2Å; V179-Y185 HydrophobicContact CG1-CE1 3.39Å; V179-Y185 HydrophobicContact CG1-CE2 3.91Å; V179-Y185 HydrophobicContact CG1-CG 4.11Å; V179-Y185 VanDerWaalsContact CG1-CZ 3.48Å
180	D	95	Very high	93	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-63.7	-34.7	-175.3	-67.5	-18.6	0	0	0	112	T174 G175 I176 H406 L473	T174-D180 WeakPolarHBondContact CB-OD1 3.49Å; T174-D180 PolarHBondContact N-OD1 3.39Å; T174-D180 PolarHBondContact N-OD2 2.78Å; T174-D180 VanDerWaalsContact OG1-CG 3.25Å; T174-D180 PolarHBondContact OG1-OD1 3.28Å; T174-D180 PolarHBondContact OG1-OD2 2.98Å; G175-D180 WeakPolarHBondContact CA-OD2 3.44Å; G175-D180 PolarHBondContact N-OD2 2.9Å; I176-D180 PolarHBondContact N-OD2 3.39Å; I176-D180 PolarHBondContact O-N 3.03Å; D180-H406 PolarHBondContact O-CE1 3.06Å; D180-H406 PolarHBondContact O-NE2 3.42Å; D180-H406 VanDerWaalsContact O-NE2 3.08Å; D180-L473 HydrophobicContact CB-CD1 3.99Å
181	L	95.3	Very high	93.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-77.1	-52.3	177.4	-173.1	76.1	0	0	0	113.2	K177 V179 H406 V409 A410 V413 I477 F480	K177-L181 WeakPolarHBondContact O-CB 3.49Å; K177-L181 PolarHBondContact O-N 3.05Å; V179-L181 VanDerWaalsContact C-N 3.29Å; V179-L181 PolarHBondContact O-N 3.04Å; L181-H406 PolarHBondContact O-NE2 2.96Å; L181-V409 HydrophobicContact CD1-CG1 4.02Å; L181-A410 HydrophobicContact CD1-CB 4.48Å; L181-A410 HydrophobicContact CG-CB 4.3Å; L181-V413 HydrophobicContact CD2-CB 4.48Å; L181-V413 HydrophobicContact CD2-CG2 3.92Å; L181-I477 HydrophobicContact CD1-CG1 4.12Å; L181-F480 HydrophobicContact CD1-CD2 4.36Å; L181-F480 HydrophobicContact CD2-CB 4.16Å; L181-F480 HydrophobicContact CD2-CD1 4.16Å; L181-F480 HydrophobicContact CD2-CD2 3.36Å; L181-F480 HydrophobicContact CD2-CE1 4.46Å; L181-F480 HydrophobicContact CD2-CE2 3.75Å; L181-F480 HydrophobicContact CD2-CG 3.62Å; L181-F480 HydrophobicContact CD2-CZ 4.29Å; L181-F480 HydrophobicContact CG-CD2 4.34Å
182	L	94.6	Very high	93.5	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-102.6	-31.4	-164.1	-59.9	177.3	0	0	0	113.9	V178 P184 P389 A410 V413 Q414 L453	V178-L182 HydrophobicContact CG2-CD1 4.2Å; V178-L182 WeakPolarHBondContact O-CB 3.41Å; V178-L182 PolarHBondContact O-N 3.38Å; V178-L182 VanDerWaalsContact O-N 3.12Å; L182-P184 VanDerWaalsContact C-CD 3.45Å; L182-P389 HydrophobicContact CD1-CB 3.21Å; L182-A410 HydrophobicContact CD2-CB 4.16Å; L182-V413 HydrophobicContact CD1-CG1 4.46Å; L182-V413 HydrophobicContact CD2-CB 4.35Å; L182-V413 HydrophobicContact CD2-CG1 4.13Å; L182-Q414 HydrophobicContact CD2-CG 4.16Å; L182-L453 HydrophobicContact CD1-CD2 4.38Å
183	A	94.5	Very high	93.6	Very high	1 Å²	1	8 Å²	8	1%	0.008	4%	0.041	C	C	.	.	S	Bend	trans	-133.7	59.4	-179.9	0	0	0	0	0	110.4	V179 Y185	V179-A183 CarbonylContact O-C 3.15Å; V179-A183 WeakPolarHBondContact O-CA 3.32Å; V179-A183 PolarHBondContact O-N 2.95Å; V179-A183 VanDerWaalsContact O-O 3.13Å; A183-Y185 WeakPolarHBondContact O-CD1 3.16Å; A183-Y185 WeakPolarHBondContact O-CE1 3.41Å; A183-Y185 PolarHBondContact O-N 2.96Å
184	P	95.1	Very high	93.4	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	P	Polyproline II helix	trans	-58.7	137.9	-174.8	21.6	-32.5	0	0	0	110.9	I171 V179 L182 S394 I396 L397 V402	I171-P184 HydrophobicContact CG2-CB 4.09Å; V179-P184 WeakPolarHBondContact O-CA 3.46Å; L182-P184 VanDerWaalsContact C-CD 3.45Å; P184-S394 WeakPolarHBondContact O-CB 3.41Å; P184-S394 PolarHBondContact O-OG 2.87Å; P184-I396 HydrophobicContact CB-CD1 3.84Å; P184-I396 HydrophobicContact CB-CG1 4.39Å; P184-I396 HydrophobicContact CG-CD1 3.99Å; P184-I396 HydrophobicContact CG-CG1 4.04Å; P184-I396 WeakPolarHBondContact O-CD1 3.47Å; P184-I396 WeakPolarHBondContact O-CG1 3.45Å; P184-L397 HydrophobicContact CG-CD1 4.31Å; P184-V402 HydrophobicContact CG-CG1 4.18Å
185	Y	94.6	Very high	93.1	Very high	2 Å²	2	6.6 Å²	6.6	1%	0.008	4%	0.039	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	139.7	179.8	-67.6	-2.8	0	0	0	110	I171 L172 T174 V179 A183 I191 L208 V346 A370 T372	I171-Y185 CarbonylContact C-O 3.58Å; I171-Y185 WeakPolarHBondContact CA-O 3.13Å; L172-Y185 PolarHBondContact N-O 2.78Å; T174-Y185 HydrophobicContact CG2-CD2 3.6Å; T174-Y185 HydrophobicContact CG2-CE2 4.02Å; T174-Y185 HydrophobicContact CG2-CG 4.24Å; V179-Y185 HydrophobicContact CG1-CD1 3.72Å; V179-Y185 HydrophobicContact CG1-CD2 4.2Å; V179-Y185 HydrophobicContact CG1-CE1 3.39Å; V179-Y185 HydrophobicContact CG1-CE2 3.91Å; V179-Y185 HydrophobicContact CG1-CG 4.11Å; V179-Y185 VanDerWaalsContact CG1-CZ 3.48Å; A183-Y185 WeakPolarHBondContact O-CD1 3.16Å; A183-Y185 WeakPolarHBondContact O-CE1 3.41Å; A183-Y185 PolarHBondContact O-N 2.96Å; Y185-I191 HydrophobicContact CD1-CD1 4.44Å; Y185-I191 HydrophobicContact CD1-CG1 3.64Å; Y185-I191 HydrophobicContact CD1-CG2 4.16Å; Y185-I191 HydrophobicContact CD2-CD1 4.19Å; Y185-I191 HydrophobicContact CD2-CG1 4.06Å; Y185-I191 HydrophobicContact CE1-CB 4.33Å; Y185-I191 HydrophobicContact CE1-CG1 3.89Å; Y185-I191 HydrophobicContact CE1-CG2 3.51Å; Y185-I191 HydrophobicContact CE2-CG1 4.29Å; Y185-I191 HydrophobicContact CE2-CG2 4.31Å; Y185-I191 HydrophobicContact CG-CD1 4.05Å; Y185-I191 HydrophobicContact CG-CG1 3.75Å; Y185-L208 HydrophobicContact CE2-CD1 4.15Å; Y185-L208 HydrophobicContact CE2-CD2 4.24Å; Y185-V346 HydrophobicContact CE2-CG2 4.32Å; Y185-A370 HydrophobicContact CD1-CB 4.39Å; Y185-T372 PolarHBondContact OH-OG1 2.96Å
186	V	92.1	Very high	92.6	Very high	14 Å²	14	8.2 Å²	8.2	9%	0.085	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	137.6	173.8	62.3	0	0	0	0	109.7	E170 G188 G189 D369 I396	E170-V186 WeakPolarHBondContact O-CA 3.44Å; V186-G188 PolarHBondContact O-N 3.16Å; V186-G189 VanDerWaalsContact CG1-CA 3.48Å; V186-G189 WeakPolarHBondContact O-CA 3.46Å; V186-G189 PolarHBondContact O-N 3.42Å; V186-D369 HydrophobicContact CG1-CB 3.76Å; V186-I396 HydrophobicContact CB-CD1 4.17Å; V186-I396 HydrophobicContact CB-CG2 4.05Å; V186-I396 HydrophobicContact CG2-CG2 4.25Å
187	K	90.6	Very high	92	Very high	45 Å²	45	12.4 Å²	12.4	20%	0.196	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	131.2	172.5	-70.8	-168.6	-173.7	173.6	0	110.4	E170 L172 G189 D289	E170-K187 HydrophobicContact CB-CB 4.46Å; E170-K187 HydrophobicContact CB-CD 3.97Å; E170-K187 HydrophobicContact CB-CG 4.22Å; E170-K187 PolarHBondContact O-N 2.85Å; E170-K187 WeakPolarHBondContact OE2-CD 3.3Å; E170-K187 WeakPolarHBondContact OE2-CE 3.37Å; E170-K187 IonicContact OE2-NZ 3.1Å; E170-K187 PolarHBondContact OE2-NZ 2.86Å; L172-K187 HydrophobicContact CB-CG 3.99Å; L172-K187 HydrophobicContact CD1-CG 4.4Å; K187-G189 PolarHBondContact O-N 3.45Å; K187-D289 IonicContact NZ-OD2 3.31Å
188	G	91.5	Very high	91.4	Very high	7 Å²	7	16 Å²	16	7%	0.072	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	77	5.6	-172	0	0	0	0	0	113.9	V186 I343 T344	V186-G188 PolarHBondContact O-N 3.16Å; G188-I343 CarbonylContact C-O 3.41Å; G188-I343 VanDerWaalsContact CA-O 3.29Å; G188-I343 WeakPolarHBondContact CA-O 3.41Å; G188-T344 PolarHBondContact N-OG1 3.23Å
189	G	92.2	Very high	91.1	Very high	1 Å²	1	16 Å²	16	1%	0.01	13%	0.128	C	C	.	.			trans	-81.1	168	-176.1	0	0	0	0	0	114.9	V186 K187 T344 S345 D369	V186-G189 VanDerWaalsContact CG1-CA 3.48Å; V186-G189 WeakPolarHBondContact O-CA 3.46Å; V186-G189 PolarHBondContact O-N 3.42Å; K187-G189 PolarHBondContact O-N 3.45Å; G189-T344 CarbonylContact O-C 3.58Å; G189-T344 WeakPolarHBondContact O-CA 3.33Å; G189-S345 PolarHBondContact O-N 2.97Å; G189-D369 VanDerWaalsContact CA-OD2 3.25Å; G189-D369 WeakPolarHBondContact CA-OD2 3.28Å
190	K	95.2	Very high	90.8	Very high	20 Å²	20	17 Å²	17	9%	0.087	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	108.4	176.7	-59.4	157.5	-173.1	87.5	0	109.4	Q332 I335 S345 H367 L368 D369 A370	K190-Q332 HydrophobicContact CD-CB 4.47Å; K190-Q332 WeakPolarHBondContact CE-O 3.35Å; K190-I335 WeakPolarHBondContact CE-O 3.42Å; K190-I335 HydrophobicContact CG-CB 4.36Å; K190-I335 HydrophobicContact CG-CG2 3.96Å; K190-I335 PolarHBondContact NZ-O 3.5Å; K190-S345 WeakPolarHBondContact CA-OG 3.48Å; K190-H367 HydrophobicContact CD-CB 4.02Å; K190-H367 WeakPolarHBondContact CD-O 3.42Å; K190-L368 HydrophobicContact CB-CD2 4.18Å; K190-L368 CarbonylContact O-C 3.56Å; K190-L368 WeakPolarHBondContact O-CA 3.37Å; K190-D369 PolarHBondContact N-OD2 3.24Å; K190-D369 PolarHBondContact O-N 2.87Å; K190-A370 PolarHBondContact O-N 3.13Å
191	I	95.3	Very high	90.4	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.9	-176.3	-59.8	88.3	0	0	0	109.4	Y185 T344 S345 V346 Q347 A370	Y185-I191 HydrophobicContact CD1-CD1 4.44Å; Y185-I191 HydrophobicContact CD1-CG1 3.64Å; Y185-I191 HydrophobicContact CD1-CG2 4.16Å; Y185-I191 HydrophobicContact CD2-CD1 4.19Å; Y185-I191 HydrophobicContact CD2-CG1 4.06Å; Y185-I191 HydrophobicContact CE1-CB 4.33Å; Y185-I191 HydrophobicContact CE1-CG1 3.89Å; Y185-I191 HydrophobicContact CE1-CG2 3.51Å; Y185-I191 HydrophobicContact CE2-CG1 4.29Å; Y185-I191 HydrophobicContact CE2-CG2 4.31Å; Y185-I191 HydrophobicContact CG-CD1 4.05Å; Y185-I191 HydrophobicContact CG-CG1 3.75Å; I191-T344 HydrophobicContact CD1-CG2 3.42Å; I191-T344 VanDerWaalsContact CD1-CG2 3.42Å; I191-S345 WeakPolarHBondContact CB-O 3.4Å; I191-S345 WeakPolarHBondContact CD1-O 3.46Å; I191-S345 PolarHBondContact N-O 3.37Å; I191-V346 HydrophobicContact CB-CG2 4.38Å; I191-Q347 PolarHBondContact O-N 3.34Å; I191-A370 CarbonylContact C-O 2.89Å; I191-A370 WeakPolarHBondContact CA-O 3.42Å; I191-A370 HydrophobicContact CG1-CB 4.26Å
192	G	94.4	Very high	89.9	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.6	169.6	0	0	0	0	0	111.6	A370 T371 T372	G192-A370 PolarHBondContact N-O 3.44Å; G192-T371 CarbonylContact O-C 3.51Å; G192-T371 WeakPolarHBondContact O-CA 3.39Å; G192-T372 PolarHBondContact O-N 2.73Å
193	L	92.6	Very high	89.5	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.5	174	-165.4	69.8	0	0	0	109.9	K201 L204 I205 V346 Q347 A348 I349 T372 L374	L193-K201 HydrophobicContact CD2-CB 4.33Å; L193-K201 HydrophobicContact CD2-CG 4.49Å; L193-L204 HydrophobicContact CD1-CD2 3.85Å; L193-I205 HydrophobicContact CD2-CD1 4.08Å; L193-I205 HydrophobicContact CD2-CG1 4.02Å; L193-V346 HydrophobicContact CB-CG1 4.2Å; L193-V346 HydrophobicContact CD2-CG1 4.38Å; L193-Q347 PolarHBondContact N-O 3.36Å; L193-A348 WeakPolarHBondContact O-CA 3.18Å; L193-I349 PolarHBondContact O-N 3.27Å; L193-T372 WeakPolarHBondContact CA-O 3.42Å; L193-T372 HydrophobicContact CD1-CG2 3.91Å; L193-L374 HydrophobicContact CD1-CD1 3.41Å; L193-L374 VanDerWaalsContact CD1-CD1 3.41Å; L193-L374 HydrophobicContact CD2-CD1 4.4Å; L193-L374 HydrophobicContact CG-CD1 3.75Å
194	F	89.5	Confident	89.4	Confident	21 Å²	21	23.7 Å²	23.7	9%	0.092	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.6	179.1	-60.6	-92.2	0	0	0	109.7	I349 V351 F365 L368 T371 T372 V373 L374	F194-I349 HydrophobicContact CD1-CB 4.05Å; F194-I349 HydrophobicContact CD1-CG2 4.19Å; F194-I349 HydrophobicContact CE1-CB 3.53Å; F194-I349 HydrophobicContact CE1-CD1 3.99Å; F194-I349 HydrophobicContact CE1-CG1 4.36Å; F194-I349 HydrophobicContact CE1-CG2 3.43Å; F194-I349 VanDerWaalsContact CE1-CG2 3.43Å; F194-I349 HydrophobicContact CE2-CD1 3.98Å; F194-I349 HydrophobicContact CZ-CB 3.82Å; F194-I349 HydrophobicContact CZ-CD1 3.35Å; F194-I349 HydrophobicContact CZ-CG1 4.17Å; F194-I349 HydrophobicContact CZ-CG2 3.98Å; F194-V351 HydrophobicContact CD1-CG2 4.02Å; F194-V351 HydrophobicContact CE1-CG2 3.98Å; F194-F365 AromaticContact CE1-CE1 3.65Å; F194-F365 HydrophobicContact CE1-CE1 3.65Å; F194-F365 AromaticContact CE1-CZ 3.49Å; F194-F365 HydrophobicContact CE1-CZ 3.49Å; F194-F365 VanDerWaalsContact CE1-CZ 3.49Å; F194-F365 AromaticContact CE2-CE1 3.9Å; F194-F365 HydrophobicContact CE2-CE1 3.9Å; F194-F365 HydrophobicContact CZ-CD1 4.08Å; F194-F365 AromaticContact CZ-CE1 3.08Å; F194-F365 HydrophobicContact CZ-CE1 3.08Å; F194-F365 AromaticContact CZ-CZ 3.48Å; F194-F365 HydrophobicContact CZ-CZ 3.48Å; F194-F365 VanDerWaalsContact CZ-CZ 3.48Å; F194-L368 HydrophobicContact CZ-CD1 4.34Å; F194-T371 HydrophobicContact CE2-CG2 3.86Å; F194-T372 PolarHBondContact N-O 3.25Å; F194-V373 HydrophobicContact CB-CB 4.41Å; F194-V373 HydrophobicContact CB-CG1 4.3Å; F194-V373 HydrophobicContact CB-CG2 4.14Å; F194-V373 HydrophobicContact CD2-CG2 4.2Å; F194-V373 HydrophobicContact CG-CG2 4.41Å; F194-L374 WeakPolarHBondContact O-CD1 3.3Å; F194-L374 PolarHBondContact O-N 2.96Å
195	G	85.2	Confident	89.1	Confident	22 Å²	22	24 Å²	24	23%	0.227	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.5	146.4	173.4	0	0	0	0	0	113.3	K201 L374	G195-K201 WeakPolarHBondContact O-CE 3.39Å; G195-K201 PolarHBondContact O-NZ 3.13Å; G195-L374 WeakPolarHBondContact CA-O 3.25Å
196	G	80.1	Confident	88.8	Confident	37 Å²	37	24 Å²	24	38%	0.381	18%	0.177	S	C	.	.			trans	-68.7	-178.5	175.9	0	0	0	0	0	113.4	V199	G196-V199 WeakPolarHBondContact O-CG2 3.46Å
197	A	80.8	Confident	88.7	Confident	87 Å²	87	23.3 Å²	23.3	72%	0.719	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	142.6	169	0	0	0	0	0	110.6	V199	A197-V199 VanDerWaalsContact C-N 3.33Å; A197-V199 PolarHBondContact O-N 3.13Å
198	G	83.2	Confident	88.7	Confident	77 Å²	77	21.3 Å²	21.3	79%	0.794	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.5	-0.1	172.4	0	0	0	0	0	116.6	G200	G198-G200 PolarHBondContact O-N 3.19Å
199	V	86.8	Confident	88.6	Confident	3 Å²	3	21 Å²	21	2%	0.018	16%	0.161	C	C	.	.	S	Bend	trans	-81.4	4.5	-180	-56.6	0	0	0	0	114.4	G196 A197 K201 L374 R376	G196-V199 WeakPolarHBondContact O-CG2 3.46Å; A197-V199 VanDerWaalsContact C-N 3.33Å; A197-V199 PolarHBondContact O-N 3.13Å; V199-K201 HydrophobicContact CG2-CG 3.82Å; V199-L374 HydrophobicContact CB-CB 4.04Å; V199-L374 HydrophobicContact CG2-CB 3.46Å; V199-L374 VanDerWaalsContact CG2-CB 3.46Å; V199-L374 HydrophobicContact CG2-CD2 4.12Å; V199-L374 HydrophobicContact CG2-CG 4.35Å; V199-L374 WeakPolarHBondContact O-CD2 3.16Å; V199-R376 HydrophobicContact CG1-CB 4.37Å
200	G	87.5	Confident	88.3	Confident	20 Å²	20	21.7 Å²	21.7	21%	0.206	17%	0.165	C	C	.	.	S	Bend	trans	88.8	20.5	178.1	0	0	0	0	0	116.1	G198 T202 V203 L204	G198-G200 PolarHBondContact O-N 3.19Å; G200-T202 PolarHBondContact O-N 3.33Å; G200-V203 PolarHBondContact O-N 3.42Å; G200-L204 PolarHBondContact O-N 3.36Å
201	K	87.1	Confident	87.9	Confident	39 Å²	39	20.9 Å²	20.9	17%	0.17	16%	0.162	C	C	.	.	H	α-helix	trans	-53	-49.1	177.9	-66.3	-168.5	-65.3	-173.5	0	113	L193 G195 V199 V203 L204 I205 L374	L193-K201 HydrophobicContact CD2-CB 4.33Å; L193-K201 HydrophobicContact CD2-CG 4.49Å; G195-K201 WeakPolarHBondContact O-CE 3.39Å; G195-K201 PolarHBondContact O-NZ 3.13Å; V199-K201 HydrophobicContact CG2-CG 3.82Å; K201-V203 VanDerWaalsContact C-N 3.33Å; K201-V203 PolarHBondContact O-N 3.34Å; K201-L204 PolarHBondContact O-N 2.84Å; K201-I205 WeakPolarHBondContact O-CG1 3.47Å; K201-I205 PolarHBondContact O-N 3.32Å; K201-L374 HydrophobicContact CG-CD1 4.14Å; K201-L374 HydrophobicContact CG-CD2 4.37Å
202	T	84.6	Confident	87.4	Confident	58 Å²	58	21.2 Å²	21.2	36%	0.356	16%	0.164	S	C	.	.	H	α-helix	trans	-60.4	-43.4	179.9	-48.4	0	0	0	0	111.6	G200 L204 I205 M206 L235	G200-T202 PolarHBondContact O-N 3.33Å; T202-L204 VanDerWaalsContact C-N 3.35Å; T202-L204 PolarHBondContact O-N 2.92Å; T202-I205 PolarHBondContact O-N 3.11Å; T202-M206 HydrophobicContact CG2-CE 4.27Å; T202-M206 WeakPolarHBondContact O-CG 3.47Å; T202-M206 PolarHBondContact O-N 3.34Å; T202-L235 HydrophobicContact CG2-CD1 3.64Å
203	V	87.8	Confident	86.7	Confident	43 Å²	43	22.1 Å²	22.1	26%	0.261	17%	0.171	S	C	.	.	H	α-helix	trans	-63.2	-43.1	178.3	-170.2	0	0	0	0	110.6	G200 K201 M206 E207 F457 V459 A460	G200-V203 PolarHBondContact O-N 3.42Å; K201-V203 VanDerWaalsContact C-N 3.33Å; K201-V203 PolarHBondContact O-N 3.34Å; V203-M206 PolarHBondContact O-N 2.83Å; V203-E207 WeakPolarHBondContact O-CB 3.44Å; V203-E207 PolarHBondContact O-N 3.39Å; V203-F457 HydrophobicContact CG1-CD2 3.91Å; V203-V459 HydrophobicContact CG1-CG2 3.87Å; V203-A460 HydrophobicContact CG1-CB 4.1Å
204	L	90.8	Very high	86	Confident	2 Å²	2	29.3 Å²	29.3	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-63.2	-42.7	176.1	-179.8	60.8	0	0	0	112	I176 L193 G200 K201 T202 E207 L208 T372 L374 V387 F457	I176-L204 HydrophobicContact CD1-CD1 3.49Å; I176-L204 VanDerWaalsContact CD1-CD1 3.49Å; L193-L204 HydrophobicContact CD1-CD2 3.85Å; G200-L204 PolarHBondContact O-N 3.36Å; K201-L204 PolarHBondContact O-N 2.84Å; T202-L204 VanDerWaalsContact C-N 3.35Å; T202-L204 PolarHBondContact O-N 2.92Å; L204-E207 PolarHBondContact O-N 3.5Å; L204-L208 HydrophobicContact CD1-CG 4.44Å; L204-L208 HydrophobicContact CG-CD1 4.32Å; L204-L208 VanDerWaalsContact O-CG 3.27Å; L204-L208 WeakPolarHBondContact O-CG 3.14Å; L204-L208 PolarHBondContact O-N 3.11Å; L204-T372 HydrophobicContact CD2-CG2 4.48Å; L204-L374 HydrophobicContact CD2-CD1 4.11Å; L204-L374 HydrophobicContact CD2-CD2 4.13Å; L204-L374 HydrophobicContact CD2-CG 4.45Å; L204-V387 HydrophobicContact CD2-CG2 4.36Å; L204-F457 HydrophobicContact CD1-CE2 4.22Å; L204-F457 HydrophobicContact CD1-CZ 3.98Å
205	I	89.6	Confident	85.3	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.026	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-47.9	175.8	-73	168.6	0	0	0	110.9	L193 K201 T202 E207 L208 I209 F222 F293	L193-I205 HydrophobicContact CD2-CD1 4.08Å; L193-I205 HydrophobicContact CD2-CG1 4.02Å; K201-I205 WeakPolarHBondContact O-CG1 3.47Å; K201-I205 PolarHBondContact O-N 3.32Å; T202-I205 PolarHBondContact O-N 3.11Å; I205-E207 VanDerWaalsContact C-N 3.34Å; I205-E207 PolarHBondContact O-N 3.09Å; I205-L208 PolarHBondContact O-N 3.13Å; I205-I209 HydrophobicContact CG2-CD1 3.97Å; I205-I209 WeakPolarHBondContact O-CG1 3.29Å; I205-I209 PolarHBondContact O-N 2.88Å; I205-F222 HydrophobicContact CG2-CD2 4.36Å; I205-F222 HydrophobicContact CG2-CE2 4.3Å; I205-F293 HydrophobicContact CB-CD1 4.22Å; I205-F293 HydrophobicContact CB-CE1 4.27Å; I205-F293 HydrophobicContact CG1-CD1 4Å; I205-F293 HydrophobicContact CG1-CE1 4.25Å; I205-F293 HydrophobicContact CG2-CD1 3.52Å; I205-F293 HydrophobicContact CG2-CE1 3.77Å; I205-F293 HydrophobicContact CG2-CG 3.99Å; I205-F293 HydrophobicContact CG2-CZ 4.45Å
206	M	88.1	Confident	84.7	Confident	2 Å²	2	33.9 Å²	33.9	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-40.7	178.9	-70.8	-170.4	-65.7	0	0	112.3	T202 V203 I209 N210 L235 E238 V459	T202-M206 HydrophobicContact CG2-CE 4.27Å; T202-M206 WeakPolarHBondContact O-CG 3.47Å; T202-M206 PolarHBondContact O-N 3.34Å; V203-M206 PolarHBondContact O-N 2.83Å; M206-I209 PolarHBondContact O-N 3.46Å; M206-N210 PolarHBondContact O-N 3.27Å; M206-L235 HydrophobicContact CG-CD1 3.78Å; M206-L235 HydrophobicContact SD-CD1 3.8Å; M206-E238 HydrophobicContact CE-CB 4.34Å; M206-E238 WeakPolarHBondContact CE-OE2 3.38Å; M206-E238 HydrophobicContact SD-CB 3.78Å; M206-V459 HydrophobicContact CB-CB 4.26Å; M206-V459 HydrophobicContact CB-CG1 4.07Å; M206-V459 HydrophobicContact CB-CG2 4.12Å
207	E	90.6	Very high	84.4	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-63.6	-43	176.8	-175.2	69	176.9	0	0	111.1	I176 V203 L204 I205 I209 N210 N211 F457 Q458 V459	I176-E207 HydrophobicContact CD1-CG 4.17Å; V203-E207 WeakPolarHBondContact O-CB 3.44Å; V203-E207 PolarHBondContact O-N 3.39Å; L204-E207 PolarHBondContact O-N 3.5Å; I205-E207 VanDerWaalsContact C-N 3.34Å; I205-E207 PolarHBondContact O-N 3.09Å; E207-I209 VanDerWaalsContact C-N 3.33Å; E207-I209 PolarHBondContact O-N 2.77Å; E207-N210 PolarHBondContact O-N 2.83Å; E207-N211 WeakPolarHBondContact O-CB 3.34Å; E207-N211 VanDerWaalsContact O-CG 3.28Å; E207-N211 PolarHBondContact O-N 2.75Å; E207-N211 PolarHBondContact OE1-ND2 3.39Å; E207-N211 PolarHBondContact OE1-OD1 3.39Å; E207-F457 HydrophobicContact CB-CB 4.45Å; E207-F457 HydrophobicContact CB-CD1 4.46Å; E207-F457 HydrophobicContact CB-CD2 4.01Å; E207-F457 HydrophobicContact CB-CE2 4.26Å; E207-F457 HydrophobicContact CB-CG 4.09Å; E207-F457 HydrophobicContact CG-CB 4.07Å; E207-F457 HydrophobicContact CG-CD1 3.65Å; E207-F457 HydrophobicContact CG-CD2 4.09Å; E207-F457 HydrophobicContact CG-CE1 3.98Å; E207-F457 HydrophobicContact CG-CE2 4.38Å; E207-F457 HydrophobicContact CG-CG 3.69Å; E207-F457 HydrophobicContact CG-CZ 4.3Å; E207-Q458 PolarHBondContact OE1-N 3Å; E207-Q458 PolarHBondContact OE2-N 2.97Å; E207-V459 HydrophobicContact CB-CG2 3.92Å; E207-V459 WeakPolarHBondContact OE2-CG2 3.19Å; E207-V459 PolarHBondContact OE2-N 2.73Å; E207-V459 VanDerWaalsContact OE2-N 3.15Å
208	L	91	Very high	84.4	Confident	3 Å²	3	29.7 Å²	29.7	2%	0.016	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-42.8	175.2	-72.5	171.2	0	0	0	111.9	T174 I176 Y185 L204 I205 V212 F293 V346	T174-L208 HydrophobicContact CG2-CD2 3.7Å; I176-L208 HydrophobicContact CD1-CD2 3.78Å; I176-L208 HydrophobicContact CD1-CG 4.19Å; Y185-L208 HydrophobicContact CE2-CD1 4.15Å; Y185-L208 HydrophobicContact CE2-CD2 4.24Å; L204-L208 HydrophobicContact CD1-CG 4.44Å; L204-L208 HydrophobicContact CG-CD1 4.32Å; L204-L208 VanDerWaalsContact O-CG 3.27Å; L204-L208 WeakPolarHBondContact O-CG 3.14Å; L204-L208 PolarHBondContact O-N 3.11Å; I205-L208 PolarHBondContact O-N 3.13Å; L208-V212 WeakPolarHBondContact O-CB 3.46Å; L208-V212 WeakPolarHBondContact O-CG2 3.37Å; L208-V212 PolarHBondContact O-N 3.38Å; L208-F293 HydrophobicContact CB-CE1 4.29Å; L208-F293 HydrophobicContact CB-CZ 4.07Å; L208-F293 HydrophobicContact CD1-CE1 4.37Å; L208-V346 HydrophobicContact CD1-CG2 4.38Å
209	I	88.2	Confident	84.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.2	-48.1	175.4	-66.9	165.6	0	0	0	110.5	I205 M206 E207 A213 M239 V244 F293	I205-I209 HydrophobicContact CG2-CD1 3.97Å; I205-I209 WeakPolarHBondContact O-CG1 3.29Å; I205-I209 PolarHBondContact O-N 2.88Å; M206-I209 PolarHBondContact O-N 3.46Å; E207-I209 VanDerWaalsContact C-N 3.33Å; E207-I209 PolarHBondContact O-N 2.77Å; I209-A213 WeakPolarHBondContact O-CB 3.41Å; I209-A213 PolarHBondContact O-N 3.2Å; I209-A213 VanDerWaalsContact O-N 3.1Å; I209-M239 HydrophobicContact CD1-CE 3.66Å; I209-V244 HydrophobicContact CG2-CG1 3.59Å; I209-F293 HydrophobicContact CD1-CD2 4.04Å; I209-F293 HydrophobicContact CD1-CE2 3.84Å; I209-F293 HydrophobicContact CD1-CZ 4.26Å; I209-F293 HydrophobicContact CG1-CD2 3.94Å; I209-F293 HydrophobicContact CG1-CE1 4.43Å; I209-F293 HydrophobicContact CG1-CE2 3.22Å; I209-F293 HydrophobicContact CG1-CZ 3.51Å
210	N	86.4	Confident	85	Confident	16 Å²	16	28.5 Å²	28.5	9%	0.086	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-46.1	-179.1	176.8	64.6	0	0	0	112	M206 E207 A213 R214 Q458 V459	M206-N210 PolarHBondContact O-N 3.27Å; E207-N210 PolarHBondContact O-N 2.83Å; N210-A213 PolarHBondContact O-N 3.3Å; N210-R214 WeakPolarHBondContact O-CB 3.25Å; N210-R214 VanDerWaalsContact O-CG 3.3Å; N210-R214 WeakPolarHBondContact O-CG 3.26Å; N210-R214 PolarHBondContact O-N 2.74Å; N210-R214 PolarHBondContact OD1-NE 3.27Å; N210-Q458 PolarHBondContact ND2-OE1 2.98Å; N210-V459 HydrophobicContact CB-CG1 4.03Å
211	N	87.1	Confident	85.4	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-68.8	-44.2	-175.1	-70.7	-3.3	0	0	0	111.7	T174 E207 R214 A215 L470	T174-N211 VanDerWaalsContact O-CB 3.26Å; T174-N211 WeakPolarHBondContact O-CB 3.4Å; T174-N211 PolarHBondContact O-ND2 2.71Å; E207-N211 WeakPolarHBondContact O-CB 3.34Å; E207-N211 VanDerWaalsContact O-CG 3.28Å; E207-N211 PolarHBondContact O-N 2.75Å; E207-N211 PolarHBondContact OE1-ND2 3.39Å; E207-N211 PolarHBondContact OE1-OD1 3.39Å; N211-R214 PolarHBondContact O-N 3.13Å; N211-A215 VanDerWaalsContact O-CB 3.25Å; N211-A215 WeakPolarHBondContact O-CB 3.35Å; N211-A215 PolarHBondContact O-N 2.8Å; N211-L470 HydrophobicContact CB-CD1 4.33Å
212	V	83.2	Confident	85.8	Confident	7 Å²	7	25.9 Å²	25.9	4%	0.042	14%	0.144	C	C	.	.	H	α-helix	trans	-69.5	-37.7	178.4	173.1	0	0	0	0	111.6	L208 R214 H216 G217 L291	L208-V212 WeakPolarHBondContact O-CB 3.46Å; L208-V212 WeakPolarHBondContact O-CG2 3.37Å; L208-V212 PolarHBondContact O-N 3.38Å; V212-R214 VanDerWaalsContact C-N 3.29Å; V212-R214 PolarHBondContact O-N 3.44Å; V212-H216 HydrophobicContact CG1-CB 4.47Å; V212-H216 PolarHBondContact O-N 3.4Å; V212-G217 PolarHBondContact O-N 2.9Å; V212-L291 HydrophobicContact CB-CD1 3.73Å; V212-L291 HydrophobicContact CB-CG 4.43Å; V212-L291 HydrophobicContact CG1-CD1 3.91Å; V212-L291 HydrophobicContact CG1-CG 4.05Å; V212-L291 HydrophobicContact CG2-CD1 3.77Å
213	A	80.4	Confident	86.3	Confident	19 Å²	19	23.1 Å²	23.1	16%	0.157	13%	0.127	C	C	.	.	H	α-helix	trans	-63.1	-34.2	174.3	0	0	0	0	0	112.7	I209 N210 G217 K253	I209-A213 WeakPolarHBondContact O-CB 3.41Å; I209-A213 PolarHBondContact O-N 3.2Å; I209-A213 VanDerWaalsContact O-N 3.1Å; N210-A213 PolarHBondContact O-N 3.3Å; A213-G217 VanDerWaalsContact O-CA 3.24Å; A213-G217 WeakPolarHBondContact O-CA 3.49Å; A213-G217 PolarHBondContact O-N 2.89Å; A213-K253 HydrophobicContact CB-CB 4.25Å; A213-K253 HydrophobicContact CB-CG 4.16Å
214	R	78.2	Confident	86.6	Confident	151 Å²	151	21.1 Å²	21.1	57%	0.57	11%	0.114	S	C	*	.	H	α-helix	trans	-80	-43.1	177.8	-73.8	176.2	-179.2	-126.4	3.5	113.4	N210 N211 V212 Q458	N210-R214 WeakPolarHBondContact O-CB 3.25Å; N210-R214 VanDerWaalsContact O-CG 3.3Å; N210-R214 WeakPolarHBondContact O-CG 3.26Å; N210-R214 PolarHBondContact O-N 2.74Å; N210-R214 PolarHBondContact OD1-NE 3.27Å; N211-R214 PolarHBondContact O-N 3.13Å; V212-R214 VanDerWaalsContact C-N 3.29Å; V212-R214 PolarHBondContact O-N 3.44Å; R214-Q458 VanDerWaalsContact CZ-CD 3.49Å; R214-Q458 VanDerWaalsContact NH1-OE1 3.13Å
215	A	74.5	Confident	86.8	Confident	58 Å²	58	21 Å²	21	48%	0.479	11%	0.114	S	C	.	.	H	α-helix	trans	-77.4	-44.3	-175.2	0	0	0	0	0	112.3	N211	N211-A215 VanDerWaalsContact O-CB 3.25Å; N211-A215 WeakPolarHBondContact O-CB 3.35Å; N211-A215 PolarHBondContact O-N 2.8Å
216	H	73	Confident	86.8	Confident	81 Å²	81	20.9 Å²	20.9	38%	0.375	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-10.1	-171.9	-57.6	-70.4	0	0	0	113.4	E173 V212 G218	E173-H216 PolarHBondContact O-NE2 2.63Å; V212-H216 HydrophobicContact CG1-CB 4.47Å; V212-H216 PolarHBondContact O-N 3.4Å; H216-G218 PolarHBondContact O-N 3.33Å
217	G	72.7	Confident	86.8	Confident	34 Å²	34	22 Å²	22	35%	0.351	12%	0.119	S	C	.	.			trans	74.2	7.9	-177.1	0	0	0	0	0	114.6	V212 A213	V212-G217 PolarHBondContact O-N 2.9Å; A213-G217 VanDerWaalsContact O-CA 3.24Å; A213-G217 WeakPolarHBondContact O-CA 3.49Å; A213-G217 PolarHBondContact O-N 2.89Å
218	G	80.9	Confident	86.8	Confident	2 Å²	2	27.8 Å²	27.8	2%	0.021	14%	0.14	C	C	.	.			trans	-68.1	159.5	-174.4	0	0	0	0	0	114.4	H216 D289	H216-G218 PolarHBondContact O-N 3.33Å; G218-D289 WeakPolarHBondContact CA-O 3.35Å
219	Y	90.7	Very high	86.7	Confident	54 Å²	54	30.9 Å²	30.9	21%	0.212	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	154.1	173.1	-67.1	-64.2	0	0	0	111	L130 K253 F282 Q288 V290 L291	L130-Y219 HydrophobicContact CD1-CD1 3.68Å; L130-Y219 HydrophobicContact CD1-CE1 3.29Å; L130-Y219 HydrophobicContact CD2-CD1 3.71Å; L130-Y219 HydrophobicContact CD2-CE1 4.24Å; L130-Y219 HydrophobicContact CD2-CG 4.29Å; L130-Y219 HydrophobicContact CG-CD1 4.37Å; L130-Y219 HydrophobicContact CG-CE1 4.42Å; Y219-K253 HydrophobicContact CD1-CD 4.26Å; Y219-K253 HydrophobicContact CE1-CD 4.09Å; Y219-F282 AromaticContact CD2-CD1 3.7Å; Y219-F282 HydrophobicContact CD2-CD1 3.7Å; Y219-F282 HydrophobicContact CD2-CE1 4.03Å; Y219-F282 HydrophobicContact CD2-CG 4.28Å; Y219-F282 HydrophobicContact CE2-CD1 4.15Å; Y219-F282 HydrophobicContact CE2-CE1 4.26Å; Y219-F282 HydrophobicContact CG-CD1 4.32Å; Y219-F282 HydrophobicContact CG-CE1 4.4Å; Y219-Q288 HydrophobicContact CD2-CG 4.44Å; Y219-Q288 HydrophobicContact CE2-CG 4.48Å; Y219-V290 VanDerWaalsContact O-CA 3.3Å; Y219-V290 WeakPolarHBondContact O-CA 3.44Å; Y219-V290 WeakPolarHBondContact O-CG1 3.46Å; Y219-L291 PolarHBondContact O-N 3.06Å
