A0A5K4F7F6_SCHMA Loading...

Phosphatidylinositol-4-phosphate 5-kinase type I, putative

AlphaFold DB , UniProt , Accession A0A5K4F7F6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 617 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.2	Very low	43.4	Very low	242 Å²	242	126.4 Å²	126.4	100%	1.192	85%	0.845	S	S	*	*				0	94.1	0	-72	-165.2	170.8	0	0	107.2
2	A	38.2	Very low	44.6	Very low	105 Å²	105	125.3 Å²	125.3	87%	0.868	84%	0.836	S	S	*	*				67.2	98.7	116.6	0	0	0	0	0	112.2
3	G	36.9	Very low	44.5	Very low	73 Å²	73	123.1 Å²	123.1	75%	0.753	82%	0.824	S	S	*	*				102.5	140.8	82.7	0	0	0	0	0	107.2
4	V	45.3	Very low	44.7	Very low	156 Å²	156	126.7 Å²	126.7	95%	0.945	82%	0.822	S	S	*	*			cis	-167.2	163.9	45.8	171.6	0	0	0	0	108.6
5	H	39.4	Very low	44.8	Very low	170 Å²	170	125.9 Å²	125.9	79%	0.787	81%	0.814	S	S	*	*			trans	-111.5	177.4	-160.4	-143.3	-84.2	0	0	0	112
6	V	46.2	Very low	44.4	Very low	122 Å²	122	125.1 Å²	125.1	74%	0.739	81%	0.813	S	S	*	*			trans	76.7	143.4	156.9	-127.6	0	0	0	0	117.6
7	S	43.6	Very low	44.5	Very low	106 Å²	106	124.6 Å²	124.6	74%	0.741	81%	0.81	S	S	*	*			cis	-166.6	141.5	17.1	-23.8	0	0	0	0	107.7
8	G	39.4	Very low	44.1	Very low	76 Å²	76	125.3 Å²	125.3	78%	0.784	81%	0.812	S	S	*	*				75.4	153.2	86.7	0	0	0	0	0	114.5
9	P	48.2	Very low	44.1	Very low	140 Å²	140	128.7 Å²	128.7	91%	0.909	81%	0.812	S	S	*	*			cis	-137.9	-173.9	2.3	39	-16.4	0	0	0	116.2
10	G	41.5	Very low	43.9	Very low	73 Å²	73	130.1 Å²	130.1	75%	0.753	81%	0.812	S	S	*	*			trans	-98	-157.9	-164.2	0	0	0	0	0	120.7
11	P	61	Low	43.7	Very low	127 Å²	127	128.3 Å²	128.3	83%	0.825	81%	0.811	S	S	*	*			trans	-118.1	-171.1	-155	44.5	-33.9	0	0	0	115.7
12	P	57	Low	44	Very low	113 Å²	113	124.9 Å²	124.9	73%	0.734	80%	0.796	S	S	*	*			trans	-137.3	132.4	148.3	33	-15.8	0	0	0	113.2
13	S	43.4	Very low	43.9	Very low	97 Å²	97	125.7 Å²	125.7	68%	0.678	79%	0.792	S	S	*	*				80.5	124.8	67.5	76.5	0	0	0	0	116.6
14	H	47.5	Very low	44.1	Very low	174 Å²	174	127.2 Å²	127.2	81%	0.806	79%	0.792	S	S	*	*			trans	170.7	97.2	145.3	-85.4	-57.8	0	0	0	110.4
15	T	46	Very low	43.8	Very low	114 Å²	114	126.3 Å²	126.3	70%	0.699	79%	0.787	S	S	*	*				68.4	103.6	92.5	56.7	0	0	0	0	116.8
16	S	38.4	Very low	44.1	Very low	113 Å²	113	123 Å²	123	79%	0.79	78%	0.783	S	S	*	*				93.5	162.1	84.8	-56.2	0	0	0	0	113.9
17	P	46.9	Very low	43.8	Very low	117 Å²	117	128.1 Å²	128.1	76%	0.76	79%	0.789	S	S	*	*			cis	-141.3	158.7	-7	31.1	-7.2	0	0	0	118.7
18	T	37.5	Very low	43.7	Very low	138 Å²	138	129.6 Å²	129.6	85%	0.847	79%	0.788	S	S	*	*			trans	28	127.3	135.9	-30.8	0	0	0	0	124.7
19	K	43.2	Very low	43.9	Very low	189 Å²	189	133.9 Å²	133.9	82%	0.822	79%	0.788	S	S	*	*			trans	-156.4	117.4	140.1	-145.1	173.8	-174.1	-174.9	0	114.8
20	L	41.3	Very low	43.6	Very low	156 Å²	156	130.9 Å²	130.9	82%	0.817	78%	0.775	S	S	*	*			trans	52.9	129.7	145.7	-80.5	137.2	0	0	0	123.4
21	A	39.5	Very low	43.5	Very low	94 Å²	94	136.8 Å²	136.8	78%	0.777	77%	0.774	S	S	*	*			trans	-92.5	152.2	176.8	0	0	0	0	0	113.5
22	L	43.3	Very low	42.5	Very low	170 Å²	170	137 Å²	137	89%	0.89	77%	0.768	S	S	*	*			trans	-156.9	142.1	151.4	-95.5	153.1	0	0	0	107.9
23	P	37.3	Very low	41.7	Very low	121 Å²	121	136 Å²	136	79%	0.786	77%	0.77	S	S	*	*			trans	-91.2	133.6	-165.3	34.4	-30.1	0	0	0	112
24	S	40.2	Very low	41.6	Very low	105 Å²	105	138.9 Å²	138.9	73%	0.734	77%	0.773	S	S	*	*			trans	-129.3	92.5	170.8	67.1	0	0	0	0	110.9	S26	S24-S26 PolarHBondContact O-N 3.19Å
25	T	39.1	Very low	41.3	Very low	138 Å²	138	135.1 Å²	135.1	85%	0.847	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.7	109	147.7	34.8	0	0	0	0	109.7
26	S	45.3	Very low	41.3	Very low	100 Å²	100	139.3 Å²	139.3	70%	0.699	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-178.3	-10.6	160.4	-81.1	0	0	0	0	114.5	S24 N28	S24-S26 PolarHBondContact O-N 3.19Å; S26-N28 VanDerWaalsContact C-N 3.33Å; S26-N28 PolarHBondContact O-N 3.33Å
27	R	41.5	Very low	42	Very low	230 Å²	230	142.2 Å²	142.2	87%	0.868	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.9	-4.4	-175.7	-100.2	-179.9	-175.4	170.8	2.4	116.8
28	N	40.9	Very low	42.6	Very low	136 Å²	136	141.6 Å²	141.6	73%	0.727	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	0.5	177.8	-83.2	-7.1	0	0	0	115.1	S26	S26-N28 VanDerWaalsContact C-N 3.33Å; S26-N28 PolarHBondContact O-N 3.33Å
29	Q	43.3	Very low	44.2	Very low	167 Å²	167	143 Å²	143	78%	0.78	75%	0.748	S	S	*	*	S	Bend	trans	-95.5	-9.6	173.4	-73.1	-179.8	9.8	0	0	113.7
30	A	41.6	Very low	45.8	Very low	76 Å²	76	140.3 Å²	140.3	63%	0.628	74%	0.737	S	S	*	*	S	Bend	trans	-84.8	-6.8	178.3	0	0	0	0	0	114.1
31	R	38.6	Very low	47.3	Very low	197 Å²	197	136.1 Å²	136.1	74%	0.743	72%	0.715	S	S	*	*	S	Bend	trans	-95	-11.6	177.3	-76.9	-176.6	173.1	175.2	-1.4	114.1
32	D	40.3	Very low	49.1	Very low	132 Å²	132	133.7 Å²	133.7	71%	0.706	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-4.7	179.4	-70.8	-31.4	0	0	0	113.8
33	A	40.9	Very low	50.9	Low	92 Å²	92	129.5 Å²	129.5	76%	0.76	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-6.8	173.7	0	0	0	0	0	114
34	E	40.7	Very low	53.1	Low	158 Å²	158	125.1 Å²	125.1	74%	0.738	64%	0.642	S	S	*	*	S	Bend	trans	-107.6	19.4	-166.9	-139.5	174.3	-170.2	0	0	114.4
35	S	41.6	Very low	55.3	Low	94 Å²	94	122.2 Å²	122.2	66%	0.657	62%	0.615	S	S	*	*			trans	-116.3	8.1	-172	78	0	0	0	0	117.2	K37	S35-K37 PolarHBondContact O-N 3.32Å
36	R	47.1	Very low	57.4	Low	202 Å²	202	117.5 Å²	117.5	76%	0.762	59%	0.586	S	S	*	*			trans	-78.1	46	167.9	-73.5	-172.5	-179.4	-178.2	1.9	112.6	E38	R36-E38 PolarHBondContact O-N 2.79Å
37	K	52.9	Low	59.2	Low	174 Å²	174	114.2 Å²	114.2	76%	0.757	56%	0.562	S	S	*	*			trans	-61.9	129.3	177	-72.1	178.7	178.4	174.1	0	110.2	S35 K39	S35-K37 PolarHBondContact O-N 3.32Å; K37-K39 PolarHBondContact O-N 3.33Å; K37-K39 VanDerWaalsContact O-N 3.17Å
38	E	59.5	Low	61	Low	104 Å²	104	110.4 Å²	110.4	49%	0.486	55%	0.554	S	S	.	*			trans	-41.1	120.3	172.5	-72.7	-171.9	154.6	0	0	111.1	R36 K40	R36-E38 PolarHBondContact O-N 2.79Å; E38-K40 PolarHBondContact O-N 2.94Å; E38-K40 VanDerWaalsContact O-N 3.09Å
39	K	69.6	Low	63	Low	167 Å²	167	112.1 Å²	112.1	73%	0.726	56%	0.557	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.4	103.4	174.3	-69.3	-177	-178	177.5	0	108.7	K37 V46	K37-K39 PolarHBondContact O-N 3.33Å; K37-K39 VanDerWaalsContact O-N 3.17Å; K39-V46 PolarHBondContact O-N 2.94Å
40	K	78.1	Confident	64.8	Low	133 Å²	133	106.5 Å²	106.5	58%	0.578	54%	0.544	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104	124.8	178.6	180	-178.4	171.9	-164.7	0	111.1	E38 G42 R44 R45	E38-K40 PolarHBondContact O-N 2.94Å; E38-K40 VanDerWaalsContact O-N 3.09Å; K40-G42 WeakPolarHBondContact CE-O 3.38Å; K40-R44 WeakPolarHBondContact CA-O 3.22Å; K40-R45 HydrophobicContact CB-CG 4.13Å; K40-R45 HydrophobicContact CG-CG 3.97Å
41	I	71.7	Confident	66.8	Low	69 Å²	69	105.6 Å²	105.6	35%	0.354	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	113.6	171.6	-58.8	172	0	0	0	107.3	H43 R44 P153 G157	I41-H43 PolarHBondContact O-N 3.22Å; I41-H43 VanDerWaalsContact O-N 3.12Å; I41-R44 PolarHBondContact N-O 2.89Å; I41-R44 WeakPolarHBondContact O-CB 3.48Å; I41-R44 PolarHBondContact O-N 3.41Å; I41-P153 HydrophobicContact CD1-CB 4.16Å; I41-P153 HydrophobicContact CD1-CG 3.7Å; I41-P153 HydrophobicContact CG2-CB 4.38Å; I41-G157 WeakPolarHBondContact O-CA 3.44Å
42	G	78.5	Confident	69.1	Low	43 Å²	43	97.3 Å²	97.3	44%	0.443	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-116.7	-173.9	0	0	0	0	0	112.4	K40	K40-G42 WeakPolarHBondContact CE-O 3.38Å
43	H	80.6	Confident	71.4	Confident	81 Å²	81	91.7 Å²	91.7	38%	0.375	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-8.8	176.4	-71.3	-37.8	0	0	0	114.5	I41 Y54 K55	I41-H43 PolarHBondContact O-N 3.22Å; I41-H43 VanDerWaalsContact O-N 3.12Å; H43-Y54 HydrophobicContact CB-CD2 3.83Å; H43-Y54 HydrophobicContact CB-CE1 4.43Å; H43-Y54 HydrophobicContact CB-CE2 3.42Å; H43-Y54 VanDerWaalsContact CB-CE2 3.42Å; H43-Y54 HydrophobicContact CB-CG 4.49Å; H43-K55 HydrophobicContact CB-CG 3.84Å; H43-K55 WeakPolarHBondContact CD2-CE 3.48Å; H43-K55 PolarHBondContact O-N 3.23Å
44	R	84	Confident	73.6	Confident	29 Å²	29	87.5 Å²	87.5	11%	0.109	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	139.7	176.5	-179.6	-179.5	-178.7	-96.4	-0.1	110.7	K40 I41 V52 T53 Y54 G157 I159	K40-R44 WeakPolarHBondContact CA-O 3.22Å; I41-R44 PolarHBondContact N-O 2.89Å; I41-R44 WeakPolarHBondContact O-CB 3.48Å; I41-R44 PolarHBondContact O-N 3.41Å; R44-V52 HydrophobicContact CG-CG1 3.91Å; R44-T53 CarbonylContact C-O 3.56Å; R44-T53 VanDerWaalsContact CA-O 3.31Å; R44-T53 WeakPolarHBondContact CA-O 3.13Å; R44-Y54 HydrophobicContact CB-CD2 4.37Å; R44-G157 WeakPolarHBondContact CB-O 3.44Å; R44-I159 HydrophobicContact CB-CD1 4.16Å; R44-I159 HydrophobicContact CG-CD1 3.78Å
45	R	86.1	Confident	75.9	Confident	45 Å²	45	82 Å²	82	17%	0.17	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	146.8	172.3	-58.2	178.2	-160.4	154.3	8.9	109.7	K40 V52 T53	K40-R45 HydrophobicContact CB-CG 4.13Å; K40-R45 HydrophobicContact CG-CG 3.97Å; R45-V52 CarbonylContact O-C 3.5Å; R45-V52 WeakPolarHBondContact O-CA 3.46Å; R45-T53 PolarHBondContact N-O 2.92Å; R45-T53 PolarHBondContact O-N 3.33Å
46	V	83.1	Confident	78.1	Confident	39 Å²	39	84 Å²	84	24%	0.236	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.4	165.7	-172.7	0	0	0	0	106.3	K39 V52	K39-V46 PolarHBondContact O-N 2.94Å; V46-V52 HydrophobicContact CG2-CG2 4.4Å
47	T	83.1	Confident	80.2	Confident	31 Å²	31	76 Å²	76	19%	0.19	38%	0.378	C	S	.	.			trans	-68.8	166.5	174.6	57.9	0	0	0	0	110.2	E49 G50 T51 T53	T47-E49 PolarHBondContact O-N 2.79Å; T47-G50 PolarHBondContact O-N 2.96Å; T47-T51 PolarHBondContact N-O 3.4Å; T47-T51 WeakPolarHBondContact OG1-CA 3.47Å; T47-T51 VanDerWaalsContact OG1-CB 3.31Å; T47-T51 WeakPolarHBondContact OG1-CB 3.31Å; T47-T51 PolarHBondContact OG1-N 2.9Å; T47-T51 VanDerWaalsContact OG1-N 3.09Å; T47-T51 PolarHBondContact OG1-O 2.98Å; T47-T53 HydrophobicContact CG2-CG2 4.27Å
48	E	78.8	Confident	82	Confident	149 Å²	149	69.7 Å²	69.7	70%	0.696	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	-28.4	177.6	-64.3	-175.6	-175.3	0	0	112.8	G50	E48-G50 PolarHBondContact O-N 2.81Å
49	E	82.5	Confident	83.6	Confident	173 Å²	173	65.3 Å²	65.3	81%	0.808	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-4.1	176.5	-63.3	153	-167.4	0	0	113.2	T47 T51	T47-E49 PolarHBondContact O-N 2.79Å; E49-T51 VanDerWaalsContact C-N 3.3Å; E49-T51 PolarHBondContact O-N 2.65Å
50	G	81.8	Confident	84.6	Confident	48 Å²	48	60.8 Å²	60.8	50%	0.495	33%	0.325	S	S	.	.	S	Bend	trans	85.1	-5.4	-176.1	0	0	0	0	0	114.6	T47 E48 V52	T47-G50 PolarHBondContact O-N 2.96Å; E48-G50 PolarHBondContact O-N 2.81Å; G50-V52 PolarHBondContact O-N 2.9Å
51	T	83.9	Confident	85.3	Confident	58 Å²	58	55.6 Å²	55.6	36%	0.356	30%	0.303	S	S	.	.			trans	-64.7	124.1	175.9	-57.5	0	0	0	0	110.3	T47 E49 T53 P58	T47-T51 PolarHBondContact N-O 3.4Å; T47-T51 WeakPolarHBondContact OG1-CA 3.47Å; T47-T51 VanDerWaalsContact OG1-CB 3.31Å; T47-T51 WeakPolarHBondContact OG1-CB 3.31Å; T47-T51 PolarHBondContact OG1-N 2.9Å; T47-T51 VanDerWaalsContact OG1-N 3.09Å; T47-T51 PolarHBondContact OG1-O 2.98Å; E49-T51 VanDerWaalsContact C-N 3.3Å; E49-T51 PolarHBondContact O-N 2.65Å; T51-T53 HydrophobicContact CG2-CG2 4.39Å; T51-P58 HydrophobicContact CG2-CB 4.47Å
52	V	86	Confident	86.4	Confident	22 Å²	22	52.5 Å²	52.5	13%	0.133	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	132	173.4	-170.3	0	0	0	0	109.2	R44 R45 V46 G50 T59 E149 I159	R44-V52 HydrophobicContact CG-CG1 3.91Å; R45-V52 CarbonylContact O-C 3.5Å; R45-V52 WeakPolarHBondContact O-CA 3.46Å; V46-V52 HydrophobicContact CG2-CG2 4.4Å; G50-V52 PolarHBondContact O-N 2.9Å; V52-T59 HydrophobicContact CB-CG2 4.04Å; V52-T59 HydrophobicContact CG1-CG2 3.82Å; V52-T59 PolarHBondContact O-N 2.86Å; V52-T59 PolarHBondContact O-OG1 3.45Å; V52-E149 WeakPolarHBondContact CG1-OE1 3.31Å; V52-I159 HydrophobicContact CG1-CD1 4.27Å
53	T	88.9	Confident	87.2	Confident	15 Å²	15	52.2 Å²	52.2	9%	0.092	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.9	173.8	70.4	0	0	0	0	110.9	R44 R45 T47 T51 K57	R44-T53 CarbonylContact C-O 3.56Å; R44-T53 VanDerWaalsContact CA-O 3.31Å; R44-T53 WeakPolarHBondContact CA-O 3.13Å; R45-T53 PolarHBondContact N-O 2.92Å; R45-T53 PolarHBondContact O-N 3.33Å; T47-T53 HydrophobicContact CG2-CG2 4.27Å; T51-T53 HydrophobicContact CG2-CG2 4.39Å; T53-K57 CarbonylContact C-O 3.58Å; T53-K57 WeakPolarHBondContact CA-O 3.47Å; T53-K57 WeakPolarHBondContact CB-O 3.47Å
54	Y	88.1	Confident	87.9	Confident	4 Å²	4	48.6 Å²	48.6	2%	0.016	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.3	170.8	-171.6	-102.9	0	0	0	109.6	H43 R44 K56 K57 G157 I159 T172 I216	H43-Y54 HydrophobicContact CB-CD2 3.83Å; H43-Y54 HydrophobicContact CB-CE1 4.43Å; H43-Y54 HydrophobicContact CB-CE2 3.42Å; H43-Y54 VanDerWaalsContact CB-CE2 3.42Å; H43-Y54 HydrophobicContact CB-CG 4.49Å; R44-Y54 HydrophobicContact CB-CD2 4.37Å; Y54-K56 PolarHBondContact O-N 2.81Å; Y54-K57 PolarHBondContact N-O 3.43Å; Y54-K57 PolarHBondContact O-N 3.33Å; Y54-G157 WeakPolarHBondContact CE2-O 3.47Å; Y54-I159 HydrophobicContact CD2-CD1 4.19Å; Y54-I159 HydrophobicContact CD2-CG1 3.59Å; Y54-I159 HydrophobicContact CE2-CG1 4.35Å; Y54-I159 HydrophobicContact CG-CG1 3.79Å; Y54-T172 HydrophobicContact CD1-CG2 4.28Å; Y54-T172 HydrophobicContact CE1-CG2 4.06Å; Y54-I216 HydrophobicContact CD1-CD1 4.04Å; Y54-I216 HydrophobicContact CD1-CG1 3.94Å; Y54-I216 HydrophobicContact CD1-CG2 3.84Å; Y54-I216 HydrophobicContact CE1-CG1 4.21Å; Y54-I216 HydrophobicContact CE1-CG2 3.89Å
55	K	88.8	Confident	88.5	Confident	41 Å²	41	47.2 Å²	47.2	18%	0.178	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	36.4	-170.3	-61.3	-168.7	-179.7	-178.1	0	113.5	H43 K57 N215 I216	H43-K55 HydrophobicContact CB-CG 3.84Å; H43-K55 WeakPolarHBondContact CD2-CE 3.48Å; H43-K55 PolarHBondContact O-N 3.23Å; K55-K57 VanDerWaalsContact C-N 3.27Å; K55-K57 PolarHBondContact O-N 3.38Å; K55-N215 PolarHBondContact NZ-O 3.44Å; K55-I216 HydrophobicContact CB-CD1 4.31Å; K55-I216 HydrophobicContact CB-CG1 4.33Å; K55-I216 HydrophobicContact CD-CG1 3.93Å; K55-I216 HydrophobicContact CG-CG1 4.35Å
56	K	87.2	Confident	89	Confident	137 Å²	137	45.4 Å²	45.4	60%	0.596	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.8	14.1	-176	-58.2	-178.5	175	-168.9	0	115	Y54	Y54-K56 PolarHBondContact O-N 2.81Å
57	K	90.7	Very high	89.7	Confident	33 Å²	33	45.2 Å²	45.2	14%	0.143	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	131	171.5	-71	-65	-165.1	161.5	0	109.7	T53 Y54 K55 T59 E61 L62 S112 Y209 S211 I216	T53-K57 CarbonylContact C-O 3.58Å; T53-K57 WeakPolarHBondContact CA-O 3.47Å; T53-K57 WeakPolarHBondContact CB-O 3.47Å; Y54-K57 PolarHBondContact N-O 3.43Å; Y54-K57 PolarHBondContact O-N 3.33Å; K55-K57 VanDerWaalsContact C-N 3.27Å; K55-K57 PolarHBondContact O-N 3.38Å; K57-T59 PolarHBondContact O-N 3.37Å; K57-E61 IonicContact NZ-OE1 3.47Å; K57-E61 IonicContact NZ-OE2 3.64Å; K57-L62 HydrophobicContact CB-CD1 4.43Å; K57-L62 HydrophobicContact CB-CD2 4.18Å; K57-L62 HydrophobicContact CB-CG 4.3Å; K57-S112 PolarHBondContact NZ-OG 3.04Å; K57-Y209 HydrophobicContact CG-CE1 4.3Å; K57-S211 PolarHBondContact NZ-OG 3.32Å; K57-I216 HydrophobicContact CB-CD1 4.18Å; K57-I216 HydrophobicContact CG-CD1 4.29Å
58	P	92.1	Very high	90.3	Very high	43 Å²	43	44.6 Å²	44.6	28%	0.279	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	136.9	174.2	-24.6	34.4	0	0	0	111	T51 S60 E61 L62	T51-P58 HydrophobicContact CG2-CB 4.47Å; P58-S60 VanDerWaalsContact C-N 3.25Å; P58-S60 PolarHBondContact O-N 3.18Å; P58-E61 HydrophobicContact CB-CB 4.29Å; P58-E61 WeakPolarHBondContact O-CB 3.46Å; P58-E61 PolarHBondContact O-N 3.25Å; P58-L62 PolarHBondContact O-N 3.23Å
59	T	91.5	Very high	91.2	Very high	12 Å²	12	37.5 Å²	37.5	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-65.7	-31.2	179.5	52.2	0	0	0	0	112	V52 K57 E61 L62 Q63 E149 I159 Y161	V52-T59 HydrophobicContact CB-CG2 4.04Å; V52-T59 HydrophobicContact CG1-CG2 3.82Å; V52-T59 PolarHBondContact O-N 2.86Å; V52-T59 PolarHBondContact O-OG1 3.45Å; K57-T59 PolarHBondContact O-N 3.37Å; T59-E61 PolarHBondContact O-N 3.44Å; T59-L62 WeakPolarHBondContact O-CB 3.12Å; T59-L62 PolarHBondContact O-N 3.36Å; T59-L62 VanDerWaalsContact O-N 3.13Å; T59-Q63 WeakPolarHBondContact O-CG 3.49Å; T59-Q63 PolarHBondContact O-N 3.02Å; T59-E149 WeakPolarHBondContact CB-OE2 3.47Å; T59-E149 WeakPolarHBondContact CG2-OE2 3.35Å; T59-E149 PolarHBondContact OG1-OE2 2.81Å; T59-I159 HydrophobicContact CG2-CD1 4.14Å; T59-I159 HydrophobicContact CG2-CG1 4.29Å; T59-Y161 WeakPolarHBondContact CB-OH 3.37Å; T59-Y161 PolarHBondContact O-OH 3.27Å
60	S	90.7	Very high	91.9	Very high	72 Å²	72	29.3 Å²	29.3	50%	0.503	17%	0.167	S	C	.	.	H	α-helix	trans	-58.6	-43.1	171.6	54.6	0	0	0	0	113.3	P58 L62 Q63 G64	P58-S60 VanDerWaalsContact C-N 3.25Å; P58-S60 PolarHBondContact O-N 3.18Å; S60-L62 VanDerWaalsContact C-N 3.32Å; S60-L62 PolarHBondContact O-N 2.92Å; S60-Q63 PolarHBondContact O-N 3.24Å; S60-G64 PolarHBondContact O-N 3.26Å; S60-G64 VanDerWaalsContact O-N 3.15Å
61	E	94.1	Very high	92.7	Very high	23 Å²	23	31.5 Å²	31.5	11%	0.107	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-42.8	174.1	-171.1	-171.7	163.7	0	0	110.8	K57 P58 T59 A65 Y111 S112 Y209	K57-E61 IonicContact NZ-OE1 3.47Å; K57-E61 IonicContact NZ-OE2 3.64Å; P58-E61 HydrophobicContact CB-CB 4.29Å; P58-E61 WeakPolarHBondContact O-CB 3.46Å; P58-E61 PolarHBondContact O-N 3.25Å; T59-E61 PolarHBondContact O-N 3.44Å; E61-A65 VanDerWaalsContact O-CB 3.3Å; E61-A65 WeakPolarHBondContact O-CB 3.46Å; E61-A65 PolarHBondContact O-N 3.04Å; E61-Y111 HydrophobicContact CB-CD1 4.25Å; E61-Y111 HydrophobicContact CG-CD1 3.78Å; E61-Y111 HydrophobicContact CG-CG 3.98Å; E61-S112 WeakPolarHBondContact OE1-CB 3.42Å; E61-S112 PolarHBondContact OE1-N 3.21Å; E61-S112 PolarHBondContact OE1-OG 3.42Å; E61-Y209 PolarHBondContact OE1-OH 3.41Å
62	L	94.6	Very high	93.3	Very high	4 Å²	4	30.9 Å²	30.9	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-64.3	-44.4	178.6	-63	174.1	0	0	0	111.6	K57 P58 T59 S60 A65 I66 Y209 I216	K57-L62 HydrophobicContact CB-CD1 4.43Å; K57-L62 HydrophobicContact CB-CD2 4.18Å; K57-L62 HydrophobicContact CB-CG 4.3Å; P58-L62 PolarHBondContact O-N 3.23Å; T59-L62 WeakPolarHBondContact O-CB 3.12Å; T59-L62 PolarHBondContact O-N 3.36Å; T59-L62 VanDerWaalsContact O-N 3.13Å; S60-L62 VanDerWaalsContact C-N 3.32Å; S60-L62 PolarHBondContact O-N 2.92Å; L62-A65 PolarHBondContact O-N 3.24Å; L62-I66 WeakPolarHBondContact O-CB 3.28Å; L62-I66 VanDerWaalsContact O-CD1 3.29Å; L62-I66 WeakPolarHBondContact O-CD1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 3.02Å; L62-Y209 HydrophobicContact CD2-CD1 3.56Å; L62-Y209 HydrophobicContact CD2-CD2 4.42Å; L62-Y209 HydrophobicContact CD2-CE1 3.67Å; L62-Y209 HydrophobicContact CD2-CE2 4.49Å; L62-Y209 HydrophobicContact CD2-CG 3.96Å; L62-I216 HydrophobicContact CD1-CD1 3.85Å; L62-I216 HydrophobicContact CD2-CD1 3.51Å; L62-I216 HydrophobicContact CG-CD1 4.32Å