220	S	93.2	Very high	86.9	Confident	1 Å²	1	37.8 Å²	37.8	1%	0.007	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.6	175.8	-64.1	0	0	0	0	110.8	K253 V254 S255 L291	S220-K253 PolarHBondContact N-O 2.79Å; S220-V254 CarbonylContact O-C 3.6Å; S220-V254 WeakPolarHBondContact O-CA 3.15Å; S220-S255 PolarHBondContact O-N 3.19Å; S220-L291 CarbonylContact C-O 3.56Å; S220-L291 VanDerWaalsContact CA-O 3.3Å; S220-L291 WeakPolarHBondContact CA-O 3.26Å
221	V	95	Very high	86.9	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	128.4	170	-176.3	0	0	0	0	107.8	S255 V257 G275 V278 A279 V290 L291 L292 F293	V221-S255 WeakPolarHBondContact CA-O 3.3Å; V221-V257 HydrophobicContact CG1-CG2 4.48Å; V221-G275 WeakPolarHBondContact CG1-O 3.37Å; V221-V278 HydrophobicContact CG1-CB 4.26Å; V221-V278 HydrophobicContact CG1-CG1 4.36Å; V221-V278 HydrophobicContact CG2-CB 4.37Å; V221-V278 HydrophobicContact CG2-CG1 3.9Å; V221-A279 HydrophobicContact CB-CB 4.36Å; V221-A279 HydrophobicContact CG2-CB 4.01Å; V221-V290 HydrophobicContact CG2-CG1 4.17Å; V221-L291 PolarHBondContact N-O 3.39Å; V221-L292 HydrophobicContact CB-CD1 4.08Å; V221-L292 HydrophobicContact CG1-CD1 4.15Å; V221-L292 CarbonylContact O-C 3.43Å; V221-L292 WeakPolarHBondContact O-CA 3.14Å; V221-F293 PolarHBondContact O-N 3.3Å
222	F	94.9	Very high	86.9	Confident	4 Å²	4	40.1 Å²	40.1	2%	0.018	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	120.8	177.8	-179.4	-80.2	0	0	0	109.4	I205 L235 V254 S255 L256 V257 Y258 F293 D295	I205-F222 HydrophobicContact CG2-CD2 4.36Å; I205-F222 HydrophobicContact CG2-CE2 4.3Å; F222-L235 HydrophobicContact CD1-CD2 4.26Å; F222-L235 HydrophobicContact CD2-CD2 4.16Å; F222-L235 HydrophobicContact CE1-CD2 3.77Å; F222-L235 HydrophobicContact CE2-CD2 3.65Å; F222-L235 HydrophobicContact CG-CD2 4.45Å; F222-L235 HydrophobicContact CZ-CD2 3.44Å; F222-L235 VanDerWaalsContact CZ-CD2 3.44Å; F222-V254 HydrophobicContact CB-CG2 4.26Å; F222-S255 PolarHBondContact N-O 3.26Å; F222-L256 HydrophobicContact CB-CD2 3.67Å; F222-L256 HydrophobicContact CD1-CD2 3.77Å; F222-L256 HydrophobicContact CG-CD2 3.93Å; F222-V257 PolarHBondContact O-N 3.31Å; F222-Y258 HydrophobicContact CD1-CE1 4.28Å; F222-Y258 AromaticContact CE1-CE1 3.83Å; F222-Y258 HydrophobicContact CE1-CE1 3.83Å; F222-F293 HydrophobicContact CB-CB 4.39Å; F222-F293 HydrophobicContact CD2-CB 3.56Å; F222-F293 HydrophobicContact CD2-CG 4.32Å; F222-F293 HydrophobicContact CE2-CB 4.19Å; F222-F293 HydrophobicContact CG-CB 4.31Å; F222-D295 HydrophobicContact CE2-CB 4.24Å; F222-D295 HydrophobicContact CZ-CB 3.86Å
223	A	95.5	Very high	87.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	102.6	176.8	0	0	0	0	0	109.6	V225 V257 F293 D295	A223-V225 PolarHBondContact O-N 3.41Å; A223-V257 CarbonylContact C-O 3.6Å; A223-V257 WeakPolarHBondContact CA-O 3.43Å; A223-F293 PolarHBondContact N-O 2.85Å; A223-D295 PolarHBondContact O-N 3.32Å; A223-D295 VanDerWaalsContact O-N 3.08Å
224	G	94.5	Very high	87.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	96.6	173.3	0	0	0	0	0	110.9	V257 G259 D295	G224-V257 PolarHBondContact N-O 2.95Å; G224-G259 PolarHBondContact O-N 3.06Å; G224-D295 CarbonylContact C-O 3.5Å; G224-D295 VanDerWaalsContact CA-O 3.3Å; G224-D295 WeakPolarHBondContact CA-O 3.23Å
225	V	94.3	Very high	88.1	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	108.2	-179.8	-169.8	0	0	0	0	110.2	A223 E227 R268 V271 A272 V294 D295 N296 R299 F300	A223-V225 PolarHBondContact O-N 3.41Å; V225-E227 PolarHBondContact O-N 2.53Å; V225-R268 WeakPolarHBondContact CG1-O 3.43Å; V225-V271 HydrophobicContact CB-CG1 3.96Å; V225-V271 HydrophobicContact CG1-CG1 3.81Å; V225-V271 HydrophobicContact CG2-CG1 3.76Å; V225-A272 HydrophobicContact CG2-CB 3.97Å; V225-V294 HydrophobicContact CG2-CG1 3.7Å; V225-D295 PolarHBondContact N-O 2.98Å; V225-N296 PolarHBondContact O-N 2.99Å; V225-R299 HydrophobicContact CB-CB 4.42Å; V225-R299 HydrophobicContact CG1-CB 3.97Å; V225-R299 WeakPolarHBondContact O-CB 3.5Å; V225-R299 WeakPolarHBondContact O-CG 3.31Å; V225-F300 HydrophobicContact CG1-CB 4.02Å
226	G	91.3	Very high	88.9	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.021	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	60.2	33.5	-179.7	0	0	0	0	0	112.6	G259 M261	G226-G259 VanDerWaalsContact CA-O 3.27Å; G226-G259 WeakPolarHBondContact CA-O 3.24Å; G226-G259 PolarHBondContact N-O 3.18Å; G226-M261 WeakPolarHBondContact O-CG 3.35Å
227	E	87.5	Confident	89.7	Confident	25 Å²	25	38 Å²	38	12%	0.117	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	153	175	-75.5	-60.6	118.4	0	0	111	V225 M261 D295	V225-E227 PolarHBondContact O-N 2.53Å; E227-M261 WeakPolarHBondContact O-CG 3.38Å; E227-M261 PolarHBondContact O-N 2.96Å; E227-M261 VanDerWaalsContact O-N 3.1Å; E227-D295 WeakPolarHBondContact CG-O 3.31Å
228	R	91.3	Very high	90.3	Very high	123 Å²	123	39.4 Å²	39.4	46%	0.464	18%	0.182	S	C	.	.			trans	-70.7	136.3	171.3	-63.6	-178.6	-175.1	79.7	1.2	108.7	R230 E231 G232 M261	R228-R230 PolarHBondContact O-N 3.31Å; R228-R230 VanDerWaalsContact O-N 3.11Å; R228-E231 HydrophobicContact CB-CB 4.29Å; R228-E231 HydrophobicContact CB-CG 4.13Å; R228-E231 WeakPolarHBondContact CB-OE2 3.37Å; R228-E231 WeakPolarHBondContact CD-OE2 3.23Å; R228-E231 WeakPolarHBondContact CG-OE2 3.45Å; R228-E231 IonicContact CZ-OE2 2.73Å; R228-E231 IonicContact NH1-OE1 3.55Å; R228-E231 PolarHBondContact NH1-OE1 3.44Å; R228-E231 IonicContact NH1-OE2 3.68Å; R228-E231 PolarHBondContact NH1-OE2 2.69Å; R228-E231 PolarHBondContact O-N 3.2Å; R228-G232 PolarHBondContact O-N 2.8Å; R228-M261 HydrophobicContact CG-SD 3.52Å; R228-M261 VanDerWaalsContact CG-SD 3.52Å
229	T	88.9	Confident	90.7	Very high	68 Å²	68	39.3 Å²	39.3	42%	0.417	18%	0.182	S	C	.	.	H	α-helix	trans	-51.9	-38.1	176.5	-47.3	0	0	0	0	112.1	N233 Q260	T229-N233 VanDerWaalsContact O-CB 3.22Å; T229-N233 WeakPolarHBondContact O-CB 3.35Å; T229-N233 PolarHBondContact O-N 3.28Å; T229-Q260 PolarHBondContact OG1-OE1 2.84Å
230	R	90.5	Very high	90.5	Very high	146 Å²	146	38.8 Å²	38.8	55%	0.551	18%	0.182	S	C	*	.	H	α-helix	trans	-62.4	-47.9	175.4	-172.5	-171.6	58.7	68.5	2.4	112.2	R228 N233 D234	R228-R230 PolarHBondContact O-N 3.31Å; R228-R230 VanDerWaalsContact O-N 3.11Å; R230-N233 PolarHBondContact O-N 3.03Å; R230-D234 IonicContact CZ-OD2 2.83Å; R230-D234 IonicContact NH1-OD2 2.93Å; R230-D234 PolarHBondContact NH1-OD2 3.14Å; R230-D234 WeakPolarHBondContact O-CB 3.29Å; R230-D234 PolarHBondContact O-N 2.96Å
231	E	86.3	Confident	90.1	Very high	60 Å²	60	43.8 Å²	43.8	28%	0.28	21%	0.213	S	C	.	.	H	α-helix	trans	-65.3	-42	-177.5	-69.7	165.6	171.6	0	0	110.8	R228 D234 L235	R228-E231 HydrophobicContact CB-CB 4.29Å; R228-E231 HydrophobicContact CB-CG 4.13Å; R228-E231 WeakPolarHBondContact CB-OE2 3.37Å; R228-E231 WeakPolarHBondContact CD-OE2 3.23Å; R228-E231 WeakPolarHBondContact CG-OE2 3.45Å; R228-E231 IonicContact CZ-OE2 2.73Å; R228-E231 IonicContact NH1-OE1 3.55Å; R228-E231 PolarHBondContact NH1-OE1 3.44Å; R228-E231 IonicContact NH1-OE2 3.68Å; R228-E231 PolarHBondContact NH1-OE2 2.69Å; R228-E231 PolarHBondContact O-N 3.2Å; E231-D234 PolarHBondContact O-N 3.12Å; E231-L235 WeakPolarHBondContact O-CB 3.46Å; E231-L235 PolarHBondContact O-N 3.03Å
232	G	87.5	Confident	89.3	Confident	8 Å²	8	45.6 Å²	45.6	8%	0.082	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-40.2	173.4	0	0	0	0	0	113.4	R228 Y236 Y258	R228-G232 PolarHBondContact O-N 2.8Å; G232-Y236 PolarHBondContact O-N 3.45Å; G232-Y258 PolarHBondContact O-OH 2.9Å
233	N	90.4	Very high	88.6	Confident	80 Å²	80	47.9 Å²	47.9	43%	0.428	25%	0.248	S	C	.	.	H	α-helix	trans	-65	-46.5	176.3	-178.8	84.2	0	0	0	112.1	T229 R230 L235 Y236 H237	T229-N233 VanDerWaalsContact O-CB 3.22Å; T229-N233 WeakPolarHBondContact O-CB 3.35Å; T229-N233 PolarHBondContact O-N 3.28Å; R230-N233 PolarHBondContact O-N 3.03Å; N233-L235 VanDerWaalsContact C-N 3.35Å; N233-Y236 PolarHBondContact O-N 2.69Å; N233-H237 PolarHBondContact ND2-CD2 2.98Å; N233-H237 PolarHBondContact O-CD2 2.79Å; N233-H237 PolarHBondContact O-N 2.89Å; N233-H237 VanDerWaalsContact O-N 3.12Å
234	D	89.3	Confident	87.9	Confident	62 Å²	62	48.3 Å²	48.3	33%	0.332	25%	0.251	S	S	.	.	H	α-helix	trans	-60.1	-47.5	178.2	-65.1	-15.2	0	0	0	109.8	R230 E231 Y236 H237 E238	R230-D234 IonicContact CZ-OD2 2.83Å; R230-D234 IonicContact NH1-OD2 2.93Å; R230-D234 PolarHBondContact NH1-OD2 3.14Å; R230-D234 WeakPolarHBondContact O-CB 3.29Å; R230-D234 PolarHBondContact O-N 2.96Å; E231-D234 PolarHBondContact O-N 3.12Å; D234-Y236 VanDerWaalsContact C-N 3.35Å; D234-Y236 PolarHBondContact O-N 3.43Å; D234-H237 PolarHBondContact O-N 3.32Å; D234-E238 WeakPolarHBondContact O-CG 3.39Å; D234-E238 PolarHBondContact O-N 2.9Å
235	L	88.4	Confident	87.5	Confident	10 Å²	10	48.4 Å²	48.4	5%	0.052	25%	0.252	C	S	.	.	H	α-helix	trans	-57.6	-44.1	176.5	-179	59.1	0	0	0	112.6	T202 M206 F222 E231 N233 H237 E238 M239	T202-L235 HydrophobicContact CG2-CD1 3.64Å; M206-L235 HydrophobicContact CG-CD1 3.78Å; M206-L235 HydrophobicContact SD-CD1 3.8Å; F222-L235 HydrophobicContact CD1-CD2 4.26Å; F222-L235 HydrophobicContact CD2-CD2 4.16Å; F222-L235 HydrophobicContact CE1-CD2 3.77Å; F222-L235 HydrophobicContact CE2-CD2 3.65Å; F222-L235 HydrophobicContact CG-CD2 4.45Å; F222-L235 HydrophobicContact CZ-CD2 3.44Å; F222-L235 VanDerWaalsContact CZ-CD2 3.44Å; E231-L235 WeakPolarHBondContact O-CB 3.46Å; E231-L235 PolarHBondContact O-N 3.03Å; N233-L235 VanDerWaalsContact C-N 3.35Å; L235-H237 PolarHBondContact O-N 3.35Å; L235-E238 PolarHBondContact O-N 3.22Å; L235-M239 HydrophobicContact CD1-CE 3.76Å; L235-M239 HydrophobicContact CD1-CG 4.3Å; L235-M239 HydrophobicContact CD2-CE 4.07Å; L235-M239 HydrophobicContact CG-CE 3.85Å; L235-M239 HydrophobicContact CG-SD 4.37Å; L235-M239 WeakPolarHBondContact O-CB 3.13Å; L235-M239 VanDerWaalsContact O-CG 3.3Å; L235-M239 WeakPolarHBondContact O-CG 3.39Å; L235-M239 PolarHBondContact O-N 2.97Å
236	Y	90.3	Very high	87.1	Confident	25 Å²	25	50.7 Å²	50.7	10%	0.098	26%	0.263	C	S	.	.	H	α-helix	trans	-61.3	-44.5	178.5	176.6	-118.4	0	0	0	111.9	I133 R144 G232 N233 D234 M239 I240 I245 L256	I133-Y236 HydrophobicContact CD1-CD1 3.98Å; I133-Y236 HydrophobicContact CD1-CD2 3.69Å; I133-Y236 HydrophobicContact CD1-CE1 4.07Å; I133-Y236 HydrophobicContact CD1-CE2 3.79Å; I133-Y236 HydrophobicContact CD1-CG 3.77Å; I133-Y236 HydrophobicContact CG1-CD2 4.08Å; I133-Y236 HydrophobicContact CG1-CE2 3.95Å; R144-Y236 PolarHBondContact NH1-OH 3.43Å; G232-Y236 PolarHBondContact O-N 3.45Å; N233-Y236 PolarHBondContact O-N 2.69Å; D234-Y236 VanDerWaalsContact C-N 3.35Å; D234-Y236 PolarHBondContact O-N 3.43Å; Y236-M239 PolarHBondContact O-N 2.95Å; Y236-I240 HydrophobicContact CD1-CD1 3.87Å; Y236-I240 HydrophobicContact CD2-CD1 4.3Å; Y236-I240 HydrophobicContact CE1-CD1 3.56Å; Y236-I240 HydrophobicContact CE2-CD1 4.03Å; Y236-I240 HydrophobicContact CE2-CG1 4.45Å; Y236-I240 HydrophobicContact CG-CD1 4.25Å; Y236-I240 WeakPolarHBondContact O-CD1 3.1Å; Y236-I240 VanDerWaalsContact O-CG1 3.32Å; Y236-I240 WeakPolarHBondContact O-CG1 3.45Å; Y236-I240 PolarHBondContact O-N 3.49Å; Y236-I240 VanDerWaalsContact O-N 3.07Å; Y236-I245 HydrophobicContact CD2-CD1 3.67Å; Y236-I245 HydrophobicContact CE2-CD1 3.82Å; Y236-I245 HydrophobicContact CE2-CG2 4.43Å; Y236-L256 HydrophobicContact CD2-CD1 3.56Å; Y236-L256 HydrophobicContact CE2-CD1 4.2Å
237	H	90.2	Very high	86.7	Confident	94 Å²	94	54.3 Å²	54.3	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-69.2	-35.4	177.5	-73.5	-60.1	0	0	0	113.1	N233 D234 L235 I240 T241	N233-H237 PolarHBondContact ND2-CD2 2.98Å; N233-H237 PolarHBondContact O-CD2 2.79Å; N233-H237 PolarHBondContact O-N 2.89Å; N233-H237 VanDerWaalsContact O-N 3.12Å; D234-H237 PolarHBondContact O-N 3.32Å; L235-H237 PolarHBondContact O-N 3.35Å; H237-I240 PolarHBondContact O-N 3.35Å; H237-T241 WeakPolarHBondContact O-CB 3.25Å; H237-T241 PolarHBondContact O-N 3.14Å; H237-T241 PolarHBondContact O-OG1 2.93Å
238	E	86.1	Confident	86.2	Confident	63 Å²	63	63 Å²	63	29%	0.294	32%	0.32	S	S	.	.	H	α-helix	trans	-64.5	-42.5	172.9	-73.8	178	178	0	0	111.2	M206 D234 L235 I240 T241 T242	M206-E238 HydrophobicContact CE-CB 4.34Å; M206-E238 WeakPolarHBondContact CE-OE2 3.38Å; M206-E238 HydrophobicContact SD-CB 3.78Å; D234-E238 WeakPolarHBondContact O-CG 3.39Å; D234-E238 PolarHBondContact O-N 2.9Å; L235-E238 PolarHBondContact O-N 3.22Å; E238-I240 VanDerWaalsContact C-N 3.29Å; E238-I240 PolarHBondContact O-N 2.84Å; E238-T241 PolarHBondContact O-N 2.79Å; E238-T241 VanDerWaalsContact O-N 3.15Å; E238-T242 WeakPolarHBondContact O-CB 3.32Å; E238-T242 WeakPolarHBondContact O-CG2 3.34Å; E238-T242 PolarHBondContact O-N 2.95Å; E238-T242 PolarHBondContact O-OG1 3.19Å
239	M	87.6	Confident	85.5	Confident	1 Å²	1	58.6 Å²	58.6	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-63.4	-33.7	175.4	-74.9	-176.6	176.4	0	0	112.9	I209 L235 Y236 T242 G243 V244 I245 V254 L256	I209-M239 HydrophobicContact CD1-CE 3.66Å; L235-M239 HydrophobicContact CD1-CE 3.76Å; L235-M239 HydrophobicContact CD1-CG 4.3Å; L235-M239 HydrophobicContact CD2-CE 4.07Å; L235-M239 HydrophobicContact CG-CE 3.85Å; L235-M239 HydrophobicContact CG-SD 4.37Å; L235-M239 WeakPolarHBondContact O-CB 3.13Å; L235-M239 VanDerWaalsContact O-CG 3.3Å; L235-M239 WeakPolarHBondContact O-CG 3.39Å; L235-M239 PolarHBondContact O-N 2.97Å; Y236-M239 PolarHBondContact O-N 2.95Å; M239-T242 WeakPolarHBondContact CA-OG1 3.25Å; M239-T242 PolarHBondContact O-OG1 2.9Å; M239-G243 PolarHBondContact O-N 2.73Å; M239-V244 HydrophobicContact CB-CB 4.29Å; M239-V244 HydrophobicContact CG-CB 4.5Å; M239-V244 HydrophobicContact CG-CG1 4.49Å; M239-V244 PolarHBondContact O-N 3.25Å; M239-I245 HydrophobicContact CB-CB 4.41Å; M239-I245 HydrophobicContact CB-CD1 3.63Å; M239-I245 HydrophobicContact CB-CG1 3.88Å; M239-I245 HydrophobicContact CG-CD1 4.43Å; M239-I245 PolarHBondContact O-N 3.36Å; M239-I245 HydrophobicContact SD-CD1 3.94Å; M239-V254 HydrophobicContact SD-CG1 3.85Å; M239-V254 HydrophobicContact SD-CG2 4.48Å; M239-L256 HydrophobicContact CE-CD2 4.41Å; M239-L256 HydrophobicContact SD-CD1 4.43Å; M239-L256 HydrophobicContact SD-CD2 4.08Å
240	I	87.7	Confident	84.9	Confident	43 Å²	43	63.2 Å²	63.2	22%	0.221	33%	0.334	C	S	.	.	H	α-helix	trans	-68.1	-44.9	172.6	-67.5	159.5	0	0	0	110.4	Y236 H237 E238 G243 I245 L247	Y236-I240 HydrophobicContact CD1-CD1 3.87Å; Y236-I240 HydrophobicContact CD2-CD1 4.3Å; Y236-I240 HydrophobicContact CE1-CD1 3.56Å; Y236-I240 HydrophobicContact CE2-CD1 4.03Å; Y236-I240 HydrophobicContact CE2-CG1 4.45Å; Y236-I240 HydrophobicContact CG-CD1 4.25Å; Y236-I240 WeakPolarHBondContact O-CD1 3.1Å; Y236-I240 VanDerWaalsContact O-CG1 3.32Å; Y236-I240 WeakPolarHBondContact O-CG1 3.45Å; Y236-I240 PolarHBondContact O-N 3.49Å; Y236-I240 VanDerWaalsContact O-N 3.07Å; H237-I240 PolarHBondContact O-N 3.35Å; E238-I240 VanDerWaalsContact C-N 3.29Å; E238-I240 PolarHBondContact O-N 2.84Å; I240-G243 PolarHBondContact O-N 3.03Å; I240-I245 HydrophobicContact CG1-CB 4.08Å; I240-I245 HydrophobicContact CG1-CG2 3.97Å; I240-L247 HydrophobicContact CD1-CD1 3.93Å; I240-L247 HydrophobicContact CD1-CD2 4.22Å; I240-L247 HydrophobicContact CD1-CG 4.27Å; I240-L247 HydrophobicContact CG1-CD1 4.18Å; I240-L247 HydrophobicContact CG1-CD2 4.28Å; I240-L247 HydrophobicContact CG1-CG 4.12Å; I240-L247 HydrophobicContact CG2-CD1 3.82Å; I240-L247 HydrophobicContact CG2-CG 4.14Å
241	T	84.5	Confident	84.5	Confident	106 Å²	106	61.7 Å²	61.7	65%	0.65	34%	0.337	S	S	*	.	H	α-helix	trans	-66.9	-39.3	-176.7	-56.2	0	0	0	0	112	H237 E238 G243	H237-T241 WeakPolarHBondContact O-CB 3.25Å; H237-T241 PolarHBondContact O-N 3.14Å; H237-T241 PolarHBondContact O-OG1 2.93Å; E238-T241 PolarHBondContact O-N 2.79Å; E238-T241 VanDerWaalsContact O-N 3.15Å; T241-G243 PolarHBondContact O-N 3.43Å
242	T	78.9	Confident	84.5	Confident	37 Å²	37	59.1 Å²	59.1	23%	0.227	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-8.3	177.8	53.3	0	0	0	0	113.3	E238 M239 V244 V459	E238-T242 WeakPolarHBondContact O-CB 3.32Å; E238-T242 WeakPolarHBondContact O-CG2 3.34Å; E238-T242 PolarHBondContact O-N 2.95Å; E238-T242 PolarHBondContact O-OG1 3.19Å; M239-T242 WeakPolarHBondContact CA-OG1 3.25Å; M239-T242 PolarHBondContact O-OG1 2.9Å; T242-V244 VanDerWaalsContact C-N 3.32Å; T242-V459 HydrophobicContact CG2-CB 4.02Å; T242-V459 HydrophobicContact CG2-CG1 4.29Å
243	G	79.1	Confident	84.4	Confident	52 Å²	52	61.9 Å²	61.9	54%	0.536	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	9.5	179.6	0	0	0	0	0	114.7	M239 I240 T241 I245	M239-G243 PolarHBondContact O-N 2.73Å; I240-G243 PolarHBondContact O-N 3.03Å; T241-G243 PolarHBondContact O-N 3.43Å; G243-I245 VanDerWaalsContact C-N 3.31Å
244	V	82	Confident	84.5	Confident	10 Å²	10	58.1 Å²	58.1	6%	0.061	32%	0.315	C	S	.	.	S	Bend	trans	-66.1	-38	171.6	175.7	0	0	0	0	110.6	I209 M239 T242 K253 V254	I209-V244 HydrophobicContact CG2-CG1 3.59Å; M239-V244 HydrophobicContact CB-CB 4.29Å; M239-V244 HydrophobicContact CG-CB 4.5Å; M239-V244 HydrophobicContact CG-CG1 4.49Å; M239-V244 PolarHBondContact O-N 3.25Å; T242-V244 VanDerWaalsContact C-N 3.32Å; V244-K253 PolarHBondContact O-N 2.77Å; V244-V254 HydrophobicContact CG1-CB 4.27Å; V244-V254 HydrophobicContact CG1-CG1 3.79Å
245	I	85.9	Confident	84.7	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	30%	0.299	C	S	.	.	S	Bend	trans	-107.1	114.8	170.9	-64.9	173.7	0	0	0	108.3	Y236 M239 I240 G243 L247 V254 L256	Y236-I245 HydrophobicContact CD2-CD1 3.67Å; Y236-I245 HydrophobicContact CE2-CD1 3.82Å; Y236-I245 HydrophobicContact CE2-CG2 4.43Å; M239-I245 HydrophobicContact CB-CB 4.41Å; M239-I245 HydrophobicContact CB-CD1 3.63Å; M239-I245 HydrophobicContact CB-CG1 3.88Å; M239-I245 HydrophobicContact CG-CD1 4.43Å; M239-I245 PolarHBondContact O-N 3.36Å; M239-I245 HydrophobicContact SD-CD1 3.94Å; I240-I245 HydrophobicContact CG1-CB 4.08Å; I240-I245 HydrophobicContact CG1-CG2 3.97Å; G243-I245 VanDerWaalsContact C-N 3.31Å; I245-L247 HydrophobicContact CG2-CD2 4.13Å; I245-V254 HydrophobicContact CD1-CG1 3.77Å; I245-V254 HydrophobicContact CG1-CG1 3.4Å; I245-V254 VanDerWaalsContact CG1-CG1 3.4Å; I245-L256 HydrophobicContact CD1-CD1 3.64Å
246	D	84.5	Confident	85	Confident	47 Å²	47	54.7 Å²	54.7	25%	0.251	30%	0.297	S	S	.	.			trans	-93.7	115.4	170.4	-174.8	-0.4	0	0	0	109.1	K248 G249 N251 S252	D246-K248 PolarHBondContact OD1-N 3.28Å; D246-G249 PolarHBondContact OD1-N 3.19Å; D246-G249 WeakPolarHBondContact OD2-CA 3.23Å; D246-G249 PolarHBondContact OD2-N 2.85Å; D246-G249 VanDerWaalsContact OD2-N 3.14Å; D246-N251 HydrophobicContact CB-CB 4.24Å; D246-S252 PolarHBondContact N-OG 3.34Å; D246-S252 PolarHBondContact O-OG 2.94Å
247	L	83.3	Confident	85.3	Confident	79 Å²	79	53.5 Å²	53.5	41%	0.414	29%	0.292	S	S	.	.	S	Bend	trans	-79.4	-24.7	176.8	-66.2	-179.9	0	0	0	113	I240 I245	I240-L247 HydrophobicContact CD1-CD1 3.93Å; I240-L247 HydrophobicContact CD1-CD2 4.22Å; I240-L247 HydrophobicContact CD1-CG 4.27Å; I240-L247 HydrophobicContact CG1-CD1 4.18Å; I240-L247 HydrophobicContact CG1-CD2 4.28Å; I240-L247 HydrophobicContact CG1-CG 4.12Å; I240-L247 HydrophobicContact CG2-CD1 3.82Å; I240-L247 HydrophobicContact CG2-CG 4.14Å; I245-L247 HydrophobicContact CG2-CD2 4.13Å
248	K	78.2	Confident	85.5	Confident	208 Å²	208	49.4 Å²	49.4	90%	0.904	27%	0.273	S	S	*	.	S	Bend	trans	-98.2	-32.9	-172.9	-67.5	-179.6	-179.3	174.3	0	112	D246	D246-K248 PolarHBondContact OD1-N 3.28Å
249	G	75.1	Confident	85.9	Confident	29 Å²	29	46.4 Å²	46.4	30%	0.299	26%	0.259	S	S	.	.	S	Bend	trans	-109.6	-175.6	177.5	0	0	0	0	0	113.9	D246	D246-G249 PolarHBondContact OD1-N 3.19Å; D246-G249 WeakPolarHBondContact OD2-CA 3.23Å; D246-G249 PolarHBondContact OD2-N 2.85Å; D246-G249 VanDerWaalsContact OD2-N 3.14Å
250	N	76	Confident	86.1	Confident	166 Å²	166	48.2 Å²	48.2	89%	0.888	27%	0.267	S	S	*	.	S	Bend	trans	-100.6	22.8	177.8	-67	-16.5	0	0	0	112	S252	N250-S252 VanDerWaalsContact C-N 3.34Å
251	N	82.7	Confident	86.2	Confident	114 Å²	114	50.1 Å²	50.1	61%	0.61	28%	0.276	S	S	*	.			trans	-90.5	4	-175.5	-69.5	-23.3	0	0	0	113.6	D246 K253	D246-N251 HydrophobicContact CB-CB 4.24Å; N251-K253 WeakPolarHBondContact O-CG 3.45Å; N251-K253 PolarHBondContact O-N 3.31Å
252	S	87.3	Confident	86.5	Confident	6 Å²	6	50.7 Å²	50.7	4%	0.042	28%	0.276	C	S	.	.			trans	-56.7	132.2	176.5	-72.2	0	0	0	0	111.1	D246 N250	D246-S252 PolarHBondContact N-OG 3.34Å; D246-S252 PolarHBondContact O-OG 2.94Å; N250-S252 VanDerWaalsContact C-N 3.34Å
253	K	85	Confident	87.2	Confident	66 Å²	66	50.6 Å²	50.6	29%	0.287	27%	0.272	S	S	.	.			trans	-109.1	-5.4	-176.3	-61.5	-59.2	-173.8	170.3	0	114.3	A213 Y219 S220 V244 N251	A213-K253 HydrophobicContact CB-CB 4.25Å; A213-K253 HydrophobicContact CB-CG 4.16Å; Y219-K253 HydrophobicContact CD1-CD 4.26Å; Y219-K253 HydrophobicContact CE1-CD 4.09Å; S220-K253 PolarHBondContact N-O 2.79Å; V244-K253 PolarHBondContact O-N 2.77Å; N251-K253 WeakPolarHBondContact O-CG 3.45Å; N251-K253 PolarHBondContact O-N 3.31Å
254	V	91.7	Very high	87.9	Confident	0 Å²	0	49 Å²	49	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136	-175	65.6	0	0	0	0	112	G131 S220 F222 M239 V244 I245 L256	G131-V254 WeakPolarHBondContact CA-O 3.31Å; G131-V254 PolarHBondContact N-O 3.13Å; S220-V254 CarbonylContact O-C 3.6Å; S220-V254 WeakPolarHBondContact O-CA 3.15Å; F222-V254 HydrophobicContact CB-CG2 4.26Å; M239-V254 HydrophobicContact SD-CG1 3.85Å; M239-V254 HydrophobicContact SD-CG2 4.48Å; V244-V254 HydrophobicContact CG1-CB 4.27Å; V244-V254 HydrophobicContact CG1-CG1 3.79Å; I245-V254 HydrophobicContact CD1-CG1 3.77Å; I245-V254 HydrophobicContact CG1-CG1 3.4Å; I245-V254 VanDerWaalsContact CG1-CG1 3.4Å; V254-L256 HydrophobicContact CG2-CD2 4.46Å
255	S	93.9	Very high	88.5	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	132.3	167.1	-175.1	0	0	0	0	109.4	T129 M134 S220 V221 F222	T129-S255 PolarHBondContact O-OG 2.8Å; T129-S255 PolarHBondContact OG1-OG 3.28Å; M134-S255 WeakPolarHBondContact CE-OG 3.46Å; S220-S255 PolarHBondContact O-N 3.19Å; V221-S255 WeakPolarHBondContact CA-O 3.3Å; F222-S255 PolarHBondContact N-O 3.26Å
256	L	95	Very high	88.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.2	-176.7	-67.9	161.2	0	0	0	110.6	R132 I133 M134 F222 Y236 M239 I245 V254 Y258	R132-L256 PolarHBondContact O-N 3.2Å; I133-L256 WeakPolarHBondContact CA-O 3.5Å; I133-L256 HydrophobicContact CB-CB 4.43Å; I133-L256 HydrophobicContact CG1-CB 4.17Å; I133-L256 HydrophobicContact CG1-CD1 3.98Å; I133-L256 HydrophobicContact CG2-CB 4.24Å; M134-L256 PolarHBondContact N-O 3.26Å; F222-L256 HydrophobicContact CB-CD2 3.67Å; F222-L256 HydrophobicContact CD1-CD2 3.77Å; F222-L256 HydrophobicContact CG-CD2 3.93Å; Y236-L256 HydrophobicContact CD2-CD1 3.56Å; Y236-L256 HydrophobicContact CE2-CD1 4.2Å; M239-L256 HydrophobicContact CE-CD2 4.41Å; M239-L256 HydrophobicContact SD-CD1 4.43Å; M239-L256 HydrophobicContact SD-CD2 4.08Å; I245-L256 HydrophobicContact CD1-CD1 3.64Å; V254-L256 HydrophobicContact CG2-CD2 4.46Å; L256-Y258 HydrophobicContact CB-CE2 3.9Å; L256-Y258 HydrophobicContact CD2-CE2 4.3Å; L256-Y258 HydrophobicContact CG-CE2 4.49Å
257	V	95.9	Very high	89.3	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.8	174.7	-169.8	0	0	0	0	108.3	M134 V221 F222 A223 G224 V271 T274	M134-V257 HydrophobicContact CE-CG2 4.31Å; M134-V257 HydrophobicContact CG-CB 4.15Å; M134-V257 HydrophobicContact CG-CG1 3.99Å; M134-V257 HydrophobicContact CG-CG2 3.71Å; M134-V257 WeakPolarHBondContact O-CA 3.35Å; M134-V257 HydrophobicContact SD-CG2 3.84Å; V221-V257 HydrophobicContact CG1-CG2 4.48Å; F222-V257 PolarHBondContact O-N 3.31Å; A223-V257 CarbonylContact C-O 3.6Å; A223-V257 WeakPolarHBondContact CA-O 3.43Å; G224-V257 PolarHBondContact N-O 2.95Å; V257-V271 HydrophobicContact CB-CG2 4.45Å; V257-V271 HydrophobicContact CG1-CG2 3.59Å; V257-T274 HydrophobicContact CG1-CG2 3.51Å
258	Y	95.4	Very high	89.9	Confident	8 Å²	8	44.3 Å²	44.3	3%	0.031	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	142.6	178	-68.5	-79.6	0	0	0	112.3	I133 M134 F222 G232 L256	I133-Y258 HydrophobicContact CG2-CD2 3.33Å; I133-Y258 HydrophobicContact CG2-CE2 3.65Å; M134-Y258 PolarHBondContact O-N 3.35Å; F222-Y258 HydrophobicContact CD1-CE1 4.28Å; F222-Y258 AromaticContact CE1-CE1 3.83Å; F222-Y258 HydrophobicContact CE1-CE1 3.83Å; G232-Y258 PolarHBondContact O-OH 2.9Å; L256-Y258 HydrophobicContact CB-CE2 3.9Å; L256-Y258 HydrophobicContact CD2-CE2 4.3Å; L256-Y258 HydrophobicContact CG-CE2 4.49Å
259	G	93.2	Very high	90.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	95.2	166.4	0	0	0	0	0	107	G224 G226 E263 V271	G224-G259 PolarHBondContact O-N 3.06Å; G226-G259 VanDerWaalsContact CA-O 3.27Å; G226-G259 WeakPolarHBondContact CA-O 3.24Å; G226-G259 PolarHBondContact N-O 3.18Å; G259-E263 WeakPolarHBondContact CA-OE2 3.29Å; G259-V271 VanDerWaalsContact N-CG2 3.31Å
260	Q	92.5	Very high	91.6	Very high	39 Å²	39	35.2 Å²	35.2	18%	0.182	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	162.8	-162.4	-59.4	-174.2	-24.7	0	0	113.1	T229 N262 E263	T229-Q260 PolarHBondContact OG1-OE1 2.84Å; Q260-N262 VanDerWaalsContact C-N 3.25Å; Q260-N262 WeakPolarHBondContact CB-OD1 3.15Å; Q260-N262 PolarHBondContact O-N 2.97Å; Q260-N262 PolarHBondContact OE1-OD1 3.32Å; Q260-E263 HydrophobicContact CB-CG 4.2Å; Q260-E263 VanDerWaalsContact N-CD 3.35Å; Q260-E263 PolarHBondContact N-OE2 2.6Å; Q260-E263 WeakPolarHBondContact O-CB 3.44Å; Q260-E263 PolarHBondContact O-N 2.78Å; Q260-E263 VanDerWaalsContact O-N 3.1Å
261	M	90.4	Very high	92.5	Very high	84 Å²	84	27.3 Å²	27.3	41%	0.414	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-31.3	177.5	-74.9	-170.3	71.9	0	0	114.6	G226 E227 R228 E263	G226-M261 WeakPolarHBondContact O-CG 3.35Å; E227-M261 WeakPolarHBondContact O-CG 3.38Å; E227-M261 PolarHBondContact O-N 2.96Å; E227-M261 VanDerWaalsContact O-N 3.1Å; R228-M261 HydrophobicContact CG-SD 3.52Å; R228-M261 VanDerWaalsContact CG-SD 3.52Å; M261-E263 VanDerWaalsContact C-N 3.25Å
262	N	90.3	Very high	93.1	Very high	118 Å²	118	21.9 Å²	21.9	63%	0.631	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-8.9	178.3	59.7	-61.2	0	0	0	113.2	Q260	Q260-N262 VanDerWaalsContact C-N 3.25Å; Q260-N262 WeakPolarHBondContact CB-OD1 3.15Å; Q260-N262 PolarHBondContact O-N 2.97Å; Q260-N262 PolarHBondContact OE1-OD1 3.32Å
263	E	93.1	Very high	93.6	Very high	34 Å²	34	22 Å²	22	16%	0.159	11%	0.107	C	C	.	.	S	Bend	trans	-85	156	178.6	-68.3	176.7	176.8	0	0	111.6	G259 Q260 M261 A267 R268	G259-E263 WeakPolarHBondContact CA-OE2 3.29Å; Q260-E263 HydrophobicContact CB-CG 4.2Å; Q260-E263 VanDerWaalsContact N-CD 3.35Å; Q260-E263 PolarHBondContact N-OE2 2.6Å; Q260-E263 WeakPolarHBondContact O-CB 3.44Å; Q260-E263 PolarHBondContact O-N 2.78Å; Q260-E263 VanDerWaalsContact O-N 3.1Å; M261-E263 VanDerWaalsContact C-N 3.25Å; E263-A267 HydrophobicContact CB-CB 3.99Å; E263-R268 PolarHBondContact O-NE 3.46Å
264	P	93.8	Very high	94.1	Very high	19 Å²	19	18.9 Å²	18.9	12%	0.123	9%	0.094	C	C	.	.			trans	-59.7	156.7	179.7	27.3	-38.5	0	0	0	112.2	A58 G266 A267 R268	A58-P264 HydrophobicContact CB-CB 4.13Å; P264-G266 PolarHBondContact O-N 2.89Å; P264-A267 HydrophobicContact CG-CB 4.4Å; P264-A267 PolarHBondContact O-N 3.16Å; P264-R268 PolarHBondContact O-N 2.9Å
265	P	94.4	Very high	94.3	Very high	14 Å²	14	18.9 Å²	18.9	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-59	-24.5	178.9	25.1	-35.1	0	0	0	113.1	A58 R268 A269 E306 V307 L310	A58-P265 HydrophobicContact CB-CG 4.22Å; P265-R268 PolarHBondContact O-N 3.27Å; P265-A269 WeakPolarHBondContact O-CB 3.43Å; P265-A269 PolarHBondContact O-N 3.43Å; P265-E306 HydrophobicContact CB-CB 3.74Å; P265-E306 HydrophobicContact CG-CB 4.25Å; P265-V307 HydrophobicContact CB-CG2 3.98Å; P265-V307 HydrophobicContact CG-CG2 4.42Å; P265-L310 HydrophobicContact CG-CD1 4.06Å
266	G	94.4	Very high	94.4	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.01	9%	0.094	C	C	.	.	H	α-helix	trans	-58.7	-46.7	172.7	0	0	0	0	0	113.5	I100 P264 A269 R270	I100-G266 VanDerWaalsContact CG2-CA 3.48Å; P264-G266 PolarHBondContact O-N 2.89Å; G266-A269 PolarHBondContact O-N 2.84Å; G266-R270 WeakPolarHBondContact O-CG 3.49Å; G266-R270 PolarHBondContact O-N 2.93Å
267	A	94.5	Very high	94.5	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.3	-49.4	177.3	0	0	0	0	0	111.3	M102 V136 E263 P264 A269 R270 V271	M102-A267 WeakPolarHBondContact O-CB 3.19Å; V136-A267 HydrophobicContact CB-CB 4.41Å; V136-A267 HydrophobicContact CG1-CB 3.93Å; E263-A267 HydrophobicContact CB-CB 3.99Å; P264-A267 HydrophobicContact CG-CB 4.4Å; P264-A267 PolarHBondContact O-N 3.16Å; A267-A269 VanDerWaalsContact C-N 3.3Å; A267-A269 PolarHBondContact O-N 2.87Å; A267-R270 PolarHBondContact O-N 2.8Å; A267-V271 WeakPolarHBondContact O-CB 3.42Å; A267-V271 PolarHBondContact O-N 2.75Å
268	R	94.7	Very high	94.5	Very high	24 Å²	24	19 Å²	19	9%	0.091	9%	0.094	C	C	.	.	H	α-helix	trans	-61.5	-35.7	178.8	-67.9	-174.7	-78.4	125.5	-5.6	112.6	V225 E263 P264 P265 R270 A303 E306	V225-R268 WeakPolarHBondContact CG1-O 3.43Å; E263-R268 PolarHBondContact O-NE 3.46Å; P264-R268 PolarHBondContact O-N 2.9Å; P265-R268 PolarHBondContact O-N 3.27Å; R268-R270 PolarHBondContact O-N 2.95Å; R268-A303 HydrophobicContact CB-CB 3.54Å; R268-E306 IonicContact CZ-OE1 2.82Å; R268-E306 IonicContact CZ-OE2 3.92Å; R268-E306 IonicContact NH1-OE1 3.61Å; R268-E306 PolarHBondContact NH1-OE1 3.46Å; R268-E306 IonicContact NH1-OE2 3.36Å; R268-E306 IonicContact NH2-OE1 3Å; R268-E306 PolarHBondContact NH2-OE1 3.28Å; R268-E306 IonicContact NH2-OE2 3.83Å; R268-E306 PolarHBondContact NH2-OE2 3.5Å
269	A	94.1	Very high	94.5	Very high	3 Å²	3	18.6 Å²	18.6	3%	0.025	9%	0.093	C	C	.	.	H	α-helix	trans	-76	-5.9	177.6	0	0	0	0	0	114.1	P265 G266 A267 F300 A303 V307	P265-A269 WeakPolarHBondContact O-CB 3.43Å; P265-A269 PolarHBondContact O-N 3.43Å; G266-A269 PolarHBondContact O-N 2.84Å; A267-A269 VanDerWaalsContact C-N 3.3Å; A267-A269 PolarHBondContact O-N 2.87Å; A269-F300 VanDerWaalsContact O-CE2 3.27Å; A269-F300 WeakPolarHBondContact O-CE2 3.34Å; A269-A303 HydrophobicContact CB-CB 3.98Å; A269-V307 HydrophobicContact CB-CG2 4.16Å
270	R	95.5	Very high	94.6	Very high	44 Å²	44	19.1 Å²	19.1	17%	0.166	10%	0.095	C	C	.	.	H	α-helix	trans	-123.2	-24.4	-177.7	-66.8	-63.6	176.7	-95.1	0	114.1	E87 M102 V136 I155 G266 A267 R268 A272 L273 T274	E87-R270 IonicContact OE1-CZ 3.48Å; E87-R270 IonicContact OE1-NE 2.69Å; E87-R270 PolarHBondContact OE1-NE 3.18Å; E87-R270 IonicContact OE1-NH2 3.61Å; E87-R270 PolarHBondContact OE1-NH2 3.02Å; E87-R270 IonicContact OE2-NE 3.33Å; E87-R270 PolarHBondContact OE2-NE 3.01Å; E87-R270 VanDerWaalsContact OE2-NE 3.15Å; M102-R270 HydrophobicContact CE-CG 4.25Å; M102-R270 HydrophobicContact SD-CB 4.32Å; M102-R270 HydrophobicContact SD-CG 4.07Å; V136-R270 HydrophobicContact CG2-CB 3.6Å; I155-R270 HydrophobicContact CD1-CB 4.22Å; I155-R270 HydrophobicContact CD1-CG 4.4Å; G266-R270 WeakPolarHBondContact O-CG 3.49Å; G266-R270 PolarHBondContact O-N 2.93Å; A267-R270 PolarHBondContact O-N 2.8Å; R268-R270 PolarHBondContact O-N 2.95Å; R270-A272 PolarHBondContact O-N 2.66Å; R270-A272 VanDerWaalsContact O-N 3.14Å; R270-L273 WeakPolarHBondContact O-CA 3.41Å; R270-L273 WeakPolarHBondContact O-CB 3.27Å; R270-L273 PolarHBondContact O-N 2.83Å; R270-T274 PolarHBondContact O-N 2.81Å; R270-T274 VanDerWaalsContact O-N 3.09Å; R270-T274 PolarHBondContact O-OG1 3.47Å
271	V	95.3	Very high	94.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-55.7	-35.4	-177.2	69.7	0	0	0	0	113.5	V225 V257 G259 A267 L273 T274 G275	V225-V271 HydrophobicContact CB-CG1 3.96Å; V225-V271 HydrophobicContact CG1-CG1 3.81Å; V225-V271 HydrophobicContact CG2-CG1 3.76Å; V257-V271 HydrophobicContact CB-CG2 4.45Å; V257-V271 HydrophobicContact CG1-CG2 3.59Å; G259-V271 VanDerWaalsContact N-CG2 3.31Å; A267-V271 WeakPolarHBondContact O-CB 3.42Å; A267-V271 PolarHBondContact O-N 2.75Å; V271-L273 VanDerWaalsContact C-N 3.31Å; V271-L273 PolarHBondContact O-N 3.35Å; V271-T274 WeakPolarHBondContact O-CB 3.49Å; V271-T274 PolarHBondContact O-N 2.87Å; V271-G275 PolarHBondContact O-N 2.77Å
272	A	95.6	Very high	94.9	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60.9	-40.2	175	0	0	0	0	0	112.2	V225 R270 G275 L276 F300 M331	V225-A272 HydrophobicContact CG2-CB 3.97Å; R270-A272 PolarHBondContact O-N 2.66Å; R270-A272 VanDerWaalsContact O-N 3.14Å; A272-G275 PolarHBondContact O-N 2.85Å; A272-L276 VanDerWaalsContact O-CB 3.29Å; A272-L276 WeakPolarHBondContact O-CB 3.4Å; A272-L276 PolarHBondContact O-N 3.25Å; A272-F300 HydrophobicContact CB-CD2 3.88Å; A272-F300 HydrophobicContact CB-CE2 4.34Å; A272-F300 HydrophobicContact CB-CG 4.49Å; A272-M331 HydrophobicContact CB-CE 4.31Å
273	L	96.3	Very high	95	Very high	9 Å²	9	9.1 Å²	9.1	5%	0.047	4%	0.042	C	C	.	.	H	α-helix	trans	-69.1	-36.4	175.8	-55.5	179.2	0	0	0	111.3	I155 R270 V271 L276 T277 M331	I155-L273 HydrophobicContact CB-CB 4.44Å; R270-L273 WeakPolarHBondContact O-CA 3.41Å; R270-L273 WeakPolarHBondContact O-CB 3.27Å; R270-L273 PolarHBondContact O-N 2.83Å; V271-L273 VanDerWaalsContact C-N 3.31Å; V271-L273 PolarHBondContact O-N 3.35Å; L273-L276 PolarHBondContact O-N 2.99Å; L273-T277 WeakPolarHBondContact O-CB 3.3Å; L273-T277 PolarHBondContact O-N 3.21Å; L273-T277 PolarHBondContact O-OG1 2.95Å; L273-M331 HydrophobicContact CD2-CB 3.84Å; L273-M331 HydrophobicContact CD2-CG 3.91Å
274	T	96.2	Very high	95	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60	-50.6	173.8	-59	0	0	0	0	110.9	I123 V136 V257 R270 V271 L276 T277 V278	I123-T274 HydrophobicContact CD1-CG2 3.59Å; I123-T274 VanDerWaalsContact CD1-O 3.25Å; I123-T274 WeakPolarHBondContact CD1-O 3.28Å; I123-T274 HydrophobicContact CG2-CG2 3.99Å; V136-T274 PolarHBondContact O-OG1 3.5Å; V257-T274 HydrophobicContact CG1-CG2 3.51Å; R270-T274 PolarHBondContact O-N 2.81Å; R270-T274 VanDerWaalsContact O-N 3.09Å; R270-T274 PolarHBondContact O-OG1 3.47Å; V271-T274 WeakPolarHBondContact O-CB 3.49Å; V271-T274 PolarHBondContact O-N 2.87Å; T274-L276 PolarHBondContact O-N 3.27Å; T274-T277 PolarHBondContact O-N 2.96Å; T274-V278 PolarHBondContact O-N 3.4Å
275	G	96	Very high	94.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-61	-43.5	175.8	0	0	0	0	0	112.7	V221 V271 A272 T277 V278 A279	V221-G275 WeakPolarHBondContact CG1-O 3.37Å; V271-G275 PolarHBondContact O-N 2.77Å; A272-G275 PolarHBondContact O-N 2.85Å; G275-T277 VanDerWaalsContact C-N 3.32Å; G275-T277 PolarHBondContact O-N 3.33Å; G275-V278 PolarHBondContact O-N 3.42Å; G275-A279 PolarHBondContact O-N 3.38Å
276	L	96.3	Very high	94.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-60.5	-40.9	175.9	179.3	57.6	0	0	0	112.5	A272 L273 T274 V278 A279 E280 L292 M331 R334 I335 I343	A272-L276 VanDerWaalsContact O-CB 3.29Å; A272-L276 WeakPolarHBondContact O-CB 3.4Å; A272-L276 PolarHBondContact O-N 3.25Å; L273-L276 PolarHBondContact O-N 2.99Å; T274-L276 PolarHBondContact O-N 3.27Å; L276-V278 VanDerWaalsContact C-N 3.29Å; L276-V278 PolarHBondContact O-N 3.49Å; L276-A279 CarbonylContact O-C 3.53Å; L276-A279 WeakPolarHBondContact O-CA 3.47Å; L276-A279 WeakPolarHBondContact O-CB 3.49Å; L276-A279 PolarHBondContact O-N 3.04Å; L276-E280 HydrophobicContact CD1-CG 4.29Å; L276-E280 HydrophobicContact CG-CG 4.42Å; L276-E280 VanDerWaalsContact O-CG 3.3Å; L276-E280 WeakPolarHBondContact O-CG 3.11Å; L276-E280 PolarHBondContact O-N 3.5Å; L276-L292 HydrophobicContact CB-CD2 4.26Å; L276-L292 HydrophobicContact CD1-CD2 3.81Å; L276-M331 HydrophobicContact CD2-CG 4.19Å; L276-M331 WeakPolarHBondContact CD2-O 3.29Å; L276-R334 HydrophobicContact CD1-CB 4.45Å; L276-R334 HydrophobicContact CD2-CB 3.67Å; L276-R334 HydrophobicContact CD2-CG 4.4Å; L276-R334 HydrophobicContact CG-CB 4.36Å; L276-I335 HydrophobicContact CD1-CG1 3.75Å; L276-I343 HydrophobicContact CD1-CD1 4.18Å
277	T	96.4	Very high	94.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	10%	0.098	C	C	.	.	H	α-helix	trans	-63.9	-34.1	178.2	-57.3	0	0	0	0	112.4	I123 V125 G154 I155 L273 T274 G275 Y281 R334	I123-T277 HydrophobicContact CD1-CG2 3.93Å; I123-T277 HydrophobicContact CG1-CG2 4.17Å; V125-T277 HydrophobicContact CG1-CG2 4.33Å; G154-T277 WeakPolarHBondContact O-CG2 3.42Å; I155-T277 WeakPolarHBondContact CA-OG1 3.25Å; I155-T277 PolarHBondContact O-OG1 2.92Å; L273-T277 WeakPolarHBondContact O-CB 3.3Å; L273-T277 PolarHBondContact O-N 3.21Å; L273-T277 PolarHBondContact O-OG1 2.95Å; T274-T277 PolarHBondContact O-N 2.96Å; G275-T277 VanDerWaalsContact C-N 3.32Å; G275-T277 PolarHBondContact O-N 3.33Å; T277-Y281 PolarHBondContact O-N 2.82Å; T277-R334 PolarHBondContact OG1-NH2 3.43Å; T277-R334 VanDerWaalsContact OG1-NH2 3.1Å
278	V	95.8	Very high	94.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-67.2	-42	171.4	177.9	0	0	0	0	110.5	I123 M134 V221 T274 G275 L276 Y281 F282	I123-V278 HydrophobicContact CD1-CG2 3.8Å; M134-V278 HydrophobicContact CE-CG2 4.1Å; M134-V278 HydrophobicContact SD-CG2 3.99Å; V221-V278 HydrophobicContact CG1-CB 4.26Å; V221-V278 HydrophobicContact CG1-CG1 4.36Å; V221-V278 HydrophobicContact CG2-CB 4.37Å; V221-V278 HydrophobicContact CG2-CG1 3.9Å; T274-V278 PolarHBondContact O-N 3.4Å; G275-V278 PolarHBondContact O-N 3.42Å; L276-V278 VanDerWaalsContact C-N 3.29Å; L276-V278 PolarHBondContact O-N 3.49Å; V278-Y281 WeakPolarHBondContact O-CB 3.4Å; V278-Y281 PolarHBondContact O-N 2.96Å; V278-F282 HydrophobicContact CG1-CD2 4.36Å; V278-F282 HydrophobicContact CG1-CE2 3.85Å; V278-F282 WeakPolarHBondContact O-CD2 3.4Å
279	A	95.6	Very high	94.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-65.1	-40.7	178	0	0	0	0	0	112.5	V221 G275 L276 Y281 F282 R283 V290 L292 I343	V221-A279 HydrophobicContact CB-CB 4.36Å; V221-A279 HydrophobicContact CG2-CB 4.01Å; G275-A279 PolarHBondContact O-N 3.38Å; L276-A279 CarbonylContact O-C 3.53Å; L276-A279 WeakPolarHBondContact O-CA 3.47Å; L276-A279 WeakPolarHBondContact O-CB 3.49Å; L276-A279 PolarHBondContact O-N 3.04Å; A279-Y281 VanDerWaalsContact C-N 3.3Å; A279-Y281 PolarHBondContact O-N 3.23Å; A279-F282 PolarHBondContact O-N 3.28Å; A279-F282 VanDerWaalsContact O-N 3.16Å; A279-R283 PolarHBondContact O-N 3.06Å; A279-V290 HydrophobicContact CB-CG1 3.92Å; A279-L292 HydrophobicContact CB-CD1 4.5Å; A279-I343 HydrophobicContact CB-CD1 4.04Å; A279-I343 HydrophobicContact CB-CG1 4.27Å; A279-I343 HydrophobicContact CB-CG2 4.34Å
280	E	95.6	Very high	94.2	Very high	11 Å²	11	24.4 Å²	24.4	5%	0.051	12%	0.123	C	C	.	.	H	α-helix	trans	-60.6	-37	176.3	-72.3	173.1	158.9	0	0	112.6	L276 F282 R283 D284 R334 I343	L276-E280 HydrophobicContact CD1-CG 4.29Å; L276-E280 HydrophobicContact CG-CG 4.42Å; L276-E280 VanDerWaalsContact O-CG 3.3Å; L276-E280 WeakPolarHBondContact O-CG 3.11Å; L276-E280 PolarHBondContact O-N 3.5Å; E280-F282 VanDerWaalsContact C-N 3.33Å; E280-F282 PolarHBondContact O-N 3.15Å; E280-R283 PolarHBondContact O-N 3.33Å; E280-D284 VanDerWaalsContact O-CB 3.28Å; E280-D284 WeakPolarHBondContact O-CB 3.2Å; E280-D284 PolarHBondContact O-N 3.18Å; E280-R334 VanDerWaalsContact CD-NH2 3.26Å; E280-R334 IonicContact OE1-CZ 2.8Å; E280-R334 IonicContact OE1-NE 3.93Å; E280-R334 PolarHBondContact OE1-NE 3.42Å; E280-R334 IonicContact OE1-NH2 3.65Å; E280-R334 PolarHBondContact OE1-NH2 3.1Å; E280-R334 IonicContact OE2-CZ 3.73Å; E280-R334 IonicContact OE2-NE 3.93Å; E280-R334 IonicContact OE2-NH2 2.69Å; E280-R334 PolarHBondContact OE2-NH2 3.05Å; E280-I343 HydrophobicContact CG-CD1 3.83Å
281	Y	95.1	Very high	94.1	Very high	28 Å²	28	22.7 Å²	22.7	11%	0.11	12%	0.117	C	C	.	.	H	α-helix	trans	-57.2	-47.9	174	172.8	-89.7	0	0	0	111.7	V125 M151 T277 V278 A279 R283 Q285 E286	V125-Y281 HydrophobicContact CB-CD2 3.93Å; V125-Y281 HydrophobicContact CB-CG 3.83Å; V125-Y281 HydrophobicContact CG2-CD2 3.54Å; V125-Y281 HydrophobicContact CG2-CE2 4.18Å; V125-Y281 HydrophobicContact CG2-CG 3.99Å; M151-Y281 HydrophobicContact CE-CE2 4.06Å; M151-Y281 HydrophobicContact SD-CE2 3.97Å; T277-Y281 PolarHBondContact O-N 2.82Å; V278-Y281 WeakPolarHBondContact O-CB 3.4Å; V278-Y281 PolarHBondContact O-N 2.96Å; A279-Y281 VanDerWaalsContact C-N 3.3Å; A279-Y281 PolarHBondContact O-N 3.23Å; Y281-R283 VanDerWaalsContact C-N 3.34Å; Y281-R283 PolarHBondContact O-N 3.17Å; Y281-Q285 HydrophobicContact CD2-CB 4.09Å; Y281-Q285 HydrophobicContact CD2-CG 3.68Å; Y281-Q285 HydrophobicContact CE2-CB 3.89Å; Y281-Q285 HydrophobicContact CE2-CG 3.77Å; Y281-Q285 HydrophobicContact CG-CG 4.44Å; Y281-Q285 VanDerWaalsContact O-CB 3.26Å; Y281-Q285 WeakPolarHBondContact O-CB 3.19Å; Y281-Q285 PolarHBondContact O-N 3.46Å; Y281-E286 HydrophobicContact CE1-CG 4.03Å
282	F	93.9	Very high	94.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-68.3	-33.8	179.6	-68.6	-67.8	0	0	0	112.4	G126 P127 L130 Y219 V278 A279 E280 E286 G287 Q288 V290	G126-F282 WeakPolarHBondContact O-CZ 3.48Å; P127-F282 HydrophobicContact CG-CE1 4.45Å; L130-F282 HydrophobicContact CD1-CE1 4.44Å; L130-F282 HydrophobicContact CD1-CZ 4.33Å; L130-F282 HydrophobicContact CD2-CE2 4.32Å; L130-F282 HydrophobicContact CD2-CZ 3.87Å; L130-F282 HydrophobicContact CG-CZ 3.99Å; Y219-F282 AromaticContact CD2-CD1 3.7Å; Y219-F282 HydrophobicContact CD2-CD1 3.7Å; Y219-F282 HydrophobicContact CD2-CE1 4.03Å; Y219-F282 HydrophobicContact CD2-CG 4.28Å; Y219-F282 HydrophobicContact CE2-CD1 4.15Å; Y219-F282 HydrophobicContact CE2-CE1 4.26Å; Y219-F282 HydrophobicContact CG-CD1 4.32Å; Y219-F282 HydrophobicContact CG-CE1 4.4Å; V278-F282 HydrophobicContact CG1-CD2 4.36Å; V278-F282 HydrophobicContact CG1-CE2 3.85Å; V278-F282 WeakPolarHBondContact O-CD2 3.4Å; A279-F282 PolarHBondContact O-N 3.28Å; A279-F282 VanDerWaalsContact O-N 3.16Å; E280-F282 VanDerWaalsContact C-N 3.33Å; E280-F282 PolarHBondContact O-N 3.15Å; F282-E286 HydrophobicContact CD1-CG 4.26Å; F282-E286 CarbonylContact O-C 3.57Å; F282-E286 WeakPolarHBondContact O-CB 3.41Å; F282-G287 PolarHBondContact O-N 3.03Å; F282-Q288 PolarHBondContact O-N 3.43Å; F282-V290 HydrophobicContact CB-CG2 3.45Å; F282-V290 VanDerWaalsContact CB-CG2 3.45Å
283	R	93.1	Very high	94.1	Very high	3 Å²	3	22.7 Å²	22.7	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-67	-51.1	173.5	-173.3	-168.5	61.2	-155	-8.6	112.2	A279 E280 Y281 G287 R334 G341 I343	A279-R283 PolarHBondContact O-N 3.06Å; E280-R283 PolarHBondContact O-N 3.33Å; Y281-R283 VanDerWaalsContact C-N 3.34Å; Y281-R283 PolarHBondContact O-N 3.17Å; R283-G287 VanDerWaalsContact O-CA 3.29Å; R283-G287 WeakPolarHBondContact O-CA 3.43Å; R283-G287 PolarHBondContact O-N 3.31Å; R283-R334 PolarHBondContact NH1-O 3.31Å; R283-G341 WeakPolarHBondContact CG-O 3.36Å; R283-I343 HydrophobicContact CB-CD1 4.15Å; R283-I343 HydrophobicContact CB-CG1 3.97Å; R283-I343 HydrophobicContact CG-CG1 4.28Å
284	D	92.9	Very high	94	Very high	44 Å²	44	22.3 Å²	22.3	24%	0.235	12%	0.115	C	C	.	.	H	α-helix	trans	-91.5	-33.1	-163.6	-62.7	-27	0	0	0	113.5	E280 K340	E280-D284 VanDerWaalsContact O-CB 3.28Å; E280-D284 WeakPolarHBondContact O-CB 3.2Å; E280-D284 PolarHBondContact O-N 3.18Å; D284-K340 VanDerWaalsContact O-CD 3.31Å; D284-K340 WeakPolarHBondContact O-CD 3.42Å; D284-K340 PolarHBondContact O-NZ 3.37Å
285	Q	92	Very high	93.9	Very high	126 Å²	126	23.2 Å²	23.2	59%	0.589	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-43.4	-178.8	-55.7	-63.4	-17.4	0	0	112.3	Y281	Y281-Q285 HydrophobicContact CD2-CB 4.09Å; Y281-Q285 HydrophobicContact CD2-CG 3.68Å; Y281-Q285 HydrophobicContact CE2-CB 3.89Å; Y281-Q285 HydrophobicContact CE2-CG 3.77Å; Y281-Q285 HydrophobicContact CG-CG 4.44Å; Y281-Q285 VanDerWaalsContact O-CB 3.26Å; Y281-Q285 WeakPolarHBondContact O-CB 3.19Å; Y281-Q285 PolarHBondContact O-N 3.46Å
286	E	90.5	Very high	93.5	Very high	89 Å²	89	23.8 Å²	23.8	42%	0.416	12%	0.123	S	C	.	.	S	Bend	trans	-93.4	-12.9	-178.9	-62.9	-69.7	166.6	0	0	113.1	Y281 F282 Q288	Y281-E286 HydrophobicContact CE1-CG 4.03Å; F282-E286 HydrophobicContact CD1-CG 4.26Å; F282-E286 CarbonylContact O-C 3.57Å; F282-E286 WeakPolarHBondContact O-CB 3.41Å; E286-Q288 VanDerWaalsContact C-N 3.33Å; E286-Q288 HydrophobicContact CB-CG 3.95Å; E286-Q288 PolarHBondContact O-N 3.06Å; E286-Q288 PolarHBondContact O-NE2 2.96Å
287	G	90.2	Very high	93.3	Very high	30 Å²	30	23.8 Å²	23.8	31%	0.309	12%	0.123	S	C	.	.			trans	62.1	40.2	179.4	0	0	0	0	0	112.8	F282 R283 K340	F282-G287 PolarHBondContact O-N 3.03Å; R283-G287 VanDerWaalsContact O-CA 3.29Å; R283-G287 WeakPolarHBondContact O-CA 3.43Å; R283-G287 PolarHBondContact O-N 3.31Å; G287-K340 CarbonylContact C-O 3.43Å; G287-K340 WeakPolarHBondContact CA-O 3.1Å; G287-K340 VanDerWaalsContact O-O 3.06Å
288	Q	89.9	Confident	93.1	Very high	72 Å²	72	24.8 Å²	24.8	34%	0.336	13%	0.127	S	C	.	.			trans	-107.7	154.9	-177.9	-63.4	-62.6	-54.4	0	0	111.5	Y219 F282 E286	Y219-Q288 HydrophobicContact CD2-CG 4.44Å; Y219-Q288 HydrophobicContact CE2-CG 4.48Å; F282-Q288 PolarHBondContact O-N 3.43Å; E286-Q288 VanDerWaalsContact C-N 3.33Å; E286-Q288 HydrophobicContact CB-CG 3.95Å; E286-Q288 PolarHBondContact O-N 3.06Å; E286-Q288 PolarHBondContact O-NE2 2.96Å
289	D	92	Very high	92.9	Very high	55 Å²	55	27.8 Å²	27.8	29%	0.294	14%	0.138	S	C	.	.			trans	-80.6	125.5	165.3	-69	-32.4	0	0	0	109.6	K187 G218 S342	K187-D289 IonicContact NZ-OD2 3.31Å; G218-D289 WeakPolarHBondContact CA-O 3.35Å; D289-S342 WeakPolarHBondContact CA-O 3.18Å; D289-S342 VanDerWaalsContact CG-OG 3.28Å; D289-S342 WeakPolarHBondContact OD1-CB 3.3Å; D289-S342 PolarHBondContact OD1-N 3.36Å; D289-S342 PolarHBondContact OD1-OG 2.86Å
290	V	93.6	Very high	92.8	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	136.1	-171.8	-172.3	0	0	0	0	109.8	Y219 V221 A279 F282 S342 I343 T344	Y219-V290 VanDerWaalsContact O-CA 3.3Å; Y219-V290 WeakPolarHBondContact O-CA 3.44Å; Y219-V290 WeakPolarHBondContact O-CG1 3.46Å; V221-V290 HydrophobicContact CG2-CG1 4.17Å; A279-V290 HydrophobicContact CB-CG1 3.92Å; F282-V290 HydrophobicContact CB-CG2 3.45Å; F282-V290 VanDerWaalsContact CB-CG2 3.45Å; V290-S342 PolarHBondContact N-O 2.99Å; V290-I343 HydrophobicContact CB-CG1 4.42Å; V290-I343 WeakPolarHBondContact O-CA 2.85Å; V290-T344 PolarHBondContact O-N 3.31Å
291	L	94.2	Very high	92.7	Very high	7 Å²	7	27.8 Å²	27.8	4%	0.037	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	124.8	167.5	-65.3	-171.1	0	0	0	111.2	L172 V212 Y219 S220 V221 F293 T344	L172-L291 HydrophobicContact CD2-CD2 3.77Å; V212-L291 HydrophobicContact CB-CD1 3.73Å; V212-L291 HydrophobicContact CB-CG 4.43Å; V212-L291 HydrophobicContact CG1-CD1 3.91Å; V212-L291 HydrophobicContact CG1-CG 4.05Å; V212-L291 HydrophobicContact CG2-CD1 3.77Å; Y219-L291 PolarHBondContact O-N 3.06Å; S220-L291 CarbonylContact C-O 3.56Å; S220-L291 VanDerWaalsContact CA-O 3.3Å; S220-L291 WeakPolarHBondContact CA-O 3.26Å; V221-L291 PolarHBondContact N-O 3.39Å; L291-F293 HydrophobicContact CB-CD2 4.34Å; L291-F293 HydrophobicContact CB-CE2 3.56Å; L291-F293 HydrophobicContact CB-CZ 4.11Å; L291-F293 HydrophobicContact CD1-CE2 4Å; L291-F293 HydrophobicContact CD1-CZ 3.82Å; L291-F293 HydrophobicContact CG-CE2 4.47Å; L291-T344 CarbonylContact C-O 3.55Å; L291-T344 VanDerWaalsContact CA-O 3.3Å; L291-T344 WeakPolarHBondContact CA-O 3.49Å; L291-T344 HydrophobicContact CD2-CG2 4.19Å
292	L	96	Very high	92.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	116	172.8	177.6	65	0	0	0	110.4	V221 L276 A279 V294 I335 I343 T344 S345 V346	V221-L292 HydrophobicContact CB-CD1 4.08Å; V221-L292 HydrophobicContact CG1-CD1 4.15Å; V221-L292 CarbonylContact O-C 3.43Å; V221-L292 WeakPolarHBondContact O-CA 3.14Å; L276-L292 HydrophobicContact CB-CD2 4.26Å; L276-L292 HydrophobicContact CD1-CD2 3.81Å; A279-L292 HydrophobicContact CB-CD1 4.5Å; L292-V294 HydrophobicContact CD2-CG2 4.27Å; L292-V294 HydrophobicContact CG-CG2 4.06Å; L292-I335 HydrophobicContact CD2-CD1 3.97Å; L292-I335 HydrophobicContact CD2-CG1 4.16Å; L292-I343 HydrophobicContact CB-CG2 3.78Å; L292-I343 HydrophobicContact CD2-CG2 4.34Å; L292-T344 PolarHBondContact N-O 2.73Å; L292-S345 CarbonylContact O-C 3.59Å; L292-S345 WeakPolarHBondContact O-CA 3.16Å; L292-S345 WeakPolarHBondContact O-CB 3.42Å; L292-V346 PolarHBondContact O-N 3.4Å
293	F	95.1	Very high	92.5	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.3	173.6	-63.6	-88.8	0	0	0	109.8	I205 L208 I209 V221 F222 A223 L291 V346	I205-F293 HydrophobicContact CB-CD1 4.22Å; I205-F293 HydrophobicContact CB-CE1 4.27Å; I205-F293 HydrophobicContact CG1-CD1 4Å; I205-F293 HydrophobicContact CG1-CE1 4.25Å; I205-F293 HydrophobicContact CG2-CD1 3.52Å; I205-F293 HydrophobicContact CG2-CE1 3.77Å; I205-F293 HydrophobicContact CG2-CG 3.99Å; I205-F293 HydrophobicContact CG2-CZ 4.45Å; L208-F293 HydrophobicContact CB-CE1 4.29Å; L208-F293 HydrophobicContact CB-CZ 4.07Å; L208-F293 HydrophobicContact CD1-CE1 4.37Å; I209-F293 HydrophobicContact CD1-CD2 4.04Å; I209-F293 HydrophobicContact CD1-CE2 3.84Å; I209-F293 HydrophobicContact CD1-CZ 4.26Å; I209-F293 HydrophobicContact CG1-CD2 3.94Å; I209-F293 HydrophobicContact CG1-CE1 4.43Å; I209-F293 HydrophobicContact CG1-CE2 3.22Å; I209-F293 HydrophobicContact CG1-CZ 3.51Å; V221-F293 PolarHBondContact O-N 3.3Å; F222-F293 HydrophobicContact CB-CB 4.39Å; F222-F293 HydrophobicContact CD2-CB 3.56Å; F222-F293 HydrophobicContact CD2-CG 4.32Å; F222-F293 HydrophobicContact CE2-CB 4.19Å; F222-F293 HydrophobicContact CG-CB 4.31Å; A223-F293 PolarHBondContact N-O 2.85Å; L291-F293 HydrophobicContact CB-CD2 4.34Å; L291-F293 HydrophobicContact CB-CE2 3.56Å; L291-F293 HydrophobicContact CB-CZ 4.11Å; L291-F293 HydrophobicContact CD1-CE2 4Å; L291-F293 HydrophobicContact CD1-CZ 3.82Å; L291-F293 HydrophobicContact CG-CE2 4.47Å; F293-V346 WeakPolarHBondContact CA-O 3.31Å; F293-V346 HydrophobicContact CD1-CB 3.71Å; F293-V346 HydrophobicContact CD1-CG1 4.19Å; F293-V346 HydrophobicContact CD1-CG2 4.37Å; F293-V346 HydrophobicContact CE1-CB 3.76Å; F293-V346 HydrophobicContact CE1-CG1 4.22Å; F293-V346 HydrophobicContact CE1-CG2 3.95Å
294	V	94.6	Very high	92.6	Very high	1 Å²	1	29.7 Å²	29.7	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	103	175.4	-172.6	0	0	0	0	108.6	V225 L292 I297 M331 V346 Q347 A348	V225-V294 HydrophobicContact CG2-CG1 3.7Å; L292-V294 HydrophobicContact CD2-CG2 4.27Å; L292-V294 HydrophobicContact CG-CG2 4.06Å; V294-I297 HydrophobicContact CG1-CB 4.24Å; V294-I297 HydrophobicContact CG1-CD1 4.03Å; V294-M331 HydrophobicContact CG2-CE 3.93Å; V294-V346 PolarHBondContact N-O 2.94Å; V294-Q347 HydrophobicContact CB-CB 4.41Å; V294-Q347 HydrophobicContact CB-CG 4.19Å; V294-Q347 HydrophobicContact CG2-CG 4.3Å; V294-Q347 CarbonylContact O-C 3.5Å; V294-Q347 WeakPolarHBondContact O-CA 3.34Å; V294-A348 PolarHBondContact O-N 3.43Å
295	D	92.2	Very high	92.6	Very high	18 Å²	18	28.9 Å²	28.9	10%	0.096	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	104.5	174.7	-158.7	2.7	0	0	0	108	F222 A223 G224 V225 E227 A348	F222-D295 HydrophobicContact CE2-CB 4.24Å; F222-D295 HydrophobicContact CZ-CB 3.86Å; A223-D295 PolarHBondContact O-N 3.32Å; A223-D295 VanDerWaalsContact O-N 3.08Å; G224-D295 CarbonylContact C-O 3.5Å; G224-D295 VanDerWaalsContact CA-O 3.3Å; G224-D295 WeakPolarHBondContact CA-O 3.23Å; V225-D295 PolarHBondContact N-O 2.98Å; E227-D295 WeakPolarHBondContact CG-O 3.31Å; D295-A348 HydrophobicContact CB-CB 4.35Å; D295-A348 WeakPolarHBondContact OD1-CB 3.24Å
296	N	88.7	Confident	92.7	Very high	13 Å²	13	26 Å²	26	7%	0.07	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	cis	-122	136.8	0.7	-172.3	-59	0	0	0	111.3	V225 F298 R299 A348 Y350	V225-N296 PolarHBondContact O-N 2.99Å; N296-F298 PolarHBondContact O-N 2.95Å; N296-F298 WeakPolarHBondContact OD1-CB 3.48Å; N296-F298 PolarHBondContact OD1-N 3.26Å; N296-R299 HydrophobicContact CB-CG 4.15Å; N296-R299 WeakPolarHBondContact O-CB 3.48Å; N296-R299 PolarHBondContact O-N 2.79Å; N296-A348 HydrophobicContact CB-CB 4.48Å; N296-A348 PolarHBondContact ND2-O 2.84Å; N296-A348 PolarHBondContact OD1-O 3.32Å; N296-Y350 PolarHBondContact ND2-N 3.21Å; N296-Y350 PolarHBondContact OD1-N 3.48Å
297	I	92.5	Very high	92.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-27	-178.8	-166.6	66.2	0	0	0	112.7	V294 R299 F300 T301 M328 M331 Q347 A348 I349 T364	V294-I297 HydrophobicContact CG1-CB 4.24Å; V294-I297 HydrophobicContact CG1-CD1 4.03Å; I297-R299 PolarHBondContact O-N 3.49Å; I297-F300 HydrophobicContact CD1-CB 4.21Å; I297-F300 HydrophobicContact CD1-CD1 4.27Å; I297-F300 HydrophobicContact CD1-CG 4.43Å; I297-F300 VanDerWaalsContact O-CB 3.31Å; I297-F300 WeakPolarHBondContact O-CB 3.18Å; I297-F300 PolarHBondContact O-N 2.82Å; I297-T301 PolarHBondContact O-N 3.45Å; I297-M328 HydrophobicContact CD1-CE 4.34Å; I297-M328 HydrophobicContact CD1-SD 4.22Å; I297-M328 HydrophobicContact CG1-CE 3.95Å; I297-M328 HydrophobicContact CG1-SD 4.12Å; I297-M331 HydrophobicContact CD1-CE 4.14Å; I297-M331 HydrophobicContact CD1-SD 4.14Å; I297-Q347 HydrophobicContact CB-CB 4.35Å; I297-Q347 HydrophobicContact CG2-CB 4.31Å; I297-A348 WeakPolarHBondContact CG2-O 3.36Å; I297-A348 PolarHBondContact N-O 3.02Å; I297-I349 HydrophobicContact CG2-CB 4.44Å; I297-I349 HydrophobicContact CG2-CG1 3.5Å; I297-T364 HydrophobicContact CG2-CG2 4.01Å
298	F	91.6	Very high	93	Very high	22 Å²	22	21 Å²	21	10%	0.096	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-34.9	172.5	179.5	-99	0	0	0	111.8	N296 F300 T301 Q302 Y350 P352 A360	N296-F298 PolarHBondContact O-N 2.95Å; N296-F298 WeakPolarHBondContact OD1-CB 3.48Å; N296-F298 PolarHBondContact OD1-N 3.26Å; F298-F300 VanDerWaalsContact C-N 3.3Å; F298-F300 PolarHBondContact O-N 2.92Å; F298-T301 WeakPolarHBondContact O-CB 3.5Å; F298-T301 PolarHBondContact O-N 2.9Å; F298-Q302 HydrophobicContact CE1-CB 4.45Å; F298-Q302 WeakPolarHBondContact O-CB 3.02Å; F298-Q302 PolarHBondContact O-N 3.02Å; F298-Y350 AromaticContact CD1-CD1 3.72Å; F298-Y350 HydrophobicContact CD1-CD1 3.72Å; F298-Y350 HydrophobicContact CD1-CG 4.4Å; F298-Y350 WeakPolarHBondContact CD2-O 3.34Å; F298-Y350 AromaticContact CE1-CD1 3.79Å; F298-Y350 HydrophobicContact CE1-CD1 3.79Å; F298-Y350 HydrophobicContact CE1-CE1 4.31Å; F298-Y350 HydrophobicContact CG-CD1 4.15Å; F298-Y350 HydrophobicContact CZ-CD1 4.28Å; F298-P352 HydrophobicContact CE2-CG 4.11Å; F298-P352 HydrophobicContact CZ-CB 4.48Å; F298-P352 HydrophobicContact CZ-CG 4.4Å; F298-A360 HydrophobicContact CD2-CB 3.99Å; F298-A360 HydrophobicContact CE2-CB 3.87Å
299	R	91.3	Very high	93.1	Very high	63 Å²	63	21 Å²	21	24%	0.238	12%	0.118	C	C	.	.	H	α-helix	trans	-69	-29.5	178	-65.2	-62.6	-167.8	-164.5	-2.8	112.4	V225 N296 I297 Q302 A303	V225-R299 HydrophobicContact CB-CB 4.42Å; V225-R299 HydrophobicContact CG1-CB 3.97Å; V225-R299 WeakPolarHBondContact O-CB 3.5Å; V225-R299 WeakPolarHBondContact O-CG 3.31Å; N296-R299 HydrophobicContact CB-CG 4.15Å; N296-R299 WeakPolarHBondContact O-CB 3.48Å; N296-R299 PolarHBondContact O-N 2.79Å; I297-R299 PolarHBondContact O-N 3.49Å; R299-Q302 VanDerWaalsContact CD-OE1 3.28Å; R299-A303 WeakPolarHBondContact O-CB 3.43Å; R299-A303 PolarHBondContact O-N 3.12Å
300	F	94.1	Very high	93.1	Very high	10 Å²	10	21.5 Å²	21.5	4%	0.044	12%	0.12	C	C	.	.	H	α-helix	trans	-61.6	-49.1	170	170.8	-99.4	0	0	0	110.3	V225 A269 A272 I297 F298 A303 G304 M328 M331	V225-F300 HydrophobicContact CG1-CB 4.02Å; A269-F300 VanDerWaalsContact O-CE2 3.27Å; A269-F300 WeakPolarHBondContact O-CE2 3.34Å; A272-F300 HydrophobicContact CB-CD2 3.88Å; A272-F300 HydrophobicContact CB-CE2 4.34Å; A272-F300 HydrophobicContact CB-CG 4.49Å; I297-F300 HydrophobicContact CD1-CB 4.21Å; I297-F300 HydrophobicContact CD1-CD1 4.27Å; I297-F300 HydrophobicContact CD1-CG 4.43Å; I297-F300 VanDerWaalsContact O-CB 3.31Å; I297-F300 WeakPolarHBondContact O-CB 3.18Å; I297-F300 PolarHBondContact O-N 2.82Å; F298-F300 VanDerWaalsContact C-N 3.3Å; F298-F300 PolarHBondContact O-N 2.92Å; F300-A303 PolarHBondContact O-N 3.26Å; F300-G304 PolarHBondContact O-N 2.85Å; F300-M328 HydrophobicContact CD1-CE 4.02Å; F300-M328 HydrophobicContact CE1-CE 4.37Å; F300-M331 HydrophobicContact CZ-CB 4.44Å