63	Q	94.5	Very high	93.9	Very high	38 Å²	38	30 Å²	30	18%	0.178	15%	0.152	C	C	.	.	H	α-helix	trans	-55.5	-54	176.8	-73.3	177.4	-27.7	0	0	110.8	T59 S60 A65 I66 Q67 L147 Y161	T59-Q63 WeakPolarHBondContact O-CG 3.49Å; T59-Q63 PolarHBondContact O-N 3.02Å; S60-Q63 PolarHBondContact O-N 3.24Å; Q63-A65 PolarHBondContact O-N 3.27Å; Q63-I66 WeakPolarHBondContact O-CB 3.49Å; Q63-I66 PolarHBondContact O-N 3.41Å; Q63-Q67 WeakPolarHBondContact O-CG 3.29Å; Q63-Q67 PolarHBondContact O-N 2.91Å; Q63-Q67 VanDerWaalsContact O-N 3.1Å; Q63-L147 HydrophobicContact CG-CB 4.42Å; Q63-L147 PolarHBondContact NE2-O 3.13Å; Q63-Y161 HydrophobicContact CG-CD1 3.82Å; Q63-Y161 HydrophobicContact CG-CE1 3.36Å; Q63-Y161 HydrophobicContact CG-CE2 4.21Å; Q63-Y161 HydrophobicContact CG-CG 4.42Å
64	G	95.3	Very high	94.3	Very high	4 Å²	4	29.3 Å²	29.3	4%	0.041	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-44.9	178.9	0	0	0	0	0	113.2	S60 I66 Q67 L68 Y111	S60-G64 PolarHBondContact O-N 3.26Å; S60-G64 VanDerWaalsContact O-N 3.15Å; G64-I66 VanDerWaalsContact C-N 3.32Å; G64-I66 PolarHBondContact O-N 2.97Å; G64-Q67 PolarHBondContact O-N 3.06Å; G64-L68 VanDerWaalsContact O-CG 3.3Å; G64-L68 WeakPolarHBondContact O-CG 3.44Å; G64-L68 PolarHBondContact O-N 3.38Å; G64-Y111 WeakPolarHBondContact CA-OH 3.35Å
65	A	96.2	Very high	94.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.4	-34.4	178	0	0	0	0	0	113.1	E61 L62 Q63 G69 F114 Y209	E61-A65 VanDerWaalsContact O-CB 3.3Å; E61-A65 WeakPolarHBondContact O-CB 3.46Å; E61-A65 PolarHBondContact O-N 3.04Å; L62-A65 PolarHBondContact O-N 3.24Å; Q63-A65 PolarHBondContact O-N 3.27Å; A65-G69 PolarHBondContact O-N 3.16Å; A65-F114 HydrophobicContact CB-CD1 4.3Å; A65-F114 HydrophobicContact CB-CD2 4.28Å; A65-F114 HydrophobicContact CB-CE1 3.92Å; A65-F114 HydrophobicContact CB-CE2 3.9Å; A65-F114 HydrophobicContact CB-CG 4.47Å; A65-F114 HydrophobicContact CB-CZ 3.71Å; A65-Y209 HydrophobicContact CB-CD2 3.6Å; A65-Y209 HydrophobicContact CB-CE2 3.63Å
66	I	96.9	Very high	94.9	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.036	17%	0.168	C	C	.	.	H	α-helix	trans	-62.6	-48.2	174.3	-71.8	162.7	0	0	0	110.3	L62 Q63 G64 G69 I70 Y161 I170 F218	L62-I66 WeakPolarHBondContact O-CB 3.28Å; L62-I66 VanDerWaalsContact O-CD1 3.29Å; L62-I66 WeakPolarHBondContact O-CD1 3.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.49Å; L62-I66 PolarHBondContact O-N 3.02Å; Q63-I66 WeakPolarHBondContact O-CB 3.49Å; Q63-I66 PolarHBondContact O-N 3.41Å; G64-I66 VanDerWaalsContact C-N 3.32Å; G64-I66 PolarHBondContact O-N 2.97Å; I66-G69 PolarHBondContact O-N 3.5Å; I66-I70 HydrophobicContact CG2-CD1 3.7Å; I66-I70 HydrophobicContact CG2-CG1 4.38Å; I66-I70 WeakPolarHBondContact O-CB 3.42Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 2.89Å; I66-Y161 HydrophobicContact CD1-CD2 4.17Å; I66-Y161 HydrophobicContact CD1-CE2 3.79Å; I66-I170 HydrophobicContact CD1-CG2 4.48Å; I66-I170 HydrophobicContact CG2-CD1 3.95Å; I66-F218 HydrophobicContact CB-CE2 4.42Å; I66-F218 HydrophobicContact CB-CZ 4.27Å; I66-F218 HydrophobicContact CD1-CD1 4.46Å; I66-F218 HydrophobicContact CD1-CE1 4.41Å; I66-F218 HydrophobicContact CD1-CE2 4.45Å; I66-F218 HydrophobicContact CD1-CZ 4.4Å; I66-F218 HydrophobicContact CG1-CD1 4.33Å; I66-F218 HydrophobicContact CG1-CD2 4.45Å; I66-F218 HydrophobicContact CG1-CE1 3.79Å; I66-F218 HydrophobicContact CG1-CE2 3.9Å; I66-F218 HydrophobicContact CG1-CZ 3.55Å; I66-F218 HydrophobicContact CG2-CE2 3.83Å; I66-F218 HydrophobicContact CG2-CZ 4.14Å
67	Q	97.1	Very high	95.3	Very high	36 Å²	36	24.3 Å²	24.3	17%	0.168	14%	0.14	C	C	.	.	H	α-helix	trans	-62.6	-47.8	-178.7	-65.7	-178.2	-60.4	0	0	111.6	Q63 G64 G69 I70 Q71 L142 C143 Q145 L147	Q63-Q67 WeakPolarHBondContact O-CG 3.29Å; Q63-Q67 PolarHBondContact O-N 2.91Å; Q63-Q67 VanDerWaalsContact O-N 3.1Å; G64-Q67 PolarHBondContact O-N 3.06Å; Q67-G69 PolarHBondContact O-N 3.49Å; Q67-I70 PolarHBondContact O-N 3.4Å; Q67-Q71 VanDerWaalsContact O-CB 3.26Å; Q67-Q71 WeakPolarHBondContact O-CB 3.32Å; Q67-Q71 PolarHBondContact O-N 2.83Å; Q67-L142 WeakPolarHBondContact CG-O 3.11Å; Q67-L142 PolarHBondContact NE2-O 2.79Å; Q67-C143 HydrophobicContact CB-CB 4.48Å; Q67-C143 PolarHBondContact O-SG 3.48Å; Q67-Q145 PolarHBondContact NE2-O 2.55Å; Q67-L147 HydrophobicContact CG-CD1 4.19Å
68	L	97.1	Very high	95.4	Very high	18 Å²	18	27.6 Å²	27.6	9%	0.094	16%	0.156	C	C	.	.	H	α-helix	trans	-57.6	-47.6	175.6	-66.6	177.3	0	0	0	112.2	G64 H72 F98 Q107 H109 Y111 F114	G64-L68 VanDerWaalsContact O-CG 3.3Å; G64-L68 WeakPolarHBondContact O-CG 3.44Å; G64-L68 PolarHBondContact O-N 3.38Å; L68-H72 WeakPolarHBondContact O-CB 3.34Å; L68-H72 PolarHBondContact O-N 3.49Å; L68-F98 HydrophobicContact CB-CE1 4.21Å; L68-Q107 VanDerWaalsContact CD2-CD 3.47Å; L68-Q107 HydrophobicContact CD2-CG 3.86Å; L68-H109 HydrophobicContact CD1-CB 3.76Å; L68-Y111 HydrophobicContact CD1-CD2 4.01Å; L68-Y111 HydrophobicContact CD1-CE2 3.94Å; L68-F114 HydrophobicContact CB-CZ 4.46Å; L68-F114 HydrophobicContact CD1-CZ 4.44Å
69	G	97.7	Very high	95.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-65.8	-43.2	-178	0	0	0	0	0	113.1	A65 I66 Q67 H73 F116	A65-G69 PolarHBondContact O-N 3.16Å; I66-G69 PolarHBondContact O-N 3.5Å; Q67-G69 PolarHBondContact O-N 3.49Å; G69-H73 WeakPolarHBondContact O-CB 3.32Å; G69-H73 PolarHBondContact O-N 3.34Å; G69-F116 VanDerWaalsContact C-CE1 3.46Å
70	I	97.9	Very high	95.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-46.6	176.7	-68.7	176.2	0	0	0	110.3	I66 Q67 H72 H73 I74 F116 F138 L139 L142 Y207 V220	I66-I70 HydrophobicContact CG2-CD1 3.7Å; I66-I70 HydrophobicContact CG2-CG1 4.38Å; I66-I70 WeakPolarHBondContact O-CB 3.42Å; I66-I70 WeakPolarHBondContact O-CG1 3.38Å; I66-I70 PolarHBondContact O-N 2.89Å; Q67-I70 PolarHBondContact O-N 3.4Å; I70-H72 PolarHBondContact O-N 2.94Å; I70-H73 PolarHBondContact O-N 3.25Å; I70-I74 HydrophobicContact CG2-CG1 3.93Å; I70-I74 WeakPolarHBondContact O-CB 3.31Å; I70-I74 WeakPolarHBondContact O-CG1 3.44Å; I70-I74 PolarHBondContact O-N 2.78Å; I70-F116 HydrophobicContact CG1-CZ 4.23Å; I70-F138 HydrophobicContact CG2-CE1 4.42Å; I70-L139 HydrophobicContact CG2-CD2 4.28Å; I70-L142 HydrophobicContact CD1-CD1 4.3Å; I70-Y207 HydrophobicContact CD1-CE2 4.14Å; I70-Y207 HydrophobicContact CG1-CD2 4.44Å; I70-Y207 HydrophobicContact CG1-CE2 4.06Å; I70-V220 HydrophobicContact CD1-CG2 3.97Å
71	Q	97.1	Very high	95.7	Very high	93 Å²	93	40 Å²	40	44%	0.435	21%	0.21	S	C	.	.	H	α-helix	trans	-58.4	-48.8	-179.8	-171.8	174.7	12.6	0	0	111.8	Q67 G75 C143	Q67-Q71 VanDerWaalsContact O-CB 3.26Å; Q67-Q71 WeakPolarHBondContact O-CB 3.32Å; Q67-Q71 PolarHBondContact O-N 2.83Å; Q71-G75 PolarHBondContact O-N 3.36Å; Q71-C143 HydrophobicContact CB-CB 4.34Å
72	H	97.2	Very high	95.6	Very high	46 Å²	46	44.1 Å²	44.1	21%	0.213	23%	0.232	C	C	.	.	H	α-helix	trans	-62.6	-46.6	176.2	177	-78	0	0	0	112.4	L68 I70 S76 F98 T105	L68-H72 WeakPolarHBondContact O-CB 3.34Å; L68-H72 PolarHBondContact O-N 3.49Å; I70-H72 PolarHBondContact O-N 2.94Å; H72-S76 WeakPolarHBondContact O-CB 3.36Å; H72-S76 PolarHBondContact O-N 2.79Å; H72-S76 PolarHBondContact O-OG 3.15Å; H72-F98 HydrophobicContact CB-CE1 4.31Å; H72-F98 HydrophobicContact CB-CZ 3.78Å; H72-F98 AromaticContact CG-CZ 3.98Å; H72-T105 PolarHBondContact CD2-O 3.02Å; H72-T105 VanDerWaalsContact CD2-O 3.27Å
73	H	97.7	Very high	95.6	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.019	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-52.7	179.5	164.8	-135	0	0	0	111.5	G69 I70 S76 L77 I118 Y207	G69-H73 WeakPolarHBondContact O-CB 3.32Å; G69-H73 PolarHBondContact O-N 3.34Å; I70-H73 PolarHBondContact O-N 3.25Å; H73-S76 PolarHBondContact O-N 3.49Å; H73-S76 PolarHBondContact O-OG 2.86Å; H73-L77 VanDerWaalsContact O-CB 3.26Å; H73-L77 WeakPolarHBondContact O-CB 3.49Å; H73-L77 PolarHBondContact O-N 2.8Å; H73-I118 HydrophobicContact CB-CD1 3.64Å; H73-I118 HydrophobicContact CB-CG1 4.11Å; H73-I118 WeakPolarHBondContact NE2-CG2 3.44Å; H73-Y207 AromaticContact CE1-CE1 3.91Å; H73-Y207 AromaticContact ND1-CE1 3.43Å; H73-Y207 WeakPolarHBondContact ND1-CE1 3.34Å; H73-Y207 AromaticContact ND1-CZ 3.87Å; H73-Y207 PolarHBondContact ND1-OH 2.85Å
74	I	97.1	Very high	95.5	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-67.4	-42.3	-175.2	-59.2	-67.1	0	0	0	109.9	I70 L77 Q78 I135 F138 L139	I70-I74 HydrophobicContact CG2-CG1 3.93Å; I70-I74 WeakPolarHBondContact O-CB 3.31Å; I70-I74 WeakPolarHBondContact O-CG1 3.44Å; I70-I74 PolarHBondContact O-N 2.78Å; I74-L77 PolarHBondContact O-N 3.16Å; I74-Q78 WeakPolarHBondContact O-CG 3.44Å; I74-Q78 PolarHBondContact O-N 3.29Å; I74-I135 HydrophobicContact CG2-CG2 3.42Å; I74-I135 VanDerWaalsContact CG2-CG2 3.42Å; I74-F138 HydrophobicContact CD1-CE1 4.19Å; I74-F138 HydrophobicContact CG1-CE1 4.38Å; I74-L139 HydrophobicContact CB-CD1 4.34Å; I74-L139 HydrophobicContact CB-CD2 3.93Å; I74-L139 HydrophobicContact CB-CG 4.42Å; I74-L139 HydrophobicContact CG1-CD2 4.13Å; I74-L139 HydrophobicContact CG2-CD1 3.85Å; I74-L139 HydrophobicContact CG2-CD2 4.1Å; I74-L139 HydrophobicContact CG2-CG 4.04Å
75	G	95.2	Very high	95.5	Very high	31 Å²	31	56 Å²	56	32%	0.32	29%	0.287	S	S	.	.	H	α-helix	trans	-57.9	-50.5	175.9	0	0	0	0	0	112.8	Q71 L77 Q78	Q71-G75 PolarHBondContact O-N 3.36Å; G75-L77 VanDerWaalsContact C-N 3.32Å; G75-L77 PolarHBondContact O-N 3.06Å; G75-Q78 PolarHBondContact O-N 2.81Å
76	S	95	Very high	95.5	Very high	41 Å²	41	61.1 Å²	61.1	29%	0.287	31%	0.314	S	S	.	.	H	α-helix	trans	-65.1	-32.8	177.3	59.5	0	0	0	0	113.2	H72 H73 Q79	H72-S76 WeakPolarHBondContact O-CB 3.36Å; H72-S76 PolarHBondContact O-N 2.79Å; H72-S76 PolarHBondContact O-OG 3.15Å; H73-S76 PolarHBondContact O-N 3.49Å; H73-S76 PolarHBondContact O-OG 2.86Å; S76-Q79 PolarHBondContact O-N 3.46Å
77	L	95.1	Very high	95.4	Very high	5 Å²	5	69.2 Å²	69.2	3%	0.026	35%	0.345	C	S	.	.	H	α-helix	trans	-73.4	-29.9	178.1	-172.7	63.5	0	0	0	112.9	H73 I74 G75 Q79 K80 R125	H73-L77 VanDerWaalsContact O-CB 3.26Å; H73-L77 WeakPolarHBondContact O-CB 3.49Å; H73-L77 PolarHBondContact O-N 2.8Å; I74-L77 PolarHBondContact O-N 3.16Å; G75-L77 VanDerWaalsContact C-N 3.32Å; G75-L77 PolarHBondContact O-N 3.06Å; L77-Q79 PolarHBondContact O-N 2.63Å; L77-K80 HydrophobicContact CD1-CD 4.22Å; L77-K80 PolarHBondContact O-N 2.66Å; L77-R125 HydrophobicContact CD2-CB 3.89Å; L77-R125 HydrophobicContact CD2-CG 4.38Å
78	Q	93.4	Very high	95.3	Very high	102 Å²	102	69.6 Å²	69.6	48%	0.477	36%	0.359	S	S	.	.	H	α-helix	trans	-67.9	-23.4	174.7	-69.5	-45.4	-73.8	0	0	112.8	I74 G75 K80 I135	I74-Q78 WeakPolarHBondContact O-CG 3.44Å; I74-Q78 PolarHBondContact O-N 3.29Å; G75-Q78 PolarHBondContact O-N 2.81Å; Q78-K80 VanDerWaalsContact C-N 3.28Å; Q78-I135 HydrophobicContact CG-CG2 4.39Å
79	Q	93.2	Very high	95.3	Very high	170 Å²	170	69 Å²	69	79%	0.794	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-17.1	175.8	-62.4	173.4	4.3	0	0	112.8	S76 L77	S76-Q79 PolarHBondContact O-N 3.46Å; L77-Q79 PolarHBondContact O-N 2.63Å
80	K	93.6	Very high	95.3	Very high	107 Å²	107	69.7 Å²	69.7	47%	0.465	36%	0.359	S	S	.	.	S	Bend	trans	-86.6	136.6	179.1	-64.2	-178.4	-177.5	176.4	0	109.9	L77 Q78 R125	L77-K80 HydrophobicContact CD1-CD 4.22Å; L77-K80 PolarHBondContact O-N 2.66Å; Q78-K80 VanDerWaalsContact C-N 3.28Å; K80-R125 PolarHBondContact O-NH1 2.73Å
81	P	94.2	Very high	95.2	Very high	110 Å²	110	73.7 Å²	73.7	71%	0.714	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-59.1	154.7	178.9	25.4	-34.2	0	0	0	111.9	R125	P81-R125 PolarHBondContact O-NH1 3.46Å; P81-R125 PolarHBondContact O-NH2 3.44Å
82	D	91.4	Very high	95.2	Very high	109 Å²	109	72.2 Å²	72.2	58%	0.583	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-71.8	138.5	170.6	-77.3	-31.7	0	0	0	110.5	R125 K129	D82-R125 IonicContact OD1-CZ 2.88Å; D82-R125 IonicContact OD1-NE 3.61Å; D82-R125 IonicContact OD1-NH1 3.77Å; D82-R125 IonicContact OD1-NH2 2.65Å; D82-K129 IonicContact OD1-NZ 2.59Å; D82-K129 PolarHBondContact OD1-NZ 2.7Å; D82-K129 IonicContact OD2-NZ 3.9Å; D82-K129 PolarHBondContact OD2-NZ 3.36Å
83	R	94.6	Very high	95.2	Very high	120 Å²	120	72.6 Å²	72.6	45%	0.453	39%	0.385	S	S	.	.			trans	-151	163	175.5	67.9	165.9	-179.2	82.5	-6.1	110	D89	R83-D89 IonicContact CZ-OD1 3.55Å; R83-D89 IonicContact CZ-OD2 3.57Å; R83-D89 IonicContact NH1-OD1 2.72Å; R83-D89 IonicContact NH1-OD2 3.81Å; R83-D89 PolarHBondContact NH1-OD2 3.07Å; R83-D89 IonicContact NH2-OD1 3.69Å; R83-D89 PolarHBondContact NH2-OD1 2.7Å; R83-D89 IonicContact NH2-OD2 3.44Å; R83-D89 PolarHBondContact NH2-OD2 2.92Å
84	D	93.3	Very high	95.2	Very high	141 Å²	141	75 Å²	75	75%	0.754	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-62.7	150.1	176.3	-65.9	-28	0	0	0	112.4
85	L	95.1	Very high	95.3	Very high	35 Å²	35	78.3 Å²	78.3	18%	0.183	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-81.7	118.8	178.5	-175.6	63.5	0	0	0	109.7	D89 F90 V122 A123 C126 F189	L85-D89 HydrophobicContact CD1-CB 3.63Å; L85-F90 HydrophobicContact CD2-CE1 3.84Å; L85-F90 HydrophobicContact CD2-CE2 4.35Å; L85-F90 HydrophobicContact CD2-CZ 3.5Å; L85-F90 HydrophobicContact CG-CE2 4.47Å; L85-F90 HydrophobicContact CG-CZ 4.06Å; L85-V122 HydrophobicContact CD1-CB 4.37Å; L85-V122 HydrophobicContact CD1-CG1 4.03Å; L85-A123 HydrophobicContact CD1-CB 3.88Å; L85-A123 HydrophobicContact CD2-CB 4.29Å; L85-C126 HydrophobicContact CD2-CB 4.24Å; L85-F189 HydrophobicContact CD2-CD1 4.47Å; L85-F189 HydrophobicContact CD2-CD2 3.76Å; L85-F189 HydrophobicContact CD2-CE1 4.48Å; L85-F189 HydrophobicContact CD2-CE2 3.79Å; L85-F189 HydrophobicContact CD2-CG 4.12Å; L85-F189 HydrophobicContact CD2-CZ 4.15Å
86	L	96	Very high	95.4	Very high	108 Å²	108	78 Å²	78	57%	0.565	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-99.5	154.3	177.8	-57.1	179.9	0	0	0	110.2	G88 D89	L86-G88 PolarHBondContact O-N 3.44Å; L86-G88 VanDerWaalsContact O-N 3.15Å; L86-D89 PolarHBondContact N-OD2 2.7Å; L86-D89 VanDerWaalsContact O-CB 3.26Å; L86-D89 WeakPolarHBondContact O-CB 3.48Å; L86-D89 PolarHBondContact O-N 2.86Å
87	Y	93.8	Very high	95.5	Very high	176 Å²	176	80.6 Å²	80.6	69%	0.69	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-57.1	-33.9	179.6	-172	-96.8	0	0	0	113	D89 F90 P186	Y87-D89 PolarHBondContact O-N 2.84Å; Y87-F90 HydrophobicContact CD2-CD2 4.45Å; Y87-F90 WeakPolarHBondContact O-CD2 3.47Å; Y87-F90 PolarHBondContact O-N 2.65Å; Y87-P186 HydrophobicContact CD2-CB 4.39Å; Y87-P186 HydrophobicContact CE2-CB 3.91Å; Y87-P186 HydrophobicContact CE2-CG 3.98Å
88	G	95.5	Very high	95.7	Very high	45 Å²	45	80.6 Å²	80.6	46%	0.464	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-62.6	-27.1	175.7	0	0	0	0	0	114.1	L86 F90 S91	L86-G88 PolarHBondContact O-N 3.44Å; L86-G88 VanDerWaalsContact O-N 3.15Å; G88-F90 PolarHBondContact O-N 2.7Å; G88-S91 PolarHBondContact O-N 3.11Å; G88-S91 VanDerWaalsContact O-N 3.09Å
89	D	97.3	Very high	95.9	Very high	6 Å²	6	77.4 Å²	77.4	3%	0.032	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-65.6	-26	-175.9	-67.5	-40.1	0	0	0	113.2	R83 L85 L86 Y87 S91 I92 A120 V122	R83-D89 IonicContact CZ-OD1 3.55Å; R83-D89 IonicContact CZ-OD2 3.57Å; R83-D89 IonicContact NH1-OD1 2.72Å; R83-D89 IonicContact NH1-OD2 3.81Å; R83-D89 PolarHBondContact NH1-OD2 3.07Å; R83-D89 IonicContact NH2-OD1 3.69Å; R83-D89 PolarHBondContact NH2-OD1 2.7Å; R83-D89 IonicContact NH2-OD2 3.44Å; R83-D89 PolarHBondContact NH2-OD2 2.92Å; L85-D89 HydrophobicContact CD1-CB 3.63Å; L86-D89 PolarHBondContact N-OD2 2.7Å; L86-D89 VanDerWaalsContact O-CB 3.26Å; L86-D89 WeakPolarHBondContact O-CB 3.48Å; L86-D89 PolarHBondContact O-N 2.86Å; Y87-D89 PolarHBondContact O-N 2.84Å; D89-S91 PolarHBondContact O-N 2.97Å; D89-I92 PolarHBondContact O-N 3.44Å; D89-I92 WeakPolarHBondContact OD1-CD1 3.41Å; D89-A120 WeakPolarHBondContact O-CA 3.37Å; D89-V122 HydrophobicContact CB-CB 4.31Å
90	F	97.1	Very high	96	Very high	13 Å²	13	75.1 Å²	75.1	6%	0.057	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-67.1	-23.2	176.9	-62.7	-66.5	0	0	0	112.9	L85 Y87 G88 A123 F127 Q182 L185 P186 F189	L85-F90 HydrophobicContact CD2-CE1 3.84Å; L85-F90 HydrophobicContact CD2-CE2 4.35Å; L85-F90 HydrophobicContact CD2-CZ 3.5Å; L85-F90 HydrophobicContact CG-CE2 4.47Å; L85-F90 HydrophobicContact CG-CZ 4.06Å; Y87-F90 HydrophobicContact CD2-CD2 4.45Å; Y87-F90 WeakPolarHBondContact O-CD2 3.47Å; Y87-F90 PolarHBondContact O-N 2.65Å; G88-F90 PolarHBondContact O-N 2.7Å; F90-A123 HydrophobicContact CD1-CB 3.7Å; F90-A123 HydrophobicContact CE1-CB 3.71Å; F90-F127 HydrophobicContact CE1-CZ 4.36Å; F90-Q182 WeakPolarHBondContact O-CG 3.38Å; F90-Q182 PolarHBondContact O-NE2 2.99Å; F90-Q182 VanDerWaalsContact O-NE2 3.08Å; F90-L185 HydrophobicContact CD1-CB 3.44Å; F90-L185 VanDerWaalsContact CD1-CB 3.44Å; F90-L185 HydrophobicContact CD1-CD1 4.22Å; F90-L185 HydrophobicContact CD1-CG 4.48Å; F90-L185 HydrophobicContact CE1-CB 3.94Å; F90-L185 HydrophobicContact CG-CB 4.25Å; F90-P186 HydrophobicContact CB-CG 4.26Å; F90-P186 HydrophobicContact CD2-CB 4.06Å; F90-P186 HydrophobicContact CD2-CG 3.78Å; F90-P186 HydrophobicContact CE2-CB 4Å; F90-P186 HydrophobicContact CE2-CG 4.23Å; F90-P186 HydrophobicContact CG-CG 3.95Å; F90-P186 HydrophobicContact CZ-CB 4.44Å; F90-F189 HydrophobicContact CE1-CB 4.19Å; F90-F189 HydrophobicContact CZ-CB 3.92Å; F90-F189 HydrophobicContact CZ-CD1 4.3Å; F90-F189 HydrophobicContact CZ-CG 4.12Å
91	S	96.3	Very high	96.2	Very high	86 Å²	86	78.6 Å²	78.6	60%	0.601	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-94.6	-13	-178.5	-60.5	0	0	0	0	113.5	G88 D89 Q182	G88-S91 PolarHBondContact O-N 3.11Å; G88-S91 VanDerWaalsContact O-N 3.09Å; D89-S91 PolarHBondContact O-N 2.97Å; S91-Q182 PolarHBondContact O-NE2 3.36Å
92	I	97.3	Very high	96.2	Very high	61 Å²	61	74.2 Å²	74.2	31%	0.313	39%	0.385	S	S	.	.			trans	-65.7	137.3	-176.7	-63.7	178.5	0	0	0	110.6	D89 A120 P121	D89-I92 PolarHBondContact O-N 3.44Å; D89-I92 WeakPolarHBondContact OD1-CD1 3.41Å; I92-A120 PolarHBondContact O-N 3.26Å; I92-P121 HydrophobicContact CG2-CG 4.29Å
93	I	97.9	Very high	96.5	Very high	55 Å²	55	72.3 Å²	72.3	28%	0.282	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	106.9	171.8	-54.6	171.1	0	0	0	108.8	R117 I118 Y119	I93-R117 HydrophobicContact CG2-CB 3.97Å; I93-I118 CarbonylContact C-O 3.55Å; I93-I118 VanDerWaalsContact CA-O 3.29Å; I93-I118 WeakPolarHBondContact CA-O 3.33Å; I93-Y119 HydrophobicContact CD1-CD1 3.73Å; I93-Y119 HydrophobicContact CD1-CE1 3.46Å; I93-Y119 VanDerWaalsContact CD1-CE1 3.46Å; I93-Y119 HydrophobicContact CG1-CD1 3.72Å; I93-Y119 HydrophobicContact CG1-CE1 3.96Å; I93-Y119 HydrophobicContact CG1-CG 4.34Å; I93-Y119 HydrophobicContact CG2-CE1 4.45Å
94	D	97.5	Very high	96.5	Very high	55 Å²	55	77.1 Å²	77.1	29%	0.294	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	144.8	173.2	-70.3	-8.7	0	0	0	109.3	R117 I118	D94-R117 CarbonylContact O-C 3.56Å; D94-R117 VanDerWaalsContact O-CA 3.29Å; D94-R117 WeakPolarHBondContact O-CA 2.99Å; D94-I118 HydrophobicContact CB-CB 4.29Å; D94-I118 HydrophobicContact CB-CD1 4.39Å; D94-I118 PolarHBondContact N-O 3Å; D94-I118 PolarHBondContact O-N 3.04Å