301	T	93.2	Very high	93	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	12%	0.121	C	C	.	.	H	α-helix	trans	-61.8	-46	176.5	-64.9	0	0	0	0	112.4	I297 F298 A303 G304 S305 Y320 L324 M328 A360	I297-T301 PolarHBondContact O-N 3.45Å; F298-T301 WeakPolarHBondContact O-CB 3.5Å; F298-T301 PolarHBondContact O-N 2.9Å; T301-A303 PolarHBondContact O-N 3.18Å; T301-G304 WeakPolarHBondContact O-CA 3.24Å; T301-G304 PolarHBondContact O-N 2.82Å; T301-G304 VanDerWaalsContact O-N 3.15Å; T301-S305 PolarHBondContact O-N 2.86Å; T301-Y320 HydrophobicContact CG2-CD1 3.84Å; T301-Y320 HydrophobicContact CG2-CE1 3.77Å; T301-L324 HydrophobicContact CG2-CD1 3.4Å; T301-L324 VanDerWaalsContact CG2-CD1 3.4Å; T301-M328 WeakPolarHBondContact OG1-CE 3.48Å; T301-A360 HydrophobicContact CG2-CB 3.53Å
302	Q	92.1	Very high	92.8	Very high	59 Å²	59	24.4 Å²	24.4	28%	0.276	15%	0.15	S	C	.	.	H	α-helix	trans	-60	-46	178	-174.1	-173.5	5.4	0	0	111.5	F298 R299 G304 S305 E306	F298-Q302 HydrophobicContact CE1-CB 4.45Å; F298-Q302 WeakPolarHBondContact O-CB 3.02Å; F298-Q302 PolarHBondContact O-N 3.02Å; R299-Q302 VanDerWaalsContact CD-OE1 3.28Å; Q302-G304 VanDerWaalsContact C-N 3.28Å; Q302-G304 PolarHBondContact O-N 2.81Å; Q302-S305 WeakPolarHBondContact O-CB 3.41Å; Q302-S305 PolarHBondContact O-N 2.84Å; Q302-S305 VanDerWaalsContact O-N 3.14Å; Q302-E306 PolarHBondContact O-N 3.42Å
303	A	93.8	Very high	92.5	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-61.6	-38.3	175.8	0	0	0	0	0	111.5	R268 A269 R299 F300 T301 S305 E306 V307	R268-A303 HydrophobicContact CB-CB 3.54Å; A269-A303 HydrophobicContact CB-CB 3.98Å; R299-A303 WeakPolarHBondContact O-CB 3.43Å; R299-A303 PolarHBondContact O-N 3.12Å; F300-A303 PolarHBondContact O-N 3.26Å; T301-A303 PolarHBondContact O-N 3.18Å; A303-S305 VanDerWaalsContact C-N 3.35Å; A303-S305 PolarHBondContact O-N 3.35Å; A303-E306 PolarHBondContact O-N 2.81Å; A303-V307 WeakPolarHBondContact O-CG2 3.44Å; A303-V307 PolarHBondContact O-N 2.88Å
304	G	93.6	Very high	92.4	Very high	11 Å²	11	35.2 Å²	35.2	11%	0.113	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-41.1	172.4	0	0	0	0	0	113.3	F300 T301 Q302 V307 S308	F300-G304 PolarHBondContact O-N 2.85Å; T301-G304 WeakPolarHBondContact O-CA 3.24Å; T301-G304 PolarHBondContact O-N 2.82Å; T301-G304 VanDerWaalsContact O-N 3.15Å; Q302-G304 VanDerWaalsContact C-N 3.28Å; Q302-G304 PolarHBondContact O-N 2.81Å; G304-V307 PolarHBondContact O-N 2.81Å; G304-S308 WeakPolarHBondContact O-CB 3.37Å; G304-S308 PolarHBondContact O-N 2.75Å
305	S	93.5	Very high	92.4	Very high	27 Å²	27	39.2 Å²	39.2	19%	0.189	23%	0.226	C	C	.	.	H	α-helix	trans	-64.2	-45.2	174.6	-179.5	0	0	0	0	111.9	T301 Q302 A303 V307 S308 A309 G319	T301-S305 PolarHBondContact O-N 2.86Å; Q302-S305 WeakPolarHBondContact O-CB 3.41Å; Q302-S305 PolarHBondContact O-N 2.84Å; Q302-S305 VanDerWaalsContact O-N 3.14Å; A303-S305 VanDerWaalsContact C-N 3.35Å; A303-S305 PolarHBondContact O-N 3.35Å; S305-V307 PolarHBondContact O-N 2.98Å; S305-S308 PolarHBondContact O-N 3.26Å; S305-A309 PolarHBondContact O-N 3.2Å; S305-G319 PolarHBondContact OG-O 3.04Å; S305-G319 VanDerWaalsContact OG-O 3.04Å
306	E	93.4	Very high	92.3	Very high	65 Å²	65	41.6 Å²	41.6	30%	0.304	24%	0.244	S	C	.	.	H	α-helix	trans	-59.9	-47.1	175.5	-68.7	175	-127.9	0	0	112	P265 R268 Q302 A303 S308 A309 L310	P265-E306 HydrophobicContact CB-CB 3.74Å; P265-E306 HydrophobicContact CG-CB 4.25Å; R268-E306 IonicContact CZ-OE1 2.82Å; R268-E306 IonicContact CZ-OE2 3.92Å; R268-E306 IonicContact NH1-OE1 3.61Å; R268-E306 PolarHBondContact NH1-OE1 3.46Å; R268-E306 IonicContact NH1-OE2 3.36Å; R268-E306 IonicContact NH2-OE1 3Å; R268-E306 PolarHBondContact NH2-OE1 3.28Å; R268-E306 IonicContact NH2-OE2 3.83Å; R268-E306 PolarHBondContact NH2-OE2 3.5Å; Q302-E306 PolarHBondContact O-N 3.42Å; A303-E306 PolarHBondContact O-N 2.81Å; E306-S308 VanDerWaalsContact C-N 3.34Å; E306-S308 PolarHBondContact O-N 3.27Å; E306-A309 PolarHBondContact O-N 3.38Å; E306-L310 WeakPolarHBondContact O-CG 3.21Å; E306-L310 PolarHBondContact O-N 3.31Å; E306-L310 VanDerWaalsContact O-N 3.1Å
307	V	93.3	Very high	92.3	Very high	12 Å²	12	43.7 Å²	43.7	7%	0.073	26%	0.264	C	S	.	.	H	α-helix	trans	-60.5	-44.6	175.6	168.9	0	0	0	0	110.8	I100 P265 A269 A303 G304 S305 A309 L310 L311	I100-V307 HydrophobicContact CD1-CG1 3.38Å; I100-V307 HydrophobicContact CG1-CG1 4.03Å; I100-V307 HydrophobicContact CG2-CG2 4.4Å; P265-V307 HydrophobicContact CB-CG2 3.98Å; P265-V307 HydrophobicContact CG-CG2 4.42Å; A269-V307 HydrophobicContact CB-CG2 4.16Å; A303-V307 WeakPolarHBondContact O-CG2 3.44Å; A303-V307 PolarHBondContact O-N 2.88Å; G304-V307 PolarHBondContact O-N 2.81Å; S305-V307 PolarHBondContact O-N 2.98Å; V307-A309 VanDerWaalsContact C-N 3.33Å; V307-A309 PolarHBondContact O-N 2.87Å; V307-L310 PolarHBondContact O-N 3.02Å; V307-L311 HydrophobicContact CG1-CD1 3.95Å; V307-L311 HydrophobicContact CG1-CG 4.28Å; V307-L311 WeakPolarHBondContact O-CG 3.3Å; V307-L311 PolarHBondContact O-N 3.2Å
308	S	93.5	Very high	92.1	Very high	4 Å²	4	49 Å²	49	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-61.8	-40.9	-179.6	-179.6	0	0	0	0	112.5	G304 S305 E306 L311 G312 R313 Q321	G304-S308 WeakPolarHBondContact O-CB 3.37Å; G304-S308 PolarHBondContact O-N 2.75Å; S305-S308 PolarHBondContact O-N 3.26Å; E306-S308 VanDerWaalsContact C-N 3.34Å; E306-S308 PolarHBondContact O-N 3.27Å; S308-L311 PolarHBondContact O-N 3.43Å; S308-G312 PolarHBondContact O-N 2.78Å; S308-R313 PolarHBondContact O-N 3.48Å; S308-R313 VanDerWaalsContact O-N 3.13Å; S308-R313 WeakPolarHBondContact OG-CB 3.45Å; S308-R313 WeakPolarHBondContact OG-CD 3.22Å; S308-Q321 VanDerWaalsContact OG-CB 3.26Å; S308-Q321 WeakPolarHBondContact OG-CB 3.39Å
309	A	92.4	Very high	92	Very high	72 Å²	72	49.7 Å²	49.7	60%	0.595	31%	0.309	S	S	*	.	H	α-helix	trans	-62.7	-44	174.7	0	0	0	0	0	111.5	S305 E306 V307 L311 G312	S305-A309 PolarHBondContact O-N 3.2Å; E306-A309 PolarHBondContact O-N 3.38Å; V307-A309 VanDerWaalsContact C-N 3.33Å; V307-A309 PolarHBondContact O-N 2.87Å; A309-L311 VanDerWaalsContact C-N 3.32Å; A309-L311 PolarHBondContact O-N 3.43Å; A309-G312 PolarHBondContact O-N 3.26Å; A309-G312 VanDerWaalsContact O-N 3.07Å
310	L	91.5	Very high	92.1	Very high	64 Å²	64	47.8 Å²	47.8	34%	0.335	30%	0.302	S	S	.	.	H	α-helix	trans	-65.9	-32.4	177	-67.4	173.9	0	0	0	113.1	A58 V59 P265 E306 V307 G312	A58-L310 HydrophobicContact CB-CD1 3.95Å; V59-L310 HydrophobicContact CG2-CB 3.58Å; V59-L310 HydrophobicContact CG2-CD1 4.48Å; P265-L310 HydrophobicContact CG-CD1 4.06Å; E306-L310 WeakPolarHBondContact O-CG 3.21Å; E306-L310 PolarHBondContact O-N 3.31Å; E306-L310 VanDerWaalsContact O-N 3.1Å; V307-L310 PolarHBondContact O-N 3.02Å; L310-G312 PolarHBondContact O-N 2.82Å
311	L	92	Very high	92.1	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.037	30%	0.301	C	S	.	.	H	α-helix	trans	-71.8	-13.6	174.2	-69.2	176.5	0	0	0	113	V59 A89 R98 I100 V307 S308 A309 R313	V59-L311 HydrophobicContact CG2-CD2 4.28Å; A89-L311 HydrophobicContact CB-CD1 4.18Å; A89-L311 HydrophobicContact CB-CD2 3.91Å; R98-L311 HydrophobicContact CG-CD2 3.78Å; R98-L311 PolarHBondContact NH1-O 3.24Å; I100-L311 HydrophobicContact CD1-CD1 4.39Å; I100-L311 HydrophobicContact CG1-CD2 4.33Å; V307-L311 HydrophobicContact CG1-CD1 3.95Å; V307-L311 HydrophobicContact CG1-CG 4.28Å; V307-L311 WeakPolarHBondContact O-CG 3.3Å; V307-L311 PolarHBondContact O-N 3.2Å; S308-L311 PolarHBondContact O-N 3.43Å; A309-L311 VanDerWaalsContact C-N 3.32Å; A309-L311 PolarHBondContact O-N 3.43Å; L311-R313 HydrophobicContact CB-CG 4.31Å
312	G	89.6	Confident	92.1	Very high	62 Å²	62	51 Å²	51	64%	0.639	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	23.2	-178.4	0	0	0	0	0	113.7	S308 A309 L310	S308-G312 PolarHBondContact O-N 2.78Å; A309-G312 PolarHBondContact O-N 3.26Å; A309-G312 VanDerWaalsContact O-N 3.07Å; L310-G312 PolarHBondContact O-N 2.82Å
313	R	90.5	Very high	92.2	Very high	84 Å²	84	49.9 Å²	49.9	32%	0.317	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-73.1	144.3	174.5	-64.1	177.5	179.6	177.1	0.7	109.6	S308 L311 P322 T323	S308-R313 PolarHBondContact O-N 3.48Å; S308-R313 VanDerWaalsContact O-N 3.13Å; S308-R313 WeakPolarHBondContact OG-CB 3.45Å; S308-R313 WeakPolarHBondContact OG-CD 3.22Å; L311-R313 HydrophobicContact CB-CG 4.31Å; R313-P322 HydrophobicContact CB-CG 4.3Å; R313-T323 PolarHBondContact NH1-OG1 3.35Å; R313-T323 VanDerWaalsContact NH1-OG1 3.13Å
314	I	93.8	Very high	92.1	Very high	144 Å²	144	50.5 Å²	50.5	74%	0.738	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-64.5	125.9	173.7	-62.4	173.5	0	0	0	108.2	P322	I314-P322 WeakPolarHBondContact O-CD 3.26Å
315	P	93.1	Very high	92.1	Very high	85 Å²	85	53 Å²	53	55%	0.552	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-66.6	148.2	176.4	27.4	-33.6	0	0	0	111.2
316	S	91.8	Very high	92.1	Very high	69 Å²	69	56.5 Å²	56.5	48%	0.483	36%	0.364	S	S	.	.			trans	-95.1	-161.8	174.8	-167.6	0	0	0	0	110.6	V318 G319 Y320	S316-V318 PolarHBondContact O-N 3.04Å; S316-G319 PolarHBondContact O-N 3.03Å; S316-Y320 WeakPolarHBondContact CB-O 3.3Å; S316-Y320 PolarHBondContact N-O 3.06Å
317	A	87.6	Confident	92.1	Very high	57 Å²	57	55.6 Å²	55.6	47%	0.471	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-47.1	134.6	176.9	0	0	0	0	0	112	G319 Y320 P359	A317-G319 PolarHBondContact O-N 3.29Å; A317-Y320 WeakPolarHBondContact O-CD2 3.33Å; A317-Y320 PolarHBondContact O-N 3.44Å; A317-P359 HydrophobicContact CB-CG 4Å
318	V	88.2	Confident	92.2	Very high	110 Å²	110	55 Å²	55	67%	0.667	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	59.8	9	178.6	-163.6	0	0	0	0	114.2	S316 Y320 P359	S316-V318 PolarHBondContact O-N 3.04Å; V318-Y320 HydrophobicContact CB-CD2 4.03Å; V318-Y320 HydrophobicContact CB-CE2 3.99Å; V318-Y320 HydrophobicContact CG1-CE2 4.17Å; V318-P359 HydrophobicContact CB-CG 4.35Å; V318-P359 HydrophobicContact CG2-CG 3.91Å
319	G	90.1	Very high	92.2	Very high	38 Å²	38	55.5 Å²	55.5	39%	0.392	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	92.1	6.4	179.4	0	0	0	0	0	114.8	S305 S316 A317	S305-G319 PolarHBondContact OG-O 3.04Å; S305-G319 VanDerWaalsContact OG-O 3.04Å; S316-G319 PolarHBondContact O-N 3.03Å; A317-G319 PolarHBondContact O-N 3.29Å
320	Y	93.4	Very high	92.2	Very high	22 Å²	22	55.1 Å²	55.1	9%	0.086	36%	0.356	C	S	.	.			trans	-73	163.8	176.3	-68.7	-72.6	0	0	0	112.9	T301 S316 A317 V318 L324 D358 P359 A360	T301-Y320 HydrophobicContact CG2-CD1 3.84Å; T301-Y320 HydrophobicContact CG2-CE1 3.77Å; S316-Y320 WeakPolarHBondContact CB-O 3.3Å; S316-Y320 PolarHBondContact N-O 3.06Å; A317-Y320 WeakPolarHBondContact O-CD2 3.33Å; A317-Y320 PolarHBondContact O-N 3.44Å; V318-Y320 HydrophobicContact CB-CD2 4.03Å; V318-Y320 HydrophobicContact CB-CE2 3.99Å; V318-Y320 HydrophobicContact CG1-CE2 4.17Å; Y320-L324 HydrophobicContact CG-CD2 4.19Å; Y320-D358 WeakPolarHBondContact CE2-OD1 3.34Å; Y320-D358 VanDerWaalsContact CZ-OD1 3.26Å; Y320-D358 PolarHBondContact OH-OD1 2.97Å; Y320-D358 PolarHBondContact OH-OD2 2.84Å; Y320-P359 HydrophobicContact CD2-CB 3.83Å; Y320-P359 HydrophobicContact CD2-CG 4Å; Y320-P359 HydrophobicContact CE2-CB 4.16Å; Y320-P359 HydrophobicContact CE2-CG 4.26Å; Y320-A360 HydrophobicContact CE1-CB 3.76Å; Y320-A360 HydrophobicContact CE2-CB 4.19Å; Y320-A360 WeakPolarHBondContact OH-CB 3.3Å
321	Q	93.6	Very high	92.4	Very high	4 Å²	4	52 Å²	52	2%	0.019	34%	0.34	C	S	.	.			trans	-64.1	143.5	174.6	69.7	-82.2	28	0	0	111.8	S308 T323 L324	S308-Q321 VanDerWaalsContact OG-CB 3.26Å; S308-Q321 WeakPolarHBondContact OG-CB 3.39Å; Q321-T323 PolarHBondContact O-N 2.91Å; Q321-T323 VanDerWaalsContact O-N 3.16Å; Q321-L324 HydrophobicContact CG-CB 4.17Å; Q321-L324 WeakPolarHBondContact O-CB 3.48Å; Q321-L324 PolarHBondContact O-N 2.62Å
322	P	94.3	Very high	92.6	Very high	76 Å²	76	51.7 Å²	51.7	49%	0.494	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.9	176.7	27.7	-34.7	0	0	0	112.6	R313 I314	R313-P322 HydrophobicContact CB-CG 4.3Å; I314-P322 WeakPolarHBondContact O-CD 3.26Å
323	T	92.6	Very high	92.8	Very high	35 Å²	35	53 Å²	53	22%	0.215	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	8.2	178.6	53.3	0	0	0	0	113.7	R313 Q321 A325 T326 D327	R313-T323 PolarHBondContact NH1-OG1 3.35Å; R313-T323 VanDerWaalsContact NH1-OG1 3.13Å; Q321-T323 PolarHBondContact O-N 2.91Å; Q321-T323 VanDerWaalsContact O-N 3.16Å; T323-A325 VanDerWaalsContact C-N 3.34Å; T323-A325 PolarHBondContact O-N 3.39Å; T323-T326 WeakPolarHBondContact O-CA 3.4Å; T323-T326 WeakPolarHBondContact O-CB 3.47Å; T323-T326 PolarHBondContact O-N 3.19Å; T323-D327 WeakPolarHBondContact CB-OD2 3.41Å; T323-D327 VanDerWaalsContact O-CG 3.3Å; T323-D327 PolarHBondContact O-N 3.13Å; T323-D327 PolarHBondContact OG1-OD2 3.23Å
324	L	93.3	Very high	93	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.063	31%	0.314	C	S	.	.	H	α-helix	trans	-51.1	-50.3	-171.2	173.2	58.7	0	0	0	112.7	T301 Y320 Q321 T326 D327 M328 P359	T301-L324 HydrophobicContact CG2-CD1 3.4Å; T301-L324 VanDerWaalsContact CG2-CD1 3.4Å; Y320-L324 HydrophobicContact CG-CD2 4.19Å; Q321-L324 HydrophobicContact CG-CB 4.17Å; Q321-L324 WeakPolarHBondContact O-CB 3.48Å; Q321-L324 PolarHBondContact O-N 2.62Å; L324-T326 VanDerWaalsContact C-N 3.32Å; L324-T326 PolarHBondContact O-N 2.85Å; L324-D327 PolarHBondContact O-N 2.8Å; L324-M328 VanDerWaalsContact O-CB 3.31Å; L324-M328 WeakPolarHBondContact O-CB 3.41Å; L324-M328 PolarHBondContact O-N 3.18Å; L324-P359 HydrophobicContact CD2-CB 3.99Å
325	A	93.5	Very high	93.1	Very high	65 Å²	65	42.3 Å²	42.3	54%	0.537	28%	0.278	S	S	.	.	H	α-helix	trans	-63.3	-38	179.6	0	0	0	0	0	112.5	T323 G329 T363	T323-A325 VanDerWaalsContact C-N 3.34Å; T323-A325 PolarHBondContact O-N 3.39Å; A325-G329 PolarHBondContact O-N 2.86Å; A325-T363 HydrophobicContact CB-CG2 4.44Å
326	T	93.3	Very high	93.1	Very high	99 Å²	99	39.2 Å²	39.2	61%	0.607	26%	0.258	S	S	*	.	H	α-helix	trans	-70.9	-45.8	178.3	-50.3	0	0	0	0	111.5	T323 L324 G329 S330	T323-T326 WeakPolarHBondContact O-CA 3.4Å; T323-T326 WeakPolarHBondContact O-CB 3.47Å; T323-T326 PolarHBondContact O-N 3.19Å; L324-T326 VanDerWaalsContact C-N 3.32Å; L324-T326 PolarHBondContact O-N 2.85Å; T326-G329 PolarHBondContact O-N 2.87Å; T326-S330 VanDerWaalsContact O-CB 3.3Å; T326-S330 WeakPolarHBondContact O-CB 3.3Å; T326-S330 PolarHBondContact O-N 3.31Å; T326-S330 PolarHBondContact O-OG 2.97Å
327	D	93.4	Very high	93.1	Very high	47 Å²	47	36.8 Å²	36.8	25%	0.251	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-45.8	-178.5	-62.9	-30.2	0	0	0	109.9	T323 L324 S330 M331	T323-D327 WeakPolarHBondContact CB-OD2 3.41Å; T323-D327 VanDerWaalsContact O-CG 3.3Å; T323-D327 PolarHBondContact O-N 3.13Å; T323-D327 PolarHBondContact OG1-OD2 3.23Å; L324-D327 PolarHBondContact O-N 2.8Å; D327-S330 PolarHBondContact O-OG 2.89Å; D327-M331 PolarHBondContact O-N 2.94Å
328	M	94.3	Very high	93.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.7	-51	174.7	-172.7	58.7	67.8	0	0	111.4	I297 F300 T301 L324 S330 M331 Q332 T363	I297-M328 HydrophobicContact CD1-CE 4.34Å; I297-M328 HydrophobicContact CD1-SD 4.22Å; I297-M328 HydrophobicContact CG1-CE 3.95Å; I297-M328 HydrophobicContact CG1-SD 4.12Å; F300-M328 HydrophobicContact CD1-CE 4.02Å; F300-M328 HydrophobicContact CE1-CE 4.37Å; T301-M328 WeakPolarHBondContact OG1-CE 3.48Å; L324-M328 VanDerWaalsContact O-CB 3.31Å; L324-M328 WeakPolarHBondContact O-CB 3.41Å; L324-M328 PolarHBondContact O-N 3.18Å; M328-S330 VanDerWaalsContact C-N 3.32Å; M328-S330 PolarHBondContact O-N 2.9Å; M328-M331 PolarHBondContact O-N 3.47Å; M328-M331 VanDerWaalsContact O-N 3.14Å; M328-Q332 HydrophobicContact CG-CG 3.89Å; M328-Q332 WeakPolarHBondContact O-CB 3.43Å; M328-Q332 VanDerWaalsContact O-CG 3.26Å; M328-Q332 WeakPolarHBondContact O-CG 3.14Å; M328-Q332 PolarHBondContact O-N 3.38Å; M328-Q332 HydrophobicContact SD-CG 3.7Å; M328-Q332 PolarHBondContact SD-NE2 3.28Å; M328-Q332 VanDerWaalsContact SD-NE2 3.35Å; M328-T363 HydrophobicContact CB-CG2 3.95Å; M328-T363 HydrophobicContact CG-CG2 4.06Å
329	G	94.2	Very high	93.4	Very high	13 Å²	13	38.5 Å²	38.5	13%	0.134	22%	0.224	C	C	.	.	H	α-helix	trans	-58.4	-41.9	-179.9	0	0	0	0	0	112.6	A325 T326 M331 Q332 E333	A325-G329 PolarHBondContact O-N 2.86Å; T326-G329 PolarHBondContact O-N 2.87Å; G329-M331 PolarHBondContact O-N 2.93Å; G329-Q332 PolarHBondContact O-N 2.94Å; G329-E333 VanDerWaalsContact O-CB 3.31Å; G329-E333 WeakPolarHBondContact O-CB 3.4Å; G329-E333 VanDerWaalsContact O-CG 3.23Å; G329-E333 WeakPolarHBondContact O-CG 3.33Å; G329-E333 PolarHBondContact O-N 3.48Å
330	S	92.9	Very high	93.4	Very high	64 Å²	64	43.1 Å²	43.1	45%	0.448	23%	0.234	S	C	.	.	H	α-helix	trans	-60.9	-31	179.2	71.1	0	0	0	0	113.7	T326 D327 M328 R334	T326-S330 VanDerWaalsContact O-CB 3.3Å; T326-S330 WeakPolarHBondContact O-CB 3.3Å; T326-S330 PolarHBondContact O-N 3.31Å; T326-S330 PolarHBondContact O-OG 2.97Å; D327-S330 PolarHBondContact O-OG 2.89Å; M328-S330 VanDerWaalsContact C-N 3.32Å; M328-S330 PolarHBondContact O-N 2.9Å; S330-R334 WeakPolarHBondContact O-CD 3.46Å; S330-R334 WeakPolarHBondContact O-CG 3.43Å
331	M	94.8	Very high	93.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-83.9	-45.2	175.8	179.8	-87.8	179.4	0	0	111.3	A272 L273 L276 V294 I297 F300 D327 M328 G329 I335	A272-M331 HydrophobicContact CB-CE 4.31Å; L273-M331 HydrophobicContact CD2-CB 3.84Å; L273-M331 HydrophobicContact CD2-CG 3.91Å; L276-M331 HydrophobicContact CD2-CG 4.19Å; L276-M331 WeakPolarHBondContact CD2-O 3.29Å; V294-M331 HydrophobicContact CG2-CE 3.93Å; I297-M331 HydrophobicContact CD1-CE 4.14Å; I297-M331 HydrophobicContact CD1-SD 4.14Å; F300-M331 HydrophobicContact CZ-CB 4.44Å; D327-M331 PolarHBondContact O-N 2.94Å; M328-M331 PolarHBondContact O-N 3.47Å; M328-M331 VanDerWaalsContact O-N 3.14Å; G329-M331 PolarHBondContact O-N 2.93Å; M331-I335 HydrophobicContact CE-CD1 3.71Å; M331-I335 HydrophobicContact SD-CD1 3.96Å
332	Q	95.5	Very high	93.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-69.4	-40.7	-175.6	-65.2	-68	-7.9	0	0	112.3	K190 M328 G329 R334 I335 H367	K190-Q332 HydrophobicContact CD-CB 4.47Å; K190-Q332 WeakPolarHBondContact CE-O 3.35Å; M328-Q332 HydrophobicContact CG-CG 3.89Å; M328-Q332 WeakPolarHBondContact O-CB 3.43Å; M328-Q332 VanDerWaalsContact O-CG 3.26Å; M328-Q332 WeakPolarHBondContact O-CG 3.14Å; M328-Q332 PolarHBondContact O-N 3.38Å; M328-Q332 HydrophobicContact SD-CG 3.7Å; M328-Q332 PolarHBondContact SD-NE2 3.28Å; M328-Q332 VanDerWaalsContact SD-NE2 3.35Å; G329-Q332 PolarHBondContact O-N 2.94Å; Q332-R334 PolarHBondContact O-N 3.44Å; Q332-I335 WeakPolarHBondContact O-CB 3.17Å; Q332-I335 PolarHBondContact O-N 3.38Å; Q332-H367 HydrophobicContact CB-CB 4.05Å; Q332-H367 HydrophobicContact CG-CB 4.09Å
333	E	94.2	Very high	93.3	Very high	88 Å²	88	38.9 Å²	38.9	41%	0.411	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-21.4	-177.3	-65.8	-55.7	140.5	0	0	113.2	A159 G329 I335 H367	A159-E333 HydrophobicContact CB-CB 4.13Å; G329-E333 VanDerWaalsContact O-CB 3.31Å; G329-E333 WeakPolarHBondContact O-CB 3.4Å; G329-E333 VanDerWaalsContact O-CG 3.23Å; G329-E333 WeakPolarHBondContact O-CG 3.33Å; G329-E333 PolarHBondContact O-N 3.48Å; E333-I335 VanDerWaalsContact C-N 3.27Å; E333-I335 PolarHBondContact O-N 3Å; E333-H367 IonicContact OE1-CE1 2.77Å; E333-H367 PolarHBondContact OE1-CE1 3.2Å; E333-H367 IonicContact OE1-ND1 3.28Å; E333-H367 PolarHBondContact OE1-ND1 3.25Å
334	R	95.5	Very high	93.4	Very high	5 Å²	5	37.3 Å²	37.3	2%	0.019	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-23.7	171.1	-75.8	168.4	67.4	176.6	1	112.6	I155 Q157 A159 L276 T277 E280 R283 S330 Q332 T336	I155-R334 PolarHBondContact O-NH1 3.16Å; I155-R334 PolarHBondContact O-NH2 3.38Å; Q157-R334 WeakPolarHBondContact O-CD 3.4Å; A159-R334 HydrophobicContact CB-CG 4.19Å; L276-R334 HydrophobicContact CD1-CB 4.45Å; L276-R334 HydrophobicContact CD2-CB 3.67Å; L276-R334 HydrophobicContact CD2-CG 4.4Å; L276-R334 HydrophobicContact CG-CB 4.36Å; T277-R334 PolarHBondContact OG1-NH2 3.43Å; T277-R334 VanDerWaalsContact OG1-NH2 3.1Å; E280-R334 VanDerWaalsContact CD-NH2 3.26Å; E280-R334 IonicContact OE1-CZ 2.8Å; E280-R334 IonicContact OE1-NE 3.93Å; E280-R334 PolarHBondContact OE1-NE 3.42Å; E280-R334 IonicContact OE1-NH2 3.65Å; E280-R334 PolarHBondContact OE1-NH2 3.1Å; E280-R334 IonicContact OE2-CZ 3.73Å; E280-R334 IonicContact OE2-NE 3.93Å; E280-R334 IonicContact OE2-NH2 2.69Å; E280-R334 PolarHBondContact OE2-NH2 3.05Å; R283-R334 PolarHBondContact NH1-O 3.31Å; S330-R334 WeakPolarHBondContact O-CD 3.46Å; S330-R334 WeakPolarHBondContact O-CG 3.43Å; Q332-R334 PolarHBondContact O-N 3.44Å; R334-T336 PolarHBondContact O-N 3.49Å
335	I	94.8	Very high	93.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.	S	Bend	trans	-83.1	98	174.8	-58.1	167.6	0	0	0	107.9	K190 L276 L292 M331 Q332 E333 I343	K190-I335 WeakPolarHBondContact CE-O 3.42Å; K190-I335 HydrophobicContact CG-CB 4.36Å; K190-I335 HydrophobicContact CG-CG2 3.96Å; K190-I335 PolarHBondContact NZ-O 3.5Å; L276-I335 HydrophobicContact CD1-CG1 3.75Å; L292-I335 HydrophobicContact CD2-CD1 3.97Å; L292-I335 HydrophobicContact CD2-CG1 4.16Å; M331-I335 HydrophobicContact CE-CD1 3.71Å; M331-I335 HydrophobicContact SD-CD1 3.96Å; Q332-I335 WeakPolarHBondContact O-CB 3.17Å; Q332-I335 PolarHBondContact O-N 3.38Å; E333-I335 VanDerWaalsContact C-N 3.27Å; E333-I335 PolarHBondContact O-N 3Å; I335-I343 HydrophobicContact CG2-CB 4.45Å; I335-I343 HydrophobicContact CG2-CG2 4.07Å; I335-I343 VanDerWaalsContact CG2-O 3.25Å; I335-I343 WeakPolarHBondContact CG2-O 3.26Å
336	T	93.6	Very high	93.6	Very high	19 Å²	19	33.9 Å²	33.9	12%	0.117	17%	0.174	C	C	.	.			trans	-156.5	165.7	-178.1	-169.2	0	0	0	0	111	P160 M165 R334 I343	P160-T336 HydrophobicContact CB-CG2 4.26Å; P160-T336 HydrophobicContact CG-CG2 3.72Å; M165-T336 HydrophobicContact CE-CG2 4.48Å; M165-T336 HydrophobicContact CG-CG2 4.45Å; R334-T336 PolarHBondContact O-N 3.49Å; T336-I343 PolarHBondContact O-N 3.29Å
337	S	92.6	Very high	93.6	Very high	18 Å²	18	29.2 Å²	29.2	13%	0.126	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-84.7	133.6	168.5	55.1	0	0	0	0	110.6	M165 S166	M165-S337 WeakPolarHBondContact CA-O 3.48Å; S166-S337 PolarHBondContact N-O 2.91Å
338	T	92.7	Very high	93.5	Very high	11 Å²	11	27 Å²	27	7%	0.067	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-113.8	171.7	172.4	68.5	0	0	0	0	109.4	P160 E164 K340 G341	P160-T338 HydrophobicContact CB-CG2 4.07Å; P160-T338 HydrophobicContact CG-CG2 4.03Å; E164-T338 CarbonylContact O-C 3.55Å; E164-T338 VanDerWaalsContact O-CA 3.23Å; E164-T338 WeakPolarHBondContact O-CA 3.3Å; T338-K340 PolarHBondContact O-N 2.78Å; T338-K340 PolarHBondContact OG1-N 2.94Å; T338-G341 PolarHBondContact N-O 2.69Å; T338-G341 PolarHBondContact O-N 3.32Å; T338-G341 PolarHBondContact OG1-N 3.38Å; T338-G341 PolarHBondContact OG1-O 2.83Å
339	R	88.8	Confident	93.2	Very high	192 Å²	192	27.3 Å²	27.3	73%	0.725	14%	0.135	S	C	*	.	S	Bend	trans	-60.8	-21	173.2	-67	177.5	-171.2	-171.1	1.6	114.5	I163 E164	I163-R339 PolarHBondContact O-NE 3.03Å; I163-R339 VanDerWaalsContact O-NE 3.14Å; I163-R339 PolarHBondContact O-NH2 2.79Å; E164-R339 PolarHBondContact O-N 3.07Å
340	K	89.8	Confident	92.8	Very high	136 Å²	136	32.8 Å²	32.8	59%	0.591	15%	0.153	S	C	*	.	S	Bend	trans	-93.3	-33.8	-177.3	-67.1	-179.6	178.2	173.6	0	112.8	D284 G287 T338	D284-K340 VanDerWaalsContact O-CD 3.31Å; D284-K340 WeakPolarHBondContact O-CD 3.42Å; D284-K340 PolarHBondContact O-NZ 3.37Å; G287-K340 CarbonylContact C-O 3.43Å; G287-K340 WeakPolarHBondContact CA-O 3.1Å; G287-K340 VanDerWaalsContact O-O 3.06Å; T338-K340 PolarHBondContact O-N 2.78Å; T338-K340 PolarHBondContact OG1-N 2.94Å
341	G	91.3	Very high	92.2	Very high	8 Å²	8	30.8 Å²	30.8	8%	0.082	14%	0.138	C	C	.	.			trans	179.1	176.7	-175.7	0	0	0	0	0	110.8	R283 T338	R283-G341 WeakPolarHBondContact CG-O 3.36Å; T338-G341 PolarHBondContact N-O 2.69Å; T338-G341 PolarHBondContact O-N 3.32Å; T338-G341 PolarHBondContact OG1-N 3.38Å; T338-G341 PolarHBondContact OG1-O 2.83Å
342	S	93.4	Very high	91.4	Very high	4 Å²	4	32 Å²	32	3%	0.028	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-125.3	152.8	-176.8	67.7	0	0	0	0	113.7	D289 V290	D289-S342 WeakPolarHBondContact CA-O 3.18Å; D289-S342 VanDerWaalsContact CG-OG 3.28Å; D289-S342 WeakPolarHBondContact OD1-CB 3.3Å; D289-S342 PolarHBondContact OD1-N 3.36Å; D289-S342 PolarHBondContact OD1-OG 2.86Å; V290-S342 PolarHBondContact N-O 2.99Å
343	I	95.2	Very high	90.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	107.4	164.7	-62.7	165.2	0	0	0	107.3	G188 L276 A279 E280 R283 V290 L292 I335 T336	G188-I343 CarbonylContact C-O 3.41Å; G188-I343 VanDerWaalsContact CA-O 3.29Å; G188-I343 WeakPolarHBondContact CA-O 3.41Å; L276-I343 HydrophobicContact CD1-CD1 4.18Å; A279-I343 HydrophobicContact CB-CD1 4.04Å; A279-I343 HydrophobicContact CB-CG1 4.27Å; A279-I343 HydrophobicContact CB-CG2 4.34Å; E280-I343 HydrophobicContact CG-CD1 3.83Å; R283-I343 HydrophobicContact CB-CD1 4.15Å; R283-I343 HydrophobicContact CB-CG1 3.97Å; R283-I343 HydrophobicContact CG-CG1 4.28Å; V290-I343 HydrophobicContact CB-CG1 4.42Å; V290-I343 WeakPolarHBondContact O-CA 2.85Å; L292-I343 HydrophobicContact CB-CG2 3.78Å; L292-I343 HydrophobicContact CD2-CG2 4.34Å; I335-I343 HydrophobicContact CG2-CB 4.45Å; I335-I343 HydrophobicContact CG2-CG2 4.07Å; I335-I343 VanDerWaalsContact CG2-O 3.25Å; I335-I343 WeakPolarHBondContact CG2-O 3.26Å; T336-I343 PolarHBondContact O-N 3.29Å
344	T	94.8	Very high	89.6	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.018	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	125.1	171.4	-53.8	0	0	0	0	108.1	L172 G188 G189 I191 V290 L291 L292	L172-T344 HydrophobicContact CD2-CG2 3.97Å; G188-T344 PolarHBondContact N-OG1 3.23Å; G189-T344 CarbonylContact O-C 3.58Å; G189-T344 WeakPolarHBondContact O-CA 3.33Å; I191-T344 HydrophobicContact CD1-CG2 3.42Å; I191-T344 VanDerWaalsContact CD1-CG2 3.42Å; V290-T344 PolarHBondContact O-N 3.31Å; L291-T344 CarbonylContact C-O 3.55Å; L291-T344 VanDerWaalsContact CA-O 3.3Å; L291-T344 WeakPolarHBondContact CA-O 3.49Å; L291-T344 HydrophobicContact CD2-CG2 4.19Å; L292-T344 PolarHBondContact N-O 2.73Å
345	S	95.4	Very high	88.9	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	140.5	-177.7	67.6	0	0	0	0	113.2	G189 K190 I191 L292 Q347	G189-S345 PolarHBondContact O-N 2.97Å; K190-S345 WeakPolarHBondContact CA-OG 3.48Å; I191-S345 WeakPolarHBondContact CB-O 3.4Å; I191-S345 WeakPolarHBondContact CD1-O 3.46Å; I191-S345 PolarHBondContact N-O 3.37Å; L292-S345 CarbonylContact O-C 3.59Å; L292-S345 WeakPolarHBondContact O-CA 3.16Å; L292-S345 WeakPolarHBondContact O-CB 3.42Å; S345-Q347 PolarHBondContact OG-NE2 3.44Å
346	V	94.6	Very high	88.2	Confident	5 Å²	5	47.6 Å²	47.6	3%	0.03	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.3	169.9	-179.1	0	0	0	0	107.7	Y185 I191 L193 L208 L292 F293 V294	Y185-V346 HydrophobicContact CE2-CG2 4.32Å; I191-V346 HydrophobicContact CB-CG2 4.38Å; L193-V346 HydrophobicContact CB-CG1 4.2Å; L193-V346 HydrophobicContact CD2-CG1 4.38Å; L208-V346 HydrophobicContact CD1-CG2 4.38Å; L292-V346 PolarHBondContact O-N 3.4Å; F293-V346 WeakPolarHBondContact CA-O 3.31Å; F293-V346 HydrophobicContact CD1-CB 3.71Å; F293-V346 HydrophobicContact CD1-CG1 4.19Å; F293-V346 HydrophobicContact CD1-CG2 4.37Å; F293-V346 HydrophobicContact CE1-CB 3.76Å; F293-V346 HydrophobicContact CE1-CG1 4.22Å; F293-V346 HydrophobicContact CE1-CG2 3.95Å; V294-V346 PolarHBondContact N-O 2.94Å