95	T	97.9	Very high	96.5	Very high	68 Å²	68	75.3 Å²	75.3	42%	0.417	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	127.3	177.4	-57.5	0	0	0	0	110	R115 F116 R117	T95-R115 HydrophobicContact CG2-CB 4.09Å; T95-F116 WeakPolarHBondContact CA-O 3.37Å; T95-R117 HydrophobicContact CG2-CG 4.09Å
96	V	97.8	Very high	96.5	Very high	25 Å²	25	73.9 Å²	73.9	15%	0.152	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.3	178.5	-176.5	0	0	0	0	109.2	F98 T106 R115 F116 I118	V96-F98 HydrophobicContact CB-CD2 4.48Å; V96-F98 HydrophobicContact CB-CE2 3.85Å; V96-F98 HydrophobicContact CG1-CD2 4.13Å; V96-F98 HydrophobicContact CG1-CE2 3.53Å; V96-F98 HydrophobicContact CG1-CZ 4Å; V96-T106 HydrophobicContact CG1-CG2 3.74Å; V96-R115 CarbonylContact O-C 3.59Å; V96-R115 WeakPolarHBondContact O-CA 3.46Å; V96-F116 PolarHBondContact N-O 2.79Å; V96-F116 PolarHBondContact O-N 3.23Å; V96-I118 HydrophobicContact CG2-CD1 4.12Å
97	N	97.6	Very high	96.5	Very high	96 Å²	96	74.2 Å²	74.2	51%	0.513	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	133.7	178.1	-61.5	-32.2	0	0	0	110.7	P99 T106 R115	N97-P99 WeakPolarHBondContact O-CD 3.38Å; N97-T106 WeakPolarHBondContact O-CG2 3.3Å; N97-T106 PolarHBondContact O-OG1 3.02Å; N97-R115 WeakPolarHBondContact OD1-CD 3.45Å; N97-R115 WeakPolarHBondContact OD1-CG 3.48Å
98	F	98.1	Very high	96.6	Very high	4 Å²	4	68.8 Å²	68.8	2%	0.018	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	83.2	176.4	-71	-95.7	0	0	0	108.4	L68 H72 V96 T106 H109 F114 F116	L68-F98 HydrophobicContact CB-CE1 4.21Å; H72-F98 HydrophobicContact CB-CE1 4.31Å; H72-F98 HydrophobicContact CB-CZ 3.78Å; H72-F98 AromaticContact CG-CZ 3.98Å; V96-F98 HydrophobicContact CB-CD2 4.48Å; V96-F98 HydrophobicContact CB-CE2 3.85Å; V96-F98 HydrophobicContact CG1-CD2 4.13Å; V96-F98 HydrophobicContact CG1-CE2 3.53Å; V96-F98 HydrophobicContact CG1-CZ 4Å; F98-T106 HydrophobicContact CD1-CG2 3.84Å; F98-T106 HydrophobicContact CE1-CG2 3.63Å; F98-T106 HydrophobicContact CE2-CG2 4.33Å; F98-T106 HydrophobicContact CG-CG2 4.28Å; F98-T106 HydrophobicContact CZ-CG2 3.89Å; F98-H109 PolarHBondContact O-NE2 2.84Å; F98-H109 VanDerWaalsContact O-NE2 3.16Å; F98-F114 CarbonylContact C-O 3.52Å; F98-F114 WeakPolarHBondContact CA-O 3.39Å; F98-F114 HydrophobicContact CB-CD1 3.71Å; F98-F114 HydrophobicContact CB-CD2 4.04Å; F98-F114 HydrophobicContact CB-CE1 3.34Å; F98-F114 HydrophobicContact CB-CE2 3.7Å; F98-F114 HydrophobicContact CB-CG 4.05Å; F98-F114 HydrophobicContact CB-CZ 3.33Å; F98-F114 HydrophobicContact CD1-CE1 4.45Å; F98-F114 HydrophobicContact CD1-CE2 4.41Å; F98-F114 AromaticContact CD1-CZ 3.86Å; F98-F114 HydrophobicContact CD1-CZ 3.86Å; F98-F114 HydrophobicContact CD2-CD2 4.19Å; F98-F114 AromaticContact CD2-CE2 3.54Å; F98-F114 HydrophobicContact CD2-CE2 3.54Å; F98-F114 AromaticContact CD2-CZ 3.82Å; F98-F114 HydrophobicContact CD2-CZ 3.82Å; F98-F114 HydrophobicContact CE2-CE2 4.25Å; F98-F114 HydrophobicContact CG-CD2 4.37Å; F98-F114 AromaticContact CG-CE1 3.96Å; F98-F114 HydrophobicContact CG-CE1 3.96Å; F98-F114 AromaticContact CG-CE2 3.64Å; F98-F114 HydrophobicContact CG-CE2 3.64Å; F98-F114 AromaticContact CG-CZ 3.4Å; F98-F114 HydrophobicContact CG-CZ 3.4Å; F98-F114 VanDerWaalsContact CG-CZ 3.4Å; F98-F114 PolarHBondContact N-O 3.45Å; F98-F114 PolarHBondContact O-N 2.8Å; F98-F116 HydrophobicContact CD2-CB 3.94Å; F98-F116 HydrophobicContact CE2-CB 3.66Å; F98-F116 HydrophobicContact CE2-CG 4.42Å
99	P	97.6	Very high	96.7	Very high	36 Å²	36	67.3 Å²	67.3	23%	0.234	36%	0.36	C	S	.	.			trans	-71.9	149.6	167.9	31.9	-33.4	0	0	0	109.9	N97 E101 G102 T103 H109	N97-P99 WeakPolarHBondContact O-CD 3.38Å; P99-E101 PolarHBondContact O-N 3.49Å; P99-G102 WeakPolarHBondContact CG-O 3.11Å; P99-G102 WeakPolarHBondContact O-CA 3.4Å; P99-G102 PolarHBondContact O-N 2.79Å; P99-T103 HydrophobicContact CG-CG2 3.49Å; P99-T103 VanDerWaalsContact CG-CG2 3.49Å; P99-H109 PolarHBondContact O-NE2 3.35Å
100	R	96.4	Very high	96.6	Very high	121 Å²	121	71.4 Å²	71.4	46%	0.457	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-40.8	179	178.4	-178.2	-73.8	-85.6	-5.7	112.9	G102 A108 H109 P110 Y111 D113	R100-G102 PolarHBondContact O-N 2.95Å; R100-A108 WeakPolarHBondContact O-CA 3.49Å; R100-H109 WeakPolarHBondContact CG-O 3.16Å; R100-H109 PolarHBondContact O-N 3.47Å; R100-P110 VanDerWaalsContact CZ-O 3.24Å; R100-P110 VanDerWaalsContact NH1-C 3.34Å; R100-P110 PolarHBondContact NH1-O 3.48Å; R100-P110 PolarHBondContact NH2-O 3.31Å; R100-P110 VanDerWaalsContact NH2-O 3.08Å; R100-Y111 VanDerWaalsContact CZ-O 3.26Å; R100-Y111 PolarHBondContact NE-O 3.47Å; R100-Y111 VanDerWaalsContact NH2-C 3.32Å; R100-Y111 PolarHBondContact NH2-O 3.17Å; R100-Y111 VanDerWaalsContact NH2-O 3.11Å; R100-D113 WeakPolarHBondContact CB-OD1 3.37Å; R100-D113 PolarHBondContact N-OD1 3.31Å
101	E	96.9	Very high	96.4	Very high	181 Å²	181	73.9 Å²	73.9	85%	0.846	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-11.3	-179.8	-62.7	176.6	-176.9	0	0	113.5	P99	P99-E101 PolarHBondContact O-N 3.49Å
102	G	95.9	Very high	96.2	Very high	18 Å²	18	71.2 Å²	71.2	19%	0.186	38%	0.378	C	S	.	.			trans	79.4	177.9	-172.7	0	0	0	0	0	113.5	P99 R100 T106	P99-G102 WeakPolarHBondContact CG-O 3.11Å; P99-G102 WeakPolarHBondContact O-CA 3.4Å; P99-G102 PolarHBondContact O-N 2.79Å; R100-G102 PolarHBondContact O-N 2.95Å; G102-T106 CarbonylContact C-O 3.6Å; G102-T106 VanDerWaalsContact CA-O 3.29Å; G102-T106 WeakPolarHBondContact CA-O 3.4Å
103	T	96.1	Very high	96.2	Very high	69 Å²	69	73 Å²	73	42%	0.423	39%	0.388	S	S	.	.			trans	-136.3	-176	173.4	70	0	0	0	0	109.6	P99 T105 T106	P99-T103 HydrophobicContact CG-CG2 3.49Å; P99-T103 VanDerWaalsContact CG-CG2 3.49Å; T103-T105 PolarHBondContact O-N 2.74Å; T103-T105 VanDerWaalsContact O-N 3.16Å; T103-T105 PolarHBondContact OG1-N 3.01Å; T103-T105 PolarHBondContact OG1-OG1 3.44Å; T103-T106 WeakPolarHBondContact CG2-OG1 3.42Å; T103-T106 PolarHBondContact N-O 3.39Å; T103-T106 PolarHBondContact N-OG1 3.47Å; T103-T106 PolarHBondContact OG1-N 2.64Å; T103-T106 PolarHBondContact OG1-OG1 3.07Å
104	K	95.2	Very high	96.2	Very high	220 Å²	220	70.7 Å²	70.7	96%	0.957	38%	0.376	S	S	*	.	S	Bend	trans	-58.7	-24.3	171.8	-64.9	-175.4	179.8	-177.6	0	113.5
105	T	93.6	Very high	96.2	Very high	104 Å²	104	73.4 Å²	73.4	64%	0.638	38%	0.382	S	S	*	.	S	Bend	trans	-117.4	-17.2	-176.1	60.3	0	0	0	0	113.7	H72 T103	H72-T105 PolarHBondContact CD2-O 3.02Å; H72-T105 VanDerWaalsContact CD2-O 3.27Å; T103-T105 PolarHBondContact O-N 2.74Å; T103-T105 VanDerWaalsContact O-N 3.16Å; T103-T105 PolarHBondContact OG1-N 3.01Å; T103-T105 PolarHBondContact OG1-OG1 3.44Å
106	T	95.9	Very high	96.2	Very high	5 Å²	5	70.2 Å²	70.2	3%	0.031	36%	0.362	C	S	.	.	S	Bend	trans	-117.5	133.2	180	56.5	0	0	0	0	110.7	V96 N97 F98 G102 T103	V96-T106 HydrophobicContact CG1-CG2 3.74Å; N97-T106 WeakPolarHBondContact O-CG2 3.3Å; N97-T106 PolarHBondContact O-OG1 3.02Å; F98-T106 HydrophobicContact CD1-CG2 3.84Å; F98-T106 HydrophobicContact CE1-CG2 3.63Å; F98-T106 HydrophobicContact CE2-CG2 4.33Å; F98-T106 HydrophobicContact CG-CG2 4.28Å; F98-T106 HydrophobicContact CZ-CG2 3.89Å; G102-T106 CarbonylContact C-O 3.6Å; G102-T106 VanDerWaalsContact CA-O 3.29Å; G102-T106 WeakPolarHBondContact CA-O 3.4Å; T103-T106 WeakPolarHBondContact CG2-OG1 3.42Å; T103-T106 PolarHBondContact N-O 3.39Å; T103-T106 PolarHBondContact N-OG1 3.47Å; T103-T106 PolarHBondContact OG1-N 2.64Å; T103-T106 PolarHBondContact OG1-OG1 3.07Å
107	Q	94.4	Very high	96.3	Very high	114 Å²	114	72 Å²	72	53%	0.533	37%	0.367	S	S	.	.			trans	-69.9	151.9	179.7	65.8	-175.9	54.5	0	0	112.5	L68	L68-Q107 VanDerWaalsContact CD2-CD 3.47Å; L68-Q107 HydrophobicContact CD2-CG 3.86Å
108	A	96.7	Very high	96.3	Very high	62 Å²	62	67.7 Å²	67.7	51%	0.512	34%	0.343	S	S	.	.			trans	-63.5	152.1	168.9	0	0	0	0	0	111.3	R100	R100-A108 WeakPolarHBondContact O-CA 3.49Å
109	H	96.6	Very high	96.3	Very high	15 Å²	15	67.9 Å²	67.9	7%	0.069	34%	0.344	C	S	.	.			trans	-155.6	158.2	-175.4	59.2	65.6	0	0	0	113	L68 F98 P99 R100 Y111 F114	L68-H109 HydrophobicContact CD1-CB 3.76Å; F98-H109 PolarHBondContact O-NE2 2.84Å; F98-H109 VanDerWaalsContact O-NE2 3.16Å; P99-H109 PolarHBondContact O-NE2 3.35Å; R100-H109 WeakPolarHBondContact CG-O 3.16Å; R100-H109 PolarHBondContact O-N 3.47Å; H109-Y111 VanDerWaalsContact C-N 3.28Å; H109-Y111 HydrophobicContact CB-CD2 4Å; H109-Y111 HydrophobicContact CB-CE2 4.42Å; H109-Y111 PolarHBondContact CE1-O 3.4Å; H109-Y111 PolarHBondContact ND1-N 3.4Å; H109-Y111 PolarHBondContact ND1-O 3.16Å; H109-Y111 PolarHBondContact O-N 3.42Å; H109-F114 AromaticContact CD2-CE1 3.98Å; H109-F114 AromaticContact CE1-CD1 3.93Å; H109-F114 AromaticContact CE1-CE1 3.77Å; H109-F114 AromaticContact NE2-CD1 3.86Å; H109-F114 AromaticContact NE2-CE1 3.42Å; H109-F114 WeakPolarHBondContact NE2-CE1 3.41Å
110	P	95.3	Very high	96.3	Very high	92 Å²	92	66.2 Å²	66.2	60%	0.597	33%	0.333	S	S	*	.	S	Bend	trans	-79.9	-5.4	-178.4	32.8	-36.7	0	0	0	114.4	R100	R100-P110 VanDerWaalsContact CZ-O 3.24Å; R100-P110 VanDerWaalsContact NH1-C 3.34Å; R100-P110 PolarHBondContact NH1-O 3.48Å; R100-P110 PolarHBondContact NH2-O 3.31Å; R100-P110 VanDerWaalsContact NH2-O 3.08Å
111	Y	93.7	Very high	96.4	Very high	64 Å²	64	60.6 Å²	60.6	25%	0.251	31%	0.312	S	S	.	.	S	Bend	trans	-80.3	166.4	-176.9	-47.6	-51.5	0	0	0	112.9	E61 G64 L68 R100 H109	E61-Y111 HydrophobicContact CB-CD1 4.25Å; E61-Y111 HydrophobicContact CG-CD1 3.78Å; E61-Y111 HydrophobicContact CG-CG 3.98Å; G64-Y111 WeakPolarHBondContact CA-OH 3.35Å; L68-Y111 HydrophobicContact CD1-CD2 4.01Å; L68-Y111 HydrophobicContact CD1-CE2 3.94Å; R100-Y111 VanDerWaalsContact CZ-O 3.26Å; R100-Y111 PolarHBondContact NE-O 3.47Å; R100-Y111 VanDerWaalsContact NH2-C 3.32Å; R100-Y111 PolarHBondContact NH2-O 3.17Å; R100-Y111 VanDerWaalsContact NH2-O 3.11Å; H109-Y111 VanDerWaalsContact C-N 3.28Å; H109-Y111 HydrophobicContact CB-CD2 4Å; H109-Y111 HydrophobicContact CB-CE2 4.42Å; H109-Y111 PolarHBondContact CE1-O 3.4Å; H109-Y111 PolarHBondContact ND1-N 3.4Å; H109-Y111 PolarHBondContact ND1-O 3.16Å; H109-Y111 PolarHBondContact O-N 3.42Å
112	S	92.9	Very high	96.4	Very high	30 Å²	30	52.8 Å²	52.8	21%	0.21	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-66.8	153.8	171.8	69.7	0	0	0	0	111.1	K57 E61 F114 S211	K57-S112 PolarHBondContact NZ-OG 3.04Å; E61-S112 WeakPolarHBondContact OE1-CB 3.42Å; E61-S112 PolarHBondContact OE1-N 3.21Å; E61-S112 PolarHBondContact OE1-OG 3.42Å; S112-F114 WeakPolarHBondContact O-CD1 3.35Å; S112-F114 PolarHBondContact O-N 3.34Å; S112-S211 PolarHBondContact OG-OG 3.25Å; S112-S211 VanDerWaalsContact OG-OG 3.09Å
113	D	96.6	Very high	96.4	Very high	98 Å²	98	52 Å²	52	52%	0.524	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-53.1	132.5	175.5	-63.2	-6.5	0	0	0	110.6	R100 S211	R100-D113 WeakPolarHBondContact CB-OD1 3.37Å; R100-D113 PolarHBondContact N-OD1 3.31Å; D113-S211 WeakPolarHBondContact O-CB 3.24Å; D113-S211 PolarHBondContact O-OG 3.39Å
114	F	97.6	Very high	96.5	Very high	7 Å²	7	48.8 Å²	48.8	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	158.6	180	72.3	-84.6	0	0	0	112.4	A65 L68 F98 H109 S112 F116 Y209 Q210	A65-F114 HydrophobicContact CB-CD1 4.3Å; A65-F114 HydrophobicContact CB-CD2 4.28Å; A65-F114 HydrophobicContact CB-CE1 3.92Å; A65-F114 HydrophobicContact CB-CE2 3.9Å; A65-F114 HydrophobicContact CB-CG 4.47Å; A65-F114 HydrophobicContact CB-CZ 3.71Å; L68-F114 HydrophobicContact CB-CZ 4.46Å; L68-F114 HydrophobicContact CD1-CZ 4.44Å; F98-F114 CarbonylContact C-O 3.52Å; F98-F114 WeakPolarHBondContact CA-O 3.39Å; F98-F114 HydrophobicContact CB-CD1 3.71Å; F98-F114 HydrophobicContact CB-CD2 4.04Å; F98-F114 HydrophobicContact CB-CE1 3.34Å; F98-F114 HydrophobicContact CB-CE2 3.7Å; F98-F114 HydrophobicContact CB-CG 4.05Å; F98-F114 HydrophobicContact CB-CZ 3.33Å; F98-F114 HydrophobicContact CD1-CE1 4.45Å; F98-F114 HydrophobicContact CD1-CE2 4.41Å; F98-F114 AromaticContact CD1-CZ 3.86Å; F98-F114 HydrophobicContact CD1-CZ 3.86Å; F98-F114 HydrophobicContact CD2-CD2 4.19Å; F98-F114 AromaticContact CD2-CE2 3.54Å; F98-F114 HydrophobicContact CD2-CE2 3.54Å; F98-F114 AromaticContact CD2-CZ 3.82Å; F98-F114 HydrophobicContact CD2-CZ 3.82Å; F98-F114 HydrophobicContact CE2-CE2 4.25Å; F98-F114 HydrophobicContact CG-CD2 4.37Å; F98-F114 AromaticContact CG-CE1 3.96Å; F98-F114 HydrophobicContact CG-CE1 3.96Å; F98-F114 AromaticContact CG-CE2 3.64Å; F98-F114 HydrophobicContact CG-CE2 3.64Å; F98-F114 AromaticContact CG-CZ 3.4Å; F98-F114 HydrophobicContact CG-CZ 3.4Å; F98-F114 VanDerWaalsContact CG-CZ 3.4Å; F98-F114 PolarHBondContact N-O 3.45Å; F98-F114 PolarHBondContact O-N 2.8Å; H109-F114 AromaticContact CD2-CE1 3.98Å; H109-F114 AromaticContact CE1-CD1 3.93Å; H109-F114 AromaticContact CE1-CE1 3.77Å; H109-F114 AromaticContact NE2-CD1 3.86Å; H109-F114 AromaticContact NE2-CE1 3.42Å; H109-F114 WeakPolarHBondContact NE2-CE1 3.41Å; S112-F114 WeakPolarHBondContact O-CD1 3.35Å; S112-F114 PolarHBondContact O-N 3.34Å; F114-F116 HydrophobicContact CD2-CB 4.45Å; F114-F116 HydrophobicContact CE2-CB 4.2Å; F114-F116 HydrophobicContact CE2-CD2 4.04Å; F114-Y209 HydrophobicContact CB-CD2 3.89Å; F114-Y209 HydrophobicContact CB-CE2 3.37Å; F114-Y209 HydrophobicContact CD1-CE2 4.14Å; F114-Y209 AromaticContact CD2-CD2 3.69Å; F114-Y209 HydrophobicContact CD2-CD2 3.69Å; F114-Y209 AromaticContact CD2-CE2 3.89Å; F114-Y209 HydrophobicContact CD2-CE2 3.89Å; F114-Y209 HydrophobicContact CE2-CD2 4.4Å; F114-Y209 AromaticContact CG-CD2 3.87Å; F114-Y209 HydrophobicContact CG-CD2 3.87Å; F114-Y209 AromaticContact CG-CE2 3.55Å; F114-Y209 HydrophobicContact CG-CE2 3.55Å; F114-Q210 CarbonylContact C-O 3.57Å; F114-Q210 VanDerWaalsContact CA-O 3.24Å; F114-Q210 WeakPolarHBondContact CA-O 3.29Å; F114-Q210 WeakPolarHBondContact CB-O 3.48Å
115	R	97.9	Very high	96.6	Very high	113 Å²	113	38.9 Å²	38.9	43%	0.426	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.8	168.3	-56.1	-168.7	-72.1	-173.6	-9.3	108.8	T95 V96 N97 Q210	T95-R115 HydrophobicContact CG2-CB 4.09Å; V96-R115 CarbonylContact O-C 3.59Å; V96-R115 WeakPolarHBondContact O-CA 3.46Å; N97-R115 WeakPolarHBondContact OD1-CD 3.45Å; N97-R115 WeakPolarHBondContact OD1-CG 3.48Å; R115-Q210 HydrophobicContact CB-CB 4.32Å; R115-Q210 PolarHBondContact N-O 3.04Å; R115-Q210 VanDerWaalsContact NH2-CD 3.34Å; R115-Q210 PolarHBondContact O-N 3.19Å
116	F	98.1	Very high	96.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	111.2	179.9	-158.4	-97.7	0	0	0	109.2	G69 I70 T95 V96 F98 F114 I118 Y207 F218	G69-F116 VanDerWaalsContact C-CE1 3.46Å; I70-F116 HydrophobicContact CG1-CZ 4.23Å; T95-F116 WeakPolarHBondContact CA-O 3.37Å; V96-F116 PolarHBondContact N-O 2.79Å; V96-F116 PolarHBondContact O-N 3.23Å; F98-F116 HydrophobicContact CD2-CB 3.94Å; F98-F116 HydrophobicContact CE2-CB 3.66Å; F98-F116 HydrophobicContact CE2-CG 4.42Å; F114-F116 HydrophobicContact CD2-CB 4.45Å; F114-F116 HydrophobicContact CE2-CB 4.2Å; F114-F116 HydrophobicContact CE2-CD2 4.04Å; F116-I118 HydrophobicContact CD1-CD1 4.39Å; F116-I118 HydrophobicContact CD1-CG1 3.85Å; F116-I118 HydrophobicContact CE1-CG1 4.12Å; F116-Y207 AromaticContact CE1-CD1 3.55Å; F116-Y207 HydrophobicContact CE1-CD1 3.55Å; F116-Y207 HydrophobicContact CE1-CE1 4.23Å; F116-Y207 HydrophobicContact CE1-CG 4.01Å; F116-Y207 HydrophobicContact CZ-CD1 4.03Å; F116-Y207 HydrophobicContact CZ-CG 4.01Å; F116-F218 HydrophobicContact CE2-CE1 4.22Å; F116-F218 AromaticContact CE2-CZ 3.62Å; F116-F218 HydrophobicContact CE2-CZ 3.62Å; F116-F218 HydrophobicContact CZ-CE2 4.35Å; F116-F218 AromaticContact CZ-CZ 3.59Å; F116-F218 HydrophobicContact CZ-CZ 3.59Å
117	R	98.3	Very high	96.6	Very high	64 Å²	64	35.5 Å²	35.5	24%	0.242	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	132.1	178.5	-51.9	176.8	61.5	-180	-1.6	110	I93 D94 T95 Y119 Y207 C208	I93-R117 HydrophobicContact CG2-CB 3.97Å; D94-R117 CarbonylContact O-C 3.56Å; D94-R117 VanDerWaalsContact O-CA 3.29Å; D94-R117 WeakPolarHBondContact O-CA 2.99Å; T95-R117 HydrophobicContact CG2-CG 4.09Å; R117-Y119 HydrophobicContact CB-CE2 4.11Å; R117-Y207 CarbonylContact O-C 3.55Å; R117-Y207 VanDerWaalsContact O-CA 3.29Å; R117-Y207 WeakPolarHBondContact O-CA 3.13Å; R117-C208 HydrophobicContact CB-CB 4.07Å; R117-C208 PolarHBondContact N-O 3.05Å; R117-C208 PolarHBondContact O-N 2.82Å
118	I	98.6	Very high	96.6	Very high	4 Å²	4	30.1 Å²	30.1	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	116.1	-174.9	-60.5	149.2	0	0	0	107.6	H73 I93 D94 V96 F116 P121 Y207	H73-I118 HydrophobicContact CB-CD1 3.64Å; H73-I118 HydrophobicContact CB-CG1 4.11Å; H73-I118 WeakPolarHBondContact NE2-CG2 3.44Å; I93-I118 CarbonylContact C-O 3.55Å; I93-I118 VanDerWaalsContact CA-O 3.29Å; I93-I118 WeakPolarHBondContact CA-O 3.33Å; D94-I118 HydrophobicContact CB-CB 4.29Å; D94-I118 HydrophobicContact CB-CD1 4.39Å; D94-I118 PolarHBondContact N-O 3Å; D94-I118 PolarHBondContact O-N 3.04Å; V96-I118 HydrophobicContact CG2-CD1 4.12Å; F116-I118 HydrophobicContact CD1-CD1 4.39Å; F116-I118 HydrophobicContact CD1-CG1 3.85Å; F116-I118 HydrophobicContact CE1-CG1 4.12Å; I118-P121 HydrophobicContact CG2-CB 3.89Å; I118-P121 HydrophobicContact CG2-CG 4.47Å; I118-Y207 HydrophobicContact CB-CD1 4.39Å; I118-Y207 HydrophobicContact CG1-CD1 4.11Å; I118-Y207 HydrophobicContact CG1-CE1 4.3Å; I118-Y207 HydrophobicContact CG2-CD1 4.33Å; I118-Y207 HydrophobicContact CG2-CE1 4.04Å
119	Y	98.5	Very high	96.4	Very high	9 Å²	9	32.2 Å²	32.2	4%	0.035	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	135	-176.8	-66.1	-106.5	0	0	0	109.9	I93 R117 F124 L206 C208 R217	I93-Y119 HydrophobicContact CD1-CD1 3.73Å; I93-Y119 HydrophobicContact CD1-CE1 3.46Å; I93-Y119 VanDerWaalsContact CD1-CE1 3.46Å; I93-Y119 HydrophobicContact CG1-CD1 3.72Å; I93-Y119 HydrophobicContact CG1-CE1 3.96Å; I93-Y119 HydrophobicContact CG1-CG 4.34Å; I93-Y119 HydrophobicContact CG2-CE1 4.45Å; R117-Y119 HydrophobicContact CB-CE2 4.11Å; Y119-F124 WeakPolarHBondContact O-CD2 3.19Å; Y119-F124 WeakPolarHBondContact O-CE2 3.48Å; Y119-L206 WeakPolarHBondContact CB-O 3.14Å; Y119-L206 HydrophobicContact CD1-CD2 4.19Å; Y119-L206 HydrophobicContact CD2-CD2 4.47Å; Y119-L206 HydrophobicContact CD2-CG 3.99Å; Y119-L206 WeakPolarHBondContact CD2-O 3.45Å; Y119-L206 HydrophobicContact CG-CD2 3.91Å; Y119-L206 HydrophobicContact CG-CG 3.88Å; Y119-L206 PolarHBondContact N-O 2.76Å; Y119-C208 HydrophobicContact CE2-CB 3.81Å; Y119-R217 PolarHBondContact OH-NH1 2.94Å; Y119-R217 VanDerWaalsContact OH-NH1 3.15Å; Y119-R217 PolarHBondContact OH-NH2 3.04Å
120	A	98	Very high	96	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.169	C	C	.	.	S	Bend	trans	45.1	53.4	175.3	0	0	0	0	0	114.5	D89 I92 V122 A123 F124 L185	D89-A120 WeakPolarHBondContact O-CA 3.37Å; I92-A120 PolarHBondContact O-N 3.26Å; A120-V122 VanDerWaalsContact C-N 3.3Å; A120-V122 PolarHBondContact O-N 2.74Å; A120-A123 HydrophobicContact CB-CB 3.86Å; A120-A123 WeakPolarHBondContact O-CB 3.27Å; A120-A123 PolarHBondContact O-N 3.41Å; A120-F124 HydrophobicContact CB-CD2 4.21Å; A120-F124 HydrophobicContact CB-CE2 4.2Å; A120-F124 WeakPolarHBondContact O-CD2 3.49Å; A120-F124 PolarHBondContact O-N 3.31Å; A120-L185 HydrophobicContact CB-CD1 3.62Å
121	P	97.8	Very high	95.8	Very high	4 Å²	4	30.2 Å²	30.2	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-54.6	-42	-170.3	19.2	-31.6	0	0	0	113.6	I92 I118 R125	I92-P121 HydrophobicContact CG2-CG 4.29Å; I118-P121 HydrophobicContact CG2-CB 3.89Å; I118-P121 HydrophobicContact CG2-CG 4.47Å; P121-R125 PolarHBondContact O-N 3.28Å
122	V	96.6	Very high	95.6	Very high	17 Å²	17	35.6 Å²	35.6	10%	0.103	17%	0.169	C	C	.	.	H	α-helix	trans	-69.8	-38.7	179.4	-175.9	0	0	0	0	111.5	L85 D89 A120 R125 C126	L85-V122 HydrophobicContact CD1-CB 4.37Å; L85-V122 HydrophobicContact CD1-CG1 4.03Å; D89-V122 HydrophobicContact CB-CB 4.31Å; A120-V122 VanDerWaalsContact C-N 3.3Å; A120-V122 PolarHBondContact O-N 2.74Å; V122-R125 WeakPolarHBondContact O-CB 3.39Å; V122-R125 PolarHBondContact O-N 3.04Å; V122-C126 PolarHBondContact O-N 3.08Å
123	A	97	Very high	95.5	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62	-47.9	176.3	0	0	0	0	0	111.4	L85 F90 A120 R125 C126 F127	L85-A123 HydrophobicContact CD1-CB 3.88Å; L85-A123 HydrophobicContact CD2-CB 4.29Å; F90-A123 HydrophobicContact CD1-CB 3.7Å; F90-A123 HydrophobicContact CE1-CB 3.71Å; A120-A123 HydrophobicContact CB-CB 3.86Å; A120-A123 WeakPolarHBondContact O-CB 3.27Å; A120-A123 PolarHBondContact O-N 3.41Å; A123-R125 VanDerWaalsContact C-N 3.29Å; A123-R125 PolarHBondContact O-N 2.98Å; A123-C126 WeakPolarHBondContact O-CA 3.42Å; A123-C126 VanDerWaalsContact O-CB 3.3Å; A123-C126 WeakPolarHBondContact O-CB 3.12Å; A123-C126 PolarHBondContact O-N 3.12Å; A123-F127 HydrophobicContact CB-CE2 4.33Å; A123-F127 HydrophobicContact CB-CZ 4.5Å; A123-F127 WeakPolarHBondContact O-CG 3.44Å; A123-F127 PolarHBondContact O-N 2.94Å
124	F	97.3	Very high	95.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.009	16%	0.157	C	C	.	.	H	α-helix	trans	-68.2	-26.1	176.9	-75	-72.7	0	0	0	113.3	Y119 A120 F127 R128 L185 Y204 G205 L206	Y119-F124 WeakPolarHBondContact O-CD2 3.19Å; Y119-F124 WeakPolarHBondContact O-CE2 3.48Å; A120-F124 HydrophobicContact CB-CD2 4.21Å; A120-F124 HydrophobicContact CB-CE2 4.2Å; A120-F124 WeakPolarHBondContact O-CD2 3.49Å; A120-F124 PolarHBondContact O-N 3.31Å; F124-F127 AromaticContact CD1-CD2 3.63Å; F124-F127 HydrophobicContact CD1-CD2 3.63Å; F124-F127 HydrophobicContact CD1-CE2 4.18Å; F124-F127 AromaticContact CE1-CD2 3.98Å; F124-F127 HydrophobicContact CE1-CD2 3.98Å; F124-F127 HydrophobicContact CE1-CE2 4.19Å; F124-F127 HydrophobicContact CG-CD2 4.22Å; F124-R128 WeakPolarHBondContact O-CB 3.32Å; F124-R128 VanDerWaalsContact O-CG 3.3Å; F124-R128 WeakPolarHBondContact O-CG 3.41Å; F124-R128 PolarHBondContact O-N 3.28Å; F124-R128 VanDerWaalsContact O-N 3.1Å; F124-R128 PolarHBondContact O-NE 3.39Å; F124-L185 HydrophobicContact CE2-CD1 4.06Å; F124-L185 HydrophobicContact CZ-CD1 4.29Å; F124-L185 HydrophobicContact CZ-CD2 4.03Å; F124-Y204 VanDerWaalsContact CD1-C 3.49Å; F124-G205 VanDerWaalsContact CD1-CA 3.44Å; F124-L206 HydrophobicContact CE2-CB 3.69Å; F124-L206 HydrophobicContact CZ-CB 3.63Å
125	R	96.5	Very high	95.3	Very high	13 Å²	13	35 Å²	35	5%	0.049	16%	0.164	C	C	.	.	H	α-helix	trans	-63.2	-44.2	166.8	-178.4	171.7	70.8	170.3	7.7	111.1	L77 K80 P81 D82 P121 V122 A123 K129	L77-R125 HydrophobicContact CD2-CB 3.89Å; L77-R125 HydrophobicContact CD2-CG 4.38Å; K80-R125 PolarHBondContact O-NH1 2.73Å; P81-R125 PolarHBondContact O-NH1 3.46Å; P81-R125 PolarHBondContact O-NH2 3.44Å; D82-R125 IonicContact OD1-CZ 2.88Å; D82-R125 IonicContact OD1-NE 3.61Å; D82-R125 IonicContact OD1-NH1 3.77Å; D82-R125 IonicContact OD1-NH2 2.65Å; P121-R125 PolarHBondContact O-N 3.28Å; V122-R125 WeakPolarHBondContact O-CB 3.39Å; V122-R125 PolarHBondContact O-N 3.04Å; A123-R125 VanDerWaalsContact C-N 3.29Å; A123-R125 PolarHBondContact O-N 2.98Å; R125-K129 WeakPolarHBondContact O-CG 3.36Å; R125-K129 PolarHBondContact O-N 2.96Å
126	C	94.6	Very high	95.1	Very high	38 Å²	38	38 Å²	38	26%	0.257	18%	0.175	S	C	.	.	H	α-helix	trans	-63.1	-44.9	176.7	-171.2	0	0	0	0	112	L85 V122 A123 R128 K129 S130	L85-C126 HydrophobicContact CD2-CB 4.24Å; V122-C126 PolarHBondContact O-N 3.08Å; A123-C126 WeakPolarHBondContact O-CA 3.42Å; A123-C126 VanDerWaalsContact O-CB 3.3Å; A123-C126 WeakPolarHBondContact O-CB 3.12Å; A123-C126 PolarHBondContact O-N 3.12Å; C126-R128 PolarHBondContact O-N 3.43Å; C126-K129 WeakPolarHBondContact O-CB 3.45Å; C126-K129 PolarHBondContact O-N 3.36Å; C126-S130 PolarHBondContact O-N 3.4Å
127	F	94.7	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-59.5	-49.1	176.6	-60.2	-32.6	0	0	0	112.4	F90 A123 F124 K129 S130 Y131 L185 Y188 F189 L192	F90-F127 HydrophobicContact CE1-CZ 4.36Å; A123-F127 HydrophobicContact CB-CE2 4.33Å; A123-F127 HydrophobicContact CB-CZ 4.5Å; A123-F127 WeakPolarHBondContact O-CG 3.44Å; A123-F127 PolarHBondContact O-N 2.94Å; F124-F127 AromaticContact CD1-CD2 3.63Å; F124-F127 HydrophobicContact CD1-CD2 3.63Å; F124-F127 HydrophobicContact CD1-CE2 4.18Å; F124-F127 AromaticContact CE1-CD2 3.98Å; F124-F127 HydrophobicContact CE1-CD2 3.98Å; F124-F127 HydrophobicContact CE1-CE2 4.19Å; F124-F127 HydrophobicContact CG-CD2 4.22Å; F127-K129 VanDerWaalsContact C-N 3.26Å; F127-K129 PolarHBondContact O-N 2.98Å; F127-S130 WeakPolarHBondContact O-CB 3.42Å; F127-S130 PolarHBondContact O-N 2.93Å; F127-Y131 HydrophobicContact CB-CD2 4.38Å; F127-Y131 HydrophobicContact CB-CE2 3.69Å; F127-Y131 WeakPolarHBondContact O-CD2 3.23Å; F127-Y131 WeakPolarHBondContact O-CE2 3.29Å; F127-Y131 VanDerWaalsContact O-CG 3.26Å; F127-Y131 PolarHBondContact O-N 2.86Å; F127-L185 HydrophobicContact CE2-CD2 4.08Å; F127-Y188 HydrophobicContact CD1-CE1 4.48Å; F127-Y188 AromaticContact CE1-CD1 4Å; F127-Y188 HydrophobicContact CE1-CD1 4Å; F127-Y188 HydrophobicContact CE1-CE1 4.3Å; F127-Y188 HydrophobicContact CE2-CD1 4.22Å; F127-Y188 HydrophobicContact CE2-CE1 4.46Å; F127-Y188 AromaticContact CZ-CD1 3.8Å; F127-Y188 HydrophobicContact CZ-CD1 3.8Å; F127-Y188 HydrophobicContact CZ-CE1 4.32Å; F127-F189 HydrophobicContact CD1-CD2 4.38Å; F127-F189 HydrophobicContact CE1-CB 3.72Å; F127-F189 AromaticContact CE1-CD2 3.8Å; F127-F189 HydrophobicContact CE1-CD2 3.8Å; F127-F189 HydrophobicContact CE1-CG 4.25Å; F127-F189 HydrophobicContact CZ-CB 4.13Å; F127-L192 HydrophobicContact CD1-CD2 3.78Å; F127-L192 HydrophobicContact CE1-CD2 4.44Å
128	R	94.8	Very high	94.8	Very high	1 Å²	1	38.4 Å²	38.4	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-55	-41.5	176.6	-74.8	178.6	-74.6	135.5	-9	112.2	F124 C126 Y131 K132 L133 I135 Y204	F124-R128 WeakPolarHBondContact O-CB 3.32Å; F124-R128 VanDerWaalsContact O-CG 3.3Å; F124-R128 WeakPolarHBondContact O-CG 3.41Å; F124-R128 PolarHBondContact O-N 3.28Å; F124-R128 VanDerWaalsContact O-N 3.1Å; F124-R128 PolarHBondContact O-NE 3.39Å; C126-R128 PolarHBondContact O-N 3.43Å; R128-Y131 PolarHBondContact O-N 3.43Å; R128-K132 PolarHBondContact O-N 3.48Å; R128-L133 HydrophobicContact CB-CB 4.38Å; R128-L133 HydrophobicContact CB-CD2 4.06Å; R128-L133 HydrophobicContact CG-CD2 3.69Å; R128-L133 WeakPolarHBondContact O-CB 3.42Å; R128-L133 PolarHBondContact O-N 3.17Å; R128-I135 HydrophobicContact CB-CD1 4.3Å; R128-I135 VanDerWaalsContact NH1-CD1 3.28Å; R128-Y204 HydrophobicContact CG-CD1 4.01Å
129	K	92.1	Very high	94.6	Very high	105 Å²	105	39.9 Å²	39.9	46%	0.457	19%	0.19	S	C	.	.	H	α-helix	trans	-65.4	-43.5	173.8	-71.6	-177	179.5	-176.2	0	113	D82 R125 C126 F127 Y131 K132	D82-K129 IonicContact OD1-NZ 2.59Å; D82-K129 PolarHBondContact OD1-NZ 2.7Å; D82-K129 IonicContact OD2-NZ 3.9Å; D82-K129 PolarHBondContact OD2-NZ 3.36Å; R125-K129 WeakPolarHBondContact O-CG 3.36Å; R125-K129 PolarHBondContact O-N 2.96Å; C126-K129 WeakPolarHBondContact O-CB 3.45Å; C126-K129 PolarHBondContact O-N 3.36Å; F127-K129 VanDerWaalsContact C-N 3.26Å; F127-K129 PolarHBondContact O-N 2.98Å; K129-Y131 VanDerWaalsContact C-N 3.25Å; K129-Y131 PolarHBondContact O-N 3.3Å; K129-K132 WeakPolarHBondContact O-CA 3.16Å; K129-K132 PolarHBondContact O-N 3.13Å
130	S	89.6	Confident	94.5	Very high	45 Å²	45	43.5 Å²	43.5	32%	0.315	21%	0.21	S	C	.	.	H	α-helix	trans	-60.8	-35.7	177.2	-179.2	0	0	0	0	112.3	C126 F127 K132 M193	C126-S130 PolarHBondContact O-N 3.4Å; F127-S130 WeakPolarHBondContact O-CB 3.42Å; F127-S130 PolarHBondContact O-N 2.93Å; S130-K132 PolarHBondContact O-N 3.06Å; S130-M193 VanDerWaalsContact OG-CE 3.32Å; S130-M193 WeakPolarHBondContact OG-CE 3.49Å
131	Y	90.1	Very high	94.2	Very high	20 Å²	20	43.8 Å²	43.8	8%	0.078	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-0.4	173.3	-52.1	-45.1	0	0	0	114.3	F127 R128 K129 L133 Y188 L192 K202 Y204	F127-Y131 HydrophobicContact CB-CD2 4.38Å; F127-Y131 HydrophobicContact CB-CE2 3.69Å; F127-Y131 WeakPolarHBondContact O-CD2 3.23Å; F127-Y131 WeakPolarHBondContact O-CE2 3.29Å; F127-Y131 VanDerWaalsContact O-CG 3.26Å; F127-Y131 PolarHBondContact O-N 2.86Å; R128-Y131 PolarHBondContact O-N 3.43Å; K129-Y131 VanDerWaalsContact C-N 3.25Å; K129-Y131 PolarHBondContact O-N 3.3Å; Y131-L133 PolarHBondContact O-N 3.09Å; Y131-Y188 VanDerWaalsContact OH-CE1 3.32Å; Y131-Y188 WeakPolarHBondContact OH-CE1 3.2Å; Y131-Y188 PolarHBondContact OH-OH 3.02Å; Y131-L192 HydrophobicContact CD1-CD1 4.26Å; Y131-L192 HydrophobicContact CD1-CD2 4.47Å; Y131-L192 HydrophobicContact CE1-CD1 3.53Å; Y131-L192 HydrophobicContact CE1-CD2 3.64Å; Y131-L192 HydrophobicContact CE1-CG 4.24Å; Y131-K202 HydrophobicContact CD1-CB 4.44Å; Y131-K202 HydrophobicContact CD1-CD 4.05Å; Y131-K202 HydrophobicContact CD1-CG 4.3Å; Y131-K202 HydrophobicContact CD2-CB 4.44Å; Y131-K202 HydrophobicContact CE1-CB 3.99Å; Y131-K202 HydrophobicContact CE1-CD 4.2Å; Y131-K202 HydrophobicContact CE1-CG 3.93Å; Y131-K202 HydrophobicContact CE2-CB 4.01Å; Y131-Y204 AromaticContact CD2-CD1 3.7Å; Y131-Y204 HydrophobicContact CD2-CD1 3.7Å; Y131-Y204 AromaticContact CD2-CE1 3.37Å; Y131-Y204 HydrophobicContact CD2-CE1 3.37Å; Y131-Y204 HydrophobicContact CE2-CD1 4.07Å; Y131-Y204 HydrophobicContact CE2-CE1 4Å; Y131-Y204 HydrophobicContact CG-CE1 4.12Å
132	K	91.1	Very high	94.1	Very high	177 Å²	177	43.6 Å²	43.6	77%	0.77	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.8	35.3	-176.6	-52.9	177.5	-178.3	175.3	0	113.6	R128 K129 S130	R128-K132 PolarHBondContact O-N 3.48Å; K129-K132 WeakPolarHBondContact O-CA 3.16Å; K129-K132 PolarHBondContact O-N 3.13Å; S130-K132 PolarHBondContact O-N 3.06Å
133	L	90.6	Very high	94	Very high	32 Å²	32	43.6 Å²	43.6	17%	0.168	21%	0.211	C	C	.	.			trans	-77.5	122	179.9	-174.1	72.1	0	0	0	111	R128 Y131 I135 F138 F168 Y204	R128-L133 HydrophobicContact CB-CB 4.38Å; R128-L133 HydrophobicContact CB-CD2 4.06Å; R128-L133 HydrophobicContact CG-CD2 3.69Å; R128-L133 WeakPolarHBondContact O-CB 3.42Å; R128-L133 PolarHBondContact O-N 3.17Å; Y131-L133 PolarHBondContact O-N 3.09Å; L133-I135 PolarHBondContact O-N 3.16Å; L133-F138 HydrophobicContact CD1-CB 4.36Å; L133-F138 HydrophobicContact CD1-CD2 4.5Å; L133-F138 HydrophobicContact CD2-CB 3.84Å; L133-F138 HydrophobicContact CD2-CD1 4.46Å; L133-F138 HydrophobicContact CD2-CD2 3.57Å; L133-F138 HydrophobicContact CD2-CE2 4.14Å; L133-F138 HydrophobicContact CD2-CG 3.71Å; L133-F138 HydrophobicContact CG-CB 4.05Å; L133-F138 HydrophobicContact CG-CD2 4.46Å; L133-F138 HydrophobicContact CG-CG 4.46Å; L133-F168 HydrophobicContact CD1-CE1 3.97Å; L133-F168 HydrophobicContact CD1-CZ 3.69Å; L133-Y204 HydrophobicContact CD2-CD1 3.83Å; L133-Y204 HydrophobicContact CD2-CE1 4.06Å; L133-Y204 HydrophobicContact CD2-CG 4.46Å
134	D	94.2	Very high	93.7	Very high	58 Å²	58	47.5 Å²	47.5	31%	0.31	24%	0.238	S	C	.	.			trans	-70.7	126.8	167.8	-173.8	-59.1	0	0	0	109.1	R136 D137 F138	D134-R136 VanDerWaalsContact C-N 3.33Å; D134-R136 PolarHBondContact O-N 3.09Å; D134-R136 WeakPolarHBondContact OD1-CA 3.42Å; D134-R136 VanDerWaalsContact OD1-CB 3.25Å; D134-R136 WeakPolarHBondContact OD1-CB 3.41Å; D134-R136 PolarHBondContact OD1-N 3.31Å; D134-R136 IonicContact OD1-NE 2.68Å; D134-R136 PolarHBondContact OD1-NE 2.79Å; D134-R136 IonicContact OD2-CZ 3.34Å; D134-R136 IonicContact OD2-NE 3.58Å; D134-R136 IonicContact OD2-NH2 2.73Å; D134-R136 PolarHBondContact OD2-NH2 2.8Å; D134-D137 HydrophobicContact CB-CB 4.15Å; D134-D137 PolarHBondContact O-N 2.85Å; D134-D137 PolarHBondContact OD1-N 2.98Å; D134-F138 WeakPolarHBondContact O-CB 3.4Å; D134-F138 PolarHBondContact O-N 3.03Å
135	I	95.2	Very high	93.4	Very high	34 Å²	34	51.4 Å²	51.4	17%	0.174	26%	0.256	C	S	.	.	H	α-helix	trans	-71.8	-29	-174	-61.8	-50	0	0	0	112.3	I74 Q78 R128 L133 L139	I74-I135 HydrophobicContact CG2-CG2 3.42Å; I74-I135 VanDerWaalsContact CG2-CG2 3.42Å; Q78-I135 HydrophobicContact CG-CG2 4.39Å; R128-I135 HydrophobicContact CB-CD1 4.3Å; R128-I135 VanDerWaalsContact NH1-CD1 3.28Å; L133-I135 PolarHBondContact O-N 3.16Å; I135-L139 HydrophobicContact CG2-CD1 4.36Å; I135-L139 WeakPolarHBondContact O-CB 3.43Å; I135-L139 WeakPolarHBondContact O-CG 3.31Å; I135-L139 PolarHBondContact O-N 3.33Å
136	R	94.6	Very high	93.1	Very high	175 Å²	175	55 Å²	55	66%	0.66	28%	0.284	S	S	*	.	H	α-helix	trans	-70.5	-44.4	175.7	-60.4	171.2	-67.4	-177.5	-0.8	109.7	D134 F138 L139 N140	D134-R136 VanDerWaalsContact C-N 3.33Å; D134-R136 PolarHBondContact O-N 3.09Å; D134-R136 WeakPolarHBondContact OD1-CA 3.42Å; D134-R136 VanDerWaalsContact OD1-CB 3.25Å; D134-R136 WeakPolarHBondContact OD1-CB 3.41Å; D134-R136 PolarHBondContact OD1-N 3.31Å; D134-R136 IonicContact OD1-NE 2.68Å; D134-R136 PolarHBondContact OD1-NE 2.79Å; D134-R136 IonicContact OD2-CZ 3.34Å; D134-R136 IonicContact OD2-NE 3.58Å; D134-R136 IonicContact OD2-NH2 2.73Å; D134-R136 PolarHBondContact OD2-NH2 2.8Å; R136-F138 VanDerWaalsContact C-N 3.33Å; R136-F138 PolarHBondContact O-N 3.11Å; R136-L139 PolarHBondContact O-N 3.46Å; R136-N140 WeakPolarHBondContact O-CB 3.14Å; R136-N140 PolarHBondContact O-N 2.74Å; R136-N140 PolarHBondContact O-ND2 2.84Å
137	D	93.2	Very high	93	Very high	72 Å²	72	53.6 Å²	53.6	39%	0.385	27%	0.274	S	S	.	.	H	α-helix	trans	-62.4	-43.7	176.3	-65	-15.8	0	0	0	110.6	D134 L139 N140 S141	D134-D137 HydrophobicContact CB-CB 4.15Å; D134-D137 PolarHBondContact O-N 2.85Å; D134-D137 PolarHBondContact OD1-N 2.98Å; D137-L139 PolarHBondContact O-N 3.31Å; D137-N140 PolarHBondContact O-N 2.82Å; D137-S141 WeakPolarHBondContact O-CB 3.32Å; D137-S141 PolarHBondContact O-N 2.88Å; D137-S141 PolarHBondContact O-OG 2.65Å
138	F	95	Very high	92.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-46.2	174.7	-179.2	-114.9	0	0	0	113.1	I70 I74 L133 D134 R136 L142 F168 Y204 V220	I70-F138 HydrophobicContact CG2-CE1 4.42Å; I74-F138 HydrophobicContact CD1-CE1 4.19Å; I74-F138 HydrophobicContact CG1-CE1 4.38Å; L133-F138 HydrophobicContact CD1-CB 4.36Å; L133-F138 HydrophobicContact CD1-CD2 4.5Å; L133-F138 HydrophobicContact CD2-CB 3.84Å; L133-F138 HydrophobicContact CD2-CD1 4.46Å; L133-F138 HydrophobicContact CD2-CD2 3.57Å; L133-F138 HydrophobicContact CD2-CE2 4.14Å; L133-F138 HydrophobicContact CD2-CG 3.71Å; L133-F138 HydrophobicContact CG-CB 4.05Å; L133-F138 HydrophobicContact CG-CD2 4.46Å; L133-F138 HydrophobicContact CG-CG 4.46Å; D134-F138 WeakPolarHBondContact O-CB 3.4Å; D134-F138 PolarHBondContact O-N 3.03Å; R136-F138 VanDerWaalsContact C-N 3.33Å; R136-F138 PolarHBondContact O-N 3.11Å; F138-L142 HydrophobicContact CD1-CD1 4.45Å; F138-L142 HydrophobicContact CD2-CD1 3.86Å; F138-L142 HydrophobicContact CD2-CG 4.41Å; F138-L142 HydrophobicContact CE1-CD1 3.91Å; F138-L142 HydrophobicContact CE2-CD1 3.28Å; F138-L142 HydrophobicContact CE2-CG 4.22Å; F138-L142 HydrophobicContact CG-CD1 4.45Å; F138-L142 HydrophobicContact CZ-CD1 3.3Å; F138-L142 WeakPolarHBondContact O-CB 3.41Å; F138-L142 PolarHBondContact O-N 2.82Å; F138-L142 VanDerWaalsContact O-N 3.13Å; F138-F168 HydrophobicContact CD2-CD1 4.16Å; F138-F168 AromaticContact CD2-CE1 3.73Å; F138-F168 HydrophobicContact CD2-CE1 3.73Å; F138-F168 HydrophobicContact CD2-CE2 4.15Å; F138-F168 AromaticContact CD2-CZ 3.76Å; F138-F168 HydrophobicContact CD2-CZ 3.76Å; F138-F168 HydrophobicContact CE2-CD1 4.07Å; F138-F168 HydrophobicContact CE2-CE1 4.02Å; F138-F168 HydrophobicContact CE2-CZ 4.47Å; F138-Y204 HydrophobicContact CE2-CD2 4.44Å; F138-Y204 HydrophobicContact CE2-CG 4.18Å; F138-V220 HydrophobicContact CE2-CG1 4.01Å; F138-V220 HydrophobicContact CZ-CG1 4.13Å
139	L	96.1	Very high	92.5	Very high	36 Å²	36	61.4 Å²	61.4	19%	0.188	31%	0.31	C	S	.	.	H	α-helix	trans	-68.5	-39.2	177.8	-77.9	177.7	0	0	0	112.4	I70 I74 I135 R136 D137 S141 L142 C143 S144	I70-L139 HydrophobicContact CG2-CD2 4.28Å; I74-L139 HydrophobicContact CB-CD1 4.34Å; I74-L139 HydrophobicContact CB-CD2 3.93Å; I74-L139 HydrophobicContact CB-CG 4.42Å; I74-L139 HydrophobicContact CG1-CD2 4.13Å; I74-L139 HydrophobicContact CG2-CD1 3.85Å; I74-L139 HydrophobicContact CG2-CD2 4.1Å; I74-L139 HydrophobicContact CG2-CG 4.04Å; I135-L139 HydrophobicContact CG2-CD1 4.36Å; I135-L139 WeakPolarHBondContact O-CB 3.43Å; I135-L139 WeakPolarHBondContact O-CG 3.31Å; I135-L139 PolarHBondContact O-N 3.33Å; R136-L139 PolarHBondContact O-N 3.46Å; D137-L139 PolarHBondContact O-N 3.31Å; L139-S141 VanDerWaalsContact C-N 3.34Å; L139-L142 PolarHBondContact O-N 2.84Å; L139-C143 WeakPolarHBondContact O-CA 3.49Å; L139-C143 VanDerWaalsContact O-CB 3.29Å; L139-C143 WeakPolarHBondContact O-CB 3.43Å; L139-C143 PolarHBondContact O-N 3.3Å; L139-S144 PolarHBondContact O-N 2.87Å
140	N	94.8	Very high	92.1	Very high	85 Å²	85	59 Å²	59	46%	0.455	30%	0.302	S	S	.	.	I	π-helix	trans	-61.5	-45.5	176.1	-75	-23.6	0	0	0	111.2	R136 D137 L142 S144	R136-N140 WeakPolarHBondContact O-CB 3.14Å; R136-N140 PolarHBondContact O-N 2.74Å; R136-N140 PolarHBondContact O-ND2 2.84Å; D137-N140 PolarHBondContact O-N 2.82Å; N140-L142 PolarHBondContact O-N 3.44Å; N140-S144 WeakPolarHBondContact O-CB 3.47Å; N140-S144 PolarHBondContact O-N 3.29Å; N140-S144 PolarHBondContact OD1-OG 2.84Å
141	S	93.3	Very high	91	Very high	5 Å²	5	61.2 Å²	61.2	4%	0.035	32%	0.317	C	S	.	.	I	π-helix	trans	-66.4	-38	-178	-49.5	0	0	0	0	112.6	D137 L139 S163 D165	D137-S141 WeakPolarHBondContact O-CB 3.32Å; D137-S141 PolarHBondContact O-N 2.88Å; D137-S141 PolarHBondContact O-OG 2.65Å; L139-S141 VanDerWaalsContact C-N 3.34Å; S141-S163 WeakPolarHBondContact O-CB 3.43Å; S141-D165 WeakPolarHBondContact CB-OD2 3.24Å; S141-D165 PolarHBondContact OG-OD2 2.94Å
142	L	94.9	Very high	89.7	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.338	C	S	.	.	I	π-helix	trans	-93.7	-37.4	-175.6	-69.5	-175.8	0	0	0	114.7	Q67 I70 F138 L139 N140 L147 F168 I170 V220	Q67-L142 WeakPolarHBondContact CG-O 3.11Å; Q67-L142 PolarHBondContact NE2-O 2.79Å; I70-L142 HydrophobicContact CD1-CD1 4.3Å; F138-L142 HydrophobicContact CD1-CD1 4.45Å; F138-L142 HydrophobicContact CD2-CD1 3.86Å; F138-L142 HydrophobicContact CD2-CG 4.41Å; F138-L142 HydrophobicContact CE1-CD1 3.91Å; F138-L142 HydrophobicContact CE2-CD1 3.28Å; F138-L142 HydrophobicContact CE2-CG 4.22Å; F138-L142 HydrophobicContact CG-CD1 4.45Å; F138-L142 HydrophobicContact CZ-CD1 3.3Å; F138-L142 WeakPolarHBondContact O-CB 3.41Å; F138-L142 PolarHBondContact O-N 2.82Å; F138-L142 VanDerWaalsContact O-N 3.13Å; L139-L142 PolarHBondContact O-N 2.84Å; N140-L142 PolarHBondContact O-N 3.44Å; L142-L147 HydrophobicContact CD2-CD2 4.41Å; L142-F168 HydrophobicContact CD2-CB 3.62Å; L142-F168 HydrophobicContact CD2-CD2 4.15Å; L142-F168 HydrophobicContact CD2-CG 4.06Å; L142-F168 HydrophobicContact CG-CB 4.48Å; L142-F168 HydrophobicContact CG-CD2 4.28Å; L142-F168 HydrophobicContact CG-CG 4.41Å; L142-I170 HydrophobicContact CD2-CD1 4.14Å; L142-I170 HydrophobicContact CD2-CG1 4.47Å; L142-V220 HydrophobicContact CD1-CG1 3.79Å