347	Q	94.3	Very high	87.8	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	115.5	-168.3	-53	-177.9	25.7	0	0	109.3	I191 L193 V294 I297 S345 I349	I191-Q347 PolarHBondContact O-N 3.34Å; L193-Q347 PolarHBondContact N-O 3.36Å; V294-Q347 HydrophobicContact CB-CB 4.41Å; V294-Q347 HydrophobicContact CB-CG 4.19Å; V294-Q347 HydrophobicContact CG2-CG 4.3Å; V294-Q347 CarbonylContact O-C 3.5Å; V294-Q347 WeakPolarHBondContact O-CA 3.34Å; I297-Q347 HydrophobicContact CB-CB 4.35Å; I297-Q347 HydrophobicContact CG2-CB 4.31Å; S345-Q347 PolarHBondContact OG-NE2 3.44Å; Q347-I349 PolarHBondContact O-N 2.88Å
348	A	91.3	Very high	87.7	Confident	2 Å²	2	52 Å²	52	2%	0.017	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	128.6	172.7	0	0	0	0	0	109.1	L193 V294 D295 N296 I297	L193-A348 WeakPolarHBondContact O-CA 3.18Å; V294-A348 PolarHBondContact O-N 3.43Å; D295-A348 HydrophobicContact CB-CB 4.35Å; D295-A348 WeakPolarHBondContact OD1-CB 3.24Å; N296-A348 HydrophobicContact CB-CB 4.48Å; N296-A348 PolarHBondContact ND2-O 2.84Å; N296-A348 PolarHBondContact OD1-O 3.32Å; I297-A348 WeakPolarHBondContact CG2-O 3.36Å; I297-A348 PolarHBondContact N-O 3.02Å
349	I	87.9	Confident	87.6	Confident	6 Å²	6	52.9 Å²	52.9	3%	0.031	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	125.4	-179.4	-62.9	161.8	0	0	0	108.7	L193 F194 I297 Q347 V351 T364 L368	L193-I349 PolarHBondContact O-N 3.27Å; F194-I349 HydrophobicContact CD1-CB 4.05Å; F194-I349 HydrophobicContact CD1-CG2 4.19Å; F194-I349 HydrophobicContact CE1-CB 3.53Å; F194-I349 HydrophobicContact CE1-CD1 3.99Å; F194-I349 HydrophobicContact CE1-CG1 4.36Å; F194-I349 HydrophobicContact CE1-CG2 3.43Å; F194-I349 VanDerWaalsContact CE1-CG2 3.43Å; F194-I349 HydrophobicContact CE2-CD1 3.98Å; F194-I349 HydrophobicContact CZ-CB 3.82Å; F194-I349 HydrophobicContact CZ-CD1 3.35Å; F194-I349 HydrophobicContact CZ-CG1 4.17Å; F194-I349 HydrophobicContact CZ-CG2 3.98Å; I297-I349 HydrophobicContact CG2-CB 4.44Å; I297-I349 HydrophobicContact CG2-CG1 3.5Å; Q347-I349 PolarHBondContact O-N 2.88Å; I349-V351 HydrophobicContact CG2-CG2 4.42Å; I349-T364 HydrophobicContact CD1-CG2 3.85Å; I349-T364 HydrophobicContact CG1-CG2 4.22Å; I349-L368 HydrophobicContact CD1-CD1 3.43Å; I349-L368 VanDerWaalsContact CD1-CD1 3.43Å; I349-L368 HydrophobicContact CD1-CD2 4.35Å; I349-L368 HydrophobicContact CD1-CG 4.45Å
350	Y	84.9	Confident	87.6	Confident	128 Å²	128	43.8 Å²	43.8	50%	0.502	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-97.8	123.1	169.2	176.7	-97.5	0	0	0	109.2	N296 F298 P352	N296-Y350 PolarHBondContact ND2-N 3.21Å; N296-Y350 PolarHBondContact OD1-N 3.48Å; F298-Y350 AromaticContact CD1-CD1 3.72Å; F298-Y350 HydrophobicContact CD1-CD1 3.72Å; F298-Y350 HydrophobicContact CD1-CG 4.4Å; F298-Y350 WeakPolarHBondContact CD2-O 3.34Å; F298-Y350 AromaticContact CE1-CD1 3.79Å; F298-Y350 HydrophobicContact CE1-CD1 3.79Å; F298-Y350 HydrophobicContact CE1-CE1 4.31Å; F298-Y350 HydrophobicContact CG-CD1 4.15Å; F298-Y350 HydrophobicContact CZ-CD1 4.28Å; Y350-P352 HydrophobicContact CE1-CB 4.27Å
351	V	80.1	Confident	87.5	Confident	21 Å²	21	37.4 Å²	37.4	13%	0.127	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-95.8	116.1	175.1	-176	0	0	0	0	108	F194 I349 A353 D355 L356 P361	F194-V351 HydrophobicContact CD1-CG2 4.02Å; F194-V351 HydrophobicContact CE1-CG2 3.98Å; I349-V351 HydrophobicContact CG2-CG2 4.42Å; V351-A353 PolarHBondContact O-N 3.14Å; V351-D355 WeakPolarHBondContact CG1-O 3.46Å; V351-L356 HydrophobicContact CG1-CD2 4.07Å; V351-L356 HydrophobicContact CG2-CD2 4.01Å; V351-P361 HydrophobicContact CG2-CB 4.49Å
352	P	78.2	Confident	87.5	Confident	25 Å²	25	39 Å²	39	16%	0.162	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-67.8	129.7	178.6	28.3	-32.8	0	0	0	110.2	F298 Y350 D354 D355 D358	F298-P352 HydrophobicContact CE2-CG 4.11Å; F298-P352 HydrophobicContact CZ-CB 4.48Å; F298-P352 HydrophobicContact CZ-CG 4.4Å; Y350-P352 HydrophobicContact CE1-CB 4.27Å; P352-D354 PolarHBondContact O-N 2.86Å; P352-D355 PolarHBondContact O-N 3.34Å; P352-D358 HydrophobicContact CG-CB 3.94Å
353	A	77	Confident	87.3	Confident	95 Å²	95	40.2 Å²	40.2	79%	0.785	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	52.7	25.6	177.6	0	0	0	0	0	115	V351 D355	V351-A353 PolarHBondContact O-N 3.14Å; A353-D355 PolarHBondContact O-N 3.35Å; A353-D355 VanDerWaalsContact O-N 3.12Å
354	D	75.9	Confident	87.1	Confident	150 Å²	150	40.3 Å²	40.3	80%	0.802	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	56	20.3	-173.7	-56.3	-45.9	0	0	0	114.2	P352 L356	P352-D354 PolarHBondContact O-N 2.86Å; D354-L356 PolarHBondContact O-N 2.98Å
355	D	80.6	Confident	86.9	Confident	71 Å²	71	42.9 Å²	42.9	38%	0.38	25%	0.246	S	C	.	.			trans	-89.2	100.7	176.9	-174.7	5.2	0	0	0	111.4	V351 P352 A353 T357 D358	V351-D355 WeakPolarHBondContact CG1-O 3.46Å; P352-D355 PolarHBondContact O-N 3.34Å; A353-D355 PolarHBondContact O-N 3.35Å; A353-D355 VanDerWaalsContact O-N 3.12Å; D355-T357 PolarHBondContact O-N 2.93Å; D355-T357 WeakPolarHBondContact OD1-CA 3.47Å; D355-T357 WeakPolarHBondContact OD1-CB 3.16Å; D355-T357 PolarHBondContact OD1-N 3.32Å; D355-T357 PolarHBondContact OD1-OG1 3.43Å; D355-T357 PolarHBondContact OD2-OG1 2.89Å; D355-D358 WeakPolarHBondContact O-CB 3.47Å; D355-D358 PolarHBondContact O-N 3.41Å
356	L	79.1	Confident	86.7	Confident	105 Å²	105	46.1 Å²	46.1	55%	0.55	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-14.7	176.1	-62.9	173.8	0	0	0	113.3	V351 D354 D358 F365	V351-L356 HydrophobicContact CG1-CD2 4.07Å; V351-L356 HydrophobicContact CG2-CD2 4.01Å; D354-L356 PolarHBondContact O-N 2.98Å; L356-D358 VanDerWaalsContact C-N 3.32Å; L356-F365 HydrophobicContact CD2-CE2 3.66Å; L356-F365 HydrophobicContact CD2-CZ 3.65Å
357	T	86.3	Confident	86.6	Confident	116 Å²	116	47.6 Å²	47.6	71%	0.712	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	-6	178.8	74.6	0	0	0	0	113	D355	D355-T357 PolarHBondContact O-N 2.93Å; D355-T357 WeakPolarHBondContact OD1-CA 3.47Å; D355-T357 WeakPolarHBondContact OD1-CB 3.16Å; D355-T357 PolarHBondContact OD1-N 3.32Å; D355-T357 PolarHBondContact OD1-OG1 3.43Å; D355-T357 PolarHBondContact OD2-OG1 2.89Å
358	D	89.7	Confident	86.6	Confident	14 Å²	14	47.9 Å²	47.9	8%	0.075	28%	0.281	C	S	.	.	S	Bend	trans	-57.1	135.9	172.4	-176.7	-80.1	0	0	0	110.2	Y320 P352 D355 L356 A360 P361 A362	Y320-D358 WeakPolarHBondContact CE2-OD1 3.34Å; Y320-D358 VanDerWaalsContact CZ-OD1 3.26Å; Y320-D358 PolarHBondContact OH-OD1 2.97Å; Y320-D358 PolarHBondContact OH-OD2 2.84Å; P352-D358 HydrophobicContact CG-CB 3.94Å; D355-D358 WeakPolarHBondContact O-CB 3.47Å; D355-D358 PolarHBondContact O-N 3.41Å; L356-D358 VanDerWaalsContact C-N 3.32Å; D358-A360 PolarHBondContact O-N 3.44Å; D358-A360 VanDerWaalsContact O-N 3.13Å; D358-A360 WeakPolarHBondContact OD1-CB 3.45Å; D358-A360 PolarHBondContact OD1-N 3.43Å; D358-P361 HydrophobicContact CB-CG 3.85Å; D358-P361 WeakPolarHBondContact O-CD 3.33Å; D358-P361 WeakPolarHBondContact O-CG 3.38Å; D358-P361 VanDerWaalsContact OD1-CD 3.24Å; D358-P361 WeakPolarHBondContact OD1-CD 3.44Å; D358-A362 WeakPolarHBondContact O-CB 3.32Å; D358-A362 PolarHBondContact O-N 2.71Å
359	P	90.7	Very high	86.6	Confident	30 Å²	30	49.4 Å²	49.4	20%	0.195	29%	0.289	C	S	.	.	H	α-helix	trans	-55.6	-31.3	-176.7	-28.8	34.5	0	0	0	115.3	A317 V318 Y320 L324 T363	A317-P359 HydrophobicContact CB-CG 4Å; V318-P359 HydrophobicContact CB-CG 4.35Å; V318-P359 HydrophobicContact CG2-CG 3.91Å; Y320-P359 HydrophobicContact CD2-CB 3.83Å; Y320-P359 HydrophobicContact CD2-CG 4Å; Y320-P359 HydrophobicContact CE2-CB 4.16Å; Y320-P359 HydrophobicContact CE2-CG 4.26Å; L324-P359 HydrophobicContact CD2-CB 3.99Å; P359-T363 WeakPolarHBondContact O-CB 3.42Å; P359-T363 PolarHBondContact O-N 3.13Å; P359-T363 PolarHBondContact O-OG1 3.32Å
360	A	88.3	Confident	86.9	Confident	1 Å²	1	49.2 Å²	49.2	1%	0.008	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-58.3	-178.2	0	0	0	0	0	113.3	F298 T301 Y320 D358 A362 T364	F298-A360 HydrophobicContact CD2-CB 3.99Å; F298-A360 HydrophobicContact CE2-CB 3.87Å; T301-A360 HydrophobicContact CG2-CB 3.53Å; Y320-A360 HydrophobicContact CE1-CB 3.76Å; Y320-A360 HydrophobicContact CE2-CB 4.19Å; Y320-A360 WeakPolarHBondContact OH-CB 3.3Å; D358-A360 PolarHBondContact O-N 3.44Å; D358-A360 VanDerWaalsContact O-N 3.13Å; D358-A360 WeakPolarHBondContact OD1-CB 3.45Å; D358-A360 PolarHBondContact OD1-N 3.43Å; A360-A362 VanDerWaalsContact C-N 3.35Å; A360-T364 PolarHBondContact O-N 3.29Å; A360-T364 PolarHBondContact O-OG1 3.12Å
361	P	89.1	Confident	87.3	Confident	1 Å²	1	44 Å²	44	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-39.9	173.9	26.7	-34.6	0	0	0	111.2	V351 D358 T363 T364 F365	V351-P361 HydrophobicContact CG2-CB 4.49Å; D358-P361 HydrophobicContact CB-CG 3.85Å; D358-P361 WeakPolarHBondContact O-CD 3.33Å; D358-P361 WeakPolarHBondContact O-CG 3.38Å; D358-P361 VanDerWaalsContact OD1-CD 3.24Å; D358-P361 WeakPolarHBondContact OD1-CD 3.44Å; P361-T363 VanDerWaalsContact C-N 3.32Å; P361-T363 PolarHBondContact O-N 2.95Å; P361-T364 WeakPolarHBondContact O-CB 3.47Å; P361-T364 PolarHBondContact O-N 2.99Å; P361-F365 VanDerWaalsContact C-CD2 3.42Å; P361-F365 HydrophobicContact CB-CD2 4.14Å; P361-F365 HydrophobicContact CB-CE2 3.73Å; P361-F365 WeakPolarHBondContact O-CB 3.35Å; P361-F365 WeakPolarHBondContact O-CD2 3.18Å; P361-F365 WeakPolarHBondContact O-CG 3.3Å; P361-F365 PolarHBondContact O-N 2.99Å
362	A	90	Very high	88	Confident	43 Å²	43	43 Å²	43	36%	0.355	26%	0.264	S	S	.	.	H	α-helix	trans	-56.2	-43.3	179.4	0	0	0	0	0	113.1	D358 A360 A366	D358-A362 WeakPolarHBondContact O-CB 3.32Å; D358-A362 PolarHBondContact O-N 2.71Å; A360-A362 VanDerWaalsContact C-N 3.35Å; A362-A366 PolarHBondContact O-N 3.22Å
363	T	91.1	Very high	88.7	Confident	29 Å²	29	43.2 Å²	43.2	18%	0.178	26%	0.264	C	S	.	.	H	α-helix	trans	-67.6	-40	176.4	-55	0	0	0	0	111.2	A325 M328 P359 P361 A366 H367	A325-T363 HydrophobicContact CB-CG2 4.44Å; M328-T363 HydrophobicContact CB-CG2 3.95Å; M328-T363 HydrophobicContact CG-CG2 4.06Å; P359-T363 WeakPolarHBondContact O-CB 3.42Å; P359-T363 PolarHBondContact O-N 3.13Å; P359-T363 PolarHBondContact O-OG1 3.32Å; P361-T363 VanDerWaalsContact C-N 3.32Å; P361-T363 PolarHBondContact O-N 2.95Å; T363-A366 WeakPolarHBondContact O-CB 3.41Å; T363-A366 PolarHBondContact O-N 3.14Å; T363-H367 PolarHBondContact O-CD2 3.23Å; T363-H367 VanDerWaalsContact O-CD2 3.26Å
364	T	90.9	Very high	89.4	Confident	2 Å²	2	39 Å²	39	1%	0.012	23%	0.229	C	C	.	.	H	α-helix	trans	-64.8	-44.4	178.6	-51.4	0	0	0	0	110.7	I297 I349 A360 P361 A366 H367 L368	I297-T364 HydrophobicContact CG2-CG2 4.01Å; I349-T364 HydrophobicContact CD1-CG2 3.85Å; I349-T364 HydrophobicContact CG1-CG2 4.22Å; A360-T364 PolarHBondContact O-N 3.29Å; A360-T364 PolarHBondContact O-OG1 3.12Å; P361-T364 WeakPolarHBondContact O-CB 3.47Å; P361-T364 PolarHBondContact O-N 2.99Å; T364-A366 PolarHBondContact O-N 3.01Å; T364-H367 PolarHBondContact O-N 3Å; T364-L368 HydrophobicContact CG2-CD2 4.35Å; T364-L368 HydrophobicContact CG2-CG 4.5Å; T364-L368 WeakPolarHBondContact O-CG 3.42Å; T364-L368 PolarHBondContact O-N 3.35Å
365	F	90.4	Very high	90.1	Very high	56 Å²	56	33.1 Å²	33.1	25%	0.246	20%	0.199	C	C	.	.	H	α-helix	trans	-56.8	-32.9	179.4	-76.8	-55.5	0	0	0	113.9	F194 L356 P361 H367 L368 T371	F194-F365 AromaticContact CE1-CE1 3.65Å; F194-F365 HydrophobicContact CE1-CE1 3.65Å; F194-F365 AromaticContact CE1-CZ 3.49Å; F194-F365 HydrophobicContact CE1-CZ 3.49Å; F194-F365 VanDerWaalsContact CE1-CZ 3.49Å; F194-F365 AromaticContact CE2-CE1 3.9Å; F194-F365 HydrophobicContact CE2-CE1 3.9Å; F194-F365 HydrophobicContact CZ-CD1 4.08Å; F194-F365 AromaticContact CZ-CE1 3.08Å; F194-F365 HydrophobicContact CZ-CE1 3.08Å; F194-F365 AromaticContact CZ-CZ 3.48Å; F194-F365 HydrophobicContact CZ-CZ 3.48Å; F194-F365 VanDerWaalsContact CZ-CZ 3.48Å; L356-F365 HydrophobicContact CD2-CE2 3.66Å; L356-F365 HydrophobicContact CD2-CZ 3.65Å; P361-F365 VanDerWaalsContact C-CD2 3.42Å; P361-F365 HydrophobicContact CB-CD2 4.14Å; P361-F365 HydrophobicContact CB-CE2 3.73Å; P361-F365 WeakPolarHBondContact O-CB 3.35Å; P361-F365 WeakPolarHBondContact O-CD2 3.18Å; P361-F365 WeakPolarHBondContact O-CG 3.3Å; P361-F365 PolarHBondContact O-N 2.99Å; F365-H367 PolarHBondContact O-N 2.96Å; F365-L368 HydrophobicContact CD1-CD1 3.79Å; F365-L368 HydrophobicContact CE1-CD1 4.32Å; F365-L368 PolarHBondContact O-N 3.41Å; F365-T371 HydrophobicContact CE1-CG2 4.45Å
366	A	90.6	Very high	90.6	Very high	68 Å²	68	37.1 Å²	37.1	56%	0.562	21%	0.209	S	C	*	.	H	α-helix	trans	-58.3	-32.7	177.6	0	0	0	0	0	112.1	A362 T363 T364 R395	A362-A366 PolarHBondContact O-N 3.22Å; T363-A366 WeakPolarHBondContact O-CB 3.41Å; T363-A366 PolarHBondContact O-N 3.14Å; T364-A366 PolarHBondContact O-N 3.01Å; A366-R395 PolarHBondContact O-NH2 2.98Å
367	H	93.2	Very high	91.1	Very high	36 Å²	36	34.8 Å²	34.8	17%	0.167	21%	0.205	C	C	.	.	H	α-helix	trans	-91.8	-16.1	-177.7	-59.7	-79.2	0	0	0	113.9	K190 Q332 E333 T363 T364 F365	K190-H367 HydrophobicContact CD-CB 4.02Å; K190-H367 WeakPolarHBondContact CD-O 3.42Å; Q332-H367 HydrophobicContact CB-CB 4.05Å; Q332-H367 HydrophobicContact CG-CB 4.09Å; E333-H367 IonicContact OE1-CE1 2.77Å; E333-H367 PolarHBondContact OE1-CE1 3.2Å; E333-H367 IonicContact OE1-ND1 3.28Å; E333-H367 PolarHBondContact OE1-ND1 3.25Å; T363-H367 PolarHBondContact O-CD2 3.23Å; T363-H367 VanDerWaalsContact O-CD2 3.26Å; T364-H367 PolarHBondContact O-N 3Å; F365-H367 PolarHBondContact O-N 2.96Å
368	L	92.9	Very high	91.3	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.031	18%	0.177	C	C	.	.			trans	-77.1	136.9	-173.5	-57.4	174.6	0	0	0	113	K190 F194 I349 T364 F365 T371 R395	K190-L368 HydrophobicContact CB-CD2 4.18Å; K190-L368 CarbonylContact O-C 3.56Å; K190-L368 WeakPolarHBondContact O-CA 3.37Å; F194-L368 HydrophobicContact CZ-CD1 4.34Å; I349-L368 HydrophobicContact CD1-CD1 3.43Å; I349-L368 VanDerWaalsContact CD1-CD1 3.43Å; I349-L368 HydrophobicContact CD1-CD2 4.35Å; I349-L368 HydrophobicContact CD1-CG 4.45Å; T364-L368 HydrophobicContact CG2-CD2 4.35Å; T364-L368 HydrophobicContact CG2-CG 4.5Å; T364-L368 WeakPolarHBondContact O-CG 3.42Å; T364-L368 PolarHBondContact O-N 3.35Å; F365-L368 HydrophobicContact CD1-CD1 3.79Å; F365-L368 HydrophobicContact CE1-CD1 4.32Å; F365-L368 PolarHBondContact O-N 3.41Å; L368-T371 HydrophobicContact CD1-CG2 4.2Å; L368-R395 PolarHBondContact O-NE 2.89Å; L368-R395 VanDerWaalsContact O-NE 3.14Å; L368-R395 PolarHBondContact O-NH1 2.9Å; L368-R395 PolarHBondContact O-NH2 2.96Å
369	D	92.8	Very high	91.3	Very high	35 Å²	35	30.3 Å²	30.3	19%	0.187	18%	0.178	C	C	.	.	S	Bend	trans	-92.2	-28.5	176	-58.6	-59.3	0	0	0	112.9	V186 G189 K190 R395	V186-D369 HydrophobicContact CG1-CB 3.76Å; G189-D369 VanDerWaalsContact CA-OD2 3.25Å; G189-D369 WeakPolarHBondContact CA-OD2 3.28Å; K190-D369 PolarHBondContact N-OD2 3.24Å; K190-D369 PolarHBondContact O-N 2.87Å; D369-R395 WeakPolarHBondContact O-CB 3.49Å; D369-R395 WeakPolarHBondContact O-CG 3.38Å; D369-R395 PolarHBondContact O-N 3.43Å; D369-R395 IonicContact OD1-NH1 3.43Å; D369-R395 PolarHBondContact OD1-NH1 3.08Å
370	A	93	Very high	91.3	Very high	2 Å²	2	36 Å²	36	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.3	175.7	0	0	0	0	0	111.1	Y185 K190 I191 G192 N393	Y185-A370 HydrophobicContact CD1-CB 4.39Å; K190-A370 PolarHBondContact O-N 3.13Å; I191-A370 CarbonylContact C-O 2.89Å; I191-A370 WeakPolarHBondContact CA-O 3.42Å; I191-A370 HydrophobicContact CG1-CB 4.26Å; G192-A370 PolarHBondContact N-O 3.44Å; A370-N393 WeakPolarHBondContact CA-O 3.44Å
371	T	93.2	Very high	91.4	Very high	17 Å²	17	41.3 Å²	41.3	10%	0.104	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	121.2	175.1	59.9	0	0	0	0	109.5	G192 F194 F365 L368 S392 N393	G192-T371 CarbonylContact O-C 3.51Å; G192-T371 WeakPolarHBondContact O-CA 3.39Å; F194-T371 HydrophobicContact CE2-CG2 3.86Å; F365-T371 HydrophobicContact CE1-CG2 4.45Å; L368-T371 HydrophobicContact CD1-CG2 4.2Å; T371-S392 CarbonylContact O-C 3.56Å; T371-S392 VanDerWaalsContact O-CA 3.23Å; T371-S392 WeakPolarHBondContact O-CA 3.36Å; T371-S392 WeakPolarHBondContact O-CB 3.36Å; T371-N393 PolarHBondContact N-O 3.08Å; T371-N393 PolarHBondContact O-N 2.72Å; T371-N393 VanDerWaalsContact OG1-CG 3.24Å; T371-N393 PolarHBondContact OG1-ND2 3.33Å; T371-N393 PolarHBondContact OG1-OD1 2.9Å
372	T	94.2	Very high	91.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	116.4	174.3	-62	0	0	0	0	108.6	Y185 G192 L193 F194 L204 V387	Y185-T372 PolarHBondContact OH-OG1 2.96Å; G192-T372 PolarHBondContact O-N 2.73Å; L193-T372 WeakPolarHBondContact CA-O 3.42Å; L193-T372 HydrophobicContact CD1-CG2 3.91Å; F194-T372 PolarHBondContact N-O 3.25Å; L204-T372 HydrophobicContact CD2-CG2 4.48Å; T372-V387 HydrophobicContact CG2-CG1 3.91Å; T372-V387 HydrophobicContact CG2-CG2 3.79Å
373	V	92.9	Very high	91.5	Very high	30 Å²	30	41.2 Å²	41.2	18%	0.182	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	120.9	-177	-178.3	0	0	0	0	109.2	F194 V387 D388 D391 S392	F194-V373 HydrophobicContact CB-CB 4.41Å; F194-V373 HydrophobicContact CB-CG1 4.3Å; F194-V373 HydrophobicContact CB-CG2 4.14Å; F194-V373 HydrophobicContact CD2-CG2 4.2Å; F194-V373 HydrophobicContact CG-CG2 4.41Å; V373-V387 CarbonylContact O-C 3.53Å; V373-V387 WeakPolarHBondContact O-CA 3.46Å; V373-D388 HydrophobicContact CB-CB 4.43Å; V373-D388 HydrophobicContact CG1-CB 4.48Å; V373-D388 PolarHBondContact O-N 3.27Å; V373-D391 HydrophobicContact CB-CB 4.11Å; V373-D391 HydrophobicContact CG1-CB 4.25Å; V373-D391 HydrophobicContact CG2-CB 4.06Å; V373-S392 PolarHBondContact N-OG 3.48Å
374	L	92.4	Very high	91.6	Very high	7 Å²	7	44.2 Å²	44.2	4%	0.037	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	116.3	169.5	-64.3	94.1	0	0	0	110.3	L193 F194 G195 V199 K201 L204 A386 V387	L193-L374 HydrophobicContact CD1-CD1 3.41Å; L193-L374 VanDerWaalsContact CD1-CD1 3.41Å; L193-L374 HydrophobicContact CD2-CD1 4.4Å; L193-L374 HydrophobicContact CG-CD1 3.75Å; F194-L374 WeakPolarHBondContact O-CD1 3.3Å; F194-L374 PolarHBondContact O-N 2.96Å; G195-L374 WeakPolarHBondContact CA-O 3.25Å; V199-L374 HydrophobicContact CB-CB 4.04Å; V199-L374 HydrophobicContact CG2-CB 3.46Å; V199-L374 VanDerWaalsContact CG2-CB 3.46Å; V199-L374 HydrophobicContact CG2-CD2 4.12Å; V199-L374 HydrophobicContact CG2-CG 4.35Å; V199-L374 WeakPolarHBondContact O-CD2 3.16Å; K201-L374 HydrophobicContact CG-CD1 4.14Å; K201-L374 HydrophobicContact CG-CD2 4.37Å; L204-L374 HydrophobicContact CD2-CD1 4.11Å; L204-L374 HydrophobicContact CD2-CD2 4.13Å; L204-L374 HydrophobicContact CD2-CG 4.45Å; L374-A386 CarbonylContact C-O 3.46Å; L374-A386 WeakPolarHBondContact CA-O 3.48Å; L374-V387 HydrophobicContact CG-CG2 4.34Å
375	S	90.6	Very high	91.7	Very high	26 Å²	26	44.5 Å²	44.5	18%	0.182	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-97.4	136.6	-175.9	178.3	0	0	0	0	111.7	A377 I378 A379 A386	S375-A377 VanDerWaalsContact C-N 3.29Å; S375-A377 PolarHBondContact O-N 3.29Å; S375-A377 PolarHBondContact OG-N 2.8Å; S375-I378 PolarHBondContact O-N 2.89Å; S375-A379 PolarHBondContact O-N 3.04Å; S375-A386 PolarHBondContact N-O 2.68Å
376	R	90.6	Very high	91.8	Very high	156 Å²	156	41.8 Å²	41.8	59%	0.589	23%	0.228	S	C	*	.	H	α-helix	trans	-62.8	-38.1	172.7	-178.8	179.3	-68.1	169.2	0.7	111.5	V199 I378 A379 E380	V199-R376 HydrophobicContact CG1-CB 4.37Å; R376-I378 PolarHBondContact O-N 3.38Å; R376-A379 WeakPolarHBondContact O-CB 3.34Å; R376-A379 PolarHBondContact O-N 2.98Å; R376-A379 VanDerWaalsContact O-N 3.12Å; R376-E380 WeakPolarHBondContact CD-OE1 3.45Å; R376-E380 HydrophobicContact CG-CG 4.24Å; R376-E380 WeakPolarHBondContact CG-OE1 3.34Å; R376-E380 WeakPolarHBondContact O-CG 3.48Å; R376-E380 PolarHBondContact O-N 3.33Å
377	A	90.2	Very high	92	Very high	56 Å²	56	38.9 Å²	38.9	46%	0.463	20%	0.203	S	C	.	.	H	α-helix	trans	-59.9	-36	-179	0	0	0	0	0	111.7	S375 L381	S375-A377 VanDerWaalsContact C-N 3.29Å; S375-A377 PolarHBondContact O-N 3.29Å; S375-A377 PolarHBondContact OG-N 2.8Å; A377-L381 WeakPolarHBondContact O-CG 3.27Å; A377-L381 PolarHBondContact O-N 2.77Å
378	I	91.5	Very high	92	Very high	22 Å²	22	38.1 Å²	38.1	11%	0.113	20%	0.2	C	C	.	.	H	α-helix	trans	-74.9	-38.6	177.7	-60.4	179.1	0	0	0	111.1	S375 R376 E380 L381 I383 A386 V387 D388	S375-I378 PolarHBondContact O-N 2.89Å; R376-I378 PolarHBondContact O-N 3.38Å; I378-E380 VanDerWaalsContact C-N 3.31Å; I378-E380 PolarHBondContact O-N 2.87Å; I378-L381 WeakPolarHBondContact O-CB 3.14Å; I378-L381 PolarHBondContact O-N 3.38Å; I378-I383 HydrophobicContact CG2-CB 3.75Å; I378-I383 HydrophobicContact CG2-CG2 3.82Å; I378-I383 PolarHBondContact O-N 3.22Å; I378-A386 HydrophobicContact CB-CB 4.38Å; I378-A386 HydrophobicContact CG2-CB 4.3Å; I378-V387 VanDerWaalsContact CD1-O 3.25Å; I378-V387 WeakPolarHBondContact CD1-O 3.39Å; I378-D388 VanDerWaalsContact CD1-CA 3.42Å; I378-D388 HydrophobicContact CD1-CB 3.98Å
379	A	89.4	Confident	92.1	Very high	13 Å²	13	38.3 Å²	38.3	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-37.9	174.2	0	0	0	0	0	112.3	S375 R376 L381 G382 Y384 A386	S375-A379 PolarHBondContact O-N 3.04Å; R376-A379 WeakPolarHBondContact O-CB 3.34Å; R376-A379 PolarHBondContact O-N 2.98Å; R376-A379 VanDerWaalsContact O-N 3.12Å; A379-L381 VanDerWaalsContact C-N 3.28Å; A379-L381 PolarHBondContact O-N 3.23Å; A379-G382 WeakPolarHBondContact O-CA 3.31Å; A379-G382 PolarHBondContact O-N 2.82Å; A379-Y384 HydrophobicContact CB-CE1 4.36Å; A379-Y384 PolarHBondContact O-OH 3.35Å; A379-A386 HydrophobicContact CB-CB 3.85Å
380	E	90.6	Very high	92.1	Very high	150 Å²	150	38.9 Å²	38.9	70%	0.701	21%	0.205	S	C	*	.	H	α-helix	trans	-65.3	-29.3	175.4	-74.5	173	-174.6	0	0	112.8	R376 I378 G382	R376-E380 WeakPolarHBondContact CD-OE1 3.45Å; R376-E380 HydrophobicContact CG-CG 4.24Å; R376-E380 WeakPolarHBondContact CG-OE1 3.34Å; R376-E380 WeakPolarHBondContact O-CG 3.48Å; R376-E380 PolarHBondContact O-N 3.33Å; I378-E380 VanDerWaalsContact C-N 3.31Å; I378-E380 PolarHBondContact O-N 2.87Å; E380-G382 PolarHBondContact O-N 3.21Å
381	L	90.2	Very high	92	Very high	112 Å²	112	42.8 Å²	42.8	59%	0.586	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-4.2	171.3	-64.1	172.3	0	0	0	113	A377 I378 A379 I383	A377-L381 WeakPolarHBondContact O-CG 3.27Å; A377-L381 PolarHBondContact O-N 2.77Å; I378-L381 WeakPolarHBondContact O-CB 3.14Å; I378-L381 PolarHBondContact O-N 3.38Å; A379-L381 VanDerWaalsContact C-N 3.28Å; A379-L381 PolarHBondContact O-N 3.23Å; L381-I383 VanDerWaalsContact C-N 3.26Å; L381-I383 HydrophobicContact CB-CD1 4.04Å; L381-I383 HydrophobicContact CB-CG1 4.11Å; L381-I383 HydrophobicContact CD1-CD1 4.32Å; L381-I383 PolarHBondContact O-N 3.1Å
382	G	90.4	Very high	92	Very high	27 Å²	27	42.1 Å²	42.1	28%	0.278	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	18.1	-176.7	0	0	0	0	0	113.9	A379 E380 F497	A379-G382 WeakPolarHBondContact O-CA 3.31Å; A379-G382 PolarHBondContact O-N 2.82Å; E380-G382 PolarHBondContact O-N 3.21Å; G382-F497 WeakPolarHBondContact O-CE2 3.29Å; G382-F497 WeakPolarHBondContact O-CZ 3.36Å
383	I	91.3	Very high	92	Very high	15 Å²	15	46.1 Å²	46.1	8%	0.077	24%	0.243	C	C	.	.			trans	-91.7	118.2	179.9	-63.4	174	0	0	0	108.5	I378 L381 Q450	I378-I383 HydrophobicContact CG2-CB 3.75Å; I378-I383 HydrophobicContact CG2-CG2 3.82Å; I378-I383 PolarHBondContact O-N 3.22Å; L381-I383 VanDerWaalsContact C-N 3.26Å; L381-I383 HydrophobicContact CB-CD1 4.04Å; L381-I383 HydrophobicContact CB-CG1 4.11Å; L381-I383 HydrophobicContact CD1-CD1 4.32Å; L381-I383 PolarHBondContact O-N 3.1Å; I383-Q450 HydrophobicContact CD1-CB 4.09Å
384	Y	91.9	Very high	92	Very high	92 Å²	92	45.3 Å²	45.3	36%	0.361	24%	0.238	S	C	.	.	S	Bend	trans	-125	134.9	178.5	-66.4	-81.1	0	0	0	110.9	A379 S454 Q455	A379-Y384 HydrophobicContact CB-CE1 4.36Å; A379-Y384 PolarHBondContact O-OH 3.35Å; Y384-S454 CarbonylContact O-C 3.59Å; Y384-S454 WeakPolarHBondContact O-CA 3.5Å; Y384-S454 VanDerWaalsContact O-CB 3.26Å; Y384-S454 WeakPolarHBondContact O-CB 3.44Å; Y384-Q455 PolarHBondContact O-N 2.72Å
385	P	93.8	Very high	91.9	Very high	8 Å²	8	51.8 Å²	51.8	5%	0.052	26%	0.263	C	S	.	.	S	Bend	cis	-67.5	145	0	29.5	-36.1	0	0	0	112.9	I176 V178 V387 F457	I176-P385 HydrophobicContact CG2-CG 4.15Å; V178-P385 HydrophobicContact CG1-CG 3.71Å; P385-V387 HydrophobicContact CB-CG2 4.1Å; P385-V387 HydrophobicContact CG-CG2 4.46Å; P385-V387 PolarHBondContact O-N 3.4Å; P385-F457 HydrophobicContact CB-CE2 3.94Å; P385-F457 HydrophobicContact CB-CZ 3.58Å; P385-F457 HydrophobicContact CG-CE1 4.22Å; P385-F457 HydrophobicContact CG-CE2 4.44Å; P385-F457 HydrophobicContact CG-CZ 3.63Å
386	A	92.8	Very high	92	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.			trans	-78.5	37.6	-175.2	0	0	0	0	0	113.1	L374 S375 I378 A379	L374-A386 CarbonylContact C-O 3.46Å; L374-A386 WeakPolarHBondContact CA-O 3.48Å; S375-A386 PolarHBondContact N-O 2.68Å; I378-A386 HydrophobicContact CB-CB 4.38Å; I378-A386 HydrophobicContact CG2-CB 4.3Å; A379-A386 HydrophobicContact CB-CB 3.85Å
387	V	94.3	Very high	92.1	Very high	6 Å²	6	44 Å²	44	4%	0.036	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-79	129.1	-176.4	174.5	0	0	0	0	109.8	V178 L204 T372 V373 L374 I378 P385 P389 S392	V178-V387 HydrophobicContact CG1-CB 3.83Å; V178-V387 HydrophobicContact CG1-CG1 4.16Å; V178-V387 HydrophobicContact CG1-CG2 4Å; V178-V387 HydrophobicContact CG2-CB 3.84Å; V178-V387 HydrophobicContact CG2-CG1 3.59Å; L204-V387 HydrophobicContact CD2-CG2 4.36Å; T372-V387 HydrophobicContact CG2-CG1 3.91Å; T372-V387 HydrophobicContact CG2-CG2 3.79Å; V373-V387 CarbonylContact O-C 3.53Å; V373-V387 WeakPolarHBondContact O-CA 3.46Å; L374-V387 HydrophobicContact CG-CG2 4.34Å; I378-V387 VanDerWaalsContact CD1-O 3.25Å; I378-V387 WeakPolarHBondContact CD1-O 3.39Å; P385-V387 HydrophobicContact CB-CG2 4.1Å; P385-V387 HydrophobicContact CG-CG2 4.46Å; P385-V387 PolarHBondContact O-N 3.4Å; V387-P389 VanDerWaalsContact O-CD 3.29Å; V387-P389 WeakPolarHBondContact O-CD 3.38Å; V387-S392 WeakPolarHBondContact CG1-OG 3.39Å
388	D	94.1	Very high	92.2	Very high	20 Å²	20	44.2 Å²	44.2	11%	0.107	22%	0.224	C	C	.	.			trans	-77.6	112.8	175	-162.1	-49.9	0	0	0	110.6	V373 I378 L390 D391 S392	V373-D388 HydrophobicContact CB-CB 4.43Å; V373-D388 HydrophobicContact CG1-CB 4.48Å; V373-D388 PolarHBondContact O-N 3.27Å; I378-D388 VanDerWaalsContact CD1-CA 3.42Å; I378-D388 HydrophobicContact CD1-CB 3.98Å; D388-L390 PolarHBondContact O-N 3.41Å; D388-L390 PolarHBondContact OD1-N 2.95Å; D388-D391 HydrophobicContact CB-CB 4.12Å; D388-D391 PolarHBondContact OD1-N 3.48Å; D388-S392 WeakPolarHBondContact O-CB 3.16Å; D388-S392 PolarHBondContact O-N 2.86Å; D388-S392 PolarHBondContact O-OG 2.95Å
389	P	93.3	Very high	92.3	Very high	11 Å²	11	44.7 Å²	44.7	7%	0.071	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.3	-177.2	29.3	-35.7	0	0	0	113.9	L182 V387 L417 L453	L182-P389 HydrophobicContact CD1-CB 3.21Å; V387-P389 VanDerWaalsContact O-CD 3.29Å; V387-P389 WeakPolarHBondContact O-CD 3.38Å; P389-L417 HydrophobicContact CB-CD1 3.67Å; P389-L417 HydrophobicContact CG-CD1 3.49Å; P389-L417 VanDerWaalsContact CG-CD1 3.49Å; P389-L453 HydrophobicContact CB-CD1 4.06Å; P389-L453 HydrophobicContact CG-CD1 4.17Å
390	L	93.1	Very high	92.4	Very high	46 Å²	46	51.1 Å²	51.1	24%	0.241	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-38.7	-178.5	-63.5	175.5	0	0	0	111.7	D388 L417 Q418	D388-L390 PolarHBondContact O-N 3.41Å; D388-L390 PolarHBondContact OD1-N 2.95Å; L390-L417 HydrophobicContact CD2-CB 4.08Å; L390-L417 HydrophobicContact CG-CB 4.46Å; L390-Q418 HydrophobicContact CD2-CB 4.38Å
391	D	92	Very high	92.4	Very high	85 Å²	85	46.6 Å²	46.6	46%	0.455	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.6	179.3	-67.8	-20.7	0	0	0	112.7	V373 D388	V373-D391 HydrophobicContact CB-CB 4.11Å; V373-D391 HydrophobicContact CG1-CB 4.25Å; V373-D391 HydrophobicContact CG2-CB 4.06Å; D388-D391 HydrophobicContact CB-CB 4.12Å; D388-D391 PolarHBondContact OD1-N 3.48Å