143	C	95.1	Very high	88	Confident	17 Å²	17	58.4 Å²	58.4	12%	0.115	31%	0.314	C	S	.	.	I	π-helix	trans	-112.6	-25.2	-165.7	-58	0	0	0	0	113.8	Q67 Q71 L139	Q67-C143 HydrophobicContact CB-CB 4.48Å; Q67-C143 PolarHBondContact O-SG 3.48Å; Q71-C143 HydrophobicContact CB-CB 4.34Å; L139-C143 WeakPolarHBondContact O-CA 3.49Å; L139-C143 VanDerWaalsContact O-CB 3.29Å; L139-C143 WeakPolarHBondContact O-CB 3.43Å; L139-C143 PolarHBondContact O-N 3.3Å
144	S	90.7	Very high	86.6	Confident	81 Å²	81	58.5 Å²	58.5	57%	0.566	32%	0.323	S	S	*	.	I	π-helix	trans	-87.2	-18	-176.8	-57	0	0	0	0	113.6	L139 N140	L139-S144 PolarHBondContact O-N 2.87Å; N140-S144 WeakPolarHBondContact O-CB 3.47Å; N140-S144 PolarHBondContact O-N 3.29Å; N140-S144 PolarHBondContact OD1-OG 2.84Å
145	Q	89.5	Confident	85.1	Confident	84 Å²	84	61 Å²	61	39%	0.393	35%	0.352	S	S	.	.	S	Bend	trans	-123.6	155.4	-177.1	-73.2	178.7	-18	0	0	111.4	Q67 L147 Q164	Q67-Q145 PolarHBondContact NE2-O 2.55Å; Q145-L147 PolarHBondContact O-N 3.08Å; Q145-Q164 HydrophobicContact CB-CB 4.23Å; Q145-Q164 VanDerWaalsContact CB-OE1 3.32Å; Q145-Q164 VanDerWaalsContact CG-OE1 3.3Å
146	S	90.7	Very high	83.9	Confident	90 Å²	90	61.8 Å²	61.8	63%	0.629	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-66.6	134.4	177.5	57.5	0	0	0	0	111.2
147	L	92.7	Very high	83	Confident	8 Å²	8	53.4 Å²	53.4	4%	0.042	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-77.2	135.4	173.4	-65.5	171.1	0	0	0	110.7	Q63 Q67 L142 Q145 Y161 I170	Q63-L147 HydrophobicContact CG-CB 4.42Å; Q63-L147 PolarHBondContact NE2-O 3.13Å; Q67-L147 HydrophobicContact CG-CD1 4.19Å; L142-L147 HydrophobicContact CD2-CD2 4.41Å; Q145-L147 PolarHBondContact O-N 3.08Å; L147-Y161 HydrophobicContact CB-CG 4.48Å; L147-I170 HydrophobicContact CD1-CD1 3.75Å; L147-I170 HydrophobicContact CD2-CD1 4.19Å
148	Q	89.8	Confident	82.7	Confident	120 Å²	120	50.3 Å²	50.3	56%	0.561	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	124.7	175.5	176.5	178.9	-45.6	0	0	110.2	Y161 I162	Q148-Y161 CarbonylContact O-C 3.53Å; Q148-Y161 VanDerWaalsContact O-CA 3.24Å; Q148-Y161 WeakPolarHBondContact O-CA 2.88Å; Q148-I162 HydrophobicContact CB-CG2 3.74Å; Q148-I162 HydrophobicContact CG-CG2 4.18Å; Q148-I162 PolarHBondContact N-O 2.86Å; Q148-I162 PolarHBondContact O-N 3.48Å
149	E	90	Very high	82.4	Confident	45 Å²	45	50.4 Å²	50.4	21%	0.21	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	126.1	171.9	-171.9	-177.2	141	0	0	110.4	V52 T59 I159 Y161	V52-E149 WeakPolarHBondContact CG1-OE1 3.31Å; T59-E149 WeakPolarHBondContact CB-OE2 3.47Å; T59-E149 WeakPolarHBondContact CG2-OE2 3.35Å; T59-E149 PolarHBondContact OG1-OE2 2.81Å; E149-I159 HydrophobicContact CG-CG2 4.09Å; E149-Y161 HydrophobicContact CB-CD1 3.96Å; E149-Y161 HydrophobicContact CB-CE1 3.96Å; E149-Y161 HydrophobicContact CG-CD1 4.25Å; E149-Y161 HydrophobicContact CG-CE1 4.01Å
150	L	83	Confident	82.1	Confident	55 Å²	55	50.9 Å²	50.9	29%	0.288	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	122	172.9	-59.6	-179.5	0	0	0	109.6	N152 F160 I162	L150-N152 PolarHBondContact O-N 2.83Å; L150-N152 VanDerWaalsContact O-N 3.09Å; L150-F160 HydrophobicContact CB-CB 4.04Å; L150-F160 HydrophobicContact CD1-CB 4.13Å; L150-F160 HydrophobicContact CG-CB 4.37Å; L150-F160 PolarHBondContact N-O 2.87Å; L150-I162 HydrophobicContact CD1-CB 4.49Å; L150-I162 HydrophobicContact CD2-CG2 3.88Å; L150-I162 HydrophobicContact CG-CG2 4.24Å
151	S	66	Low	82	Confident	90 Å²	90	47 Å²	47	63%	0.629	29%	0.293	S	S	*	.			trans	-76.3	9.5	-174.8	61.6	0	0	0	0	114.8	P153	S151-P153 VanDerWaalsContact C-CD 3.45Å; S151-P153 WeakPolarHBondContact O-CD 3.31Å
152	N	62.8	Low	81.9	Confident	98 Å²	98	47.2 Å²	47.2	52%	0.524	29%	0.293	S	S	.	.			trans	-95.5	86.7	-179.7	-72	-37	0	0	0	110.6	L150 G154	L150-N152 PolarHBondContact O-N 2.83Å; L150-N152 VanDerWaalsContact O-N 3.09Å; N152-G154 PolarHBondContact O-N 2.92Å
153	P	56.4	Low	81.8	Confident	40 Å²	40	47.2 Å²	47.2	26%	0.26	29%	0.293	S	S	.	.			trans	-66.8	106.7	170.2	29.8	-34.9	0	0	0	107.8	I41 S151	I41-P153 HydrophobicContact CD1-CB 4.16Å; I41-P153 HydrophobicContact CD1-CG 3.7Å; I41-P153 HydrophobicContact CG2-CB 4.38Å; S151-P153 VanDerWaalsContact C-CD 3.45Å; S151-P153 WeakPolarHBondContact O-CD 3.31Å
154	G	60.6	Low	81.6	Confident	34 Å²	34	51.8 Å²	51.8	35%	0.351	31%	0.313	S	S	.	.			trans	-56	171.9	162.2	0	0	0	0	0	110.5	N152 S156 G157	N152-G154 PolarHBondContact O-N 2.92Å; G154-S156 PolarHBondContact O-N 3.39Å; G154-G157 PolarHBondContact O-N 3Å
155	A	63.1	Low	81.5	Confident	111 Å²	111	49.7 Å²	49.7	92%	0.917	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-25.4	-176.5	0	0	0	0	0	114.4	G157	A155-G157 VanDerWaalsContact C-N 3.31Å; A155-G157 PolarHBondContact O-N 3.3Å
156	S	69.1	Low	81.3	Confident	50 Å²	50	47.2 Å²	47.2	35%	0.35	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-15.8	177.4	62.6	0	0	0	0	114.4	G154 S158	G154-S156 PolarHBondContact O-N 3.39Å; S156-S158 PolarHBondContact O-N 3.12Å; S156-S158 WeakPolarHBondContact OG-CB 3.24Å; S156-S158 PolarHBondContact OG-N 3.32Å; S156-S158 PolarHBondContact OG-OG 2.81Å; S156-S158 VanDerWaalsContact OG-OG 3.08Å
157	G	77	Confident	81.1	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.26	C	S	.	.			trans	65.4	22.9	-168.6	0	0	0	0	0	113.5	I41 R44 Y54 G154 A155	I41-G157 WeakPolarHBondContact O-CA 3.44Å; R44-G157 WeakPolarHBondContact CB-O 3.44Å; Y54-G157 WeakPolarHBondContact CE2-O 3.47Å; G154-G157 PolarHBondContact O-N 3Å; A155-G157 VanDerWaalsContact C-N 3.31Å; A155-G157 PolarHBondContact O-N 3.3Å
158	S	85.4	Confident	81.1	Confident	7 Å²	7	43.6 Å²	43.6	5%	0.049	26%	0.258	C	S	.	.			trans	-64.3	144	173.6	55.9	0	0	0	0	111.2	S156 F160 T172	S156-S158 PolarHBondContact O-N 3.12Å; S156-S158 WeakPolarHBondContact OG-CB 3.24Å; S156-S158 PolarHBondContact OG-N 3.32Å; S156-S158 PolarHBondContact OG-OG 2.81Å; S156-S158 VanDerWaalsContact OG-OG 3.08Å; S158-F160 WeakPolarHBondContact OG-CE2 3.46Å; S158-T172 VanDerWaalsContact CA-OG1 3.29Å; S158-T172 WeakPolarHBondContact CA-OG1 3.31Å; S158-T172 WeakPolarHBondContact CB-O 3.24Å; S158-T172 WeakPolarHBondContact CB-OG1 3.47Å
159	I	89.3	Confident	81.2	Confident	2 Å²	2	39 Å²	39	1%	0.01	24%	0.237	C	C	.	.			trans	-85	139	168.3	-54.2	-61.4	0	0	0	108.9	R44 V52 Y54 T59 E149 Y161 T172	R44-I159 HydrophobicContact CB-CD1 4.16Å; R44-I159 HydrophobicContact CG-CD1 3.78Å; V52-I159 HydrophobicContact CG1-CD1 4.27Å; Y54-I159 HydrophobicContact CD2-CD1 4.19Å; Y54-I159 HydrophobicContact CD2-CG1 3.59Å; Y54-I159 HydrophobicContact CE2-CG1 4.35Å; Y54-I159 HydrophobicContact CG-CG1 3.79Å; T59-I159 HydrophobicContact CG2-CD1 4.14Å; T59-I159 HydrophobicContact CG2-CG1 4.29Å; E149-I159 HydrophobicContact CG-CG2 4.09Å; I159-Y161 HydrophobicContact CG2-CD1 4.25Å; I159-Y161 HydrophobicContact CG2-CD2 4.41Å; I159-Y161 HydrophobicContact CG2-CE1 3.68Å; I159-Y161 HydrophobicContact CG2-CE2 3.89Å; I159-Y161 VanDerWaalsContact CG2-CZ 3.49Å; I159-T172 HydrophobicContact CB-CG2 3.84Å; I159-T172 HydrophobicContact CG1-CG2 4.4Å; I159-T172 PolarHBondContact N-OG1 3.42Å; I159-T172 PolarHBondContact O-N 2.88Å; I159-T172 PolarHBondContact O-OG1 3.37Å
160	F	90.7	Very high	81.5	Confident	46 Å²	46	37 Å²	37	20%	0.202	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	130.4	170.8	-71.6	-98.4	0	0	0	108.5	L150 S158 I169 I170 K171	L150-F160 HydrophobicContact CB-CB 4.04Å; L150-F160 HydrophobicContact CD1-CB 4.13Å; L150-F160 HydrophobicContact CG-CB 4.37Å; L150-F160 PolarHBondContact N-O 2.87Å; S158-F160 WeakPolarHBondContact OG-CE2 3.46Å; F160-I169 HydrophobicContact CD1-CG2 3.8Å; F160-I169 HydrophobicContact CE1-CG2 4.45Å; F160-I170 CarbonylContact C-O 3.51Å; F160-I170 VanDerWaalsContact CA-O 3.31Å; F160-I170 WeakPolarHBondContact CA-O 3.49Å; F160-K171 HydrophobicContact CD1-CB 3.99Å; F160-K171 HydrophobicContact CD1-CD 4.39Å; F160-K171 HydrophobicContact CD1-CG 4Å; F160-K171 HydrophobicContact CE1-CB 3.91Å; F160-K171 HydrophobicContact CE1-CD 3.49Å; F160-K171 VanDerWaalsContact CE1-CD 3.49Å; F160-K171 HydrophobicContact CE1-CG 3.55Å; F160-K171 HydrophobicContact CE2-CG 4.41Å; F160-K171 HydrophobicContact CZ-CD 3.63Å; F160-K171 VanDerWaalsContact CZ-CE 3.48Å; F160-K171 HydrophobicContact CZ-CG 3.78Å
161	Y	92.6	Very high	81.9	Confident	2 Å²	2	36 Å²	36	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	149.3	163.2	-51.6	-68.6	0	0	0	109.6	T59 Q63 I66 L147 Q148 E149 I159 I169 I170	T59-Y161 WeakPolarHBondContact CB-OH 3.37Å; T59-Y161 PolarHBondContact O-OH 3.27Å; Q63-Y161 HydrophobicContact CG-CD1 3.82Å; Q63-Y161 HydrophobicContact CG-CE1 3.36Å; Q63-Y161 HydrophobicContact CG-CE2 4.21Å; Q63-Y161 HydrophobicContact CG-CG 4.42Å; I66-Y161 HydrophobicContact CD1-CD2 4.17Å; I66-Y161 HydrophobicContact CD1-CE2 3.79Å; L147-Y161 HydrophobicContact CB-CG 4.48Å; Q148-Y161 CarbonylContact O-C 3.53Å; Q148-Y161 VanDerWaalsContact O-CA 3.24Å; Q148-Y161 WeakPolarHBondContact O-CA 2.88Å; E149-Y161 HydrophobicContact CB-CD1 3.96Å; E149-Y161 HydrophobicContact CB-CE1 3.96Å; E149-Y161 HydrophobicContact CG-CD1 4.25Å; E149-Y161 HydrophobicContact CG-CE1 4.01Å; I159-Y161 HydrophobicContact CG2-CD1 4.25Å; I159-Y161 HydrophobicContact CG2-CD2 4.41Å; I159-Y161 HydrophobicContact CG2-CE1 3.68Å; I159-Y161 HydrophobicContact CG2-CE2 3.89Å; I159-Y161 VanDerWaalsContact CG2-CZ 3.49Å; Y161-I169 CarbonylContact O-C 3.6Å; Y161-I169 WeakPolarHBondContact O-CA 3.22Å; Y161-I170 HydrophobicContact CD2-CB 4.21Å; Y161-I170 HydrophobicContact CD2-CG2 4.2Å; Y161-I170 PolarHBondContact N-O 2.93Å; Y161-I170 PolarHBondContact O-N 2.8Å
162	I	91.3	Very high	83.3	Confident	10 Å²	10	32 Å²	32	5%	0.051	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143	171.2	-168.5	162.9	0	0	0	109	Q148 L150 D166 F168	Q148-I162 HydrophobicContact CB-CG2 3.74Å; Q148-I162 HydrophobicContact CG-CG2 4.18Å; Q148-I162 PolarHBondContact N-O 2.86Å; Q148-I162 PolarHBondContact O-N 3.48Å; L150-I162 HydrophobicContact CD1-CB 4.49Å; L150-I162 HydrophobicContact CD2-CG2 3.88Å; L150-I162 HydrophobicContact CG-CG2 4.24Å; I162-D166 HydrophobicContact CD1-CB 4.18Å; I162-D166 WeakPolarHBondContact CD1-OD1 3.44Å; I162-F168 WeakPolarHBondContact CA-O 3.3Å
163	S	93.1	Very high	84.7	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.007	17%	0.168	C	C	.	.			trans	-67.5	154.2	170.3	58.7	0	0	0	0	110.4	S141 D165 D166 E167 F168	S141-S163 WeakPolarHBondContact O-CB 3.43Å; S163-D165 WeakPolarHBondContact CB-OD1 3.32Å; S163-D165 PolarHBondContact O-N 2.74Å; S163-D165 PolarHBondContact OG-OD1 3.37Å; S163-D166 PolarHBondContact O-N 3.49Å; S163-E167 PolarHBondContact OG-N 2.93Å; S163-F168 PolarHBondContact N-O 3.45Å; S163-F168 PolarHBondContact OG-N 3.09Å
164	Q	90.5	Very high	86.4	Confident	114 Å²	114	29.6 Å²	29.6	53%	0.533	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.1	-175.8	179.7	173.3	18	0	0	113.1	Q145 D166	Q145-Q164 HydrophobicContact CB-CB 4.23Å; Q145-Q164 VanDerWaalsContact CB-OE1 3.32Å; Q145-Q164 VanDerWaalsContact CG-OE1 3.3Å; Q164-D166 VanDerWaalsContact C-N 3.34Å
165	D	87.2	Confident	87.9	Confident	36 Å²	36	32.6 Å²	32.6	19%	0.193	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	9.3	174.5	65.2	-9.9	0	0	0	113.9	S141 S163 E167 R446	S141-D165 WeakPolarHBondContact CB-OD2 3.24Å; S141-D165 PolarHBondContact OG-OD2 2.94Å; S163-D165 WeakPolarHBondContact CB-OD1 3.32Å; S163-D165 PolarHBondContact O-N 2.74Å; S163-D165 PolarHBondContact OG-OD1 3.37Å; D165-E167 PolarHBondContact O-N 2.66Å; D165-E167 VanDerWaalsContact O-N 3.09Å; D165-E167 PolarHBondContact OD1-N 2.8Å; D165-R446 IonicContact OD2-CZ 2.7Å; D165-R446 IonicContact OD2-NH1 3.4Å; D165-R446 IonicContact OD2-NH2 3.45Å; D165-R446 PolarHBondContact OD2-NH2 3.4Å
166	D	86.1	Confident	89.2	Confident	33 Å²	33	33.2 Å²	33.2	18%	0.176	16%	0.162	C	C	.	.	S	Bend	trans	61.3	7.8	178.1	-65.7	-42.9	0	0	0	116.8	I162 S163 Q164 N223 S227 Y450	I162-D166 HydrophobicContact CD1-CB 4.18Å; I162-D166 WeakPolarHBondContact CD1-OD1 3.44Å; S163-D166 PolarHBondContact O-N 3.49Å; Q164-D166 VanDerWaalsContact C-N 3.34Å; D166-N223 WeakPolarHBondContact O-CB 3.24Å; D166-N223 PolarHBondContact O-ND2 3.39Å; D166-S227 PolarHBondContact OD1-OG 2.89Å; D166-S227 WeakPolarHBondContact OD2-CB 3.43Å; D166-S227 PolarHBondContact OD2-OG 3.08Å; D166-Y450 PolarHBondContact O-OH 3Å
167	E	86.6	Confident	90.3	Very high	20 Å²	20	32.3 Å²	32.3	9%	0.093	15%	0.152	C	C	.	.			trans	-75.7	-33	-176	-67.5	-164.4	152.7	0	0	113.5	S163 D165 N223 R446 A449 Y450	S163-E167 PolarHBondContact OG-N 2.93Å; D165-E167 PolarHBondContact O-N 2.66Å; D165-E167 VanDerWaalsContact O-N 3.09Å; D165-E167 PolarHBondContact OD1-N 2.8Å; E167-N223 PolarHBondContact O-N 3.17Å; E167-R446 IonicContact OE1-CZ 3.64Å; E167-R446 IonicContact OE1-NE 2.84Å; E167-R446 PolarHBondContact OE1-NE 2.95Å; E167-R446 IonicContact OE1-NH2 3.44Å; E167-R446 PolarHBondContact OE1-NH2 3.01Å; E167-R446 IonicContact OE2-CZ 2.64Å; E167-R446 IonicContact OE2-NE 3.29Å; E167-R446 IonicContact OE2-NH2 3.87Å; E167-R446 PolarHBondContact OE2-NH2 2.97Å; E167-A449 HydrophobicContact CB-CB 4.42Å; E167-A449 HydrophobicContact CG-CB 4.41Å; E167-Y450 WeakPolarHBondContact CA-OH 2.94Å; E167-Y450 HydrophobicContact CG-CE2 4.46Å; E167-Y450 PolarHBondContact N-OH 3.46Å
168	F	92.8	Very high	91.2	Very high	1 Å²	1	32.3 Å²	32.3	0%	0.004	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.6	-170.6	-54.5	-73.2	0	0	0	112.3	L133 F138 L142 I162 S163 Y204	L133-F168 HydrophobicContact CD1-CE1 3.97Å; L133-F168 HydrophobicContact CD1-CZ 3.69Å; F138-F168 HydrophobicContact CD2-CD1 4.16Å; F138-F168 AromaticContact CD2-CE1 3.73Å; F138-F168 HydrophobicContact CD2-CE1 3.73Å; F138-F168 HydrophobicContact CD2-CE2 4.15Å; F138-F168 AromaticContact CD2-CZ 3.76Å; F138-F168 HydrophobicContact CD2-CZ 3.76Å; F138-F168 HydrophobicContact CE2-CD1 4.07Å; F138-F168 HydrophobicContact CE2-CE1 4.02Å; F138-F168 HydrophobicContact CE2-CZ 4.47Å; L142-F168 HydrophobicContact CD2-CB 3.62Å; L142-F168 HydrophobicContact CD2-CD2 4.15Å; L142-F168 HydrophobicContact CD2-CG 4.06Å; L142-F168 HydrophobicContact CG-CB 4.48Å; L142-F168 HydrophobicContact CG-CD2 4.28Å; L142-F168 HydrophobicContact CG-CG 4.41Å; I162-F168 WeakPolarHBondContact CA-O 3.3Å; S163-F168 PolarHBondContact N-O 3.45Å; S163-F168 PolarHBondContact OG-N 3.09Å; F168-Y204 AromaticContact CD1-CD2 3.65Å; F168-Y204 HydrophobicContact CD1-CD2 3.65Å; F168-Y204 AromaticContact CD1-CE2 3.49Å; F168-Y204 HydrophobicContact CD1-CE2 3.49Å; F168-Y204 VanDerWaalsContact CD1-CE2 3.49Å; F168-Y204 AromaticContact CE1-CD2 3.88Å; F168-Y204 HydrophobicContact CE1-CD2 3.88Å; F168-Y204 AromaticContact CE1-CE2 3.53Å; F168-Y204 HydrophobicContact CE1-CE2 3.53Å; F168-Y204 AromaticContact CE1-CZ 3.92Å
169	I	92.3	Very high	91.6	Very high	25 Å²	25	35.9 Å²	35.9	13%	0.128	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	135.2	169.4	-66.4	176.6	0	0	0	109.1	F160 Y161 V220 M221 N223	F160-I169 HydrophobicContact CD1-CG2 3.8Å; F160-I169 HydrophobicContact CE1-CG2 4.45Å; Y161-I169 CarbonylContact O-C 3.6Å; Y161-I169 WeakPolarHBondContact O-CA 3.22Å; I169-V220 WeakPolarHBondContact O-CA 3.13Å; I169-M221 HydrophobicContact CB-CG 4.19Å; I169-M221 HydrophobicContact CG2-CG 4.43Å; I169-M221 PolarHBondContact N-O 3.48Å; I169-M221 PolarHBondContact O-N 2.91Å; I169-N223 HydrophobicContact CD1-CB 4Å; I169-N223 HydrophobicContact CG1-CB 3.93Å
170	I	95	Very high	91.8	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.5	168.2	-55	174.9	0	0	0	108.2	I66 L142 L147 F160 Y161 F218 V219 V220	I66-I170 HydrophobicContact CD1-CG2 4.48Å; I66-I170 HydrophobicContact CG2-CD1 3.95Å; L142-I170 HydrophobicContact CD2-CD1 4.14Å; L142-I170 HydrophobicContact CD2-CG1 4.47Å; L147-I170 HydrophobicContact CD1-CD1 3.75Å; L147-I170 HydrophobicContact CD2-CD1 4.19Å; F160-I170 CarbonylContact C-O 3.51Å; F160-I170 VanDerWaalsContact CA-O 3.31Å; F160-I170 WeakPolarHBondContact CA-O 3.49Å; Y161-I170 HydrophobicContact CD2-CB 4.21Å; Y161-I170 HydrophobicContact CD2-CG2 4.2Å; Y161-I170 PolarHBondContact N-O 2.93Å; Y161-I170 PolarHBondContact O-N 2.8Å; I170-F218 HydrophobicContact CG2-CB 4.01Å; I170-F218 HydrophobicContact CG2-CD2 3.7Å; I170-F218 HydrophobicContact CG2-CG 4.17Å; I170-V219 CarbonylContact C-O 3.48Å; I170-V219 VanDerWaalsContact CA-O 3.3Å; I170-V219 WeakPolarHBondContact CA-O 3.37Å; I170-V220 HydrophobicContact CG1-CG1 4.49Å; I170-V220 HydrophobicContact CG1-CG2 4.21Å
171	K	92.7	Very high	92	Very high	33 Å²	33	34.5 Å²	34.5	14%	0.143	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.2	-179.3	-179.4	-177.9	-176.3	174.2	0	110.1	F160 F218 V219 D497	F160-K171 HydrophobicContact CD1-CB 3.99Å; F160-K171 HydrophobicContact CD1-CD 4.39Å; F160-K171 HydrophobicContact CD1-CG 4Å; F160-K171 HydrophobicContact CE1-CB 3.91Å; F160-K171 HydrophobicContact CE1-CD 3.49Å; F160-K171 VanDerWaalsContact CE1-CD 3.49Å; F160-K171 HydrophobicContact CE1-CG 3.55Å; F160-K171 HydrophobicContact CE2-CG 4.41Å; F160-K171 HydrophobicContact CZ-CD 3.63Å; F160-K171 VanDerWaalsContact CZ-CE 3.48Å; F160-K171 HydrophobicContact CZ-CG 3.78Å; K171-F218 CarbonylContact O-C 3.48Å; K171-F218 WeakPolarHBondContact O-CA 2.94Å; K171-F218 WeakPolarHBondContact O-CB 3.38Å; K171-V219 HydrophobicContact CB-CG2 4.03Å; K171-V219 PolarHBondContact N-O 3.24Å; K171-V219 PolarHBondContact O-N 3.02Å; K171-D497 IonicContact NZ-OD1 3.68Å; K171-D497 PolarHBondContact NZ-OD1 3.31Å
172	T	93.9	Very high	92.1	Very high	6 Å²	6	36 Å²	36	4%	0.037	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135	168.7	62.3	0	0	0	0	110.3	Y54 S158 I159 I216 R217	Y54-T172 HydrophobicContact CD1-CG2 4.28Å; Y54-T172 HydrophobicContact CE1-CG2 4.06Å; S158-T172 VanDerWaalsContact CA-OG1 3.29Å; S158-T172 WeakPolarHBondContact CA-OG1 3.31Å; S158-T172 WeakPolarHBondContact CB-O 3.24Å; S158-T172 WeakPolarHBondContact CB-OG1 3.47Å; I159-T172 HydrophobicContact CB-CG2 3.84Å; I159-T172 HydrophobicContact CG1-CG2 4.4Å; I159-T172 PolarHBondContact N-OG1 3.42Å; I159-T172 PolarHBondContact O-N 2.88Å; I159-T172 PolarHBondContact O-OG1 3.37Å; T172-I216 HydrophobicContact CG2-CG2 4.17Å; T172-R217 CarbonylContact C-O 3.42Å; T172-R217 VanDerWaalsContact CA-O 3.29Å; T172-R217 WeakPolarHBondContact CA-O 3.39Å
173	V	93.3	Very high	92.1	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.012	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	151.8	178.3	-61.3	0	0	0	0	110.8	E177 L206 R217 V219 L499	V173-E177 HydrophobicContact CB-CB 4.07Å; V173-L206 HydrophobicContact CG2-CD1 4.44Å; V173-R217 HydrophobicContact CG2-CB 3.63Å; V173-R217 PolarHBondContact N-O 3.47Å; V173-V219 HydrophobicContact CG1-CG1 4.06Å; V173-V219 HydrophobicContact CG1-CG2 3.95Å; V173-V219 HydrophobicContact CG2-CG1 4.34Å; V173-L499 HydrophobicContact CG1-CD1 3.88Å
174	Q	91.4	Very high	92.1	Very high	87 Å²	87	41.9 Å²	41.9	41%	0.407	19%	0.194	S	C	.	.			trans	-70.5	163.9	174.8	-59.9	-176.3	22.7	0	0	111	K176 E177 G178	Q174-K176 VanDerWaalsContact C-N 3.32Å; Q174-K176 PolarHBondContact O-N 3.01Å; Q174-E177 HydrophobicContact CB-CB 4.41Å; Q174-E177 HydrophobicContact CB-CG 4.14Å; Q174-E177 WeakPolarHBondContact CB-OE2 3.41Å; Q174-E177 WeakPolarHBondContact CG-OE2 2.83Å; Q174-E177 PolarHBondContact N-OE2 3.05Å; Q174-E177 PolarHBondContact O-N 3.13Å; Q174-G178 PolarHBondContact O-N 2.95Å
175	H	92.3	Very high	92.4	Very high	96 Å²	96	36.5 Å²	36.5	44%	0.444	17%	0.169	S	C	.	.	H	α-helix	trans	-57.1	-46.2	179.3	-179.6	15.6	0	0	0	112.2	G178 E179 R217	H175-G178 PolarHBondContact O-N 3.44Å; H175-E179 VanDerWaalsContact CE1-CD 3.4Å; H175-E179 IonicContact CE1-OE1 3.26Å; H175-E179 PolarHBondContact CE1-OE1 3.42Å; H175-E179 IonicContact ND1-OE1 2.73Å; H175-E179 IonicContact NE2-OE1 3Å; H175-E179 WeakPolarHBondContact O-CG 3.5Å; H175-E179 PolarHBondContact O-N 2.89Å; H175-R217 PolarHBondContact ND1-NE 2.88Å; H175-R217 PolarHBondContact ND1-NH2 2.89Å
176	K	91	Very high	92.6	Very high	125 Å²	125	35.4 Å²	35.4	54%	0.543	16%	0.164	S	C	.	.	H	α-helix	trans	-65.6	-37.5	179.7	-65.9	-179.1	176.8	178.4	0	112.1	Q174 F180 V504	Q174-K176 VanDerWaalsContact C-N 3.32Å; Q174-K176 PolarHBondContact O-N 3.01Å; K176-F180 VanDerWaalsContact O-CB 3.26Å; K176-F180 WeakPolarHBondContact O-CB 3.4Å; K176-F180 PolarHBondContact O-N 3.15Å; K176-V504 HydrophobicContact CD-CG1 4.38Å; K176-V504 HydrophobicContact CD-CG2 4.31Å
177	E	92.9	Very high	92.8	Very high	30 Å²	30	37 Å²	37	14%	0.14	17%	0.17	C	C	.	.	H	α-helix	trans	-67.1	-42.6	176.6	-67.6	175.6	143.5	0	0	111.4	V173 Q174 F180 L181 L499	V173-E177 HydrophobicContact CB-CB 4.07Å; Q174-E177 HydrophobicContact CB-CB 4.41Å; Q174-E177 HydrophobicContact CB-CG 4.14Å; Q174-E177 WeakPolarHBondContact CB-OE2 3.41Å; Q174-E177 WeakPolarHBondContact CG-OE2 2.83Å; Q174-E177 PolarHBondContact N-OE2 3.05Å; Q174-E177 PolarHBondContact O-N 3.13Å; E177-F180 PolarHBondContact O-N 3.38Å; E177-L181 PolarHBondContact O-N 2.89Å; E177-L499 HydrophobicContact CB-CB 4.12Å; E177-L499 HydrophobicContact CB-CD1 4.35Å; E177-L499 HydrophobicContact CG-CB 4.23Å
178	G	94.2	Very high	93.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.7	-41.4	176.1	0	0	0	0	0	113.2	Q174 H175 F180 L181 Q182	Q174-G178 PolarHBondContact O-N 2.95Å; H175-G178 PolarHBondContact O-N 3.44Å; G178-F180 VanDerWaalsContact C-N 3.32Å; G178-L181 PolarHBondContact O-N 3.39Å; G178-Q182 PolarHBondContact O-N 2.99Å; G178-Q182 VanDerWaalsContact O-N 3.09Å
179	E	93.5	Very high	93.1	Very high	82 Å²	82	38.5 Å²	38.5	38%	0.383	18%	0.177	S	C	.	.	H	α-helix	trans	-65.4	-37.2	173.3	-72.8	-174.9	156.3	0	0	112.5	H175 Q182 K183	H175-E179 VanDerWaalsContact CE1-CD 3.4Å; H175-E179 IonicContact CE1-OE1 3.26Å; H175-E179 PolarHBondContact CE1-OE1 3.42Å; H175-E179 IonicContact ND1-OE1 2.73Å; H175-E179 IonicContact NE2-OE1 3Å; H175-E179 WeakPolarHBondContact O-CG 3.5Å; H175-E179 PolarHBondContact O-N 2.89Å; E179-Q182 PolarHBondContact O-N 3.46Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 2.92Å
180	F	93.7	Very high	93	Very high	20 Å²	20	41.9 Å²	41.9	9%	0.088	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-45.3	176.7	179.1	-107.9	0	0	0	111.4	K176 E177 G178 Q182 K183 L184 F295 I297 L499	K176-F180 VanDerWaalsContact O-CB 3.26Å; K176-F180 WeakPolarHBondContact O-CB 3.4Å; K176-F180 PolarHBondContact O-N 3.15Å; E177-F180 PolarHBondContact O-N 3.38Å; G178-F180 VanDerWaalsContact C-N 3.32Å; F180-Q182 VanDerWaalsContact C-N 3.3Å; F180-Q182 PolarHBondContact O-N 3.32Å; F180-K183 PolarHBondContact O-N 2.98Å; F180-K183 VanDerWaalsContact O-N 3.12Å; F180-L184 PolarHBondContact O-N 2.87Å; F180-F295 HydrophobicContact CE2-CD1 4.21Å; F180-F295 HydrophobicContact CZ-CB 4.19Å; F180-F295 HydrophobicContact CZ-CD1 4.19Å; F180-I297 HydrophobicContact CE1-CD1 3.84Å; F180-I297 HydrophobicContact CE1-CG1 3.78Å; F180-I297 HydrophobicContact CZ-CD1 3.74Å; F180-I297 HydrophobicContact CZ-CG1 3.49Å; F180-I297 VanDerWaalsContact CZ-CG1 3.49Å; F180-L499 HydrophobicContact CD1-CD2 4.43Å; F180-L499 WeakPolarHBondContact CD1-O 3.48Å
181	L	95.3	Very high	92.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57.7	-43.6	175	179	54.1	0	0	0	111.4	E177 G178 K183 L184 L185 Y203 L206 V219 L499	E177-L181 PolarHBondContact O-N 2.89Å; G178-L181 PolarHBondContact O-N 3.39Å; L181-K183 VanDerWaalsContact C-N 3.27Å; L181-K183 PolarHBondContact O-N 3.21Å; L181-L184 HydrophobicContact CD1-CD2 4.28Å; L181-L184 WeakPolarHBondContact O-CB 3.46Å; L181-L184 PolarHBondContact O-N 3.34Å; L181-L185 HydrophobicContact CD1-CD2 4Å; L181-L185 HydrophobicContact CG-CD2 4.28Å; L181-L185 WeakPolarHBondContact O-CG 3.31Å; L181-L185 PolarHBondContact O-N 3.2Å; L181-Y203 HydrophobicContact CD1-CD2 3.99Å; L181-Y203 HydrophobicContact CD1-CE2 3.72Å; L181-Y203 HydrophobicContact CD2-CD1 4.31Å; L181-Y203 HydrophobicContact CD2-CE1 4.26Å; L181-L206 HydrophobicContact CB-CD2 4.48Å; L181-L206 HydrophobicContact CD2-CB 4.5Å; L181-L206 HydrophobicContact CD2-CD1 4.34Å; L181-L206 HydrophobicContact CD2-CD2 4.22Å; L181-L206 HydrophobicContact CG-CD2 4.34Å; L181-V219 HydrophobicContact CD2-CG1 3.49Å; L181-V219 VanDerWaalsContact CD2-CG1 3.49Å; L181-L499 HydrophobicContact CB-CD2 3.82Å; L181-L499 HydrophobicContact CD1-CD2 3.99Å; L181-L499 HydrophobicContact CD2-CD2 4.47Å; L181-L499 HydrophobicContact CG-CD2 4.29Å
182	Q	94.7	Very high	92.6	Very high	34 Å²	34	40.7 Å²	40.7	16%	0.159	19%	0.188	C	C	.	.	H	α-helix	trans	-59	-39.5	177.4	-170.1	172.6	24.2	0	0	112.3	F90 S91 G178 E179 F180 L184 L185	F90-Q182 WeakPolarHBondContact O-CG 3.38Å; F90-Q182 PolarHBondContact O-NE2 2.99Å; F90-Q182 VanDerWaalsContact O-NE2 3.08Å; S91-Q182 PolarHBondContact O-NE2 3.36Å; G178-Q182 PolarHBondContact O-N 2.99Å; G178-Q182 VanDerWaalsContact O-N 3.09Å; E179-Q182 PolarHBondContact O-N 3.46Å; F180-Q182 VanDerWaalsContact C-N 3.3Å; F180-Q182 PolarHBondContact O-N 3.32Å; Q182-L184 VanDerWaalsContact C-N 3.31Å; Q182-L185 PolarHBondContact O-N 3.31Å
183	K	92.6	Very high	92.4	Very high	131 Å²	131	44.5 Å²	44.5	57%	0.57	21%	0.207	S	C	*	.	H	α-helix	trans	-71.9	-23.2	175.8	-69.2	170.1	-176.4	169.1	0	113.5	E179 F180 L181	E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 2.92Å; F180-K183 PolarHBondContact O-N 2.98Å; F180-K183 VanDerWaalsContact O-N 3.12Å; L181-K183 VanDerWaalsContact C-N 3.27Å; L181-K183 PolarHBondContact O-N 3.21Å
184	L	93.2	Very high	92.1	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.016	24%	0.235	C	C	.	.	H	α-helix	trans	-80.4	-21.1	178	174.9	64	0	0	0	112.7	F180 L181 Q182 P186 E187 Y188 F295 I297 I498	F180-L184 PolarHBondContact O-N 2.87Å; L181-L184 HydrophobicContact CD1-CD2 4.28Å; L181-L184 WeakPolarHBondContact O-CB 3.46Å; L181-L184 PolarHBondContact O-N 3.34Å; Q182-L184 VanDerWaalsContact C-N 3.31Å; L184-P186 VanDerWaalsContact C-CD 3.48Å; L184-E187 PolarHBondContact O-N 3.23Å; L184-Y188 VanDerWaalsContact O-CB 3.26Å; L184-Y188 WeakPolarHBondContact O-CB 3.43Å; L184-Y188 PolarHBondContact O-N 3Å; L184-F295 HydrophobicContact CB-CD1 4.48Å; L184-F295 HydrophobicContact CB-CE1 4.14Å; L184-F295 HydrophobicContact CB-CZ 4.48Å; L184-F295 HydrophobicContact CD1-CD1 3.75Å; L184-F295 HydrophobicContact CD1-CD2 3.51Å; L184-F295 HydrophobicContact CD1-CE1 3.7Å; L184-F295 HydrophobicContact CD1-CE2 3.46Å; L184-F295 VanDerWaalsContact CD1-CE2 3.46Å; L184-F295 HydrophobicContact CD1-CG 3.63Å; L184-F295 HydrophobicContact CD1-CZ 3.52Å; L184-I297 HydrophobicContact CD1-CD1 4.4Å; L184-I297 HydrophobicContact CD2-CD1 4.37Å; L184-I498 HydrophobicContact CD2-CD1 4.1Å
185	L	94.9	Very high	91.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-56.8	-41.5	-170.9	-61.7	-176	0	0	0	115.7	F90 A120 F124 F127 L181 Q182 E187 Y188 F189	F90-L185 HydrophobicContact CD1-CB 3.44Å; F90-L185 VanDerWaalsContact CD1-CB 3.44Å; F90-L185 HydrophobicContact CD1-CD1 4.22Å; F90-L185 HydrophobicContact CD1-CG 4.48Å; F90-L185 HydrophobicContact CE1-CB 3.94Å; F90-L185 HydrophobicContact CG-CB 4.25Å; A120-L185 HydrophobicContact CB-CD1 3.62Å; F124-L185 HydrophobicContact CE2-CD1 4.06Å; F124-L185 HydrophobicContact CZ-CD1 4.29Å; F124-L185 HydrophobicContact CZ-CD2 4.03Å; F127-L185 HydrophobicContact CE2-CD2 4.08Å; L181-L185 HydrophobicContact CD1-CD2 4Å; L181-L185 HydrophobicContact CG-CD2 4.28Å; L181-L185 WeakPolarHBondContact O-CG 3.31Å; L181-L185 PolarHBondContact O-N 3.2Å; Q182-L185 PolarHBondContact O-N 3.31Å; L185-E187 PolarHBondContact O-N 2.9Å; L185-Y188 PolarHBondContact O-N 2.61Å; L185-F189 WeakPolarHBondContact O-CB 3.42Å; L185-F189 PolarHBondContact O-N 2.74Å
186	P	93.1	Very high	91.6	Very high	14 Å²	14	47 Å²	47	9%	0.091	23%	0.225	C	C	.	.	H	α-helix	trans	-63	-44.7	-177.7	-19.8	31.1	0	0	0	112.6	Y87 F90 L184 F189 M190	Y87-P186 HydrophobicContact CD2-CB 4.39Å; Y87-P186 HydrophobicContact CE2-CB 3.91Å; Y87-P186 HydrophobicContact CE2-CG 3.98Å; F90-P186 HydrophobicContact CB-CG 4.26Å; F90-P186 HydrophobicContact CD2-CB 4.06Å; F90-P186 HydrophobicContact CD2-CG 3.78Å; F90-P186 HydrophobicContact CE2-CB 4Å; F90-P186 HydrophobicContact CE2-CG 4.23Å; F90-P186 HydrophobicContact CG-CG 3.95Å; F90-P186 HydrophobicContact CZ-CB 4.44Å; L184-P186 VanDerWaalsContact C-CD 3.48Å; P186-F189 WeakPolarHBondContact O-CB 2.9Å; P186-F189 PolarHBondContact O-N 3.47Å; P186-M190 WeakPolarHBondContact O-CG 3.38Å; P186-M190 PolarHBondContact O-N 2.69Å
187	E	90.2	Very high	91.2	Very high	66 Å²	66	44.3 Å²	44.3	31%	0.308	21%	0.211	S	C	.	.	H	α-helix	trans	-78	-32.5	179.9	-66.7	77.6	169.1	0	0	112	L184 L185 F189 M190 N191 F295	L184-E187 PolarHBondContact O-N 3.23Å; L185-E187 PolarHBondContact O-N 2.9Å; E187-F189 VanDerWaalsContact C-N 3.28Å; E187-F189 PolarHBondContact O-N 2.87Å; E187-M190 HydrophobicContact CB-CE 4.03Å; E187-M190 HydrophobicContact CG-CE 3.65Å; E187-M190 PolarHBondContact O-N 2.99Å; E187-N191 PolarHBondContact O-N 2.91Å; E187-F295 HydrophobicContact CB-CE2 3.26Å; E187-F295 HydrophobicContact CB-CZ 3.42Å; E187-F295 VanDerWaalsContact CB-CZ 3.42Å; E187-F295 HydrophobicContact CG-CE2 3.48Å; E187-F295 VanDerWaalsContact CG-CE2 3.48Å; E187-F295 HydrophobicContact CG-CZ 3.42Å; E187-F295 VanDerWaalsContact CG-CZ 3.42Å; E187-F295 WeakPolarHBondContact OE2-CZ 3.34Å
188	Y	92.2	Very high	91.2	Very high	2 Å²	2	43 Å²	43	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-58.7	-43.6	168.1	-179.5	-96.5	0	0	0	110.9	F127 Y131 L184 L185 N191 L192 L200 P201 K202 Y203	F127-Y188 HydrophobicContact CD1-CE1 4.48Å; F127-Y188 AromaticContact CE1-CD1 4Å; F127-Y188 HydrophobicContact CE1-CD1 4Å; F127-Y188 HydrophobicContact CE1-CE1 4.3Å; F127-Y188 HydrophobicContact CE2-CD1 4.22Å; F127-Y188 HydrophobicContact CE2-CE1 4.46Å; F127-Y188 AromaticContact CZ-CD1 3.8Å; F127-Y188 HydrophobicContact CZ-CD1 3.8Å; F127-Y188 HydrophobicContact CZ-CE1 4.32Å; Y131-Y188 VanDerWaalsContact OH-CE1 3.32Å; Y131-Y188 WeakPolarHBondContact OH-CE1 3.2Å; Y131-Y188 PolarHBondContact OH-OH 3.02Å; L184-Y188 VanDerWaalsContact O-CB 3.26Å; L184-Y188 WeakPolarHBondContact O-CB 3.43Å; L184-Y188 PolarHBondContact O-N 3Å; L185-Y188 PolarHBondContact O-N 2.61Å; Y188-N191 PolarHBondContact O-N 2.99Å; Y188-L192 WeakPolarHBondContact O-CB 3.47Å; Y188-L192 PolarHBondContact O-N 3.22Å; Y188-L200 HydrophobicContact CD2-CD1 4.34Å; Y188-L200 HydrophobicContact CE2-CB 4.12Å; Y188-L200 HydrophobicContact CE2-CD1 4.42Å; Y188-P201 PolarHBondContact OH-O 3.22Å; Y188-K202 WeakPolarHBondContact OH-CA 3.49Å; Y188-Y203 HydrophobicContact CE1-CD2 4.39Å; Y188-Y203 HydrophobicContact CE2-CD2 4.21Å; Y188-Y203 HydrophobicContact CE2-CE2 4.38Å
189	F	91.9	Very high	91.2	Very high	50 Å²	50	43.4 Å²	43.4	22%	0.219	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-48.1	173.4	172.2	-102.2	0	0	0	111.6	L85 F90 F127 L185 P186 E187 N191 L192 M193	L85-F189 HydrophobicContact CD2-CD1 4.47Å; L85-F189 HydrophobicContact CD2-CD2 3.76Å; L85-F189 HydrophobicContact CD2-CE1 4.48Å; L85-F189 HydrophobicContact CD2-CE2 3.79Å; L85-F189 HydrophobicContact CD2-CG 4.12Å; L85-F189 HydrophobicContact CD2-CZ 4.15Å; F90-F189 HydrophobicContact CE1-CB 4.19Å; F90-F189 HydrophobicContact CZ-CB 3.92Å; F90-F189 HydrophobicContact CZ-CD1 4.3Å; F90-F189 HydrophobicContact CZ-CG 4.12Å; F127-F189 HydrophobicContact CD1-CD2 4.38Å; F127-F189 HydrophobicContact CE1-CB 3.72Å; F127-F189 AromaticContact CE1-CD2 3.8Å; F127-F189 HydrophobicContact CE1-CD2 3.8Å; F127-F189 HydrophobicContact CE1-CG 4.25Å; F127-F189 HydrophobicContact CZ-CB 4.13Å; L185-F189 WeakPolarHBondContact O-CB 3.42Å; L185-F189 PolarHBondContact O-N 2.74Å; P186-F189 WeakPolarHBondContact O-CB 2.9Å; P186-F189 PolarHBondContact O-N 3.47Å; E187-F189 VanDerWaalsContact C-N 3.28Å; E187-F189 PolarHBondContact O-N 2.87Å; F189-N191 VanDerWaalsContact C-N 3.33Å; F189-N191 PolarHBondContact O-N 3.3Å; F189-L192 PolarHBondContact O-N 3.42Å; F189-M193 HydrophobicContact CD1-CG 4.46Å; F189-M193 HydrophobicContact CD2-CE 4.37Å; F189-M193 HydrophobicContact CD2-CG 4.13Å; F189-M193 HydrophobicContact CE1-CG 4.06Å; F189-M193 HydrophobicContact CE2-CE 4.06Å; F189-M193 HydrophobicContact CE2-CG 3.68Å; F189-M193 HydrophobicContact CE2-SD 3.86Å; F189-M193 HydrophobicContact CZ-CG 3.65Å; F189-M193 HydrophobicContact CZ-SD 4.12Å; F189-M193 WeakPolarHBondContact O-CG 3.17Å; F189-M193 PolarHBondContact O-N 3.26Å
190	M	91.3	Very high	91.2	Very high	97 Å²	97	39.7 Å²	39.7	48%	0.478	19%	0.191	S	C	.	.	H	α-helix	trans	-58.2	-44	176.4	-70.1	-169	-69	0	0	112.2	P186 E187 M193 Q194	P186-M190 WeakPolarHBondContact O-CG 3.38Å; P186-M190 PolarHBondContact O-N 2.69Å; E187-M190 HydrophobicContact CB-CE 4.03Å; E187-M190 HydrophobicContact CG-CE 3.65Å; E187-M190 PolarHBondContact O-N 2.99Å; M190-M193 PolarHBondContact O-N 3.01Å; M190-Q194 WeakPolarHBondContact O-CG 3.18Å; M190-Q194 PolarHBondContact O-N 2.98Å; M190-Q194 VanDerWaalsContact O-N 3.09Å
191	N	90.1	Very high	91.2	Very high	7 Å²	7	39 Å²	39	4%	0.037	19%	0.188	C	C	.	.	H	α-helix	trans	-62.9	-44.2	176.9	-171.6	51.4	0	0	0	111.6	E187 Y188 F189 M193 Q194 H195 T198 D288 V291	E187-N191 PolarHBondContact O-N 2.91Å; Y188-N191 PolarHBondContact O-N 2.99Å; F189-N191 VanDerWaalsContact C-N 3.33Å; F189-N191 PolarHBondContact O-N 3.3Å; N191-M193 VanDerWaalsContact C-N 3.34Å; N191-M193 PolarHBondContact O-N 3.22Å; N191-Q194 PolarHBondContact O-N 3.09Å; N191-H195 CarbonylContact O-C 3.53Å; N191-H195 WeakPolarHBondContact O-CA 3.48Å; N191-H195 VanDerWaalsContact O-CB 3.3Å; N191-H195 WeakPolarHBondContact O-CB 3.46Å; N191-H195 PolarHBondContact O-N 2.88Å; N191-H195 PolarHBondContact OD1-ND1 2.84Å; N191-T198 PolarHBondContact ND2-OG1 2.94Å; N191-T198 VanDerWaalsContact ND2-OG1 3.17Å; N191-D288 PolarHBondContact ND2-OD1 2.81Å; N191-V291 HydrophobicContact CB-CG2 3.8Å
192	L	89.6	Confident	91.2	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-40.8	-179.6	-177.6	61.5	0	0	0	112.1	F127 Y131 Y188 F189 H195 T198	F127-L192 HydrophobicContact CD1-CD2 3.78Å; F127-L192 HydrophobicContact CE1-CD2 4.44Å; Y131-L192 HydrophobicContact CD1-CD1 4.26Å; Y131-L192 HydrophobicContact CD1-CD2 4.47Å; Y131-L192 HydrophobicContact CE1-CD1 3.53Å; Y131-L192 HydrophobicContact CE1-CD2 3.64Å; Y131-L192 HydrophobicContact CE1-CG 4.24Å; Y188-L192 WeakPolarHBondContact O-CB 3.47Å; Y188-L192 PolarHBondContact O-N 3.22Å; F189-L192 PolarHBondContact O-N 3.42Å; L192-H195 CarbonylContact O-C 3.5Å; L192-T198 HydrophobicContact CD1-CG2 4.16Å
193	M	88	Confident	91.2	Very high	85 Å²	85	38 Å²	38	42%	0.419	18%	0.183	S	C	.	.	H	α-helix	trans	-69.4	-39.7	179	-66.3	-58	99.2	0	0	112.6	S130 F189 M190 N191	S130-M193 VanDerWaalsContact OG-CE 3.32Å; S130-M193 WeakPolarHBondContact OG-CE 3.49Å; F189-M193 HydrophobicContact CD1-CG 4.46Å; F189-M193 HydrophobicContact CD2-CE 4.37Å; F189-M193 HydrophobicContact CD2-CG 4.13Å; F189-M193 HydrophobicContact CE1-CG 4.06Å; F189-M193 HydrophobicContact CE2-CE 4.06Å; F189-M193 HydrophobicContact CE2-CG 3.68Å; F189-M193 HydrophobicContact CE2-SD 3.86Å; F189-M193 HydrophobicContact CZ-CG 3.65Å; F189-M193 HydrophobicContact CZ-SD 4.12Å; F189-M193 WeakPolarHBondContact O-CG 3.17Å; F189-M193 PolarHBondContact O-N 3.26Å; M190-M193 PolarHBondContact O-N 3.01Å; N191-M193 VanDerWaalsContact C-N 3.34Å; N191-M193 PolarHBondContact O-N 3.22Å
194	Q	88.5	Confident	91.4	Very high	131 Å²	131	31.9 Å²	31.9	61%	0.612	16%	0.156	S	C	*	.	H	α-helix	trans	-79.5	-31.5	179.2	-66.2	177.7	18.3	0	0	112.3	M190 N191	M190-Q194 WeakPolarHBondContact O-CG 3.18Å; M190-Q194 PolarHBondContact O-N 2.98Å; M190-Q194 VanDerWaalsContact O-N 3.09Å; N191-Q194 PolarHBondContact O-N 3.09Å
195	H	87.2	Confident	91.6	Very high	28 Å²	28	31.8 Å²	31.8	13%	0.13	16%	0.156	C	C	.	.			trans	-135.6	73.9	-170.5	-48.9	119.5	0	0	0	111.6	N191 L192 R197 T198 R287	N191-H195 CarbonylContact O-C 3.53Å; N191-H195 WeakPolarHBondContact O-CA 3.48Å; N191-H195 VanDerWaalsContact O-CB 3.3Å; N191-H195 WeakPolarHBondContact O-CB 3.46Å; N191-H195 PolarHBondContact O-N 2.88Å; N191-H195 PolarHBondContact OD1-ND1 2.84Å; L192-H195 CarbonylContact O-C 3.5Å; H195-R197 PolarHBondContact O-N 2.87Å; H195-T198 WeakPolarHBondContact O-CB 3.49Å; H195-T198 PolarHBondContact O-N 3.42Å; H195-R287 VanDerWaalsContact CD2-CD 3.42Å; H195-R287 WeakPolarHBondContact CD2-CD 3.49Å; H195-R287 PolarHBondContact CD2-NH1 3.12Å; H195-R287 WeakPolarHBondContact NE2-CD 3.14Å; H195-R287 PolarHBondContact NE2-NE 3.5Å; H195-R287 VanDerWaalsContact NE2-NE 3.18Å; H195-R287 PolarHBondContact NE2-NH1 2.93Å
196	P	85	Confident	91.8	Very high	78 Å²	78	31.8 Å²	31.8	51%	0.506	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.9	179.4	-25.1	34.8	0	0	0	114.7	T198 T452	P196-T198 VanDerWaalsContact C-N 3.34Å; P196-T452 PolarHBondContact O-OG1 3.09Å
197	R	83	Confident	92.1	Very high	69 Å²	69	31.1 Å²	31.1	26%	0.26	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	0.7	177.9	-70.6	-168.4	-62.4	-168.6	3.9	114.9	H195 L199 T284 S456	H195-R197 PolarHBondContact O-N 2.87Å; R197-L199 PolarHBondContact O-N 2.83Å; R197-T284 HydrophobicContact CB-CG2 4.44Å; R197-T284 WeakPolarHBondContact O-CG2 3.38Å; R197-S456 WeakPolarHBondContact CD-OG 3Å; R197-S456 WeakPolarHBondContact CG-OG 3.47Å
198	T	92.5	Very high	92.5	Very high	4 Å²	4	28 Å²	28	3%	0.025	14%	0.137	C	C	.	.			trans	-45.7	136.4	179.4	-179.1	0	0	0	0	112.3	N191 L192 H195 P196 L200 D288	N191-T198 PolarHBondContact ND2-OG1 2.94Å; N191-T198 VanDerWaalsContact ND2-OG1 3.17Å; L192-T198 HydrophobicContact CD1-CG2 4.16Å; H195-T198 WeakPolarHBondContact O-CB 3.49Å; H195-T198 PolarHBondContact O-N 3.42Å; P196-T198 VanDerWaalsContact C-N 3.34Å; T198-L200 VanDerWaalsContact C-N 3.3Å; T198-L200 WeakPolarHBondContact OG1-CB 3.48Å; T198-L200 VanDerWaalsContact OG1-CG 3.29Å; T198-L200 WeakPolarHBondContact OG1-CG 3.33Å; T198-L200 PolarHBondContact OG1-N 3.45Å; T198-D288 VanDerWaalsContact CB-OD1 3.3Å; T198-D288 WeakPolarHBondContact CB-OD1 3.44Å; T198-D288 VanDerWaalsContact OG1-CG 3.25Å; T198-D288 PolarHBondContact OG1-OD1 2.8Å; T198-D288 PolarHBondContact OG1-OD2 2.84Å