392	S	93.5	Very high	92.5	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.014	22%	0.219	C	C	.	.			trans	-82.1	136.8	172.7	-54.7	0	0	0	0	111.6	T371 V373 V387 D388	T371-S392 CarbonylContact O-C 3.56Å; T371-S392 VanDerWaalsContact O-CA 3.23Å; T371-S392 WeakPolarHBondContact O-CA 3.36Å; T371-S392 WeakPolarHBondContact O-CB 3.36Å; V373-S392 PolarHBondContact N-OG 3.48Å; V387-S392 WeakPolarHBondContact CG1-OG 3.39Å; D388-S392 WeakPolarHBondContact O-CB 3.16Å; D388-S392 PolarHBondContact O-N 2.86Å; D388-S392 PolarHBondContact O-OG 2.95Å
393	N	93.2	Very high	92.6	Very high	85 Å²	85	42.3 Å²	42.3	46%	0.455	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	161.9	-177.8	64.4	73.9	0	0	0	111.6	A370 T371	A370-N393 WeakPolarHBondContact CA-O 3.44Å; T371-N393 PolarHBondContact N-O 3.08Å; T371-N393 PolarHBondContact O-N 2.72Å; T371-N393 VanDerWaalsContact OG1-CG 3.24Å; T371-N393 PolarHBondContact OG1-ND2 3.33Å; T371-N393 PolarHBondContact OG1-OD1 2.9Å
394	S	93.7	Very high	92.8	Very high	12 Å²	12	47.9 Å²	47.9	8%	0.084	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.7	175.8	179.3	0	0	0	0	110.5	P184 I396 L397	P184-S394 WeakPolarHBondContact O-CB 3.41Å; P184-S394 PolarHBondContact O-OG 2.87Å; S394-I396 PolarHBondContact O-N 3.21Å; S394-I396 WeakPolarHBondContact OG-CG1 3.46Å; S394-I396 PolarHBondContact OG-N 3.37Å; S394-L397 PolarHBondContact O-N 2.84Å
395	R	90.6	Very high	93	Very high	144 Å²	144	48.3 Å²	48.3	54%	0.543	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.9	176.5	-70.3	-178.7	-175	168.4	-3.2	112.5	A366 L368 D369 L397	A366-R395 PolarHBondContact O-NH2 2.98Å; L368-R395 PolarHBondContact O-NE 2.89Å; L368-R395 VanDerWaalsContact O-NE 3.14Å; L368-R395 PolarHBondContact O-NH1 2.9Å; L368-R395 PolarHBondContact O-NH2 2.96Å; D369-R395 WeakPolarHBondContact O-CB 3.49Å; D369-R395 WeakPolarHBondContact O-CG 3.38Å; D369-R395 PolarHBondContact O-N 3.43Å; D369-R395 IonicContact OD1-NH1 3.43Å; D369-R395 PolarHBondContact OD1-NH1 3.08Å; R395-L397 VanDerWaalsContact C-N 3.31Å; R395-L397 PolarHBondContact O-N 2.81Å
396	I	91.8	Very high	93.1	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.031	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	1.3	-177.9	60.1	150.3	0	0	0	113.6	I171 P184 V186 S394 D398 I401 V402	I171-I396 HydrophobicContact CG1-CD1 4.01Å; P184-I396 HydrophobicContact CB-CD1 3.84Å; P184-I396 HydrophobicContact CB-CG1 4.39Å; P184-I396 HydrophobicContact CG-CD1 3.99Å; P184-I396 HydrophobicContact CG-CG1 4.04Å; P184-I396 WeakPolarHBondContact O-CD1 3.47Å; P184-I396 WeakPolarHBondContact O-CG1 3.45Å; V186-I396 HydrophobicContact CB-CD1 4.17Å; V186-I396 HydrophobicContact CB-CG2 4.05Å; V186-I396 HydrophobicContact CG2-CG2 4.25Å; S394-I396 PolarHBondContact O-N 3.21Å; S394-I396 WeakPolarHBondContact OG-CG1 3.46Å; S394-I396 PolarHBondContact OG-N 3.37Å; I396-D398 PolarHBondContact O-N 3.32Å; I396-I401 HydrophobicContact CB-CD1 4.16Å; I396-I401 HydrophobicContact CB-CG2 4.25Å; I396-I401 HydrophobicContact CG2-CD1 4.2Å; I396-V402 VanDerWaalsContact O-CG1 3.23Å; I396-V402 WeakPolarHBondContact O-CG1 3.21Å
397	L	92.3	Very high	93.3	Very high	13 Å²	13	51.3 Å²	51.3	7%	0.068	26%	0.262	C	S	.	.			trans	-74.5	58.1	171	-166.4	70.9	0	0	0	110.7	P184 S394 R395 V402 Y407 A410	P184-L397 HydrophobicContact CG-CD1 4.31Å; S394-L397 PolarHBondContact O-N 2.84Å; R395-L397 VanDerWaalsContact C-N 3.31Å; R395-L397 PolarHBondContact O-N 2.81Å; L397-V402 HydrophobicContact CD1-CG2 4.37Å; L397-Y407 HydrophobicContact CG-CD2 4.39Å; L397-Y407 WeakPolarHBondContact O-CD2 3.21Å; L397-Y407 WeakPolarHBondContact O-CE2 3.29Å; L397-A410 HydrophobicContact CD1-CB 3.98Å; L397-A410 HydrophobicContact CD2-CB 4.35Å
398	D	92.8	Very high	93.4	Very high	60 Å²	60	54.2 Å²	54.2	32%	0.321	28%	0.282	S	S	.	.	S	Bend	trans	-117.2	132.7	177.7	-174.8	-49.4	0	0	0	108.2	I396 N400 I401 V402	I396-D398 PolarHBondContact O-N 3.32Å; D398-N400 PolarHBondContact O-N 3.31Å; D398-N400 WeakPolarHBondContact OD1-CB 3.32Å; D398-N400 PolarHBondContact OD1-N 3.45Å; D398-N400 PolarHBondContact OD1-ND2 3.18Å; D398-I401 HydrophobicContact CB-CD1 4.03Å; D398-I401 HydrophobicContact CB-CG1 4.42Å; D398-I401 PolarHBondContact O-N 3.33Å; D398-V402 WeakPolarHBondContact O-CG2 3.46Å; D398-V402 PolarHBondContact O-N 2.85Å
399	P	93.4	Very high	93.5	Very high	32 Å²	32	53.5 Å²	53.5	21%	0.208	28%	0.279	C	S	.	.	H	α-helix	trans	-55	-25.2	-180	23.9	-35.8	0	0	0	114.2	I401 G403 E404 Y407	P399-I401 VanDerWaalsContact C-N 3.3Å; P399-I401 PolarHBondContact O-N 3.32Å; P399-G403 CarbonylContact O-C 3.54Å; P399-G403 WeakPolarHBondContact O-CA 3.42Å; P399-G403 PolarHBondContact O-N 3.22Å; P399-G403 VanDerWaalsContact O-N 3.09Å; P399-E404 WeakPolarHBondContact CB-OE1 3.33Å; P399-Y407 HydrophobicContact CB-CD1 4.43Å; P399-Y407 HydrophobicContact CB-CG 4.19Å; P399-Y407 HydrophobicContact CG-CG 4.49Å
400	N	91.6	Very high	93.6	Very high	147 Å²	147	53 Å²	53	79%	0.786	28%	0.275	S	S	*	.	H	α-helix	trans	-72.9	-21.4	177.2	-61.5	-66.4	0	0	0	113.5	D398	D398-N400 PolarHBondContact O-N 3.31Å; D398-N400 WeakPolarHBondContact OD1-CB 3.32Å; D398-N400 PolarHBondContact OD1-N 3.45Å; D398-N400 PolarHBondContact OD1-ND2 3.18Å
401	I	90.7	Very high	93.8	Very high	56 Å²	56	56.1 Å²	56.1	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-104.9	-55.9	-176.9	-56.6	162	0	0	0	110	Q169 I396 D398 P399	Q169-I401 HydrophobicContact CB-CG2 4.33Å; I396-I401 HydrophobicContact CB-CD1 4.16Å; I396-I401 HydrophobicContact CB-CG2 4.25Å; I396-I401 HydrophobicContact CG2-CD1 4.2Å; D398-I401 HydrophobicContact CB-CD1 4.03Å; D398-I401 HydrophobicContact CB-CG1 4.42Å; D398-I401 PolarHBondContact O-N 3.33Å; P399-I401 VanDerWaalsContact C-N 3.3Å; P399-I401 PolarHBondContact O-N 3.32Å
402	V	91.9	Very high	93.9	Very high	19 Å²	19	52.9 Å²	52.9	12%	0.115	27%	0.27	C	S	.	.	H	α-helix	trans	-82	-15.5	-177.4	-66.6	0	0	0	0	113.3	I171 P184 I396 L397 D398 H406	I171-V402 HydrophobicContact CD1-CB 4.33Å; I171-V402 HydrophobicContact CD1-CG1 3.71Å; P184-V402 HydrophobicContact CG-CG1 4.18Å; I396-V402 VanDerWaalsContact O-CG1 3.23Å; I396-V402 WeakPolarHBondContact O-CG1 3.21Å; L397-V402 HydrophobicContact CD1-CG2 4.37Å; D398-V402 WeakPolarHBondContact O-CG2 3.46Å; D398-V402 PolarHBondContact O-N 2.85Å; V402-H406 HydrophobicContact CB-CB 4Å; V402-H406 HydrophobicContact CG2-CB 4.17Å; V402-H406 WeakPolarHBondContact O-CB 3.36Å
403	G	93.3	Very high	94	Very high	29 Å²	29	52.8 Å²	52.8	30%	0.299	27%	0.27	S	S	.	.			trans	86	156.2	-171.9	0	0	0	0	0	113.5	P399 E405 H406 Y407	P399-G403 CarbonylContact O-C 3.54Å; P399-G403 WeakPolarHBondContact O-CA 3.42Å; P399-G403 PolarHBondContact O-N 3.22Å; P399-G403 VanDerWaalsContact O-N 3.09Å; G403-E405 VanDerWaalsContact C-N 3.34Å; G403-E405 PolarHBondContact O-N 2.7Å; G403-H406 PolarHBondContact O-N 3.13Å; G403-Y407 WeakPolarHBondContact O-CB 3.38Å; G403-Y407 PolarHBondContact O-N 2.95Å; G403-Y407 VanDerWaalsContact O-N 3.08Å
404	E	95.2	Very high	94.2	Very high	132 Å²	132	50 Å²	50	62%	0.617	25%	0.254	S	S	*	.	H	α-helix	trans	-61.6	-36.7	-176.7	-72.8	-66.4	168.1	0	0	113.9	P399 S408	P399-E404 WeakPolarHBondContact CB-OE1 3.33Å; E404-S408 VanDerWaalsContact O-CB 3.24Å; E404-S408 WeakPolarHBondContact O-CB 3.32Å; E404-S408 PolarHBondContact O-N 2.82Å; E404-S408 PolarHBondContact O-OG 2.82Å
405	E	95.5	Very high	94.3	Very high	101 Å²	101	55.9 Å²	55.9	47%	0.472	28%	0.278	S	S	.	.	H	α-helix	trans	-67.1	-48.2	-179.6	-173.8	171.3	-151	0	0	111.7	G403 S408 V409 I477 K481	G403-E405 VanDerWaalsContact C-N 3.34Å; G403-E405 PolarHBondContact O-N 2.7Å; E405-S408 PolarHBondContact O-OG 2.97Å; E405-V409 WeakPolarHBondContact O-CB 3.42Å; E405-V409 VanDerWaalsContact O-CG2 3.26Å; E405-V409 WeakPolarHBondContact O-CG2 3.21Å; E405-V409 PolarHBondContact O-N 2.72Å; E405-V409 VanDerWaalsContact O-N 3.11Å; E405-I477 HydrophobicContact CG-CG2 3.84Å; E405-K481 IonicContact OE1-NZ 2.72Å; E405-K481 PolarHBondContact OE1-NZ 3.37Å
406	H	96.6	Very high	94.5	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.019	26%	0.256	C	S	.	.	H	α-helix	trans	-61	-49.6	176.9	-172.4	166.4	0	0	0	110	D180 L181 V402 G403 S408 V409 A410 I477	D180-H406 PolarHBondContact O-CE1 3.06Å; D180-H406 PolarHBondContact O-NE2 3.42Å; D180-H406 VanDerWaalsContact O-NE2 3.08Å; L181-H406 PolarHBondContact O-NE2 2.96Å; V402-H406 HydrophobicContact CB-CB 4Å; V402-H406 HydrophobicContact CG2-CB 4.17Å; V402-H406 WeakPolarHBondContact O-CB 3.36Å; G403-H406 PolarHBondContact O-N 3.13Å; H406-S408 PolarHBondContact O-N 3.17Å; H406-V409 PolarHBondContact O-N 3.16Å; H406-A410 WeakPolarHBondContact O-CB 3.44Å; H406-A410 PolarHBondContact O-N 3.22Å; H406-I477 HydrophobicContact CB-CD1 3.71Å; H406-I477 HydrophobicContact CB-CG1 4.45Å
407	Y	96.3	Very high	94.7	Very high	68 Å²	68	49.8 Å²	49.8	27%	0.267	26%	0.256	S	S	.	.	H	α-helix	trans	-58.5	-49.3	-179.4	-178.2	-95.8	0	0	0	112.6	L397 P399 G403 V409 A410 R411	L397-Y407 HydrophobicContact CG-CD2 4.39Å; L397-Y407 WeakPolarHBondContact O-CD2 3.21Å; L397-Y407 WeakPolarHBondContact O-CE2 3.29Å; P399-Y407 HydrophobicContact CB-CD1 4.43Å; P399-Y407 HydrophobicContact CB-CG 4.19Å; P399-Y407 HydrophobicContact CG-CG 4.49Å; G403-Y407 WeakPolarHBondContact O-CB 3.38Å; G403-Y407 PolarHBondContact O-N 2.95Å; G403-Y407 VanDerWaalsContact O-N 3.08Å; Y407-V409 PolarHBondContact O-N 3.15Å; Y407-A410 PolarHBondContact O-N 3.36Å; Y407-R411 HydrophobicContact CD1-CG 4.18Å; Y407-R411 HydrophobicContact CD2-CG 4.44Å; Y407-R411 HydrophobicContact CE1-CG 3.77Å; Y407-R411 HydrophobicContact CE2-CG 4.1Å; Y407-R411 HydrophobicContact CG-CG 4.5Å; Y407-R411 WeakPolarHBondContact O-CB 3.36Å; Y407-R411 WeakPolarHBondContact O-CG 3.36Å; Y407-R411 PolarHBondContact O-N 2.9Å; Y407-R411 PolarHBondContact OH-NE 2.89Å
408	S	96.4	Very high	94.8	Very high	66 Å²	66	53.5 Å²	53.5	46%	0.462	27%	0.273	S	S	.	.	H	α-helix	trans	-62.8	-41.1	-179	57.4	0	0	0	0	112.5	E404 E405 H406 G412	E404-S408 VanDerWaalsContact O-CB 3.24Å; E404-S408 WeakPolarHBondContact O-CB 3.32Å; E404-S408 PolarHBondContact O-N 2.82Å; E404-S408 PolarHBondContact O-OG 2.82Å; E405-S408 PolarHBondContact O-OG 2.97Å; H406-S408 PolarHBondContact O-N 3.17Å; S408-G412 PolarHBondContact O-N 3Å
409	V	96.4	Very high	94.9	Very high	6 Å²	6	54.1 Å²	54.1	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-46.7	177.1	173.7	0	0	0	0	110.9	L181 E405 H406 Y407 R411 G412 V413 I477 F480 K481 I484	L181-V409 HydrophobicContact CD1-CG1 4.02Å; E405-V409 WeakPolarHBondContact O-CB 3.42Å; E405-V409 VanDerWaalsContact O-CG2 3.26Å; E405-V409 WeakPolarHBondContact O-CG2 3.21Å; E405-V409 PolarHBondContact O-N 2.72Å; E405-V409 VanDerWaalsContact O-N 3.11Å; H406-V409 PolarHBondContact O-N 3.16Å; Y407-V409 PolarHBondContact O-N 3.15Å; V409-R411 PolarHBondContact O-N 3.37Å; V409-G412 PolarHBondContact O-N 2.72Å; V409-V413 WeakPolarHBondContact O-CG2 3.35Å; V409-V413 PolarHBondContact O-N 3.07Å; V409-I477 HydrophobicContact CB-CG2 4.46Å; V409-I477 HydrophobicContact CG2-CG2 4.09Å; V409-F480 HydrophobicContact CG1-CB 3.47Å; V409-F480 VanDerWaalsContact CG1-CB 3.47Å; V409-K481 HydrophobicContact CG2-CB 3.84Å; V409-K481 HydrophobicContact CG2-CD 4.41Å; V409-K481 HydrophobicContact CG2-CG 4.11Å; V409-I484 HydrophobicContact CG1-CD1 4.04Å; V409-I484 WeakPolarHBondContact O-CD1 3.48Å
410	A	95.7	Very high	95	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.8	-44.9	177.9	0	0	0	0	0	112	L181 L182 L397 H406 Y407 V413 Q414	L181-A410 HydrophobicContact CD1-CB 4.48Å; L181-A410 HydrophobicContact CG-CB 4.3Å; L182-A410 HydrophobicContact CD2-CB 4.16Å; L397-A410 HydrophobicContact CD1-CB 3.98Å; L397-A410 HydrophobicContact CD2-CB 4.35Å; H406-A410 WeakPolarHBondContact O-CB 3.44Å; H406-A410 PolarHBondContact O-N 3.22Å; Y407-A410 PolarHBondContact O-N 3.36Å; A410-V413 PolarHBondContact O-N 3.21Å; A410-Q414 WeakPolarHBondContact O-CG 3.36Å; A410-Q414 PolarHBondContact O-N 3.35Å
411	R	96	Very high	95	Very high	111 Å²	111	52.4 Å²	52.4	42%	0.419	25%	0.253	S	S	.	.	H	α-helix	trans	-65.9	-37.5	175.2	-68.7	-58.2	-176.3	-173	0.8	112.7	Y407 V409 Q414 K415	Y407-R411 HydrophobicContact CD1-CG 4.18Å; Y407-R411 HydrophobicContact CD2-CG 4.44Å; Y407-R411 HydrophobicContact CE1-CG 3.77Å; Y407-R411 HydrophobicContact CE2-CG 4.1Å; Y407-R411 HydrophobicContact CG-CG 4.5Å; Y407-R411 WeakPolarHBondContact O-CB 3.36Å; Y407-R411 WeakPolarHBondContact O-CG 3.36Å; Y407-R411 PolarHBondContact O-N 2.9Å; Y407-R411 PolarHBondContact OH-NE 2.89Å; V409-R411 PolarHBondContact O-N 3.37Å; R411-Q414 PolarHBondContact O-N 3.12Å; R411-K415 WeakPolarHBondContact O-CB 3.35Å; R411-K415 PolarHBondContact O-N 3.06Å
412	G	95.7	Very high	95.1	Very high	17 Å²	17	53 Å²	53	18%	0.175	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-44.1	173.6	0	0	0	0	0	112.3	S408 V409 K415 I416	S408-G412 PolarHBondContact O-N 3Å; V409-G412 PolarHBondContact O-N 2.72Å; G412-K415 PolarHBondContact O-N 3.37Å; G412-I416 WeakPolarHBondContact O-CG1 3.32Å; G412-I416 PolarHBondContact O-N 3.48Å; G412-I416 VanDerWaalsContact O-N 3.14Å
413	V	96	Very high	95.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-51.6	173.6	168.9	0	0	0	0	110.8	L181 L182 V409 A410 K415 I416 L417 I449 F480 I484	L181-V413 HydrophobicContact CD2-CB 4.48Å; L181-V413 HydrophobicContact CD2-CG2 3.92Å; L182-V413 HydrophobicContact CD1-CG1 4.46Å; L182-V413 HydrophobicContact CD2-CB 4.35Å; L182-V413 HydrophobicContact CD2-CG1 4.13Å; V409-V413 WeakPolarHBondContact O-CG2 3.35Å; V409-V413 PolarHBondContact O-N 3.07Å; A410-V413 PolarHBondContact O-N 3.21Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 3.03Å; V413-I416 PolarHBondContact O-N 3.35Å; V413-L417 HydrophobicContact CG1-CD1 3.66Å; V413-L417 HydrophobicContact CG1-CG 4.36Å; V413-L417 VanDerWaalsContact O-CG 3.3Å; V413-L417 WeakPolarHBondContact O-CG 3.31Å; V413-L417 PolarHBondContact O-N 2.93Å; V413-I449 HydrophobicContact CG1-CG2 3.75Å; V413-F480 HydrophobicContact CG2-CB 3.78Å; V413-F480 HydrophobicContact CG2-CD1 3.64Å; V413-F480 HydrophobicContact CG2-CG 3.9Å; V413-I484 HydrophobicContact CG2-CD1 3.8Å; V413-I484 HydrophobicContact CG2-CG1 4.42Å
414	Q	95.7	Very high	95.1	Very high	27 Å²	27	54.8 Å²	54.8	13%	0.126	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-41.9	180	-74.1	179.8	-26	0	0	112.1	L182 A410 R411 L417 Q418	L182-Q414 HydrophobicContact CD2-CG 4.16Å; A410-Q414 WeakPolarHBondContact O-CG 3.36Å; A410-Q414 PolarHBondContact O-N 3.35Å; R411-Q414 PolarHBondContact O-N 3.12Å; Q414-L417 PolarHBondContact O-N 3.43Å; Q414-Q418 VanDerWaalsContact O-CB 3.32Å; Q414-Q418 WeakPolarHBondContact O-CB 3.5Å; Q414-Q418 PolarHBondContact O-N 3.11Å
415	K	96.2	Very high	94.8	Very high	135 Å²	135	54 Å²	54	59%	0.587	26%	0.262	S	S	*	.	H	α-helix	trans	-59.6	-51.8	178.1	-178.6	179.7	171	-175.1	0	111.7	R411 G412 V413 L417 Q418 E419	R411-K415 WeakPolarHBondContact O-CB 3.35Å; R411-K415 PolarHBondContact O-N 3.06Å; G412-K415 PolarHBondContact O-N 3.37Å; V413-K415 VanDerWaalsContact C-N 3.3Å; V413-K415 PolarHBondContact O-N 3.03Å; K415-L417 VanDerWaalsContact C-N 3.3Å; K415-L417 PolarHBondContact O-N 2.96Å; K415-Q418 PolarHBondContact O-N 3.3Å; K415-E419 WeakPolarHBondContact CE-OE1 3.15Å; K415-E419 IonicContact NZ-OE1 2.69Å; K415-E419 WeakPolarHBondContact O-CG 3.2Å; K415-E419 PolarHBondContact O-N 2.99Å
416	I	95.9	Very high	94.5	Very high	17 Å²	17	52.6 Å²	52.6	9%	0.087	26%	0.257	C	S	.	.	H	α-helix	trans	-61.1	-41	-179.9	-68.1	172.3	0	0	0	111	G412 V413 N420 T442 R445 A446 I449 I484	G412-I416 WeakPolarHBondContact O-CG1 3.32Å; G412-I416 PolarHBondContact O-N 3.48Å; G412-I416 VanDerWaalsContact O-N 3.14Å; V413-I416 PolarHBondContact O-N 3.35Å; I416-N420 WeakPolarHBondContact O-CB 3.38Å; I416-N420 PolarHBondContact O-N 3.21Å; I416-T442 HydrophobicContact CG2-CG2 4.42Å; I416-R445 HydrophobicContact CG2-CB 4.33Å; I416-A446 HydrophobicContact CG2-CB 3.8Å; I416-I449 HydrophobicContact CB-CD1 4.13Å; I416-I449 HydrophobicContact CD1-CD1 3.99Å; I416-I449 HydrophobicContact CG2-CD1 3.86Å; I416-I484 HydrophobicContact CD1-CB 4.39Å; I416-I484 HydrophobicContact CD1-CG1 3.96Å; I416-I484 HydrophobicContact CD1-CG2 4.3Å
417	L	95.3	Very high	94.2	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.026	26%	0.262	C	S	.	.	H	α-helix	trans	-67.9	-38.5	179	-68.8	173.7	0	0	0	112.4	P389 L390 V413 Q414 K415 R421 A446 I449 Q450 L453	P389-L417 HydrophobicContact CB-CD1 3.67Å; P389-L417 HydrophobicContact CG-CD1 3.49Å; P389-L417 VanDerWaalsContact CG-CD1 3.49Å; L390-L417 HydrophobicContact CD2-CB 4.08Å; L390-L417 HydrophobicContact CG-CB 4.46Å; V413-L417 HydrophobicContact CG1-CD1 3.66Å; V413-L417 HydrophobicContact CG1-CG 4.36Å; V413-L417 VanDerWaalsContact O-CG 3.3Å; V413-L417 WeakPolarHBondContact O-CG 3.31Å; V413-L417 PolarHBondContact O-N 2.93Å; Q414-L417 PolarHBondContact O-N 3.43Å; K415-L417 VanDerWaalsContact C-N 3.3Å; K415-L417 PolarHBondContact O-N 2.96Å; L417-R421 PolarHBondContact O-N 3.48Å; L417-A446 HydrophobicContact CD2-CB 4.38Å; L417-I449 HydrophobicContact CD1-CG2 4.02Å; L417-I449 HydrophobicContact CD2-CB 4.39Å; L417-I449 HydrophobicContact CD2-CG2 3.91Å; L417-I449 HydrophobicContact CG-CG2 4.09Å; L417-Q450 HydrophobicContact CD2-CG 3.67Å; L417-L453 HydrophobicContact CD1-CD1 4.39Å
418	Q	95.3	Very high	94	Very high	91 Å²	91	54.6 Å²	54.6	43%	0.425	28%	0.284	S	S	.	.	H	α-helix	trans	-66.9	-44	176	-174.4	63.7	24.7	0	0	111.6	L390 Q414 K415 R421 S422	L390-Q418 HydrophobicContact CD2-CB 4.38Å; Q414-Q418 VanDerWaalsContact O-CB 3.32Å; Q414-Q418 WeakPolarHBondContact O-CB 3.5Å; Q414-Q418 PolarHBondContact O-N 3.11Å; K415-Q418 PolarHBondContact O-N 3.3Å; Q418-R421 WeakPolarHBondContact O-CB 2.94Å; Q418-R421 PolarHBondContact O-N 2.98Å; Q418-S422 PolarHBondContact O-N 2.82Å; Q418-S422 VanDerWaalsContact O-N 3.13Å
419	E	94.8	Very high	93.8	Very high	73 Å²	73	58.1 Å²	58.1	34%	0.341	30%	0.297	S	S	.	.	H	α-helix	trans	-61.1	-45.6	175.5	-73.4	170	175.4	0	0	110.9	K415 R421 S422 L423 T442	K415-E419 WeakPolarHBondContact CE-OE1 3.15Å; K415-E419 IonicContact NZ-OE1 2.69Å; K415-E419 WeakPolarHBondContact O-CG 3.2Å; K415-E419 PolarHBondContact O-N 2.99Å; E419-R421 VanDerWaalsContact C-N 3.29Å; E419-R421 PolarHBondContact O-N 2.87Å; E419-S422 WeakPolarHBondContact O-CB 3.22Å; E419-S422 PolarHBondContact O-N 3.47Å; E419-S422 VanDerWaalsContact O-N 3.13Å; E419-L423 WeakPolarHBondContact O-CG 3.43Å; E419-L423 PolarHBondContact O-N 2.91Å; E419-T442 HydrophobicContact CB-CG2 3.84Å
420	N	94.3	Very high	93.5	Very high	6 Å²	6	63 Å²	63	3%	0.032	32%	0.322	C	S	.	.	H	α-helix	trans	-58.4	-40.2	174.4	172.3	67.7	0	0	0	112.3	I416 S422 L423 Q424 A446	I416-N420 WeakPolarHBondContact O-CB 3.38Å; I416-N420 PolarHBondContact O-N 3.21Å; N420-S422 VanDerWaalsContact C-N 3.33Å; N420-S422 PolarHBondContact O-N 3.04Å; N420-L423 CarbonylContact O-C 3.46Å; N420-L423 PolarHBondContact O-N 3.02Å; N420-L423 VanDerWaalsContact O-N 3.16Å; N420-Q424 WeakPolarHBondContact O-CG 3.22Å; N420-Q424 PolarHBondContact O-N 2.88Å; N420-Q424 PolarHBondContact OD1-NE2 2.85Å; N420-A446 HydrophobicContact CB-CB 3.27Å; N420-A446 VanDerWaalsContact CG-CB 3.5Å
421	R	91.8	Very high	93.3	Very high	138 Å²	138	64.3 Å²	64.3	52%	0.521	34%	0.335	S	S	.	.	H	α-helix	trans	-59.7	-43.7	176	-173.9	177.2	179.9	170.3	2.2	111.4	L417 Q418 E419 L423 Q424	L417-R421 PolarHBondContact O-N 3.48Å; Q418-R421 WeakPolarHBondContact O-CB 2.94Å; Q418-R421 PolarHBondContact O-N 2.98Å; E419-R421 VanDerWaalsContact C-N 3.29Å; E419-R421 PolarHBondContact O-N 2.87Å; R421-L423 VanDerWaalsContact C-N 3.33Å; R421-L423 PolarHBondContact O-N 3.18Å; R421-Q424 PolarHBondContact O-N 3.31Å
422	S	92.2	Very high	93	Very high	69 Å²	69	63.3 Å²	63.3	48%	0.483	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-35.5	174.8	-62.8	0	0	0	0	112.8	Q418 E419 N420	Q418-S422 PolarHBondContact O-N 2.82Å; Q418-S422 VanDerWaalsContact O-N 3.13Å; E419-S422 WeakPolarHBondContact O-CB 3.22Å; E419-S422 PolarHBondContact O-N 3.47Å; E419-S422 VanDerWaalsContact O-N 3.13Å; N420-S422 VanDerWaalsContact C-N 3.33Å; N420-S422 PolarHBondContact O-N 3.04Å
423	L	94.1	Very high	92.7	Very high	14 Å²	14	68.8 Å²	68.8	7%	0.073	36%	0.362	C	S	.	.	H	α-helix	trans	-73.7	-27.5	176.8	-66.2	173.5	0	0	0	112.7	E419 N420 R421 D425 I426 I427 L435 D439 T442 V443	E419-L423 WeakPolarHBondContact O-CG 3.43Å; E419-L423 PolarHBondContact O-N 2.91Å; N420-L423 CarbonylContact O-C 3.46Å; N420-L423 PolarHBondContact O-N 3.02Å; N420-L423 VanDerWaalsContact O-N 3.16Å; R421-L423 VanDerWaalsContact C-N 3.33Å; R421-L423 PolarHBondContact O-N 3.18Å; L423-D425 VanDerWaalsContact C-N 3.29Å; L423-D425 PolarHBondContact O-N 3.41Å; L423-I426 HydrophobicContact CD2-CD1 4.23Å; L423-I426 WeakPolarHBondContact O-CB 3.48Å; L423-I426 PolarHBondContact O-N 3.18Å; L423-I426 VanDerWaalsContact O-N 3.11Å; L423-I427 HydrophobicContact CB-CD1 4.48Å; L423-I427 VanDerWaalsContact O-CG1 3.25Å; L423-I427 WeakPolarHBondContact O-CG1 3.47Å; L423-I427 PolarHBondContact O-N 2.87Å; L423-L435 HydrophobicContact CD2-CD2 4.02Å; L423-D439 HydrophobicContact CD1-CB 3.85Å; L423-D439 HydrophobicContact CD2-CB 4.03Å; L423-T442 HydrophobicContact CD1-CG2 4.29Å; L423-V443 HydrophobicContact CB-CG2 4.02Å; L423-V443 HydrophobicContact CD1-CG2 3.71Å
424	Q	91.3	Very high	92.4	Very high	70 Å²	70	75.5 Å²	75.5	33%	0.327	39%	0.393	S	S	.	.	H	α-helix	trans	-60.1	-38.4	177.4	-73.1	-50.5	-54.4	0	0	112.3	N420 R421 I426 I427 A428	N420-Q424 WeakPolarHBondContact O-CG 3.22Å; N420-Q424 PolarHBondContact O-N 2.88Å; N420-Q424 PolarHBondContact OD1-NE2 2.85Å; R421-Q424 PolarHBondContact O-N 3.31Å; Q424-I426 VanDerWaalsContact C-N 3.28Å; Q424-I426 PolarHBondContact O-N 2.93Å; Q424-I427 PolarHBondContact O-N 3.35Å; Q424-A428 WeakPolarHBondContact O-CB 3.34Å; Q424-A428 PolarHBondContact O-N 2.95Å
425	D	89.4	Confident	92.2	Very high	115 Å²	115	74.9 Å²	74.9	62%	0.615	39%	0.39	S	S	*	.	H	α-helix	trans	-63.1	-38	176.4	-67.4	-26.5	0	0	0	111.3	L423 I429	L423-D425 VanDerWaalsContact C-N 3.29Å; L423-D425 PolarHBondContact O-N 3.41Å; D425-I429 WeakPolarHBondContact O-CG1 3.45Å; D425-I429 PolarHBondContact O-N 3.35Å
426	I	90.2	Very high	92	Very high	72 Å²	72	71.1 Å²	71.1	37%	0.369	38%	0.381	S	S	.	.	H	α-helix	trans	-69.5	-46.5	175.7	-59.1	178.8	0	0	0	110.5	L423 Q424 A428 I429 L430 L435	L423-I426 HydrophobicContact CD2-CD1 4.23Å; L423-I426 WeakPolarHBondContact O-CB 3.48Å; L423-I426 PolarHBondContact O-N 3.18Å; L423-I426 VanDerWaalsContact O-N 3.11Å; Q424-I426 VanDerWaalsContact C-N 3.28Å; Q424-I426 PolarHBondContact O-N 2.93Å; I426-A428 VanDerWaalsContact C-N 3.26Å; I426-A428 PolarHBondContact O-N 3.09Å; I426-I429 PolarHBondContact O-N 3.14Å; I426-I429 VanDerWaalsContact O-N 3.09Å; I426-L430 HydrophobicContact CG2-CD1 3.96Å; I426-L430 PolarHBondContact O-N 2.88Å; I426-L435 HydrophobicContact CG2-CD2 3.99Å
427	I	90.4	Very high	91.8	Very high	25 Å²	25	76.4 Å²	76.4	13%	0.128	41%	0.405	C	S	.	.	H	α-helix	trans	-59	-39.7	178.5	-68.1	162.5	0	0	0	110.8	L423 Q424 I429 G431 M432 L435 V443	L423-I427 HydrophobicContact CB-CD1 4.48Å; L423-I427 VanDerWaalsContact O-CG1 3.25Å; L423-I427 WeakPolarHBondContact O-CG1 3.47Å; L423-I427 PolarHBondContact O-N 2.87Å; Q424-I427 PolarHBondContact O-N 3.35Å; I427-I429 PolarHBondContact O-N 3.07Å; I427-G431 VanDerWaalsContact O-CA 3.22Å; I427-G431 WeakPolarHBondContact O-CA 3.26Å; I427-G431 PolarHBondContact O-N 2.72Å; I427-M432 HydrophobicContact CG1-CG 4.38Å; I427-M432 HydrophobicContact CG2-CG 3.76Å; I427-L435 HydrophobicContact CD1-CD1 3.86Å; I427-L435 HydrophobicContact CG1-CD1 3.63Å; I427-L435 HydrophobicContact CG1-CG 4.31Å; I427-V443 HydrophobicContact CD1-CG1 4.17Å; I427-V443 HydrophobicContact CD1-CG2 3.88Å
428	A	91.7	Very high	91.6	Very high	89 Å²	89	83.2 Å²	83.2	74%	0.736	44%	0.437	S	S	*	.	H	α-helix	trans	-65.5	-26.5	179.3	0	0	0	0	0	113.3	Q424 I426	Q424-A428 WeakPolarHBondContact O-CB 3.34Å; Q424-A428 PolarHBondContact O-N 2.95Å; I426-A428 VanDerWaalsContact C-N 3.26Å; I426-A428 PolarHBondContact O-N 3.09Å
429	I	92.5	Very high	91.5	Very high	141 Å²	141	81.5 Å²	81.5	72%	0.723	43%	0.431	S	S	*	.	H	α-helix	trans	-96.7	-51.4	-178.1	-62.7	170.1	0	0	0	111.8	D425 I426 I427	D425-I429 WeakPolarHBondContact O-CG1 3.45Å; D425-I429 PolarHBondContact O-N 3.35Å; I426-I429 PolarHBondContact O-N 3.14Å; I426-I429 VanDerWaalsContact O-N 3.09Å; I427-I429 PolarHBondContact O-N 3.07Å
430	L	90	Very high	91.4	Very high	109 Å²	109	82.2 Å²	82.2	57%	0.571	43%	0.431	S	S	*	.	H	α-helix	trans	-99.4	-21.4	-171	-64	179.5	0	0	0	113.3	I426 E434	I426-L430 HydrophobicContact CG2-CD1 3.96Å; I426-L430 PolarHBondContact O-N 2.88Å; L430-E434 HydrophobicContact CB-CB 3.97Å; L430-E434 HydrophobicContact CB-CG 4.06Å
431	G	90.5	Very high	91.3	Very high	27 Å²	27	85.9 Å²	85.9	28%	0.278	45%	0.45	S	S	.	.			trans	88.5	167.3	-171.5	0	0	0	0	0	113.3	I427 D433	I427-G431 VanDerWaalsContact O-CA 3.22Å; I427-G431 WeakPolarHBondContact O-CA 3.26Å; I427-G431 PolarHBondContact O-N 2.72Å; G431-D433 VanDerWaalsContact C-N 3.27Å; G431-D433 PolarHBondContact O-N 3.15Å
432	M	89.4	Confident	91.4	Very high	89 Å²	89	80.5 Å²	80.5	44%	0.438	43%	0.432	S	S	.	.	G	3₁₀ helix	trans	-71	-22.5	-178.9	-62.6	-167.6	-41.6	0	0	113.3	I427 E434 L435 R440	I427-M432 HydrophobicContact CG1-CG 4.38Å; I427-M432 HydrophobicContact CG2-CG 3.76Å; M432-E434 PolarHBondContact O-N 2.74Å; M432-L435 PolarHBondContact O-N 2.81Å; M432-R440 PolarHBondContact O-NE 3.15Å
433	D	90.3	Very high	91.5	Very high	133 Å²	133	77.5 Å²	77.5	71%	0.711	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-71.5	-21.7	-175.2	-64.2	-34.1	0	0	0	112.5	G431 R440	G431-D433 VanDerWaalsContact C-N 3.27Å; G431-D433 PolarHBondContact O-N 3.15Å; D433-R440 VanDerWaalsContact C-NH2 3.31Å; D433-R440 VanDerWaalsContact CA-NH2 3.32Å; D433-R440 PolarHBondContact O-NH2 3.31Å
434	E	90.1	Very high	91.5	Very high	141 Å²	141	78.5 Å²	78.5	66%	0.659	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-87.6	-5.4	179.3	-62.9	-60.3	151.7	0	0	113.5	L430 M432	L430-E434 HydrophobicContact CB-CB 3.97Å; L430-E434 HydrophobicContact CB-CG 4.06Å; M432-E434 PolarHBondContact O-N 2.74Å
435	L	90	Very high	91.6	Very high	13 Å²	13	78 Å²	78	7%	0.068	42%	0.415	C	S	.	.	S	Bend	trans	-74.5	146.4	176.3	-69.3	-176.1	0	0	0	111.6	L423 I426 I427 M432 D439 R440 V443	L423-L435 HydrophobicContact CD2-CD2 4.02Å; I426-L435 HydrophobicContact CG2-CD2 3.99Å; I427-L435 HydrophobicContact CD1-CD1 3.86Å; I427-L435 HydrophobicContact CG1-CD1 3.63Å; I427-L435 HydrophobicContact CG1-CG 4.31Å; M432-L435 PolarHBondContact O-N 2.81Å; L435-D439 HydrophobicContact CB-CB 4.05Å; L435-D439 HydrophobicContact CD1-CB 4.39Å; L435-D439 HydrophobicContact CD2-CB 4.18Å; L435-D439 HydrophobicContact CG-CB 4.45Å; L435-R440 HydrophobicContact CB-CG 3.75Å; L435-R440 PolarHBondContact O-NE 2.89Å; L435-V443 HydrophobicContact CD1-CG2 4.13Å
436	S	92.2	Very high	91.9	Very high	56 Å²	56	72.6 Å²	72.6	39%	0.392	39%	0.385	S	S	.	.			trans	-62.2	156.9	168.8	75.4	0	0	0	0	110.7	E438 D439 R440	S436-E438 PolarHBondContact O-N 2.91Å; S436-D439 PolarHBondContact O-N 2.89Å; S436-D439 VanDerWaalsContact O-N 3.14Å; S436-D439 WeakPolarHBondContact OG-CB 3.39Å; S436-D439 PolarHBondContact OG-N 3.5Å; S436-D439 VanDerWaalsContact OG-N 3.13Å; S436-D439 PolarHBondContact OG-OD2 3.39Å; S436-R440 WeakPolarHBondContact O-CG 3.44Å; S436-R440 PolarHBondContact O-N 2.89Å
437	E	91.7	Very high	92.1	Very high	128 Å²	128	72.5 Å²	72.5	60%	0.598	38%	0.38	S	S	*	.	H	α-helix	trans	-57.8	-35.1	176.6	-69.6	-63.9	127.1	0	0	112	R440 L441	E437-R440 IonicContact OE1-CZ 3.15Å; E437-R440 IonicContact OE1-NH1 3.21Å; E437-R440 PolarHBondContact OE1-NH1 3.39Å; E437-L441 VanDerWaalsContact O-CG 3.3Å; E437-L441 WeakPolarHBondContact O-CG 3.29Å; E437-L441 PolarHBondContact O-N 2.89Å
438	E	91.9	Very high	92.3	Very high	149 Å²	149	71.5 Å²	71.5	70%	0.696	38%	0.375	S	S	*	.	H	α-helix	trans	-66	-45.9	175.5	-172.8	174.6	-177.2	0	0	111.7	S436 R440 L441 T442	S436-E438 PolarHBondContact O-N 2.91Å; E438-R440 VanDerWaalsContact C-N 3.34Å; E438-R440 PolarHBondContact O-N 3.48Å; E438-L441 WeakPolarHBondContact O-CB 3.42Å; E438-L441 PolarHBondContact O-N 3.47Å; E438-T442 PolarHBondContact O-N 3.01Å; E438-T442 PolarHBondContact O-OG1 2.96Å