199	L	94.3	Very high	92.7	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.037	14%	0.136	C	C	.	.			trans	-85.9	-3.4	174.5	-61	179.3	0	0	0	112.1	R197 L281 T284 I285 D288 L302 I493 V495	R197-L199 PolarHBondContact O-N 2.83Å; L199-L281 HydrophobicContact CD1-CD1 3.87Å; L199-T284 HydrophobicContact CG-CG2 3.98Å; L199-I285 HydrophobicContact CD1-CD1 4.36Å; L199-I285 HydrophobicContact CD1-CG1 3.62Å; L199-D288 WeakPolarHBondContact CA-OD2 3.29Å; L199-D288 WeakPolarHBondContact CB-OD2 3.26Å; L199-D288 PolarHBondContact N-OD2 2.93Å; L199-L302 HydrophobicContact CD1-CD1 4.3Å; L199-I493 HydrophobicContact CD1-CD1 4Å; L199-I493 HydrophobicContact CD2-CD1 3.96Å; L199-I493 HydrophobicContact CD2-CG1 4.02Å; L199-V495 HydrophobicContact CB-CG2 4.05Å; L199-V495 PolarHBondContact O-N 2.8Å
200	L	94.5	Very high	93	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.026	13%	0.132	C	C	.	.	S	Bend	trans	-61.4	152.9	174.8	-60.8	-177.6	0	0	0	110.8	Y188 T198 K202 D288 V291 L292 V495 I498	Y188-L200 HydrophobicContact CD2-CD1 4.34Å; Y188-L200 HydrophobicContact CE2-CB 4.12Å; Y188-L200 HydrophobicContact CE2-CD1 4.42Å; T198-L200 VanDerWaalsContact C-N 3.3Å; T198-L200 WeakPolarHBondContact OG1-CB 3.48Å; T198-L200 VanDerWaalsContact OG1-CG 3.29Å; T198-L200 WeakPolarHBondContact OG1-CG 3.33Å; T198-L200 PolarHBondContact OG1-N 3.45Å; L200-K202 PolarHBondContact O-N 2.87Å; L200-D288 HydrophobicContact CD2-CB 4.08Å; L200-D288 HydrophobicContact CG-CB 4.18Å; L200-V291 HydrophobicContact CD1-CG1 4.33Å; L200-L292 HydrophobicContact CD2-CD1 3.96Å; L200-L292 HydrophobicContact CD2-CD2 3.9Å; L200-L292 HydrophobicContact CD2-CG 4.01Å; L200-V495 HydrophobicContact CD2-CB 4.27Å; L200-V495 HydrophobicContact CD2-CG1 4.33Å; L200-I498 HydrophobicContact CD2-CG2 4.39Å
201	P	93.8	Very high	93.1	Very high	4 Å²	4	22.7 Å²	22.7	3%	0.026	11%	0.113	C	C	.	.			trans	-53.6	134.2	177.7	-26.4	36.1	0	0	0	111.5	Y188 Y203 M221 V495 I498	Y188-P201 PolarHBondContact OH-O 3.22Å; P201-Y203 HydrophobicContact CB-CE1 4.03Å; P201-Y203 HydrophobicContact CB-CE2 4.1Å; P201-Y203 PolarHBondContact O-N 3.38Å; P201-M221 HydrophobicContact CB-CE 3.92Å; P201-M221 HydrophobicContact CG-CE 4.47Å; P201-V495 VanDerWaalsContact CD-O 3.23Å; P201-V495 WeakPolarHBondContact CD-O 3.41Å; P201-V495 VanDerWaalsContact CG-O 3.31Å; P201-V495 WeakPolarHBondContact CG-O 3.48Å; P201-I498 HydrophobicContact CG-CD1 4.21Å; P201-I498 HydrophobicContact CG-CG1 4.13Å
202	K	93.6	Very high	93.2	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.039	14%	0.14	C	C	.	.			trans	-85.8	107.5	175.2	-56.5	-178.9	-172.1	-68.7	0	108.4	Y131 Y188 L200 M221 N222 T452	Y131-K202 HydrophobicContact CD1-CB 4.44Å; Y131-K202 HydrophobicContact CD1-CD 4.05Å; Y131-K202 HydrophobicContact CD1-CG 4.3Å; Y131-K202 HydrophobicContact CD2-CB 4.44Å; Y131-K202 HydrophobicContact CE1-CB 3.99Å; Y131-K202 HydrophobicContact CE1-CD 4.2Å; Y131-K202 HydrophobicContact CE1-CG 3.93Å; Y131-K202 HydrophobicContact CE2-CB 4.01Å; Y188-K202 WeakPolarHBondContact OH-CA 3.49Å; L200-K202 PolarHBondContact O-N 2.87Å; K202-M221 WeakPolarHBondContact O-CA 3.37Å; K202-M221 WeakPolarHBondContact O-CB 3.49Å; K202-N222 HydrophobicContact CB-CB 4.12Å; K202-N222 WeakPolarHBondContact CB-OD1 3.32Å; K202-N222 PolarHBondContact N-OD1 2.85Å; K202-N222 PolarHBondContact O-N 3.41Å; K202-N222 VanDerWaalsContact O-N 3.15Å; K202-T452 PolarHBondContact NZ-OG1 3Å
203	Y	96	Very high	93.2	Very high	5 Å²	5	33.7 Å²	33.7	2%	0.02	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	124.2	-178	-60.1	-72.1	0	0	0	111.5	L181 Y188 P201 V219 M221 I498	L181-Y203 HydrophobicContact CD1-CD2 3.99Å; L181-Y203 HydrophobicContact CD1-CE2 3.72Å; L181-Y203 HydrophobicContact CD2-CD1 4.31Å; L181-Y203 HydrophobicContact CD2-CE1 4.26Å; Y188-Y203 HydrophobicContact CE1-CD2 4.39Å; Y188-Y203 HydrophobicContact CE2-CD2 4.21Å; Y188-Y203 HydrophobicContact CE2-CE2 4.38Å; P201-Y203 HydrophobicContact CB-CE1 4.03Å; P201-Y203 HydrophobicContact CB-CE2 4.1Å; P201-Y203 PolarHBondContact O-N 3.38Å; Y203-V219 HydrophobicContact CD1-CB 4.36Å; Y203-V219 HydrophobicContact CE1-CG2 4.5Å; Y203-M221 HydrophobicContact CD1-CB 4.18Å; Y203-I498 HydrophobicContact CE2-CD1 4.13Å; Y203-I498 VanDerWaalsContact OH-CG1 3.27Å; Y203-I498 WeakPolarHBondContact OH-CG1 3.46Å
204	Y	96.9	Very high	93.5	Very high	3 Å²	3	33.7 Å²	33.7	1%	0.012	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-18.9	-179.6	-55.7	-64.5	0	0	0	113.4	F124 R128 Y131 L133 F138 F168 V220 N222	F124-Y204 VanDerWaalsContact CD1-C 3.49Å; R128-Y204 HydrophobicContact CG-CD1 4.01Å; Y131-Y204 AromaticContact CD2-CD1 3.7Å; Y131-Y204 HydrophobicContact CD2-CD1 3.7Å; Y131-Y204 AromaticContact CD2-CE1 3.37Å; Y131-Y204 HydrophobicContact CD2-CE1 3.37Å; Y131-Y204 HydrophobicContact CE2-CD1 4.07Å; Y131-Y204 HydrophobicContact CE2-CE1 4Å; Y131-Y204 HydrophobicContact CG-CE1 4.12Å; L133-Y204 HydrophobicContact CD2-CD1 3.83Å; L133-Y204 HydrophobicContact CD2-CE1 4.06Å; L133-Y204 HydrophobicContact CD2-CG 4.46Å; F138-Y204 HydrophobicContact CE2-CD2 4.44Å; F138-Y204 HydrophobicContact CE2-CG 4.18Å; F168-Y204 AromaticContact CD1-CD2 3.65Å; F168-Y204 HydrophobicContact CD1-CD2 3.65Å; F168-Y204 AromaticContact CD1-CE2 3.49Å; F168-Y204 HydrophobicContact CD1-CE2 3.49Å; F168-Y204 VanDerWaalsContact CD1-CE2 3.49Å; F168-Y204 AromaticContact CE1-CD2 3.88Å; F168-Y204 HydrophobicContact CE1-CD2 3.88Å; F168-Y204 AromaticContact CE1-CE2 3.53Å; F168-Y204 HydrophobicContact CE1-CE2 3.53Å; F168-Y204 AromaticContact CE1-CZ 3.92Å; Y204-V220 HydrophobicContact CD2-CG1 4.25Å; Y204-V220 PolarHBondContact N-O 2.88Å; Y204-N222 HydrophobicContact CE2-CB 3.87Å; Y204-N222 VanDerWaalsContact CE2-N 3.29Å
205	G	98	Very high	93.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.7	150.5	176	0	0	0	0	0	113.3	F124 V219 V220	F124-G205 VanDerWaalsContact CD1-CA 3.44Å; G205-V219 WeakPolarHBondContact O-CA 3.3Å; G205-V220 PolarHBondContact O-N 3.21Å
206	L	98.5	Very high	94.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	127.4	170	170.8	64.4	0	0	0	109	Y119 F124 V173 L181 V219	Y119-L206 WeakPolarHBondContact CB-O 3.14Å; Y119-L206 HydrophobicContact CD1-CD2 4.19Å; Y119-L206 HydrophobicContact CD2-CD2 4.47Å; Y119-L206 HydrophobicContact CD2-CG 3.99Å; Y119-L206 WeakPolarHBondContact CD2-O 3.45Å; Y119-L206 HydrophobicContact CG-CD2 3.91Å; Y119-L206 HydrophobicContact CG-CG 3.88Å; Y119-L206 PolarHBondContact N-O 2.76Å; F124-L206 HydrophobicContact CE2-CB 3.69Å; F124-L206 HydrophobicContact CZ-CB 3.63Å; V173-L206 HydrophobicContact CG2-CD1 4.44Å; L181-L206 HydrophobicContact CB-CD2 4.48Å; L181-L206 HydrophobicContact CD2-CB 4.5Å; L181-L206 HydrophobicContact CD2-CD1 4.34Å; L181-L206 HydrophobicContact CD2-CD2 4.22Å; L181-L206 HydrophobicContact CG-CD2 4.34Å; L206-V219 HydrophobicContact CD1-CG1 3.66Å
207	Y	98.6	Very high	94.8	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	163.6	-171.2	-54.4	-74.1	0	0	0	112	I70 H73 F116 R117 I118 R217 F218 V220	I70-Y207 HydrophobicContact CD1-CE2 4.14Å; I70-Y207 HydrophobicContact CG1-CD2 4.44Å; I70-Y207 HydrophobicContact CG1-CE2 4.06Å; H73-Y207 AromaticContact CE1-CE1 3.91Å; H73-Y207 AromaticContact ND1-CE1 3.43Å; H73-Y207 WeakPolarHBondContact ND1-CE1 3.34Å; H73-Y207 AromaticContact ND1-CZ 3.87Å; H73-Y207 PolarHBondContact ND1-OH 2.85Å; F116-Y207 AromaticContact CE1-CD1 3.55Å; F116-Y207 HydrophobicContact CE1-CD1 3.55Å; F116-Y207 HydrophobicContact CE1-CE1 4.23Å; F116-Y207 HydrophobicContact CE1-CG 4.01Å; F116-Y207 HydrophobicContact CZ-CD1 4.03Å; F116-Y207 HydrophobicContact CZ-CG 4.01Å; R117-Y207 CarbonylContact O-C 3.55Å; R117-Y207 VanDerWaalsContact O-CA 3.29Å; R117-Y207 WeakPolarHBondContact O-CA 3.13Å; I118-Y207 HydrophobicContact CB-CD1 4.39Å; I118-Y207 HydrophobicContact CG1-CD1 4.11Å; I118-Y207 HydrophobicContact CG1-CE1 4.3Å; I118-Y207 HydrophobicContact CG2-CD1 4.33Å; I118-Y207 HydrophobicContact CG2-CE1 4.04Å; Y207-R217 VanDerWaalsContact O-CA 3.3Å; Y207-R217 WeakPolarHBondContact O-CA 3.3Å; Y207-F218 VanDerWaalsContact CB-CE2 3.42Å; Y207-F218 AromaticContact CD2-CD2 3.99Å; Y207-F218 HydrophobicContact CD2-CD2 3.99Å; Y207-F218 AromaticContact CD2-CE2 3.45Å; Y207-F218 HydrophobicContact CD2-CE2 3.45Å; Y207-F218 VanDerWaalsContact CD2-CE2 3.45Å; Y207-F218 HydrophobicContact CD2-CZ 4.16Å; Y207-F218 HydrophobicContact CG-CD2 4.49Å; Y207-F218 AromaticContact CG-CE2 3.77Å; Y207-F218 HydrophobicContact CG-CE2 3.77Å; Y207-F218 AromaticContact CG-CZ 3.99Å; Y207-F218 HydrophobicContact CG-CZ 3.99Å; Y207-F218 PolarHBondContact N-O 2.84Å; Y207-F218 PolarHBondContact O-N 3.22Å; Y207-V220 HydrophobicContact CD2-CG2 4.06Å; Y207-V220 HydrophobicContact CE2-CG2 3.68Å
208	C	98.3	Very high	95.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	124	166.9	-177.7	0	0	0	0	111.6	R117 Y119 I216 R217	R117-C208 HydrophobicContact CB-CB 4.07Å; R117-C208 PolarHBondContact N-O 3.05Å; R117-C208 PolarHBondContact O-N 2.82Å; Y119-C208 HydrophobicContact CE2-CB 3.81Å; C208-I216 CarbonylContact C-O 3.53Å; C208-I216 VanDerWaalsContact CA-O 3.31Å; C208-I216 WeakPolarHBondContact CA-O 3.35Å; C208-I216 PolarHBondContact SG-O 3.45Å; C208-R217 HydrophobicContact CB-CG 3.99Å; C208-R217 PolarHBondContact SG-NH1 2.97Å
209	Y	98	Very high	95.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	130.6	161.4	167.2	-87.6	0	0	0	109.5	K57 E61 L62 A65 F114 S211 I216	K57-Y209 HydrophobicContact CG-CE1 4.3Å; E61-Y209 PolarHBondContact OE1-OH 3.41Å; L62-Y209 HydrophobicContact CD2-CD1 3.56Å; L62-Y209 HydrophobicContact CD2-CD2 4.42Å; L62-Y209 HydrophobicContact CD2-CE1 3.67Å; L62-Y209 HydrophobicContact CD2-CE2 4.49Å; L62-Y209 HydrophobicContact CD2-CG 3.96Å; A65-Y209 HydrophobicContact CB-CD2 3.6Å; A65-Y209 HydrophobicContact CB-CE2 3.63Å; F114-Y209 HydrophobicContact CB-CD2 3.89Å; F114-Y209 HydrophobicContact CB-CE2 3.37Å; F114-Y209 HydrophobicContact CD1-CE2 4.14Å; F114-Y209 AromaticContact CD2-CD2 3.69Å; F114-Y209 HydrophobicContact CD2-CD2 3.69Å; F114-Y209 AromaticContact CD2-CE2 3.89Å; F114-Y209 HydrophobicContact CD2-CE2 3.89Å; F114-Y209 HydrophobicContact CE2-CD2 4.4Å; F114-Y209 AromaticContact CG-CD2 3.87Å; F114-Y209 HydrophobicContact CG-CD2 3.87Å; F114-Y209 AromaticContact CG-CE2 3.55Å; F114-Y209 HydrophobicContact CG-CE2 3.55Å; Y209-S211 VanDerWaalsContact CZ-CB 3.46Å; Y209-S211 WeakPolarHBondContact OH-CB 3.35Å; Y209-I216 HydrophobicContact CD1-CB 4.3Å; Y209-I216 HydrophobicContact CD1-CD1 4.1Å; Y209-I216 HydrophobicContact CE1-CD1 4.4Å; Y209-I216 PolarHBondContact N-O 2.89Å; Y209-I216 PolarHBondContact O-N 3.38Å
210	Q	97.2	Very high	95.9	Very high	26 Å²	26	22.3 Å²	22.3	12%	0.121	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	116.8	176.8	179.9	175.6	3.4	0	0	111.1	F114 R115 K214 N215	F114-Q210 CarbonylContact C-O 3.57Å; F114-Q210 VanDerWaalsContact CA-O 3.24Å; F114-Q210 WeakPolarHBondContact CA-O 3.29Å; F114-Q210 WeakPolarHBondContact CB-O 3.48Å; R115-Q210 HydrophobicContact CB-CB 4.32Å; R115-Q210 PolarHBondContact N-O 3.04Å; R115-Q210 VanDerWaalsContact NH2-CD 3.34Å; R115-Q210 PolarHBondContact O-N 3.19Å; Q210-K214 VanDerWaalsContact CA-O 3.28Å; Q210-K214 WeakPolarHBondContact CA-O 3.44Å; Q210-N215 VanDerWaalsContact CD-OD1 3.28Å; Q210-N215 WeakPolarHBondContact CG-OD1 3.38Å; Q210-N215 PolarHBondContact OE1-OD1 2.83Å
211	S	94.5	Very high	95.9	Very high	12 Å²	12	23.2 Å²	23.2	8%	0.084	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	121.7	172.8	174.6	0	0	0	0	109.5	K57 S112 D113 Y209 H213 K214	K57-S211 PolarHBondContact NZ-OG 3.32Å; S112-S211 PolarHBondContact OG-OG 3.25Å; S112-S211 VanDerWaalsContact OG-OG 3.09Å; D113-S211 WeakPolarHBondContact O-CB 3.24Å; D113-S211 PolarHBondContact O-OG 3.39Å; Y209-S211 VanDerWaalsContact CZ-CB 3.46Å; Y209-S211 WeakPolarHBondContact OH-CB 3.35Å; S211-H213 PolarHBondContact O-N 3.22Å; S211-K214 PolarHBondContact N-O 3.42Å; S211-K214 VanDerWaalsContact N-O 3.07Å; S211-K214 WeakPolarHBondContact O-CB 3.24Å; S211-K214 PolarHBondContact O-N 2.95Å
212	G	90.6	Very high	95.7	Very high	58 Å²	58	23.2 Å²	23.2	60%	0.598	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	-125.6	-166.7	0	0	0	0	0	112.1	K214	G212-K214 VanDerWaalsContact C-N 3.34Å
213	H	90.4	Very high	95.5	Very high	183 Å²	183	23.3 Å²	23.3	85%	0.847	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-0.3	177.8	-54.2	-67.9	0	0	0	114.1	S211	S211-H213 PolarHBondContact O-N 3.22Å
214	K	93.2	Very high	95.1	Very high	85 Å²	85	23.8 Å²	23.8	37%	0.37	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	127.2	-177.7	-57.4	-52.7	-176.7	-163.4	0	110.1	Q210 S211 G212	Q210-K214 VanDerWaalsContact CA-O 3.28Å; Q210-K214 WeakPolarHBondContact CA-O 3.44Å; S211-K214 PolarHBondContact N-O 3.42Å; S211-K214 VanDerWaalsContact N-O 3.07Å; S211-K214 WeakPolarHBondContact O-CB 3.24Å; S211-K214 PolarHBondContact O-N 2.95Å; G212-K214 VanDerWaalsContact C-N 3.34Å
215	N	95.8	Very high	94.5	Very high	50 Å²	50	25 Å²	25	27%	0.267	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	120.2	173.4	-68.8	-84.7	0	0	0	108.6	K55 Q210	K55-N215 PolarHBondContact NZ-O 3.44Å; Q210-N215 VanDerWaalsContact CD-OD1 3.28Å; Q210-N215 WeakPolarHBondContact CG-OD1 3.38Å; Q210-N215 PolarHBondContact OE1-OD1 2.83Å
216	I	96.5	Very high	93.4	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	110.1	179.8	-65.4	165	0	0	0	107.2	Y54 K55 K57 L62 T172 C208 Y209	Y54-I216 HydrophobicContact CD1-CD1 4.04Å; Y54-I216 HydrophobicContact CD1-CG1 3.94Å; Y54-I216 HydrophobicContact CD1-CG2 3.84Å; Y54-I216 HydrophobicContact CE1-CG1 4.21Å; Y54-I216 HydrophobicContact CE1-CG2 3.89Å; K55-I216 HydrophobicContact CB-CD1 4.31Å; K55-I216 HydrophobicContact CB-CG1 4.33Å; K55-I216 HydrophobicContact CD-CG1 3.93Å; K55-I216 HydrophobicContact CG-CG1 4.35Å; K57-I216 HydrophobicContact CB-CD1 4.18Å; K57-I216 HydrophobicContact CG-CD1 4.29Å; L62-I216 HydrophobicContact CD1-CD1 3.85Å; L62-I216 HydrophobicContact CD2-CD1 3.51Å; L62-I216 HydrophobicContact CG-CD1 4.32Å; T172-I216 HydrophobicContact CG2-CG2 4.17Å; C208-I216 CarbonylContact C-O 3.53Å; C208-I216 VanDerWaalsContact CA-O 3.31Å; C208-I216 WeakPolarHBondContact CA-O 3.35Å; C208-I216 PolarHBondContact SG-O 3.45Å; Y209-I216 HydrophobicContact CD1-CB 4.3Å; Y209-I216 HydrophobicContact CD1-CD1 4.1Å; Y209-I216 HydrophobicContact CE1-CD1 4.4Å; Y209-I216 PolarHBondContact N-O 2.89Å; Y209-I216 PolarHBondContact O-N 3.38Å
217	R	97.3	Very high	92.5	Very high	21 Å²	21	28.8 Å²	28.8	8%	0.079	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	145.6	177.7	-64.5	-177.6	-170.1	-18.4	1.9	109.6	Y119 T172 V173 H175 Y207 C208	Y119-R217 PolarHBondContact OH-NH1 2.94Å; Y119-R217 VanDerWaalsContact OH-NH1 3.15Å; Y119-R217 PolarHBondContact OH-NH2 3.04Å; T172-R217 CarbonylContact C-O 3.42Å; T172-R217 VanDerWaalsContact CA-O 3.29Å; T172-R217 WeakPolarHBondContact CA-O 3.39Å; V173-R217 HydrophobicContact CG2-CB 3.63Å; V173-R217 PolarHBondContact N-O 3.47Å; H175-R217 PolarHBondContact ND1-NE 2.88Å; H175-R217 PolarHBondContact ND1-NH2 2.89Å; Y207-R217 VanDerWaalsContact O-CA 3.3Å; Y207-R217 WeakPolarHBondContact O-CA 3.3Å; C208-R217 HydrophobicContact CB-CG 3.99Å; C208-R217 PolarHBondContact SG-NH1 2.97Å
218	F	97	Very high	91.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.009	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	152.7	176.5	56.7	-86.5	0	0	0	110.9	I66 F116 I170 K171 Y207	I66-F218 HydrophobicContact CB-CE2 4.42Å; I66-F218 HydrophobicContact CB-CZ 4.27Å; I66-F218 HydrophobicContact CD1-CD1 4.46Å; I66-F218 HydrophobicContact CD1-CE1 4.41Å; I66-F218 HydrophobicContact CD1-CE2 4.45Å; I66-F218 HydrophobicContact CD1-CZ 4.4Å; I66-F218 HydrophobicContact CG1-CD1 4.33Å; I66-F218 HydrophobicContact CG1-CD2 4.45Å; I66-F218 HydrophobicContact CG1-CE1 3.79Å; I66-F218 HydrophobicContact CG1-CE2 3.9Å; I66-F218 HydrophobicContact CG1-CZ 3.55Å; I66-F218 HydrophobicContact CG2-CE2 3.83Å; I66-F218 HydrophobicContact CG2-CZ 4.14Å; F116-F218 HydrophobicContact CE2-CE1 4.22Å; F116-F218 AromaticContact CE2-CZ 3.62Å; F116-F218 HydrophobicContact CE2-CZ 3.62Å; F116-F218 HydrophobicContact CZ-CE2 4.35Å; F116-F218 AromaticContact CZ-CZ 3.59Å; F116-F218 HydrophobicContact CZ-CZ 3.59Å; I170-F218 HydrophobicContact CG2-CB 4.01Å; I170-F218 HydrophobicContact CG2-CD2 3.7Å; I170-F218 HydrophobicContact CG2-CG 4.17Å; K171-F218 CarbonylContact O-C 3.48Å; K171-F218 WeakPolarHBondContact O-CA 2.94Å; K171-F218 WeakPolarHBondContact O-CB 3.38Å; Y207-F218 VanDerWaalsContact CB-CE2 3.42Å; Y207-F218 AromaticContact CD2-CD2 3.99Å; Y207-F218 HydrophobicContact CD2-CD2 3.99Å; Y207-F218 AromaticContact CD2-CE2 3.45Å; Y207-F218 HydrophobicContact CD2-CE2 3.45Å; Y207-F218 VanDerWaalsContact CD2-CE2 3.45Å; Y207-F218 HydrophobicContact CD2-CZ 4.16Å; Y207-F218 HydrophobicContact CG-CD2 4.49Å; Y207-F218 AromaticContact CG-CE2 3.77Å; Y207-F218 HydrophobicContact CG-CE2 3.77Å; Y207-F218 AromaticContact CG-CZ 3.99Å; Y207-F218 HydrophobicContact CG-CZ 3.99Å; Y207-F218 PolarHBondContact N-O 2.84Å; Y207-F218 PolarHBondContact O-N 3.22Å
219	V	97.4	Very high	90.6	Very high	1 Å²	1	33 Å²	33	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	141.5	175.6	-64.9	0	0	0	0	109	I170 K171 V173 L181 Y203 G205 L206 M221	I170-V219 CarbonylContact C-O 3.48Å; I170-V219 VanDerWaalsContact CA-O 3.3Å; I170-V219 WeakPolarHBondContact CA-O 3.37Å; K171-V219 HydrophobicContact CB-CG2 4.03Å; K171-V219 PolarHBondContact N-O 3.24Å; K171-V219 PolarHBondContact O-N 3.02Å; V173-V219 HydrophobicContact CG1-CG1 4.06Å; V173-V219 HydrophobicContact CG1-CG2 3.95Å; V173-V219 HydrophobicContact CG2-CG1 4.34Å; L181-V219 HydrophobicContact CD2-CG1 3.49Å; L181-V219 VanDerWaalsContact CD2-CG1 3.49Å; Y203-V219 HydrophobicContact CD1-CB 4.36Å; Y203-V219 HydrophobicContact CE1-CG2 4.5Å; G205-V219 WeakPolarHBondContact O-CA 3.3Å; L206-V219 HydrophobicContact CD1-CG1 3.66Å; V219-M221 HydrophobicContact CG2-SD 4.39Å
220	V	97.4	Very high	90.2	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	125.7	168	-173.2	0	0	0	0	107	I70 F138 L142 I169 I170 Y204 G205 Y207	I70-V220 HydrophobicContact CD1-CG2 3.97Å; F138-V220 HydrophobicContact CE2-CG1 4.01Å; F138-V220 HydrophobicContact CZ-CG1 4.13Å; L142-V220 HydrophobicContact CD1-CG1 3.79Å; I169-V220 WeakPolarHBondContact O-CA 3.13Å; I170-V220 HydrophobicContact CG1-CG1 4.49Å; I170-V220 HydrophobicContact CG1-CG2 4.21Å; Y204-V220 HydrophobicContact CD2-CG1 4.25Å; Y204-V220 PolarHBondContact N-O 2.88Å; G205-V220 PolarHBondContact O-N 3.21Å; Y207-V220 HydrophobicContact CD2-CG2 4.06Å; Y207-V220 HydrophobicContact CE2-CG2 3.68Å
221	M	94.6	Very high	89.9	Confident	24 Å²	24	38.6 Å²	38.6	12%	0.118	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	165.5	-176.5	59	-177.5	-79.4	0	0	111.7	I169 P201 K202 Y203 V219	I169-M221 HydrophobicContact CB-CG 4.19Å; I169-M221 HydrophobicContact CG2-CG 4.43Å; I169-M221 PolarHBondContact N-O 3.48Å; I169-M221 PolarHBondContact O-N 2.91Å; P201-M221 HydrophobicContact CB-CE 3.92Å; P201-M221 HydrophobicContact CG-CE 4.47Å; K202-M221 WeakPolarHBondContact O-CA 3.37Å; K202-M221 WeakPolarHBondContact O-CB 3.49Å; Y203-M221 HydrophobicContact CD1-CB 4.18Å; V219-M221 HydrophobicContact CG2-SD 4.39Å