439	D	93.3	Very high	92.5	Very high	55 Å²	55	67.2 Å²	67.2	29%	0.294	34%	0.34	S	S	.	.	H	α-helix	trans	-64.4	-39.1	177.7	-66.4	-41.6	0	0	0	111.9	L423 L435 S436 L441 T442 V443	L423-D439 HydrophobicContact CD1-CB 3.85Å; L423-D439 HydrophobicContact CD2-CB 4.03Å; L435-D439 HydrophobicContact CB-CB 4.05Å; L435-D439 HydrophobicContact CD1-CB 4.39Å; L435-D439 HydrophobicContact CD2-CB 4.18Å; L435-D439 HydrophobicContact CG-CB 4.45Å; S436-D439 PolarHBondContact O-N 2.89Å; S436-D439 VanDerWaalsContact O-N 3.14Å; S436-D439 WeakPolarHBondContact OG-CB 3.39Å; S436-D439 PolarHBondContact OG-N 3.5Å; S436-D439 VanDerWaalsContact OG-N 3.13Å; S436-D439 PolarHBondContact OG-OD2 3.39Å; D439-L441 VanDerWaalsContact C-N 3.32Å; D439-L441 PolarHBondContact O-N 3.14Å; D439-T442 PolarHBondContact O-N 2.78Å; D439-V443 VanDerWaalsContact O-CG2 3.29Å; D439-V443 WeakPolarHBondContact O-CG2 3.47Å; D439-V443 PolarHBondContact O-N 3.42Å
440	R	92.5	Very high	92.5	Very high	87 Å²	87	63.3 Å²	63.3	33%	0.328	32%	0.319	S	S	.	.	H	α-helix	trans	-61.1	-42	174.2	-71.2	-178.5	-176.6	168.1	-1.2	111.4	M432 D433 L435 S436 E437 E438 V443 S444	M432-R440 PolarHBondContact O-NE 3.15Å; D433-R440 VanDerWaalsContact C-NH2 3.31Å; D433-R440 VanDerWaalsContact CA-NH2 3.32Å; D433-R440 PolarHBondContact O-NH2 3.31Å; L435-R440 HydrophobicContact CB-CG 3.75Å; L435-R440 PolarHBondContact O-NE 2.89Å; S436-R440 WeakPolarHBondContact O-CG 3.44Å; S436-R440 PolarHBondContact O-N 2.89Å; E437-R440 IonicContact OE1-CZ 3.15Å; E437-R440 IonicContact OE1-NH1 3.21Å; E437-R440 PolarHBondContact OE1-NH1 3.39Å; E438-R440 VanDerWaalsContact C-N 3.34Å; E438-R440 PolarHBondContact O-N 3.48Å; R440-V443 PolarHBondContact O-N 2.72Å; R440-S444 WeakPolarHBondContact O-CB 3.22Å; R440-S444 PolarHBondContact O-N 3.41Å
441	L	92.8	Very high	92.7	Very high	84 Å²	84	61.8 Å²	61.8	44%	0.44	31%	0.305	S	S	.	.	H	α-helix	trans	-63.8	-43.5	175	-72.8	171.2	0	0	0	111.3	E437 E438 D439 V443 S444 R445	E437-L441 VanDerWaalsContact O-CG 3.3Å; E437-L441 WeakPolarHBondContact O-CG 3.29Å; E437-L441 PolarHBondContact O-N 2.89Å; E438-L441 WeakPolarHBondContact O-CB 3.42Å; E438-L441 PolarHBondContact O-N 3.47Å; D439-L441 VanDerWaalsContact C-N 3.32Å; D439-L441 PolarHBondContact O-N 3.14Å; L441-V443 PolarHBondContact O-N 2.77Å; L441-S444 PolarHBondContact O-N 2.98Å; L441-R445 WeakPolarHBondContact O-CG 3.19Å; L441-R445 PolarHBondContact O-N 2.69Å
442	T	93.4	Very high	93	Very high	24 Å²	24	60.6 Å²	60.6	15%	0.147	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-45.4	175.9	-62.6	0	0	0	0	111.7	I416 E419 L423 E438 D439 R445 A446	I416-T442 HydrophobicContact CG2-CG2 4.42Å; E419-T442 HydrophobicContact CB-CG2 3.84Å; L423-T442 HydrophobicContact CD1-CG2 4.29Å; E438-T442 PolarHBondContact O-N 3.01Å; E438-T442 PolarHBondContact O-OG1 2.96Å; D439-T442 PolarHBondContact O-N 2.78Å; T442-R445 PolarHBondContact O-N 3.48Å; T442-A446 VanDerWaalsContact O-CB 3.28Å; T442-A446 WeakPolarHBondContact O-CB 3.39Å; T442-A446 PolarHBondContact O-N 3.04Å
443	V	93.9	Very high	93.2	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.042	27%	0.274	C	S	.	.	H	α-helix	trans	-63.3	-43.1	176.3	172.9	0	0	0	0	111.2	L423 I427 L435 D439 R440 L441 A446 R447	L423-V443 HydrophobicContact CB-CG2 4.02Å; L423-V443 HydrophobicContact CD1-CG2 3.71Å; I427-V443 HydrophobicContact CD1-CG1 4.17Å; I427-V443 HydrophobicContact CD1-CG2 3.88Å; L435-V443 HydrophobicContact CD1-CG2 4.13Å; D439-V443 VanDerWaalsContact O-CG2 3.29Å; D439-V443 WeakPolarHBondContact O-CG2 3.47Å; D439-V443 PolarHBondContact O-N 3.42Å; R440-V443 PolarHBondContact O-N 2.72Å; L441-V443 PolarHBondContact O-N 2.77Å; V443-A446 PolarHBondContact O-N 3.41Å; V443-R447 WeakPolarHBondContact O-CB 3.22Å; V443-R447 WeakPolarHBondContact O-CG 3.48Å; V443-R447 PolarHBondContact O-N 2.99Å
444	S	93.3	Very high	93.4	Very high	35 Å²	35	50.5 Å²	50.5	25%	0.245	24%	0.24	C	C	.	.	H	α-helix	trans	-62.2	-46.6	177.1	-172.9	0	0	0	0	111.8	R440 L441 R447 K448	R440-S444 WeakPolarHBondContact O-CB 3.22Å; R440-S444 PolarHBondContact O-N 3.41Å; L441-S444 PolarHBondContact O-N 2.98Å; S444-R447 PolarHBondContact O-N 3.28Å; S444-K448 WeakPolarHBondContact O-CG 3.27Å; S444-K448 PolarHBondContact O-N 2.87Å
445	R	95	Very high	93.6	Very high	60 Å²	60	43.9 Å²	43.9	23%	0.226	21%	0.209	C	C	.	.	H	α-helix	trans	-63.4	-42.7	176.1	-72.1	-176.1	-175.7	169	8.8	111.7	I416 L441 T442 R447 K448 I449 I484 G486 D489	I416-R445 HydrophobicContact CG2-CB 4.33Å; L441-R445 WeakPolarHBondContact O-CG 3.19Å; L441-R445 PolarHBondContact O-N 2.69Å; T442-R445 PolarHBondContact O-N 3.48Å; R445-R447 VanDerWaalsContact C-N 3.35Å; R445-R447 PolarHBondContact O-N 3.4Å; R445-K448 WeakPolarHBondContact O-CB 3.12Å; R445-K448 PolarHBondContact O-N 3.5Å; R445-I449 VanDerWaalsContact O-CG1 3.31Å; R445-I449 WeakPolarHBondContact O-CG1 3.36Å; R445-I449 PolarHBondContact O-N 3.39Å; R445-I484 PolarHBondContact NH1-O 2.98Å; R445-I484 VanDerWaalsContact NH1-O 3.15Å; R445-G486 VanDerWaalsContact NH2-CA 3.31Å; R445-D489 WeakPolarHBondContact CG-OD1 3.45Å; R445-D489 IonicContact CZ-OD1 2.81Å; R445-D489 IonicContact CZ-OD2 3.57Å; R445-D489 VanDerWaalsContact CZ-OD2 3.31Å; R445-D489 IonicContact NE-OD1 3.69Å; R445-D489 PolarHBondContact NE-OD1 2.87Å; R445-D489 IonicContact NE-OD2 3.78Å; R445-D489 PolarHBondContact NE-OD2 3.08Å; R445-D489 VanDerWaalsContact NE-OD2 3.1Å; R445-D489 IonicContact NH2-OD2 3.99Å; R445-D489 PolarHBondContact NH2-OD2 2.75Å
446	A	94.7	Very high	93.7	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-60	-43.8	176.5	0	0	0	0	0	112.1	I416 L417 N420 T442 V443 K448 I449 Q450	I416-A446 HydrophobicContact CG2-CB 3.8Å; L417-A446 HydrophobicContact CD2-CB 4.38Å; N420-A446 HydrophobicContact CB-CB 3.27Å; N420-A446 VanDerWaalsContact CG-CB 3.5Å; T442-A446 VanDerWaalsContact O-CB 3.28Å; T442-A446 WeakPolarHBondContact O-CB 3.39Å; T442-A446 PolarHBondContact O-N 3.04Å; V443-A446 PolarHBondContact O-N 3.41Å; A446-K448 VanDerWaalsContact C-N 3.32Å; A446-K448 PolarHBondContact O-N 3.27Å; A446-I449 PolarHBondContact O-N 2.87Å; A446-Q450 WeakPolarHBondContact O-CB 3.3Å; A446-Q450 WeakPolarHBondContact O-CG 3.08Å; A446-Q450 PolarHBondContact O-N 3.18Å
447	R	93.8	Very high	93.7	Very high	70 Å²	70	41.2 Å²	41.2	26%	0.264	19%	0.191	S	C	.	.	H	α-helix	trans	-63.1	-36.1	175.3	-77.1	178.6	177.1	175.5	3.2	112.9	V443 S444 R445 R451	V443-R447 WeakPolarHBondContact O-CB 3.22Å; V443-R447 WeakPolarHBondContact O-CG 3.48Å; V443-R447 PolarHBondContact O-N 2.99Å; S444-R447 PolarHBondContact O-N 3.28Å; R445-R447 VanDerWaalsContact C-N 3.35Å; R445-R447 PolarHBondContact O-N 3.4Å; R447-R451 WeakPolarHBondContact O-CG 3.45Å; R447-R451 PolarHBondContact O-N 2.94Å; R447-R451 PolarHBondContact O-NH1 3.17Å
448	K	95.1	Very high	93.4	Very high	4 Å²	4	37.7 Å²	37.7	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-67.5	-45.3	173.2	-69.9	173.4	-178.8	-175.8	0	111.4	S444 R445 A446 R451 F452 I483 L488 D489 I491 E493 F496	S444-K448 WeakPolarHBondContact O-CG 3.27Å; S444-K448 PolarHBondContact O-N 2.87Å; R445-K448 WeakPolarHBondContact O-CB 3.12Å; R445-K448 PolarHBondContact O-N 3.5Å; A446-K448 VanDerWaalsContact C-N 3.32Å; A446-K448 PolarHBondContact O-N 3.27Å; K448-R451 PolarHBondContact O-N 2.96Å; K448-F452 VanDerWaalsContact O-CB 3.25Å; K448-F452 WeakPolarHBondContact O-CB 3.09Å; K448-F452 PolarHBondContact O-N 2.8Å; K448-I483 HydrophobicContact CB-CG2 4.5Å; K448-L488 PolarHBondContact NZ-O 2.82Å; K448-D489 VanDerWaalsContact NZ-CA 3.25Å; K448-D489 PolarHBondContact NZ-O 2.78Å; K448-I491 WeakPolarHBondContact CE-O 3.4Å; K448-I491 PolarHBondContact NZ-O 2.96Å; K448-E493 HydrophobicContact CG-CG 4.08Å; K448-F496 HydrophobicContact CB-CD1 4.47Å; K448-F496 HydrophobicContact CB-CD2 4.06Å; K448-F496 HydrophobicContact CB-CE2 4.13Å; K448-F496 HydrophobicContact CB-CG 4.23Å; K448-F496 HydrophobicContact CB-CZ 4.35Å; K448-F496 HydrophobicContact CD-CD2 4.31Å; K448-F496 HydrophobicContact CD-CE2 3.71Å; K448-F496 HydrophobicContact CD-CZ 4.06Å; K448-F496 HydrophobicContact CG-CD2 3.84Å; K448-F496 HydrophobicContact CG-CE2 3.76Å; K448-F496 HydrophobicContact CG-CG 4.49Å; K448-F496 HydrophobicContact CG-CZ 4.34Å
449	I	95.5	Very high	93	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.7	-50.5	175.4	-70.8	172.1	0	0	0	110.6	V413 I416 L417 R445 A446 R451 F452 L453 F480 I483	V413-I449 HydrophobicContact CG1-CG2 3.75Å; I416-I449 HydrophobicContact CB-CD1 4.13Å; I416-I449 HydrophobicContact CD1-CD1 3.99Å; I416-I449 HydrophobicContact CG2-CD1 3.86Å; L417-I449 HydrophobicContact CD1-CG2 4.02Å; L417-I449 HydrophobicContact CD2-CB 4.39Å; L417-I449 HydrophobicContact CD2-CG2 3.91Å; L417-I449 HydrophobicContact CG-CG2 4.09Å; R445-I449 VanDerWaalsContact O-CG1 3.31Å; R445-I449 WeakPolarHBondContact O-CG1 3.36Å; R445-I449 PolarHBondContact O-N 3.39Å; A446-I449 PolarHBondContact O-N 2.87Å; I449-R451 VanDerWaalsContact C-N 3.29Å; I449-R451 PolarHBondContact O-N 3.11Å; I449-F452 CarbonylContact O-C 3.49Å; I449-F452 PolarHBondContact O-N 2.95Å; I449-L453 HydrophobicContact CG2-CD1 4.09Å; I449-L453 HydrophobicContact CG2-CG 4.41Å; I449-L453 WeakPolarHBondContact O-CG 3.48Å; I449-L453 PolarHBondContact O-N 3.17Å; I449-F480 HydrophobicContact CG2-CD1 4.41Å; I449-F480 HydrophobicContact CG2-CE1 4.13Å; I449-I483 HydrophobicContact CD1-CG2 4.28Å; I449-I483 HydrophobicContact CG1-CG2 3.65Å
450	Q	93.9	Very high	92.6	Very high	59 Å²	59	28.4 Å²	28.4	28%	0.276	13%	0.13	S	C	.	.	H	α-helix	trans	-56.2	-43.3	179.4	-76.3	179.6	-22.8	0	0	112.1	I383 L417 A446	I383-Q450 HydrophobicContact CD1-CB 4.09Å; L417-Q450 HydrophobicContact CD2-CG 3.67Å; A446-Q450 WeakPolarHBondContact O-CB 3.3Å; A446-Q450 WeakPolarHBondContact O-CG 3.08Å; A446-Q450 PolarHBondContact O-N 3.18Å
451	R	94.3	Very high	92.1	Very high	77 Å²	77	28.1 Å²	28.1	29%	0.291	13%	0.132	S	C	.	.	H	α-helix	trans	-70	-40.3	174.7	-71.6	-176.9	-179.6	96.6	-10.8	111.8	R447 K448 I449 L453 S454 E493 F496 F497	R447-R451 WeakPolarHBondContact O-CG 3.45Å; R447-R451 PolarHBondContact O-N 2.94Å; R447-R451 PolarHBondContact O-NH1 3.17Å; K448-R451 PolarHBondContact O-N 2.96Å; I449-R451 VanDerWaalsContact C-N 3.29Å; I449-R451 PolarHBondContact O-N 3.11Å; R451-L453 PolarHBondContact O-N 2.92Å; R451-S454 VanDerWaalsContact O-CB 3.28Å; R451-S454 WeakPolarHBondContact O-CB 3.38Å; R451-S454 PolarHBondContact O-N 2.92Å; R451-S454 PolarHBondContact O-OG 2.97Å; R451-E493 VanDerWaalsContact CD-O 3.3Å; R451-E493 WeakPolarHBondContact CD-O 3.3Å; R451-E493 IonicContact CZ-OE2 3.68Å; R451-E493 IonicContact NH1-OE2 3.86Å; R451-E493 PolarHBondContact NH1-OE2 3.09Å; R451-E493 IonicContact NH2-OE2 2.75Å; R451-F496 CarbonylContact C-O 3.54Å; R451-F496 HydrophobicContact CB-CB 3.91Å; R451-F497 HydrophobicContact CB-CB 4.39Å; R451-F497 HydrophobicContact CG-CD2 4.47Å
452	F	95.7	Very high	91.3	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-67.5	-23.7	179.2	-168.3	-122.3	0	0	0	113.2	K177 K448 I449 S454 F480 I483 F496 V499 I502 V505	K177-F452 HydrophobicContact CD-CE1 4.36Å; K177-F452 HydrophobicContact CD-CZ 4.22Å; K177-F452 WeakPolarHBondContact CE-O 3.18Å; K177-F452 PolarHBondContact NZ-O 2.85Å; K448-F452 VanDerWaalsContact O-CB 3.25Å; K448-F452 WeakPolarHBondContact O-CB 3.09Å; K448-F452 PolarHBondContact O-N 2.8Å; I449-F452 CarbonylContact O-C 3.49Å; I449-F452 PolarHBondContact O-N 2.95Å; F452-S454 PolarHBondContact O-N 3.15Å; F452-F480 HydrophobicContact CB-CE1 4.46Å; F452-F480 AromaticContact CD1-CD1 3.95Å; F452-F480 HydrophobicContact CD1-CD1 3.95Å; F452-F480 HydrophobicContact CD1-CD2 4.35Å; F452-F480 AromaticContact CD1-CE1 3.5Å; F452-F480 HydrophobicContact CD1-CE1 3.5Å; F452-F480 AromaticContact CD1-CE2 3.92Å; F452-F480 HydrophobicContact CD1-CE2 3.92Å; F452-F480 HydrophobicContact CD1-CG 4.35Å; F452-F480 AromaticContact CD1-CZ 3.45Å; F452-F480 HydrophobicContact CD1-CZ 3.45Å; F452-F480 VanDerWaalsContact CD1-CZ 3.45Å; F452-F480 HydrophobicContact CE1-CD1 4.45Å; F452-F480 HydrophobicContact CE1-CD2 4.14Å; F452-F480 HydrophobicContact CE1-CE1 4.23Å; F452-F480 AromaticContact CE1-CE2 3.87Å; F452-F480 HydrophobicContact CE1-CE2 3.87Å; F452-F480 HydrophobicContact CE1-CG 4.41Å; F452-F480 AromaticContact CE1-CZ 3.9Å; F452-F480 HydrophobicContact CE1-CZ 3.9Å; F452-F480 HydrophobicContact CG-CE1 4.44Å; F452-F480 HydrophobicContact CG-CZ 4.42Å; F452-I483 HydrophobicContact CB-CD1 3.98Å; F452-I483 HydrophobicContact CD1-CD1 3.44Å; F452-I483 VanDerWaalsContact CD1-CD1 3.44Å; F452-I483 HydrophobicContact CE1-CD1 4.08Å; F452-I483 HydrophobicContact CG-CD1 3.76Å; F452-F496 WeakPolarHBondContact CA-O 3.37Å; F452-F496 HydrophobicContact CB-CB 4.19Å; F452-F496 HydrophobicContact CB-CD1 3.89Å; F452-F496 HydrophobicContact CB-CG 4.5Å; F452-F496 AromaticContact CD2-CD1 3.96Å; F452-F496 HydrophobicContact CD2-CD1 3.96Å; F452-F496 HydrophobicContact CG-CD1 4.08Å; F452-F496 PolarHBondContact N-O 2.86Å; F452-V499 HydrophobicContact CD2-CG2 4.03Å; F452-V499 HydrophobicContact CE2-CG2 4.23Å; F452-I502 HydrophobicContact CZ-CG1 4.47Å; F452-V505 HydrophobicContact CD2-CG2 3.88Å; F452-V505 HydrophobicContact CE2-CG2 3.74Å
453	L	94.7	Very high	90.6	Very high	10 Å²	10	34.7 Å²	34.7	5%	0.052	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-19.8	170.2	-71.1	167	0	0	0	112.5	V178 L182 P389 L417 I449 R451 F480	V178-L453 HydrophobicContact CB-CD2 3.87Å; V178-L453 HydrophobicContact CG2-CD2 4Å; L182-L453 HydrophobicContact CD1-CD2 4.38Å; P389-L453 HydrophobicContact CB-CD1 4.06Å; P389-L453 HydrophobicContact CG-CD1 4.17Å; L417-L453 HydrophobicContact CD1-CD1 4.39Å; I449-L453 HydrophobicContact CG2-CD1 4.09Å; I449-L453 HydrophobicContact CG2-CG 4.41Å; I449-L453 WeakPolarHBondContact O-CG 3.48Å; I449-L453 PolarHBondContact O-N 3.17Å; R451-L453 PolarHBondContact O-N 2.92Å; L453-F480 HydrophobicContact CD2-CE1 3.77Å; L453-F480 HydrophobicContact CD2-CE2 4.32Å; L453-F480 HydrophobicContact CD2-CZ 3.4Å; L453-F480 HydrophobicContact CG-CE1 3.99Å; L453-F480 HydrophobicContact CG-CZ 3.96Å
454	S	94	Very high	89.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.18	C	C	.	.			trans	-69.5	146.8	170.6	71.1	0	0	0	0	111.5	K177 Y384 R451 F452 M498	K177-S454 WeakPolarHBondContact CE-O 3.33Å; K177-S454 PolarHBondContact NZ-O 3.43Å; K177-S454 VanDerWaalsContact NZ-O 3.13Å; Y384-S454 CarbonylContact O-C 3.59Å; Y384-S454 WeakPolarHBondContact O-CA 3.5Å; Y384-S454 VanDerWaalsContact O-CB 3.26Å; Y384-S454 WeakPolarHBondContact O-CB 3.44Å; R451-S454 VanDerWaalsContact O-CB 3.28Å; R451-S454 WeakPolarHBondContact O-CB 3.38Å; R451-S454 PolarHBondContact O-N 2.92Å; R451-S454 PolarHBondContact O-OG 2.97Å; F452-S454 PolarHBondContact O-N 3.15Å; S454-M498 WeakPolarHBondContact OG-CA 3.42Å; S454-M498 PolarHBondContact OG-N 3.17Å
455	Q	93.9	Very high	89.3	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.009	20%	0.203	C	C	.	.			trans	-146.9	131.9	-175.6	-175.5	173.9	-30.3	0	0	109.9	G175 Y384 F457 K469	G175-Q455 PolarHBondContact O-NE2 3.17Å; Y384-Q455 PolarHBondContact O-N 2.72Å; Q455-F457 HydrophobicContact CB-CE1 4.31Å; Q455-F457 HydrophobicContact CG-CD1 4.46Å; Q455-F457 HydrophobicContact CG-CE1 4.48Å; Q455-F457 PolarHBondContact O-N 3.1Å; Q455-K469 PolarHBondContact NE2-O 2.97Å
456	P	92	Very high	88.7	Confident	5 Å²	5	41.5 Å²	41.5	3%	0.032	21%	0.211	C	C	.	.			trans	-70.6	116.6	172.4	29.7	-32.2	0	0	0	109.7	R466 G468 K469 M498	P456-R466 HydrophobicContact CB-CB 4.46Å; P456-G468 WeakPolarHBondContact O-CA 3.26Å; P456-K469 HydrophobicContact CG-CB 4.09Å; P456-K469 HydrophobicContact CG-CG 3.92Å; P456-K469 PolarHBondContact O-N 3.24Å; P456-M498 HydrophobicContact CB-CE 4.05Å
457	F	91.5	Very high	88.3	Confident	9 Å²	9	47.1 Å²	47.1	4%	0.039	24%	0.237	C	C	.	.			trans	-83.3	142.7	175.4	-70	-14.6	0	0	0	111.4	I176 V203 L204 E207 P385 Q455 V459 A460 E461	I176-F457 HydrophobicContact CD1-CE1 4.13Å; I176-F457 HydrophobicContact CD1-CZ 4.04Å; I176-F457 HydrophobicContact CG1-CE1 4.16Å; I176-F457 HydrophobicContact CG2-CE1 4.23Å; I176-F457 HydrophobicContact CG2-CZ 4.34Å; V203-F457 HydrophobicContact CG1-CD2 3.91Å; L204-F457 HydrophobicContact CD1-CE2 4.22Å; L204-F457 HydrophobicContact CD1-CZ 3.98Å; E207-F457 HydrophobicContact CB-CB 4.45Å; E207-F457 HydrophobicContact CB-CD1 4.46Å; E207-F457 HydrophobicContact CB-CD2 4.01Å; E207-F457 HydrophobicContact CB-CE2 4.26Å; E207-F457 HydrophobicContact CB-CG 4.09Å; E207-F457 HydrophobicContact CG-CB 4.07Å; E207-F457 HydrophobicContact CG-CD1 3.65Å; E207-F457 HydrophobicContact CG-CD2 4.09Å; E207-F457 HydrophobicContact CG-CE1 3.98Å; E207-F457 HydrophobicContact CG-CE2 4.38Å; E207-F457 HydrophobicContact CG-CG 3.69Å; E207-F457 HydrophobicContact CG-CZ 4.3Å; P385-F457 HydrophobicContact CB-CE2 3.94Å; P385-F457 HydrophobicContact CB-CZ 3.58Å; P385-F457 HydrophobicContact CG-CE1 4.22Å; P385-F457 HydrophobicContact CG-CE2 4.44Å; P385-F457 HydrophobicContact CG-CZ 3.63Å; Q455-F457 HydrophobicContact CB-CE1 4.31Å; Q455-F457 HydrophobicContact CG-CD1 4.46Å; Q455-F457 HydrophobicContact CG-CE1 4.48Å; Q455-F457 PolarHBondContact O-N 3.1Å; F457-V459 HydrophobicContact CB-CG2 4.27Å; F457-A460 HydrophobicContact CB-CB 3.87Å; F457-A460 CarbonylContact O-C 3.55Å; F457-A460 PolarHBondContact O-N 2.7Å; F457-E461 PolarHBondContact O-N 3.2Å
458	Q	87.1	Confident	88	Confident	53 Å²	53	44.3 Å²	44.3	25%	0.248	23%	0.23	C	C	.	.	S	Bend	trans	-69.3	-40.1	179	-176.6	160	45.7	0	0	111.6	E207 N210 R214 A460 E461	E207-Q458 PolarHBondContact OE1-N 3Å; E207-Q458 PolarHBondContact OE2-N 2.97Å; N210-Q458 PolarHBondContact ND2-OE1 2.98Å; R214-Q458 VanDerWaalsContact CZ-CD 3.49Å; R214-Q458 VanDerWaalsContact NH1-OE1 3.13Å; Q458-A460 PolarHBondContact O-N 3.42Å; Q458-E461 VanDerWaalsContact O-CB 3.24Å; Q458-E461 WeakPolarHBondContact O-CB 3.38Å; Q458-E461 PolarHBondContact O-N 2.85Å; Q458-E461 VanDerWaalsContact O-N 3.13Å
459	V	83.5	Confident	87.7	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.024	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-23.2	174.9	-58.4	0	0	0	0	112.1	V203 M206 E207 N210 T242 F457	V203-V459 HydrophobicContact CG1-CG2 3.87Å; M206-V459 HydrophobicContact CB-CB 4.26Å; M206-V459 HydrophobicContact CB-CG1 4.07Å; M206-V459 HydrophobicContact CB-CG2 4.12Å; E207-V459 HydrophobicContact CB-CG2 3.92Å; E207-V459 WeakPolarHBondContact OE2-CG2 3.19Å; E207-V459 PolarHBondContact OE2-N 2.73Å; E207-V459 VanDerWaalsContact OE2-N 3.15Å; N210-V459 HydrophobicContact CB-CG1 4.03Å; T242-V459 HydrophobicContact CG2-CB 4.02Å; T242-V459 HydrophobicContact CG2-CG1 4.29Å; F457-V459 HydrophobicContact CB-CG2 4.27Å
460	A	83.6	Confident	87.4	Confident	6 Å²	6	51.9 Å²	51.9	5%	0.05	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-1.4	179.4	0	0	0	0	0	114	V203 F457 Q458 V462 F463 I464	V203-A460 HydrophobicContact CG1-CB 4.1Å; F457-A460 HydrophobicContact CB-CB 3.87Å; F457-A460 CarbonylContact O-C 3.55Å; F457-A460 PolarHBondContact O-N 2.7Å; Q458-A460 PolarHBondContact O-N 3.42Å; A460-V462 PolarHBondContact O-N 2.7Å; A460-F463 PolarHBondContact O-N 3.46Å; A460-I464 HydrophobicContact CB-CD1 3.56Å; A460-I464 HydrophobicContact CB-CG1 4.05Å; A460-I464 WeakPolarHBondContact O-CG1 3.39Å; A460-I464 PolarHBondContact O-N 3.35Å
461	E	82.8	Confident	87.2	Confident	80 Å²	80	49.4 Å²	49.4	37%	0.374	26%	0.256	S	S	.	.	H	α-helix	trans	-55.1	-38.4	-178.6	178.6	169.1	179.9	0	0	111.9	F457 Q458 F463 G465 R466	F457-E461 PolarHBondContact O-N 3.2Å; Q458-E461 VanDerWaalsContact O-CB 3.24Å; Q458-E461 WeakPolarHBondContact O-CB 3.38Å; Q458-E461 PolarHBondContact O-N 2.85Å; Q458-E461 VanDerWaalsContact O-N 3.13Å; E461-F463 PolarHBondContact O-N 3.44Å; E461-G465 WeakPolarHBondContact O-CA 3.48Å; E461-G465 PolarHBondContact O-N 3.05Å; E461-R466 WeakPolarHBondContact CG-O 3.33Å
462	V	75.8	Confident	87.2	Confident	107 Å²	107	47.3 Å²	47.3	65%	0.648	25%	0.253	S	S	*	.	H	α-helix	trans	-62.1	-31.8	176.9	-174.7	0	0	0	0	112.4	A460	A460-V462 PolarHBondContact O-N 2.7Å
463	F	78	Confident	87	Confident	140 Å²	140	48.6 Å²	48.6	61%	0.614	26%	0.26	S	S	*	.	H	α-helix	trans	-94.1	-34.6	-177.4	-55.5	-72.3	0	0	0	112.8	A460 E461	A460-F463 PolarHBondContact O-N 3.46Å; E461-F463 PolarHBondContact O-N 3.44Å
464	I	79.6	Confident	87	Confident	70 Å²	70	56.1 Å²	56.1	36%	0.359	29%	0.292	S	S	.	.	H	α-helix	trans	-94.3	-24.6	-172.5	-58.6	179	0	0	0	111.4	A460 R466 M498	A460-I464 HydrophobicContact CB-CD1 3.56Å; A460-I464 HydrophobicContact CB-CG1 4.05Å; A460-I464 WeakPolarHBondContact O-CG1 3.39Å; A460-I464 PolarHBondContact O-N 3.35Å; I464-R466 HydrophobicContact CG2-CB 4.01Å; I464-R466 HydrophobicContact CG2-CG 4.02Å; I464-R466 PolarHBondContact O-N 3.1Å; I464-M498 HydrophobicContact CD1-CE 3.55Å; I464-M498 HydrophobicContact CG2-CE 3.86Å
465	G	80.3	Confident	87	Confident	71 Å²	71	59.2 Å²	59.2	73%	0.732	31%	0.308	S	S	*	.			trans	68.3	20.9	-175.1	0	0	0	0	0	113.5	E461	E461-G465 WeakPolarHBondContact O-CA 3.48Å; E461-G465 PolarHBondContact O-N 3.05Å
466	R	83	Confident	86.9	Confident	103 Å²	103	59.1 Å²	59.1	39%	0.389	31%	0.308	S	S	.	.	S	Bend	trans	-122.9	138.8	175.6	-66.5	-174.2	-176.2	-171.6	6.9	109.5	P456 E461 I464 G468 F497 M498	P456-R466 HydrophobicContact CB-CB 4.46Å; E461-R466 WeakPolarHBondContact CG-O 3.33Å; I464-R466 HydrophobicContact CG2-CB 4.01Å; I464-R466 HydrophobicContact CG2-CG 4.02Å; I464-R466 PolarHBondContact O-N 3.1Å; R466-G468 PolarHBondContact O-N 3.39Å; R466-F497 PolarHBondContact NH1-O 3.28Å; R466-M498 PolarHBondContact NH1-O 2.72Å
467	E	86.2	Confident	87.1	Confident	118 Å²	118	59.7 Å²	59.7	55%	0.551	31%	0.311	S	S	*	.			trans	-59.7	131.2	176.7	-168.5	-171.2	-159.3	0	0	110.4	K469	E467-K469 IonicContact OE2-NZ 2.87Å; E467-K469 PolarHBondContact OE2-NZ 3.4Å
468	G	86.9	Confident	87.3	Confident	12 Å²	12	63.7 Å²	63.7	12%	0.124	33%	0.328	C	S	.	.			trans	-64.6	140.6	175.3	0	0	0	0	0	112.3	P456 R466	P456-G468 WeakPolarHBondContact O-CA 3.26Å; R466-G468 PolarHBondContact O-N 3.39Å
469	K	88.7	Confident	87.5	Confident	72 Å²	72	61.2 Å²	61.2	31%	0.313	32%	0.316	S	S	.	.			trans	-120.9	127.6	177.7	-62.3	-61	-170.4	-167.2	0	110.2	Q455 P456 E467	Q455-K469 PolarHBondContact NE2-O 2.97Å; P456-K469 HydrophobicContact CG-CB 4.09Å; P456-K469 HydrophobicContact CG-CG 3.92Å; P456-K469 PolarHBondContact O-N 3.24Å; E467-K469 IonicContact OE2-NZ 2.87Å; E467-K469 PolarHBondContact OE2-NZ 3.4Å
470	L	89.2	Confident	88.1	Confident	91 Å²	91	61 Å²	61	48%	0.476	32%	0.315	S	S	.	.			trans	-92.4	120.4	167.2	-172.8	155.3	0	0	0	107.6	N211	N211-L470 HydrophobicContact CB-CD1 4.33Å
471	V	91.5	Very high	88.7	Confident	7 Å²	7	64.6 Å²	64.6	4%	0.042	33%	0.33	C	S	.	.			trans	-108.1	128.2	-177.3	-173.3	0	0	0	0	108.7	G175 K177 D475 S476	G175-V471 CarbonylContact C-O 3.57Å; G175-V471 WeakPolarHBondContact CA-O 3.08Å; G175-V471 PolarHBondContact O-N 3.36Å; K177-V471 HydrophobicContact CD-CB 4.44Å; K177-V471 HydrophobicContact CD-CG1 4.21Å; K177-V471 HydrophobicContact CD-CG2 4.23Å; K177-V471 HydrophobicContact CG-CB 3.93Å; K177-V471 HydrophobicContact CG-CG1 3.94Å; K177-V471 HydrophobicContact CG-CG2 4.12Å; V471-D475 HydrophobicContact CG1-CB 4.11Å; V471-S476 WeakPolarHBondContact CG1-OG 3.38Å
472	S	93	Very high	89.2	Confident	32 Å²	32	62.6 Å²	62.6	22%	0.224	32%	0.321	C	S	.	.			trans	-68.8	154.6	177.2	77.8	0	0	0	0	111.6	E173 K474 D475 S476	E173-S472 WeakPolarHBondContact OE1-CA 3.49Å; S472-K474 PolarHBondContact O-N 3.07Å; S472-D475 PolarHBondContact O-N 3.32Å; S472-D475 WeakPolarHBondContact OG-CB 3.12Å; S472-D475 PolarHBondContact OG-N 2.89Å; S472-D475 VanDerWaalsContact OG-N 3.12Å; S472-D475 PolarHBondContact OG-OD2 3.49Å; S472-S476 WeakPolarHBondContact O-CB 3.47Å; S472-S476 PolarHBondContact O-N 2.73Å; S472-S476 PolarHBondContact O-OG 3.33Å
473	L	92.4	Very high	90	Very high	29 Å²	29	57.6 Å²	57.6	15%	0.152	29%	0.29	C	S	.	.	H	α-helix	trans	-57.1	-40.5	174.4	173.1	60.6	0	0	0	110.9	I171 E173 D180 D475 S476 I477	I171-L473 HydrophobicContact CD1-CD2 4.41Å; E173-L473 HydrophobicContact CG-CB 4.4Å; E173-L473 PolarHBondContact OE1-N 3.04Å; D180-L473 HydrophobicContact CB-CD1 3.99Å; L473-D475 PolarHBondContact O-N 2.82Å; L473-S476 WeakPolarHBondContact O-CB 3.33Å; L473-S476 PolarHBondContact O-N 3.1Å; L473-I477 HydrophobicContact CD1-CD1 3.83Å; L473-I477 HydrophobicContact CD1-CG1 4.03Å; L473-I477 HydrophobicContact CG-CD1 3.87Å; L473-I477 HydrophobicContact CG-CG1 4.47Å; L473-I477 VanDerWaalsContact O-CG1 3.31Å; L473-I477 WeakPolarHBondContact O-CG1 3.35Å; L473-I477 PolarHBondContact O-N 2.83Å
474	K	93.8	Very high	90.8	Very high	167 Å²	167	52.6 Å²	52.6	73%	0.726	27%	0.27	S	S	*	.	H	α-helix	trans	-62.6	-44.7	179.4	-173.4	-178.9	179.7	-177.7	0	112.1	S472 S476 I477 K478	S472-K474 PolarHBondContact O-N 3.07Å; K474-S476 VanDerWaalsContact C-N 3.32Å; K474-I477 PolarHBondContact O-N 3.41Å; K474-K478 WeakPolarHBondContact O-CB 3.38Å; K474-K478 PolarHBondContact O-N 2.81Å
475	D	93.6	Very high	91.4	Very high	65 Å²	65	53.6 Å²	53.6	35%	0.348	28%	0.276	S	S	.	.	H	α-helix	trans	-69.7	-34.7	178.6	-61.2	-36.5	0	0	0	111.1	V471 S472 L473 G479	V471-D475 HydrophobicContact CG1-CB 4.11Å; S472-D475 PolarHBondContact O-N 3.32Å; S472-D475 WeakPolarHBondContact OG-CB 3.12Å; S472-D475 PolarHBondContact OG-N 2.89Å; S472-D475 VanDerWaalsContact OG-N 3.12Å; S472-D475 PolarHBondContact OG-OD2 3.49Å; L473-D475 PolarHBondContact O-N 2.82Å; D475-G479 PolarHBondContact O-N 2.93Å
476	S	93.5	Very high	91.8	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.1	-53	172.8	-56.5	0	0	0	0	111	V471 S472 L473 K474 K478 G479 F480	V471-S476 WeakPolarHBondContact CG1-OG 3.38Å; S472-S476 WeakPolarHBondContact O-CB 3.47Å; S472-S476 PolarHBondContact O-N 2.73Å; S472-S476 PolarHBondContact O-OG 3.33Å; L473-S476 WeakPolarHBondContact O-CB 3.33Å; L473-S476 PolarHBondContact O-N 3.1Å; K474-S476 VanDerWaalsContact C-N 3.32Å; S476-K478 PolarHBondContact O-N 2.84Å; S476-G479 WeakPolarHBondContact O-CA 3.37Å; S476-G479 PolarHBondContact O-N 3.21Å; S476-G479 VanDerWaalsContact O-N 3.1Å; S476-F480 WeakPolarHBondContact O-CD2 3.3Å; S476-F480 PolarHBondContact O-N 3.43Å
477	I	95.3	Very high	92.2	Very high	18 Å²	18	50.8 Å²	50.8	9%	0.092	25%	0.253	C	S	.	.	H	α-helix	trans	-59	-48.7	179.4	-68.6	167.4	0	0	0	110.9	L181 E405 H406 V409 L473 K474 G479 F480 K481	L181-I477 HydrophobicContact CD1-CG1 4.12Å; E405-I477 HydrophobicContact CG-CG2 3.84Å; H406-I477 HydrophobicContact CB-CD1 3.71Å; H406-I477 HydrophobicContact CB-CG1 4.45Å; V409-I477 HydrophobicContact CB-CG2 4.46Å; V409-I477 HydrophobicContact CG2-CG2 4.09Å; L473-I477 HydrophobicContact CD1-CD1 3.83Å; L473-I477 HydrophobicContact CD1-CG1 4.03Å; L473-I477 HydrophobicContact CG-CD1 3.87Å; L473-I477 HydrophobicContact CG-CG1 4.47Å; L473-I477 VanDerWaalsContact O-CG1 3.31Å; L473-I477 WeakPolarHBondContact O-CG1 3.35Å; L473-I477 PolarHBondContact O-N 2.83Å; K474-I477 PolarHBondContact O-N 3.41Å; I477-G479 PolarHBondContact O-N 3.07Å; I477-F480 PolarHBondContact O-N 3.38Å; I477-K481 VanDerWaalsContact O-CB 3.24Å; I477-K481 WeakPolarHBondContact O-CB 3.36Å; I477-K481 PolarHBondContact O-N 3.47Å
478	K	94.7	Very high	92.5	Very high	93 Å²	93	45.5 Å²	45.5	40%	0.404	23%	0.228	S	C	.	.	H	α-helix	trans	-55.3	-44.4	175.4	-177.3	-167.9	169.3	-160.6	0	110.7	K474 S476 K481 M482 I502 E503	K474-K478 WeakPolarHBondContact O-CB 3.38Å; K474-K478 PolarHBondContact O-N 2.81Å; S476-K478 PolarHBondContact O-N 2.84Å; K478-K481 PolarHBondContact O-N 3.43Å; K478-M482 HydrophobicContact CG-SD 4.41Å; K478-M482 WeakPolarHBondContact O-CG 3.49Å; K478-M482 PolarHBondContact O-N 3.34Å; K478-M482 VanDerWaalsContact O-N 3.07Å; K478-I502 HydrophobicContact CB-CD1 4.4Å; K478-I502 HydrophobicContact CD-CD1 4.22Å; K478-I502 HydrophobicContact CG-CD1 3.89Å; K478-E503 IonicContact NZ-OE1 2.74Å; K478-E503 PolarHBondContact NZ-OE1 2.77Å
479	G	93	Very high	92.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-46.8	-66.1	172.4	0	0	0	0	0	114.1	D475 S476 I477 K481 M482 I483 I502	D475-G479 PolarHBondContact O-N 2.93Å; S476-G479 WeakPolarHBondContact O-CA 3.37Å; S476-G479 PolarHBondContact O-N 3.21Å; S476-G479 VanDerWaalsContact O-N 3.1Å; I477-G479 PolarHBondContact O-N 3.07Å; G479-K481 VanDerWaalsContact C-N 3.3Å; G479-K481 PolarHBondContact O-N 2.95Å; G479-M482 PolarHBondContact O-N 3.24Å; G479-I483 WeakPolarHBondContact O-CG1 3.4Å; G479-I483 PolarHBondContact O-N 3.5Å; G479-I502 VanDerWaalsContact N-CD1 3.33Å
480	F	95.3	Very high	92.7	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-67.4	-33.1	-176	-70.8	-76	0	0	0	112.2	K177 L181 V409 V413 I449 F452 L453 S476 I477 M482 I483 I484	K177-F480 HydrophobicContact CB-CE2 4.32Å; L181-F480 HydrophobicContact CD1-CD2 4.36Å; L181-F480 HydrophobicContact CD2-CB 4.16Å; L181-F480 HydrophobicContact CD2-CD1 4.16Å; L181-F480 HydrophobicContact CD2-CD2 3.36Å; L181-F480 HydrophobicContact CD2-CE1 4.46Å; L181-F480 HydrophobicContact CD2-CE2 3.75Å; L181-F480 HydrophobicContact CD2-CG 3.62Å; L181-F480 HydrophobicContact CD2-CZ 4.29Å; L181-F480 HydrophobicContact CG-CD2 4.34Å; V409-F480 HydrophobicContact CG1-CB 3.47Å; V409-F480 VanDerWaalsContact CG1-CB 3.47Å; V413-F480 HydrophobicContact CG2-CB 3.78Å; V413-F480 HydrophobicContact CG2-CD1 3.64Å; V413-F480 HydrophobicContact CG2-CG 3.9Å; I449-F480 HydrophobicContact CG2-CD1 4.41Å; I449-F480 HydrophobicContact CG2-CE1 4.13Å; F452-F480 HydrophobicContact CB-CE1 4.46Å; F452-F480 AromaticContact CD1-CD1 3.95Å; F452-F480 HydrophobicContact CD1-CD1 3.95Å; F452-F480 HydrophobicContact CD1-CD2 4.35Å; F452-F480 AromaticContact CD1-CE1 3.5Å; F452-F480 HydrophobicContact CD1-CE1 3.5Å; F452-F480 AromaticContact CD1-CE2 3.92Å; F452-F480 HydrophobicContact CD1-CE2 3.92Å; F452-F480 HydrophobicContact CD1-CG 4.35Å; F452-F480 AromaticContact CD1-CZ 3.45Å; F452-F480 HydrophobicContact CD1-CZ 3.45Å; F452-F480 VanDerWaalsContact CD1-CZ 3.45Å; F452-F480 HydrophobicContact CE1-CD1 4.45Å; F452-F480 HydrophobicContact CE1-CD2 4.14Å; F452-F480 HydrophobicContact CE1-CE1 4.23Å; F452-F480 AromaticContact CE1-CE2 3.87Å; F452-F480 HydrophobicContact CE1-CE2 3.87Å; F452-F480 HydrophobicContact CE1-CG 4.41Å; F452-F480 AromaticContact CE1-CZ 3.9Å; F452-F480 HydrophobicContact CE1-CZ 3.9Å; F452-F480 HydrophobicContact CG-CE1 4.44Å; F452-F480 HydrophobicContact CG-CZ 4.42Å; L453-F480 HydrophobicContact CD2-CE1 3.77Å; L453-F480 HydrophobicContact CD2-CE2 4.32Å; L453-F480 HydrophobicContact CD2-CZ 3.4Å; L453-F480 HydrophobicContact CG-CE1 3.99Å; L453-F480 HydrophobicContact CG-CZ 3.96Å; S476-F480 WeakPolarHBondContact O-CD2 3.3Å; S476-F480 PolarHBondContact O-N 3.43Å; I477-F480 PolarHBondContact O-N 3.38Å; F480-M482 PolarHBondContact O-N 3.34Å; F480-I483 PolarHBondContact O-N 3.44Å; F480-I484 WeakPolarHBondContact O-CB 3.46Å; F480-I484 WeakPolarHBondContact O-CD1 3.43Å; F480-I484 WeakPolarHBondContact O-CG1 3.4Å; F480-I484 PolarHBondContact O-N 3.14Å
481	K	95.3	Very high	92.8	Very high	81 Å²	81	47 Å²	47	35%	0.352	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-47	175.5	-168.6	177.6	-171.6	177.6	0	112.2	E405 V409 I477 K478 G479 I483 I484 N485	E405-K481 IonicContact OE1-NZ 2.72Å; E405-K481 PolarHBondContact OE1-NZ 3.37Å; V409-K481 HydrophobicContact CG2-CB 3.84Å; V409-K481 HydrophobicContact CG2-CD 4.41Å; V409-K481 HydrophobicContact CG2-CG 4.11Å; I477-K481 VanDerWaalsContact O-CB 3.24Å; I477-K481 WeakPolarHBondContact O-CB 3.36Å; I477-K481 PolarHBondContact O-N 3.47Å; K478-K481 PolarHBondContact O-N 3.43Å; G479-K481 VanDerWaalsContact C-N 3.3Å; G479-K481 PolarHBondContact O-N 2.95Å; K481-I483 VanDerWaalsContact C-N 3.31Å; K481-I483 PolarHBondContact O-N 3.13Å; K481-I484 PolarHBondContact O-N 3.29Å; K481-N485 WeakPolarHBondContact O-CB 3.35Å; K481-N485 PolarHBondContact O-N 2.93Å; K481-N485 PolarHBondContact O-ND2 3Å
482	M	94.2	Very high	92.8	Very high	38 Å²	38	49.7 Å²	49.7	19%	0.187	25%	0.25	C	C	.	.	H	α-helix	trans	-63.7	-36.3	178	-70.8	-179	70.6	0	0	112.3	K478 G479 F480 G486 E487 L488 I502	K478-M482 HydrophobicContact CG-SD 4.41Å; K478-M482 WeakPolarHBondContact O-CG 3.49Å; K478-M482 PolarHBondContact O-N 3.34Å; K478-M482 VanDerWaalsContact O-N 3.07Å; G479-M482 PolarHBondContact O-N 3.24Å; F480-M482 PolarHBondContact O-N 3.34Å; M482-G486 PolarHBondContact O-N 3.26Å; M482-E487 HydrophobicContact CB-CB 4.38Å; M482-E487 HydrophobicContact CE-CB 4.46Å; M482-E487 PolarHBondContact O-N 3.47Å; M482-L488 HydrophobicContact CB-CD1 4Å; M482-L488 HydrophobicContact CB-CG 4.21Å; M482-L488 HydrophobicContact CE-CD2 4.07Å; M482-I502 HydrophobicContact CB-CD1 4.45Å; M482-I502 HydrophobicContact CG-CD1 4.19Å; M482-I502 HydrophobicContact SD-CD1 3.33Å; M482-I502 WeakPolarHBondContact SD-CD1 3.11Å; M482-I502 HydrophobicContact SD-CG1 4.47Å; M482-I502 HydrophobicContact SD-CG2 4.3Å
483	I	93.3	Very high	92.7	Very high	2 Å²	2	50.4 Å²	50.4	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-68.4	-45.9	176.4	-60.1	169.1	0	0	0	110.9	K448 I449 F452 G479 F480 K481 N485 G486 L488 F496	K448-I483 HydrophobicContact CB-CG2 4.5Å; I449-I483 HydrophobicContact CD1-CG2 4.28Å; I449-I483 HydrophobicContact CG1-CG2 3.65Å; F452-I483 HydrophobicContact CB-CD1 3.98Å; F452-I483 HydrophobicContact CD1-CD1 3.44Å; F452-I483 VanDerWaalsContact CD1-CD1 3.44Å; F452-I483 HydrophobicContact CE1-CD1 4.08Å; F452-I483 HydrophobicContact CG-CD1 3.76Å; G479-I483 WeakPolarHBondContact O-CG1 3.4Å; G479-I483 PolarHBondContact O-N 3.5Å; F480-I483 PolarHBondContact O-N 3.44Å; K481-I483 VanDerWaalsContact C-N 3.31Å; K481-I483 PolarHBondContact O-N 3.13Å; I483-N485 VanDerWaalsContact C-N 3.32Å; I483-N485 PolarHBondContact O-N 2.82Å; I483-G486 PolarHBondContact O-N 3.33Å; I483-G486 VanDerWaalsContact O-N 3.16Å; I483-L488 HydrophobicContact CG1-CD1 3.85Å; I483-F496 HydrophobicContact CD1-CD1 4.05Å; I483-F496 HydrophobicContact CD1-CE1 3.72Å; I483-F496 HydrophobicContact CG1-CE1 3.9Å
484	I	93.1	Very high	92.6	Very high	35 Å²	35	51.6 Å²	51.6	18%	0.179	26%	0.264	C	S	.	.	H	α-helix	trans	-62.7	-40.6	179.4	-68	161.5	0	0	0	111	V409 V413 I416 R445 F480 K481 G486	V409-I484 HydrophobicContact CG1-CD1 4.04Å; V409-I484 WeakPolarHBondContact O-CD1 3.48Å; V413-I484 HydrophobicContact CG2-CD1 3.8Å; V413-I484 HydrophobicContact CG2-CG1 4.42Å; I416-I484 HydrophobicContact CD1-CB 4.39Å; I416-I484 HydrophobicContact CD1-CG1 3.96Å; I416-I484 HydrophobicContact CD1-CG2 4.3Å; R445-I484 PolarHBondContact NH1-O 2.98Å; R445-I484 VanDerWaalsContact NH1-O 3.15Å; F480-I484 WeakPolarHBondContact O-CB 3.46Å; F480-I484 WeakPolarHBondContact O-CD1 3.43Å; F480-I484 WeakPolarHBondContact O-CG1 3.4Å; F480-I484 PolarHBondContact O-N 3.14Å; K481-I484 PolarHBondContact O-N 3.29Å; I484-G486 PolarHBondContact O-N 3.12Å
485	N	93	Very high	92.5	Very high	92 Å²	92	43.7 Å²	43.7	49%	0.492	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.4	178.8	-69.9	-11.9	0	0	0	113.7	K481 I483 E487	K481-N485 WeakPolarHBondContact O-CB 3.35Å; K481-N485 PolarHBondContact O-N 2.93Å; K481-N485 PolarHBondContact O-ND2 3Å; I483-N485 VanDerWaalsContact C-N 3.32Å; I483-N485 PolarHBondContact O-N 2.82Å; N485-E487 VanDerWaalsContact C-N 3.34Å; N485-E487 HydrophobicContact CB-CG 4.07Å; N485-E487 PolarHBondContact ND2-OE1 2.83Å; N485-E487 VanDerWaalsContact ND2-OE1 3.14Å
486	G	90	Very high	92.5	Very high	17 Å²	17	40.6 Å²	40.6	18%	0.175	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	8.9	-178.8	0	0	0	0	0	115.1	R445 M482 I483 I484 L488 D489	R445-G486 VanDerWaalsContact NH2-CA 3.31Å; M482-G486 PolarHBondContact O-N 3.26Å; I483-G486 PolarHBondContact O-N 3.33Å; I483-G486 VanDerWaalsContact O-N 3.16Å; I484-G486 PolarHBondContact O-N 3.12Å; G486-L488 PolarHBondContact O-N 2.98Å; G486-D489 WeakPolarHBondContact CA-OD2 3.5Å; G486-D489 WeakPolarHBondContact O-CB 3.33Å; G486-D489 PolarHBondContact O-N 3.49Å
487	E	91.3	Very high	92.5	Very high	98 Å²	98	43.7 Å²	43.7	46%	0.458	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-26.8	-178.8	-63.6	173.7	-132.6	0	0	111.7	M482 N485 H490	M482-E487 HydrophobicContact CB-CB 4.38Å; M482-E487 HydrophobicContact CE-CB 4.46Å; M482-E487 PolarHBondContact O-N 3.47Å; N485-E487 VanDerWaalsContact C-N 3.34Å; N485-E487 HydrophobicContact CB-CG 4.07Å; N485-E487 PolarHBondContact ND2-OE1 2.83Å; N485-E487 VanDerWaalsContact ND2-OE1 3.14Å; E487-H490 PolarHBondContact O-CE1 2.83Å; E487-H490 PolarHBondContact O-ND1 2.96Å
488	L	90.6	Very high	92.2	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	19.9	-177.3	-53	175.4	0	0	0	113.1	K448 M482 I483 G486 H490 I491 F496 I502 L506	K448-L488 PolarHBondContact NZ-O 2.82Å; M482-L488 HydrophobicContact CB-CD1 4Å; M482-L488 HydrophobicContact CB-CG 4.21Å; M482-L488 HydrophobicContact CE-CD2 4.07Å; I483-L488 HydrophobicContact CG1-CD1 3.85Å; G486-L488 PolarHBondContact O-N 2.98Å; L488-H490 VanDerWaalsContact C-N 3.26Å; L488-H490 PolarHBondContact O-N 2.85Å; L488-I491 HydrophobicContact CB-CD1 4.04Å; L488-I491 HydrophobicContact CB-CG1 4.41Å; L488-I491 HydrophobicContact CD2-CD1 3.56Å; L488-I491 HydrophobicContact CG-CD1 4.31Å; L488-I491 WeakPolarHBondContact O-CB 3.31Å; L488-I491 PolarHBondContact O-N 2.66Å; L488-F496 HydrophobicContact CB-CZ 3.94Å; L488-F496 HydrophobicContact CD1-CE1 4.13Å; L488-F496 HydrophobicContact CD1-CZ 4.3Å; L488-I502 HydrophobicContact CD1-CG2 4.2Å; L488-L506 HydrophobicContact CD2-CD2 4.35Å
489	D	90.4	Very high	92	Very high	48 Å²	48	39.5 Å²	39.5	26%	0.257	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-30	-178.8	-78.2	-14.7	0	0	0	113.1	R445 K448 G486 I491	R445-D489 WeakPolarHBondContact CG-OD1 3.45Å; R445-D489 IonicContact CZ-OD1 2.81Å; R445-D489 IonicContact CZ-OD2 3.57Å; R445-D489 VanDerWaalsContact CZ-OD2 3.31Å; R445-D489 IonicContact NE-OD1 3.69Å; R445-D489 PolarHBondContact NE-OD1 2.87Å; R445-D489 IonicContact NE-OD2 3.78Å; R445-D489 PolarHBondContact NE-OD2 3.08Å; R445-D489 VanDerWaalsContact NE-OD2 3.1Å; R445-D489 IonicContact NH2-OD2 3.99Å; R445-D489 PolarHBondContact NH2-OD2 2.75Å; K448-D489 VanDerWaalsContact NZ-CA 3.25Å; K448-D489 PolarHBondContact NZ-O 2.78Å; G486-D489 WeakPolarHBondContact CA-OD2 3.5Å; G486-D489 WeakPolarHBondContact O-CB 3.33Å; G486-D489 PolarHBondContact O-N 3.49Å; D489-I491 VanDerWaalsContact C-N 3.25Å; D489-I491 PolarHBondContact O-N 2.86Å
490	H	90.4	Very high	91.8	Very high	152 Å²	152	39.5 Å²	39.5	70%	0.704	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.3	177.5	63.7	-81	0	0	0	114	E487 L488	E487-H490 PolarHBondContact O-CE1 2.83Å; E487-H490 PolarHBondContact O-ND1 2.96Å; L488-H490 VanDerWaalsContact C-N 3.26Å; L488-H490 PolarHBondContact O-N 2.85Å
491	I	91.2	Very high	91.6	Very high	6 Å²	6	40 Å²	40	3%	0.031	21%	0.214	C	C	.	.	S	Bend	trans	-83.8	136.6	-176.8	-60.2	-172.8	0	0	0	110.7	K448 L488 D489 A495 F496 V505 L506 A509	K448-I491 WeakPolarHBondContact CE-O 3.4Å; K448-I491 PolarHBondContact NZ-O 2.96Å; L488-I491 HydrophobicContact CB-CD1 4.04Å; L488-I491 HydrophobicContact CB-CG1 4.41Å; L488-I491 HydrophobicContact CD2-CD1 3.56Å; L488-I491 HydrophobicContact CG-CD1 4.31Å; L488-I491 WeakPolarHBondContact O-CB 3.31Å; L488-I491 PolarHBondContact O-N 2.66Å; D489-I491 VanDerWaalsContact C-N 3.25Å; D489-I491 PolarHBondContact O-N 2.86Å; I491-A495 HydrophobicContact CG2-CB 3.72Å; I491-F496 HydrophobicContact CB-CE2 3.92Å; I491-F496 HydrophobicContact CB-CZ 4.21Å; I491-F496 HydrophobicContact CG2-CD2 4.35Å; I491-F496 HydrophobicContact CG2-CE2 3.57Å; I491-F496 HydrophobicContact CG2-CZ 4.09Å; I491-V505 HydrophobicContact CD1-CG1 4.29Å; I491-V505 HydrophobicContact CG2-CG1 4Å; I491-L506 HydrophobicContact CD1-CD2 3.55Å; I491-A509 HydrophobicContact CG2-CB 3.81Å
492	P	91.8	Very high	91.3	Very high	65 Å²	65	36.3 Å²	36.3	42%	0.422	20%	0.198	S	C	.	.			trans	-64.6	143.4	176.6	26.4	-35.4	0	0	0	112.7	A494 A495 L512	P492-A494 PolarHBondContact O-N 3.26Å; P492-A494 VanDerWaalsContact O-N 3.12Å; P492-A495 HydrophobicContact CG-CB 4.37Å; P492-A495 WeakPolarHBondContact O-CB 3.43Å; P492-A495 PolarHBondContact O-N 2.96Å; P492-L512 HydrophobicContact CG-CD1 4.41Å
493	E	90.3	Very high	91.1	Very high	47 Å²	47	38.4 Å²	38.4	22%	0.22	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-56.5	-32.4	-178.4	-59.9	-177.3	-173	0	0	113.5	K448 R451 A495 F496	K448-E493 HydrophobicContact CG-CG 4.08Å; R451-E493 VanDerWaalsContact CD-O 3.3Å; R451-E493 WeakPolarHBondContact CD-O 3.3Å; R451-E493 IonicContact CZ-OE2 3.68Å; R451-E493 IonicContact NH1-OE2 3.86Å; R451-E493 PolarHBondContact NH1-OE2 3.09Å; R451-E493 IonicContact NH2-OE2 2.75Å; E493-A495 PolarHBondContact O-N 3.47Å; E493-F496 PolarHBondContact O-N 2.84Å
494	A	90.9	Very high	90.9	Very high	54 Å²	54	40.5 Å²	40.5	45%	0.446	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-65	-25	-179.5	0	0	0	0	0	113.7	P492 F496 F497 K508 L512	P492-A494 PolarHBondContact O-N 3.26Å; P492-A494 VanDerWaalsContact O-N 3.12Å; A494-F496 PolarHBondContact O-N 2.85Å; A494-F497 PolarHBondContact O-N 3.37Å; A494-K508 WeakPolarHBondContact O-CE 3.34Å; A494-K508 PolarHBondContact O-NZ 3.09Å; A494-L512 HydrophobicContact CB-CD1 4.07Å
495	A	91.8	Very high	90.8	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-67.5	-26.1	177.2	0	0	0	0	0	112.1	I491 P492 E493 F497 V499 V505 A509 L512	I491-A495 HydrophobicContact CG2-CB 3.72Å; P492-A495 HydrophobicContact CG-CB 4.37Å; P492-A495 WeakPolarHBondContact O-CB 3.43Å; P492-A495 PolarHBondContact O-N 2.96Å; E493-A495 PolarHBondContact O-N 3.47Å; A495-F497 VanDerWaalsContact C-N 3.34Å; A495-F497 PolarHBondContact O-N 2.94Å; A495-V499 WeakPolarHBondContact O-CG1 3.2Å; A495-V505 HydrophobicContact CB-CG1 4.09Å; A495-A509 HydrophobicContact CB-CB 4.01Å; A495-L512 HydrophobicContact CB-CD1 4.27Å
496	F	93.6	Very high	90.7	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-81.7	-8.8	-179.1	-65.7	-91.3	0	0	0	114.1	K448 R451 F452 I483 L488 I491 E493 A494 V499 V505	K448-F496 HydrophobicContact CB-CD1 4.47Å; K448-F496 HydrophobicContact CB-CD2 4.06Å; K448-F496 HydrophobicContact CB-CE2 4.13Å; K448-F496 HydrophobicContact CB-CG 4.23Å; K448-F496 HydrophobicContact CB-CZ 4.35Å; K448-F496 HydrophobicContact CD-CD2 4.31Å; K448-F496 HydrophobicContact CD-CE2 3.71Å; K448-F496 HydrophobicContact CD-CZ 4.06Å; K448-F496 HydrophobicContact CG-CD2 3.84Å; K448-F496 HydrophobicContact CG-CE2 3.76Å; K448-F496 HydrophobicContact CG-CG 4.49Å; K448-F496 HydrophobicContact CG-CZ 4.34Å; R451-F496 CarbonylContact C-O 3.54Å; R451-F496 HydrophobicContact CB-CB 3.91Å; F452-F496 WeakPolarHBondContact CA-O 3.37Å; F452-F496 HydrophobicContact CB-CB 4.19Å; F452-F496 HydrophobicContact CB-CD1 3.89Å; F452-F496 HydrophobicContact CB-CG 4.5Å; F452-F496 AromaticContact CD2-CD1 3.96Å; F452-F496 HydrophobicContact CD2-CD1 3.96Å; F452-F496 HydrophobicContact CG-CD1 4.08Å; F452-F496 PolarHBondContact N-O 2.86Å; I483-F496 HydrophobicContact CD1-CD1 4.05Å; I483-F496 HydrophobicContact CD1-CE1 3.72Å; I483-F496 HydrophobicContact CG1-CE1 3.9Å; L488-F496 HydrophobicContact CB-CZ 3.94Å; L488-F496 HydrophobicContact CD1-CE1 4.13Å; L488-F496 HydrophobicContact CD1-CZ 4.3Å; I491-F496 HydrophobicContact CB-CE2 3.92Å; I491-F496 HydrophobicContact CB-CZ 4.21Å; I491-F496 HydrophobicContact CG2-CD2 4.35Å; I491-F496 HydrophobicContact CG2-CE2 3.57Å; I491-F496 HydrophobicContact CG2-CZ 4.09Å; E493-F496 PolarHBondContact O-N 2.84Å; A494-F496 PolarHBondContact O-N 2.85Å; F496-V499 WeakPolarHBondContact O-CG2 3.42Å; F496-V505 HydrophobicContact CD1-CG1 3.86Å; F496-V505 HydrophobicContact CD1-CG2 3.96Å; F496-V505 HydrophobicContact CD2-CG1 4.26Å; F496-V505 HydrophobicContact CE1-CG1 3.71Å; F496-V505 HydrophobicContact CE1-CG2 4.32Å; F496-V505 HydrophobicContact CE2-CG1 4.11Å; F496-V505 HydrophobicContact CG-CG1 4.16Å; F496-V505 HydrophobicContact CZ-CG1 3.85Å
497	F	92.8	Very high	90.7	Very high	65 Å²	65	43.2 Å²	43.2	29%	0.285	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	125.5	-174.3	-178.2	-108.6	0	0	0	113.3	G382 R451 R466 A494 A495 K508	G382-F497 WeakPolarHBondContact O-CE2 3.29Å; G382-F497 WeakPolarHBondContact O-CZ 3.36Å; R451-F497 HydrophobicContact CB-CB 4.39Å; R451-F497 HydrophobicContact CG-CD2 4.47Å; R466-F497 PolarHBondContact NH1-O 3.28Å; A494-F497 PolarHBondContact O-N 3.37Å; A495-F497 VanDerWaalsContact C-N 3.34Å; A495-F497 PolarHBondContact O-N 2.94Å; F497-K508 PolarHBondContact O-NZ 2.98Å
498	M	90	Very high	90.6	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.059	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	57.3	174.6	-71.6	-68.9	-70.2	0	0	111.7	S454 P456 I464 R466	S454-M498 WeakPolarHBondContact OG-CA 3.42Å; S454-M498 PolarHBondContact OG-N 3.17Å; P456-M498 HydrophobicContact CB-CE 4.05Å; I464-M498 HydrophobicContact CD1-CE 3.55Å; I464-M498 HydrophobicContact CG2-CE 3.86Å; R466-M498 PolarHBondContact NH1-O 2.72Å
499	V	90.3	Very high	90.5	Very high	10 Å²	10	41 Å²	41	6%	0.061	22%	0.216	C	C	.	.			trans	-129	158	179.1	-64	0	0	0	0	109.7	K177 F452 A495 F496 D504 V505 K508	K177-V499 PolarHBondContact NZ-O 3.43Å; F452-V499 HydrophobicContact CD2-CG2 4.03Å; F452-V499 HydrophobicContact CE2-CG2 4.23Å; A495-V499 WeakPolarHBondContact O-CG1 3.2Å; F496-V499 WeakPolarHBondContact O-CG2 3.42Å; V499-D504 HydrophobicContact CB-CB 3.95Å; V499-D504 HydrophobicContact CG1-CB 4.4Å; V499-V505 HydrophobicContact CG2-CG2 3.65Å; V499-K508 HydrophobicContact CG1-CD 3.83Å
500	G	89	Confident	90.5	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.01	23%	0.229	C	C	.	.	S	Bend	trans	-82.7	-95.2	175.1	0	0	0	0	0	111.3	K177 D504	K177-G500 WeakPolarHBondContact CD-O 3.39Å; K177-G500 WeakPolarHBondContact CE-O 3.46Å; K177-G500 PolarHBondContact NZ-O 2.83Å; G500-D504 WeakPolarHBondContact CA-OD2 3.09Å; G500-D504 PolarHBondContact N-OD2 2.77Å
501	G	89.7	Confident	90.4	Very high	10 Å²	10	42.1 Å²	42.1	10%	0.103	22%	0.22	C	C	.	.	S	Bend	trans	-84.4	-175.3	-176.1	0	0	0	0	0	114.4	E503 D504 V505	G501-E503 VanDerWaalsContact C-N 3.28Å; G501-D504 PolarHBondContact N-OD2 2.89Å; G501-D504 VanDerWaalsContact N-OD2 3.13Å; G501-V505 PolarHBondContact O-N 3.42Å
502	I	89.4	Confident	90.2	Very high	4 Å²	4	44 Å²	44	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-34.7	173.2	-63.8	160.1	0	0	0	110.5	F452 K478 G479 M482 L488 D504 V505 L506	F452-I502 HydrophobicContact CZ-CG1 4.47Å; K478-I502 HydrophobicContact CB-CD1 4.4Å; K478-I502 HydrophobicContact CD-CD1 4.22Å; K478-I502 HydrophobicContact CG-CD1 3.89Å; G479-I502 VanDerWaalsContact N-CD1 3.33Å; M482-I502 HydrophobicContact CB-CD1 4.45Å; M482-I502 HydrophobicContact CG-CD1 4.19Å; M482-I502 HydrophobicContact SD-CD1 3.33Å; M482-I502 WeakPolarHBondContact SD-CD1 3.11Å; M482-I502 HydrophobicContact SD-CG1 4.47Å; M482-I502 HydrophobicContact SD-CG2 4.3Å; L488-I502 HydrophobicContact CD1-CG2 4.2Å; I502-D504 VanDerWaalsContact C-N 3.26Å; I502-D504 PolarHBondContact O-N 2.66Å; I502-V505 WeakPolarHBondContact O-CA 3.38Å; I502-V505 VanDerWaalsContact O-CB 3.28Å; I502-V505 WeakPolarHBondContact O-CB 3.45Å; I502-V505 PolarHBondContact O-N 2.84Å; I502-L506 HydrophobicContact CG2-CD1 4.11Å; I502-L506 HydrophobicContact CG2-CG 4.27Å; I502-L506 PolarHBondContact O-N 3.06Å
503	E	90.2	Very high	89.9	Confident	82 Å²	82	43.8 Å²	43.8	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-57.5	-44.4	179.8	-64.9	73.6	-162.8	0	0	109.6	K478 G501 V505 L506 E507	K478-E503 IonicContact NZ-OE1 2.74Å; K478-E503 PolarHBondContact NZ-OE1 2.77Å; G501-E503 VanDerWaalsContact C-N 3.28Å; E503-V505 VanDerWaalsContact C-N 3.3Å; E503-V505 PolarHBondContact O-N 2.71Å; E503-L506 PolarHBondContact O-N 2.77Å; E503-E507 WeakPolarHBondContact O-CG 3.47Å; E503-E507 PolarHBondContact O-N 3.23Å
504	D	89.3	Confident	89.7	Confident	45 Å²	45	50.3 Å²	50.3	24%	0.241	26%	0.256	C	S	.	.	H	α-helix	trans	-61.9	-35.1	173.3	-61	-22.7	0	0	0	112.8	V499 G500 G501 I502 K508	V499-D504 HydrophobicContact CB-CB 3.95Å; V499-D504 HydrophobicContact CG1-CB 4.4Å; G500-D504 WeakPolarHBondContact CA-OD2 3.09Å; G500-D504 PolarHBondContact N-OD2 2.77Å; G501-D504 PolarHBondContact N-OD2 2.89Å; G501-D504 VanDerWaalsContact N-OD2 3.13Å; I502-D504 VanDerWaalsContact C-N 3.26Å; I502-D504 PolarHBondContact O-N 2.66Å; D504-K508 WeakPolarHBondContact O-CB 3.43Å; D504-K508 PolarHBondContact O-N 2.85Å
505	V	90.3	Very high	89.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.4	-45	176.7	176.4	0	0	0	0	110.2	F452 I491 A495 F496 V499 G501 I502 E503 K508 A509	F452-V505 HydrophobicContact CD2-CG2 3.88Å; F452-V505 HydrophobicContact CE2-CG2 3.74Å; I491-V505 HydrophobicContact CD1-CG1 4.29Å; I491-V505 HydrophobicContact CG2-CG1 4Å; A495-V505 HydrophobicContact CB-CG1 4.09Å; F496-V505 HydrophobicContact CD1-CG1 3.86Å; F496-V505 HydrophobicContact CD1-CG2 3.96Å; F496-V505 HydrophobicContact CD2-CG1 4.26Å; F496-V505 HydrophobicContact CE1-CG1 3.71Å; F496-V505 HydrophobicContact CE1-CG2 4.32Å; F496-V505 HydrophobicContact CE2-CG1 4.11Å; F496-V505 HydrophobicContact CG-CG1 4.16Å; F496-V505 HydrophobicContact CZ-CG1 3.85Å; V499-V505 HydrophobicContact CG2-CG2 3.65Å; G501-V505 PolarHBondContact O-N 3.42Å; I502-V505 WeakPolarHBondContact O-CA 3.38Å; I502-V505 VanDerWaalsContact O-CB 3.28Å; I502-V505 WeakPolarHBondContact O-CB 3.45Å; I502-V505 PolarHBondContact O-N 2.84Å; E503-V505 VanDerWaalsContact C-N 3.3Å; E503-V505 PolarHBondContact O-N 2.71Å; V505-K508 PolarHBondContact O-N 3.34Å; V505-A509 VanDerWaalsContact O-CB 3.29Å; V505-A509 WeakPolarHBondContact O-CB 3.3Å; V505-A509 PolarHBondContact O-N 3.37Å
506	L	91.2	Very high	88.5	Confident	70 Å²	70	59.8 Å²	59.8	37%	0.366	30%	0.3	S	S	.	.	H	α-helix	trans	-66.3	-46.6	-179.7	-68.4	170.6	0	0	0	111.2	L488 I491 I502 E503 K508 A509 E510	L488-L506 HydrophobicContact CD2-CD2 4.35Å; I491-L506 HydrophobicContact CD1-CD2 3.55Å; I502-L506 HydrophobicContact CG2-CD1 4.11Å; I502-L506 HydrophobicContact CG2-CG 4.27Å; I502-L506 PolarHBondContact O-N 3.06Å; E503-L506 PolarHBondContact O-N 2.77Å; L506-K508 VanDerWaalsContact C-N 3.31Å; L506-K508 PolarHBondContact O-N 2.82Å; L506-A509 WeakPolarHBondContact O-CB 3.41Å; L506-A509 PolarHBondContact O-N 2.9Å; L506-E510 PolarHBondContact O-N 2.8Å
507	E	90.7	Very high	87.3	Confident	132 Å²	132	66.2 Å²	66.2	62%	0.617	35%	0.354	S	S	*	.	H	α-helix	trans	-58.4	-44.4	176.3	-72.2	-178.5	-175.5	0	0	111.6	E503 E510 Q511	E503-E507 WeakPolarHBondContact O-CG 3.47Å; E503-E507 PolarHBondContact O-N 3.23Å; E507-E510 PolarHBondContact O-N 3.19Å; E507-Q511 PolarHBondContact O-N 3.3Å
508	K	88.9	Confident	87	Confident	42 Å²	42	66.3 Å²	66.3	18%	0.183	36%	0.357	C	S	.	.	H	α-helix	trans	-69	-34.5	178.1	-172	170.8	172.9	-165.3	0	112.6	A494 F497 V499 D504 V505 L506 Q511 L512	A494-K508 WeakPolarHBondContact O-CE 3.34Å; A494-K508 PolarHBondContact O-NZ 3.09Å; F497-K508 PolarHBondContact O-NZ 2.98Å; V499-K508 HydrophobicContact CG1-CD 3.83Å; D504-K508 WeakPolarHBondContact O-CB 3.43Å; D504-K508 PolarHBondContact O-N 2.85Å; V505-K508 PolarHBondContact O-N 3.34Å; L506-K508 VanDerWaalsContact C-N 3.31Å; L506-K508 PolarHBondContact O-N 2.82Å; K508-Q511 PolarHBondContact O-N 2.91Å; K508-L512 HydrophobicContact CG-CD1 4.34Å; K508-L512 VanDerWaalsContact O-CG 3.3Å; K508-L512 WeakPolarHBondContact O-CG 3.4Å; K508-L512 PolarHBondContact O-N 3.35Å
509	A	88.4	Confident	86.8	Confident	15 Å²	15	69.2 Å²	69.2	12%	0.124	37%	0.373	C	S	.	.	H	α-helix	trans	-63.9	-42.1	174.2	0	0	0	0	0	111.4	I491 A495 V505 L506 L512 A513	I491-A509 HydrophobicContact CG2-CB 3.81Å; A495-A509 HydrophobicContact CB-CB 4.01Å; V505-A509 VanDerWaalsContact O-CB 3.29Å; V505-A509 WeakPolarHBondContact O-CB 3.3Å; V505-A509 PolarHBondContact O-N 3.37Å; L506-A509 WeakPolarHBondContact O-CB 3.41Å; L506-A509 PolarHBondContact O-N 2.9Å; A509-L512 PolarHBondContact O-N 2.92Å; A509-A513 WeakPolarHBondContact O-CB 3.11Å; A509-A513 PolarHBondContact O-N 3.41Å
510	E	90.1	Very high	86.6	Confident	114 Å²	114	72.4 Å²	72.4	53%	0.533	39%	0.39	S	S	.	.	H	α-helix	trans	-62.6	-41.7	173.8	-71.8	-173.3	-168.7	0	0	112.1	L506 E507 A513 R514	L506-E510 PolarHBondContact O-N 2.8Å; E507-E510 PolarHBondContact O-N 3.19Å; E510-A513 PolarHBondContact O-N 2.84Å; E510-R514 WeakPolarHBondContact O-CG 3.44Å; E510-R514 PolarHBondContact O-N 3.49Å; E510-R514 IonicContact OE2-NH2 2.69Å
511	Q	88.5	Confident	86.5	Confident	110 Å²	110	76.6 Å²	76.6	51%	0.514	41%	0.412	S	S	.	.	H	α-helix	trans	-61.8	-47.8	176.4	-175	-179.5	-10.3	0	0	111.8	E507 K508 A513 R514 E515	E507-Q511 PolarHBondContact O-N 3.3Å; K508-Q511 PolarHBondContact O-N 2.91Å; Q511-A513 VanDerWaalsContact C-N 3.29Å; Q511-A513 PolarHBondContact O-N 2.93Å; Q511-R514 PolarHBondContact O-N 2.79Å; Q511-R514 VanDerWaalsContact O-N 3.13Å; Q511-E515 WeakPolarHBondContact CG-OE1 3.35Å; Q511-E515 PolarHBondContact NE2-OE1 2.79Å; Q511-E515 WeakPolarHBondContact O-CG 3.37Å; Q511-E515 PolarHBondContact O-N 2.87Å
512	L	86.5	Confident	86.3	Confident	46 Å²	46	80.8 Å²	80.8	24%	0.241	43%	0.432	C	S	.	.	H	α-helix	trans	-62.8	-36.6	178.3	-71.5	170.7	0	0	0	112.1	P492 A494 A495 K508 A509 R514 E515 T516	P492-L512 HydrophobicContact CG-CD1 4.41Å; A494-L512 HydrophobicContact CB-CD1 4.07Å; A495-L512 HydrophobicContact CB-CD1 4.27Å; K508-L512 HydrophobicContact CG-CD1 4.34Å; K508-L512 VanDerWaalsContact O-CG 3.3Å; K508-L512 WeakPolarHBondContact O-CG 3.4Å; K508-L512 PolarHBondContact O-N 3.35Å; A509-L512 PolarHBondContact O-N 2.92Å; L512-R514 VanDerWaalsContact C-N 3.34Å; L512-E515 PolarHBondContact O-N 3.31Å; L512-T516 WeakPolarHBondContact O-CB 3.39Å; L512-T516 PolarHBondContact O-N 3.36Å; L512-T516 VanDerWaalsContact O-N 3.11Å; L512-T516 PolarHBondContact O-OG1 3.11Å
513	A	86	Confident	86.1	Confident	60 Å²	60	85.9 Å²	85.9	50%	0.496	46%	0.459	S	S	.	.	H	α-helix	trans	-64.8	-38.5	174.8	0	0	0	0	0	111.9	A509 E510 Q511 T516 A517	A509-A513 WeakPolarHBondContact O-CB 3.11Å; A509-A513 PolarHBondContact O-N 3.41Å; E510-A513 PolarHBondContact O-N 2.84Å; Q511-A513 VanDerWaalsContact C-N 3.29Å; Q511-A513 PolarHBondContact O-N 2.93Å; A513-T516 PolarHBondContact O-N 3.28Å; A513-A517 WeakPolarHBondContact O-CB 3.27Å; A513-A517 PolarHBondContact O-N 3.48Å; A513-A517 VanDerWaalsContact O-N 3.13Å
514	R	85.3	Confident	85.8	Confident	183 Å²	183	86.2 Å²	86.2	69%	0.691	47%	0.465	S	S	*	.	H	α-helix	trans	-70.5	-31.6	175.6	-70.5	178.7	-167.1	176.9	9.8	113.5	E510 Q511 L512 T516	E510-R514 WeakPolarHBondContact O-CG 3.44Å; E510-R514 PolarHBondContact O-N 3.49Å; E510-R514 IonicContact OE2-NH2 2.69Å; Q511-R514 PolarHBondContact O-N 2.79Å; Q511-R514 VanDerWaalsContact O-N 3.13Å; L512-R514 VanDerWaalsContact C-N 3.34Å; R514-T516 VanDerWaalsContact C-N 3.35Å
515	E	81.4	Confident	85.5	Confident	127 Å²	127	89.4 Å²	89.4	59%	0.593	48%	0.482	S	S	*	.	H	α-helix	trans	-76.8	-24.5	177.4	-72.2	173.7	-171.7	0	0	112.5	Q511 L512	Q511-E515 WeakPolarHBondContact CG-OE1 3.35Å; Q511-E515 PolarHBondContact NE2-OE1 2.79Å; Q511-E515 WeakPolarHBondContact O-CG 3.37Å; Q511-E515 PolarHBondContact O-N 2.87Å; L512-E515 PolarHBondContact O-N 3.31Å
516	T	77.6	Confident	85.1	Confident	126 Å²	126	96.8 Å²	96.8	77%	0.773	52%	0.522	S	S	*	.	H	α-helix	trans	-91.2	-24.6	-179.1	-48.7	0	0	0	0	112.8	L512 A513 R514	L512-T516 WeakPolarHBondContact O-CB 3.39Å; L512-T516 PolarHBondContact O-N 3.36Å; L512-T516 VanDerWaalsContact O-N 3.11Å; L512-T516 PolarHBondContact O-OG1 3.11Å; A513-T516 PolarHBondContact O-N 3.28Å; R514-T516 VanDerWaalsContact C-N 3.35Å
517	A	66.9	Low	84.6	Confident	137 Å²	137	99.3 Å²	99.3	100%	1.132	54%	0.536	S	S	*	.			trans	-82.4	0	176	0	0	0	0	0	111.5	A513	A513-A517 WeakPolarHBondContact O-CB 3.27Å; A513-A517 PolarHBondContact O-N 3.48Å; A513-A517 VanDerWaalsContact O-N 3.13Å

Retrieved 517 of 517 residues in 123.4 ms (Link to these results)

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