222	N	90.8	Very high	89.9	Confident	3 Å²	3	39.3 Å²	39.3	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	144.2	176.9	71.7	-66.6	0	0	0	111.2	K202 Y204 L224	K202-N222 HydrophobicContact CB-CB 4.12Å; K202-N222 WeakPolarHBondContact CB-OD1 3.32Å; K202-N222 PolarHBondContact N-OD1 2.85Å; K202-N222 PolarHBondContact O-N 3.41Å; K202-N222 VanDerWaalsContact O-N 3.15Å; Y204-N222 HydrophobicContact CE2-CB 3.87Å; Y204-N222 VanDerWaalsContact CE2-N 3.29Å; N222-L224 WeakPolarHBondContact ND2-CD2 3.21Å
223	N	89.1	Confident	90.2	Very high	12 Å²	12	38.6 Å²	38.6	6%	0.064	19%	0.194	C	C	.	.			trans	-76	132	161.4	-174.2	8.8	0	0	0	109.1	D166 E167 I169 L225 Y450	D166-N223 WeakPolarHBondContact O-CB 3.24Å; D166-N223 PolarHBondContact O-ND2 3.39Å; E167-N223 PolarHBondContact O-N 3.17Å; I169-N223 HydrophobicContact CD1-CB 4Å; I169-N223 HydrophobicContact CG1-CB 3.93Å; N223-L225 PolarHBondContact ND2-O 2.92Å; N223-L225 PolarHBondContact OD1-N 3.27Å; N223-L225 VanDerWaalsContact OD1-N 3.09Å; N223-L225 PolarHBondContact OD1-O 3.3Å; N223-Y450 HydrophobicContact CB-CE1 4.02Å; N223-Y450 WeakPolarHBondContact O-CD1 3.21Å; N223-Y450 WeakPolarHBondContact O-CE1 3.18Å
224	L	86.2	Confident	90.4	Very high	15 Å²	15	31.7 Å²	31.7	8%	0.079	16%	0.162	C	C	.	.	S	Bend	trans	-86.1	-27.1	177.8	-73.2	170.7	0	0	0	112.4	N222 L303 I496	N222-L224 WeakPolarHBondContact ND2-CD2 3.21Å; L224-L303 HydrophobicContact CB-CD2 4.26Å; L224-L303 HydrophobicContact CD1-CB 4.4Å; L224-L303 HydrophobicContact CD1-CD2 4.11Å; L224-I496 HydrophobicContact CD1-CG2 3.49Å; L224-I496 VanDerWaalsContact CD1-CG2 3.49Å
225	L	85.5	Confident	90.6	Very high	29 Å²	29	27.6 Å²	27.6	15%	0.152	14%	0.144	C	C	.	.	S	Bend	trans	-116.9	99.6	-172.8	-59.1	-175.6	0	0	0	109.2	N223 S227 K234 L303	N223-L225 PolarHBondContact ND2-O 2.92Å; N223-L225 PolarHBondContact OD1-N 3.27Å; N223-L225 VanDerWaalsContact OD1-N 3.09Å; N223-L225 PolarHBondContact OD1-O 3.3Å; L225-S227 PolarHBondContact O-N 3.41Å; L225-K234 HydrophobicContact CD1-CD 3.75Å; L225-K234 HydrophobicContact CD1-CG 4.16Å; L225-L303 HydrophobicContact CD1-CD1 4.39Å; L225-L303 HydrophobicContact CD1-CD2 3.95Å; L225-L303 HydrophobicContact CD1-CG 4.27Å; L225-L303 HydrophobicContact CG-CD2 4.02Å
226	P	75.2	Confident	90.7	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.138	C	C	.	.			trans	-66.5	132.8	179.8	25.9	-31.5	0	0	0	110.4	S228 V229 Y450 P475 Y492	P226-S228 PolarHBondContact O-N 3.31Å; P226-V229 HydrophobicContact CG-CB 4.38Å; P226-V229 HydrophobicContact CG-CG2 4.2Å; P226-V229 PolarHBondContact O-N 3.05Å; P226-Y450 HydrophobicContact CB-CD1 3.78Å; P226-Y450 HydrophobicContact CB-CD2 4.2Å; P226-Y450 HydrophobicContact CB-CE1 3.59Å; P226-Y450 HydrophobicContact CB-CE2 4.04Å; P226-Y450 HydrophobicContact CB-CG 4.08Å; P226-Y450 HydrophobicContact CG-CD1 4.04Å; P226-Y450 HydrophobicContact CG-CE1 4.34Å; P226-Y450 HydrophobicContact CG-CG 4.17Å; P226-P475 HydrophobicContact CB-CG 4.4Å; P226-P475 HydrophobicContact CG-CG 4.26Å; P226-Y492 HydrophobicContact CG-CD1 4.12Å; P226-Y492 HydrophobicContact CG-CE1 3.78Å; P226-Y492 HydrophobicContact CG-CE2 4.44Å
227	S	79	Confident	90.7	Very high	77 Å²	77	26.3 Å²	26.3	54%	0.538	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-11.8	173.1	-30.4	0	0	0	0	112.9	D166 L225 V229	D166-S227 PolarHBondContact OD1-OG 2.89Å; D166-S227 WeakPolarHBondContact OD2-CB 3.43Å; D166-S227 PolarHBondContact OD2-OG 3.08Å; L225-S227 PolarHBondContact O-N 3.41Å; S227-V229 PolarHBondContact O-N 3.14Å
228	S	76.8	Confident	90.7	Very high	81 Å²	81	27 Å²	27	57%	0.566	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-18.4	171.8	56.5	0	0	0	0	112.9	P226	P226-S228 PolarHBondContact O-N 3.31Å
229	V	80.6	Confident	90.5	Very high	8 Å²	8	27.5 Å²	27.5	5%	0.048	15%	0.146	C	C	.	.	S	Bend	trans	-112.9	136.2	174.8	-175.4	0	0	0	0	109.8	P226 S227 I231 H307 P475 Y492	P226-V229 HydrophobicContact CG-CB 4.38Å; P226-V229 HydrophobicContact CG-CG2 4.2Å; P226-V229 PolarHBondContact O-N 3.05Å; S227-V229 PolarHBondContact O-N 3.14Å; V229-I231 HydrophobicContact CB-CD1 4.46Å; V229-I231 HydrophobicContact CG1-CD1 4.4Å; V229-I231 PolarHBondContact O-N 2.97Å; V229-H307 HydrophobicContact CG1-CB 3.67Å; V229-H307 VanDerWaalsContact CG1-ND1 3.31Å; V229-H307 WeakPolarHBondContact CG1-ND1 3.01Å; V229-P475 HydrophobicContact CG2-CG 3.39Å; V229-Y492 HydrophobicContact CG1-CE2 4.4Å
230	R	89.1	Confident	90.4	Very high	128 Å²	128	28.9 Å²	28.9	48%	0.483	16%	0.156	S	C	.	.			trans	-69.4	104.6	170.5	179	152.5	176.2	69	4	110.3	H232 H307 E315	R230-H232 PolarHBondContact O-CE1 3.09Å; R230-H232 PolarHBondContact O-N 3.48Å; R230-H232 PolarHBondContact O-ND1 2.64Å; R230-H232 VanDerWaalsContact O-ND1 3.16Å; R230-H307 PolarHBondContact O-ND1 2.92Å; R230-E315 IonicContact NE-OE2 2.97Å; R230-E315 PolarHBondContact NE-OE2 3.22Å
231	I	91.3	Very high	90	Very high	16 Å²	16	33.5 Å²	33.5	8%	0.082	18%	0.184	C	C	.	.			trans	-78.4	108.9	169.7	-51.6	-56.9	0	0	0	108.4	V229 E233 K234 Y492	V229-I231 HydrophobicContact CB-CD1 4.46Å; V229-I231 HydrophobicContact CG1-CD1 4.4Å; V229-I231 PolarHBondContact O-N 2.97Å; I231-E233 WeakPolarHBondContact CG2-O 3.31Å; I231-K234 HydrophobicContact CB-CG 4.39Å; I231-K234 HydrophobicContact CG2-CD 4.15Å; I231-K234 HydrophobicContact CG2-CG 3.44Å; I231-K234 VanDerWaalsContact CG2-CG 3.44Å; I231-Y492 HydrophobicContact CD1-CD2 3.93Å; I231-Y492 HydrophobicContact CD1-CE2 4.31Å
232	H	94	Very high	89.8	Confident	28 Å²	28	42.7 Å²	42.7	13%	0.13	22%	0.219	C	C	.	.			trans	-76.4	-38.2	-177.1	-61.1	88.6	0	0	0	110.9	R230 I306 H307 N308 Q311 E315	R230-H232 PolarHBondContact O-CE1 3.09Å; R230-H232 PolarHBondContact O-N 3.48Å; R230-H232 PolarHBondContact O-ND1 2.64Å; R230-H232 VanDerWaalsContact O-ND1 3.16Å; H232-I306 PolarHBondContact N-O 2.73Å; H232-H307 AromaticContact CE1-CE1 3.66Å; H232-H307 AromaticContact CE1-ND1 3.33Å; H232-H307 PolarHBondContact CE1-ND1 3.3Å; H232-H307 VanDerWaalsContact CE1-ND1 3.33Å; H232-H307 AromaticContact ND1-ND1 3.56Å; H232-N308 PolarHBondContact CE1-O 2.95Å; H232-N308 PolarHBondContact ND1-N 2.96Å; H232-Q311 PolarHBondContact CD2-NE2 2.89Å; H232-E315 IonicContact CD2-OE1 3.78Å
233	E	96.2	Very high	89.7	Confident	43 Å²	43	45 Å²	45	20%	0.201	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	143.5	178.5	-54	174.4	-115.3	0	0	110.8	I231 Y235 H267 G305 I306	I231-E233 WeakPolarHBondContact CG2-O 3.31Å; E233-Y235 HydrophobicContact CB-CD2 4.4Å; E233-Y235 HydrophobicContact CB-CE2 3.64Å; E233-Y235 WeakPolarHBondContact OE2-CE2 3.38Å; E233-Y235 PolarHBondContact OE2-OH 2.71Å; E233-H267 IonicContact OE1-CE1 2.76Å; E233-H267 IonicContact OE1-NE2 3.78Å; E233-H267 PolarHBondContact OE1-NE2 2.83Å; E233-H267 IonicContact OE2-CD2 3.3Å; E233-H267 IonicContact OE2-CE1 3.84Å; E233-H267 IonicContact OE2-NE2 2.61Å; E233-H267 PolarHBondContact OE2-NE2 2.89Å; E233-G305 WeakPolarHBondContact O-CA 3.47Å; E233-I306 HydrophobicContact CB-CB 4.16Å; E233-I306 HydrophobicContact CB-CD1 4.32Å; E233-I306 HydrophobicContact CB-CG1 4.46Å; E233-I306 PolarHBondContact N-O 3.46Å; E233-I306 PolarHBondContact O-N 2.81Å
234	K	96.4	Very high	90	Very high	37 Å²	37	45.5 Å²	45.5	16%	0.161	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	133.7	176	-64.5	-179.8	-53.2	-158.8	0	109.9	L225 I231 S255 P256 L258 L304	L225-K234 HydrophobicContact CD1-CD 3.75Å; L225-K234 HydrophobicContact CD1-CG 4.16Å; I231-K234 HydrophobicContact CB-CG 4.39Å; I231-K234 HydrophobicContact CG2-CD 4.15Å; I231-K234 HydrophobicContact CG2-CG 3.44Å; I231-K234 VanDerWaalsContact CG2-CG 3.44Å; K234-S255 VanDerWaalsContact CE-O 3.29Å; K234-S255 WeakPolarHBondContact CE-O 3.29Å; K234-S255 WeakPolarHBondContact CE-OG 3.5Å; K234-S255 PolarHBondContact NZ-O 3.08Å; K234-S255 PolarHBondContact NZ-OG 2.77Å; K234-P256 WeakPolarHBondContact CE-O 3.29Å; K234-L258 WeakPolarHBondContact O-CB 3.35Å; K234-L258 PolarHBondContact O-N 3.4Å; K234-L304 CarbonylContact C-O 3.52Å; K234-L304 VanDerWaalsContact CA-O 3.31Å; K234-L304 WeakPolarHBondContact CA-O 3.41Å
235	Y	97.5	Very high	90.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.7	179.5	-61.7	-88.3	0	0	0	111.4	E233 L237 L258 D262 F263 N266 H267 L303 L304 I306	E233-Y235 HydrophobicContact CB-CD2 4.4Å; E233-Y235 HydrophobicContact CB-CE2 3.64Å; E233-Y235 WeakPolarHBondContact OE2-CE2 3.38Å; E233-Y235 PolarHBondContact OE2-OH 2.71Å; Y235-L237 HydrophobicContact CD1-CD2 4.5Å; Y235-L258 CarbonylContact C-O 3.52Å; Y235-L258 VanDerWaalsContact CA-O 3.3Å; Y235-L258 WeakPolarHBondContact CA-O 3.12Å; Y235-L258 HydrophobicContact CD1-CB 3.49Å; Y235-L258 VanDerWaalsContact CD1-CB 3.49Å; Y235-L258 HydrophobicContact CD1-CD1 4.44Å; Y235-L258 HydrophobicContact CE1-CB 3.54Å; Y235-L258 HydrophobicContact CE1-CD1 3.68Å; Y235-L258 HydrophobicContact CE1-CG 4.25Å; Y235-L258 HydrophobicContact CG-CB 4.34Å; Y235-D262 HydrophobicContact CE1-CB 4.48Å; Y235-F263 HydrophobicContact CD1-CB 3.67Å; Y235-F263 AromaticContact CD1-CD2 3.81Å; Y235-F263 HydrophobicContact CD1-CD2 3.81Å; Y235-F263 HydrophobicContact CD1-CG 4.25Å; Y235-F263 AromaticContact CD2-CD2 3.93Å; Y235-F263 HydrophobicContact CD2-CD2 3.93Å; Y235-F263 HydrophobicContact CD2-CE2 4.5Å; Y235-F263 HydrophobicContact CE1-CB 3.75Å; Y235-F263 AromaticContact CE1-CD2 3.91Å; Y235-F263 HydrophobicContact CE1-CD2 3.91Å; Y235-F263 HydrophobicContact CE1-CG 4.31Å; Y235-F263 HydrophobicContact CE2-CD2 4.02Å; Y235-F263 HydrophobicContact CG-CB 4.46Å; Y235-F263 AromaticContact CG-CD2 3.83Å; Y235-F263 HydrophobicContact CG-CD2 3.83Å; Y235-N266 WeakPolarHBondContact OH-CB 3.21Å; Y235-N266 PolarHBondContact OH-ND2 3.13Å; Y235-H267 PolarHBondContact OH-CD2 2.95Å; Y235-L303 WeakPolarHBondContact O-CA 3.39Å; Y235-L304 HydrophobicContact CD2-CD2 4.29Å; Y235-L304 PolarHBondContact N-O 2.97Å; Y235-L304 PolarHBondContact O-N 2.67Å; Y235-I306 HydrophobicContact CD2-CD1 4.21Å; Y235-I306 HydrophobicContact CE2-CD1 3.87Å
236	D	96.2	Very high	90.8	Very high	26 Å²	26	48.2 Å²	48.2	14%	0.139	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	112.7	162.7	173.7	-67.4	0	0	0	107.2	R244 T257 L258 K259 S301	D236-R244 VanDerWaalsContact C-NH2 3.32Å; D236-R244 PolarHBondContact O-NH2 3.07Å; D236-R244 IonicContact OD1-CZ 2.65Å; D236-R244 VanDerWaalsContact OD1-CZ 3.26Å; D236-R244 IonicContact OD1-NH1 3.5Å; D236-R244 PolarHBondContact OD1-NH1 3.04Å; D236-R244 IonicContact OD1-NH2 2.97Å; D236-R244 PolarHBondContact OD1-NH2 3.37Å; D236-T257 HydrophobicContact CB-CG2 3.96Å; D236-L258 PolarHBondContact N-O 3.3Å; D236-K259 WeakPolarHBondContact O-CA 3.41Å; D236-S301 WeakPolarHBondContact OD1-CB 3.46Å; D236-S301 PolarHBondContact OD1-OG 3.49Å; D236-S301 VanDerWaalsContact OD2-CB 3.31Å; D236-S301 WeakPolarHBondContact OD2-CB 3.42Å; D236-S301 PolarHBondContact OD2-OG 2.89Å
237	L	97.6	Very high	91.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	131.6	-170.5	-60.1	177.8	0	0	0	111.5	Y235 F263 S301 L302 L304 F537 I538 V542	Y235-L237 HydrophobicContact CD1-CD2 4.5Å; L237-F263 HydrophobicContact CD1-CD2 4.24Å; L237-F263 HydrophobicContact CD2-CB 3.87Å; L237-F263 HydrophobicContact CD2-CD2 4.45Å; L237-F263 HydrophobicContact CD2-CG 4.21Å; L237-S301 CarbonylContact O-C 3.54Å; L237-S301 WeakPolarHBondContact O-CA 3.42Å; L237-L302 HydrophobicContact CB-CB 4.4Å; L237-L302 PolarHBondContact N-O 3.36Å; L237-L302 PolarHBondContact O-N 3.45Å; L237-L304 HydrophobicContact CD1-CB 4.44Å; L237-L304 HydrophobicContact CD1-CD2 4.17Å; L237-F537 HydrophobicContact CB-CE1 4.09Å; L237-F537 HydrophobicContact CD2-CE1 4.14Å; L237-F537 HydrophobicContact CG-CE1 4.49Å; L237-I538 HydrophobicContact CB-CD1 4.23Å; L237-I538 HydrophobicContact CD1-CD1 4.48Å; L237-V542 HydrophobicContact CD1-CG1 3.88Å; L237-V542 HydrophobicContact CD1-CG2 3.78Å
238	K	95.9	Very high	92.4	Very high	37 Å²	37	54.5 Å²	54.5	16%	0.161	29%	0.291	C	S	.	.			trans	-127.2	-10.9	-176.7	-74.6	-172.2	-173.5	-162.8	0	114.3	S240 R244 D260 D299 S301 Y530	K238-S240 VanDerWaalsContact C-N 3.33Å; K238-R244 VanDerWaalsContact CG-NH2 3.32Å; K238-D260 PolarHBondContact N-OD1 3.01Å; K238-D260 PolarHBondContact N-OD2 2.99Å; K238-D299 VanDerWaalsContact CE-O 3.24Å; K238-D299 WeakPolarHBondContact CE-O 3.31Å; K238-D299 PolarHBondContact NZ-O 2.96Å; K238-S301 WeakPolarHBondContact CE-OG 3.3Å; K238-Y530 WeakPolarHBondContact CD-OH 3.35Å; K238-Y530 WeakPolarHBondContact CG-OH 3.37Å
239	G	94.8	Very high	93.1	Very high	12 Å²	12	54.3 Å²	54.3	12%	0.124	29%	0.294	C	S	.	.	S	Bend	trans	72.8	21.6	-170.9	0	0	0	0	0	114.1	D260 R533 F537	G239-D260 WeakPolarHBondContact CA-OD1 3.38Å; G239-D260 PolarHBondContact N-OD1 2.86Å; G239-R533 WeakPolarHBondContact O-CD 3.33Å; G239-R533 WeakPolarHBondContact O-CG 3.1Å; G239-R533 PolarHBondContact O-NE 3.33Å; G239-R533 VanDerWaalsContact O-NE 3.11Å; G239-F537 VanDerWaalsContact CA-CB 3.48Å; G239-F537 VanDerWaalsContact CA-CD1 3.4Å; G239-F537 VanDerWaalsContact CA-CG 3.4Å
240	S	93.4	Very high	93.6	Very high	29 Å²	29	55.7 Å²	55.7	20%	0.203	30%	0.3	C	S	.	.			trans	-115.6	167.5	172.9	59.8	0	0	0	0	111	K238 R244 D260	K238-S240 VanDerWaalsContact C-N 3.33Å; S240-R244 WeakPolarHBondContact O-CB 3.24Å; S240-R244 VanDerWaalsContact O-CG 3.24Å; S240-R244 WeakPolarHBondContact O-CG 3.39Å; S240-R244 WeakPolarHBondContact OG-CG 3.31Å; S240-D260 PolarHBondContact N-OD1 3.28Å; S240-D260 WeakPolarHBondContact O-CB 3.42Å
241	T	90.6	Very high	93.8	Very high	97 Å²	97	54.5 Å²	54.5	60%	0.595	30%	0.295	S	S	*	.			trans	-113.2	-38.3	-177.2	52.2	0	0	0	0	112.8	G243 R244 L261	T241-G243 PolarHBondContact O-N 3.26Å; T241-R244 WeakPolarHBondContact O-CB 3.45Å; T241-R244 PolarHBondContact O-N 3.48Å; T241-L261 HydrophobicContact CG2-CD2 4.17Å; T241-L261 WeakPolarHBondContact O-CD1 3.23Å
242	Y	89.2	Confident	93.9	Very high	218 Å²	218	57.9 Å²	57.9	86%	0.855	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	120.4	-177.4	-175.2	-98	0	0	0	112.8	R244	Y242-R244 WeakPolarHBondContact O-CG 2.9Å; Y242-R244 PolarHBondContact O-N 3.45Å
243	G	89.3	Confident	93.8	Very high	52 Å²	52	60.5 Å²	60.5	54%	0.536	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.4	16.7	-178.7	0	0	0	0	0	114.2	T241 K259	T241-G243 PolarHBondContact O-N 3.26Å; G243-K259 PolarHBondContact O-NZ 3.49Å
244	R	94.9	Very high	93.4	Very high	21 Å²	21	64.4 Å²	64.4	8%	0.079	37%	0.369	C	S	.	.			trans	-101.2	37	-175.8	-57.3	-58.5	-66.6	170.6	-1.2	113	D236 K238 S240 T241 Y242 K259 D260 L261	D236-R244 VanDerWaalsContact C-NH2 3.32Å; D236-R244 PolarHBondContact O-NH2 3.07Å; D236-R244 IonicContact OD1-CZ 2.65Å; D236-R244 VanDerWaalsContact OD1-CZ 3.26Å; D236-R244 IonicContact OD1-NH1 3.5Å; D236-R244 PolarHBondContact OD1-NH1 3.04Å; D236-R244 IonicContact OD1-NH2 2.97Å; D236-R244 PolarHBondContact OD1-NH2 3.37Å; K238-R244 VanDerWaalsContact CG-NH2 3.32Å; S240-R244 WeakPolarHBondContact O-CB 3.24Å; S240-R244 VanDerWaalsContact O-CG 3.24Å; S240-R244 WeakPolarHBondContact O-CG 3.39Å; S240-R244 WeakPolarHBondContact OG-CG 3.31Å; T241-R244 WeakPolarHBondContact O-CB 3.45Å; T241-R244 PolarHBondContact O-N 3.48Å; Y242-R244 WeakPolarHBondContact O-CG 2.9Å; Y242-R244 PolarHBondContact O-N 3.45Å; R244-K259 VanDerWaalsContact C-CB 3.44Å; R244-K259 HydrophobicContact CB-CB 4.43Å; R244-K259 CarbonylContact O-C 3.55Å; R244-K259 WeakPolarHBondContact O-CB 3.48Å; R244-D260 HydrophobicContact CB-CB 3.92Å; R244-D260 IonicContact CZ-OD2 2.89Å; R244-D260 IonicContact NE-OD2 3.04Å; R244-D260 PolarHBondContact NE-OD2 3.5Å; R244-D260 IonicContact NH2-OD2 3.88Å; R244-D260 PolarHBondContact NH2-OD2 2.9Å; R244-D260 PolarHBondContact O-N 2.88Å; R244-L261 HydrophobicContact CB-CG 4.48Å; R244-L261 WeakPolarHBondContact O-CB 3.43Å; R244-L261 PolarHBondContact O-N 3.3Å
245	Q	95.5	Very high	93	Very high	94 Å²	94	64.3 Å²	64.3	44%	0.439	37%	0.373	S	S	.	.	S	Bend	trans	-117.4	145.8	163.7	-159.6	170.4	-11.6	0	0	108.9	K259 L261 D262	Q245-K259 PolarHBondContact O-NZ 3.1Å; Q245-L261 HydrophobicContact CB-CB 4.31Å; Q245-L261 HydrophobicContact CB-CD1 4.26Å; Q245-D262 WeakPolarHBondContact CA-OD2 3.27Å; Q245-D262 VanDerWaalsContact CG-OD1 3.22Å; Q245-D262 WeakPolarHBondContact CG-OD1 3.38Å
246	A	93.9	Very high	92.8	Very high	8 Å²	8	65.9 Å²	65.9	7%	0.066	38%	0.383	C	S	.	.			trans	-64.3	141.1	173	0	0	0	0	0	110.7	E250 R251 L258 D262	A246-E250 HydrophobicContact CB-CB 4.36Å; A246-E250 HydrophobicContact CB-CG 4.34Å; A246-R251 HydrophobicContact CB-CG 3.83Å; A246-L258 HydrophobicContact CB-CD2 3.9Å; A246-D262 PolarHBondContact N-OD2 3.43Å
247	S	93.2	Very high	92.7	Very high	71 Å²	71	66.8 Å²	66.8	50%	0.497	39%	0.39	S	S	.	.			trans	-73.7	159.8	174.2	59.5	0	0	0	0	110.8	A249 E250 R251	S247-A249 PolarHBondContact O-N 2.91Å; S247-E250 WeakPolarHBondContact O-CA 3.31Å; S247-E250 WeakPolarHBondContact O-CB 3.39Å; S247-E250 PolarHBondContact O-N 2.6Å; S247-E250 PolarHBondContact OG-N 3.35Å; S247-R251 PolarHBondContact O-N 2.84Å
248	D	94	Very high	92.6	Very high	139 Å²	139	67.8 Å²	67.8	74%	0.743	40%	0.395	S	S	*	.	H	α-helix	trans	-56.7	-38.5	177.4	-56.5	-33.7	0	0	0	112.1	E250 R251 A252	D248-E250 VanDerWaalsContact C-N 3.31Å; D248-E250 PolarHBondContact O-N 2.86Å; D248-R251 PolarHBondContact O-N 3.09Å; D248-A252 WeakPolarHBondContact O-CB 3.3Å; D248-A252 PolarHBondContact O-N 3.27Å
249	A	90.9	Very high	92.7	Very high	76 Å²	76	68.8 Å²	68.8	63%	0.628	40%	0.399	S	S	*	.	H	α-helix	trans	-65.2	-31.3	175.8	0	0	0	0	0	113.4	S247	S247-A249 PolarHBondContact O-N 2.91Å
250	E	92	Very high	92.9	Very high	38 Å²	38	68.2 Å²	68.2	18%	0.178	39%	0.394	C	S	.	.	H	α-helix	trans	-76	-45.3	173.7	-174.9	62.6	-154.1	0	0	110.5	A246 S247 D248 A252 K253 P256 T257	A246-E250 HydrophobicContact CB-CB 4.36Å; A246-E250 HydrophobicContact CB-CG 4.34Å; S247-E250 WeakPolarHBondContact O-CA 3.31Å; S247-E250 WeakPolarHBondContact O-CB 3.39Å; S247-E250 PolarHBondContact O-N 2.6Å; S247-E250 PolarHBondContact OG-N 3.35Å; D248-E250 VanDerWaalsContact C-N 3.31Å; D248-E250 PolarHBondContact O-N 2.86Å; E250-A252 PolarHBondContact O-N 2.92Å; E250-K253 VanDerWaalsContact O-CB 3.32Å; E250-K253 WeakPolarHBondContact O-CB 3.43Å; E250-K253 WeakPolarHBondContact O-CG 3.31Å; E250-K253 PolarHBondContact O-N 2.87Å; E250-K253 IonicContact OE1-NZ 3.77Å; E250-K253 VanDerWaalsContact OE2-CE 3.23Å; E250-K253 WeakPolarHBondContact OE2-CE 3.07Å; E250-K253 IonicContact OE2-NZ 3.72Å; E250-K253 PolarHBondContact OE2-NZ 2.92Å; E250-P256 WeakPolarHBondContact O-CB 3.17Å; E250-T257 WeakPolarHBondContact CG-O 3.31Å; E250-T257 PolarHBondContact OE1-N 2.93Å
251	R	93.8	Very high	93	Very high	102 Å²	102	69.7 Å²	69.7	39%	0.385	40%	0.399	S	S	.	.	H	α-helix	trans	-60.6	-29.2	178.1	-72.4	-179	167.1	-138.7	2.2	112.8	A246 S247 D248 K253 L258 D262 E265	A246-R251 HydrophobicContact CB-CG 3.83Å; S247-R251 PolarHBondContact O-N 2.84Å; D248-R251 PolarHBondContact O-N 3.09Å; R251-K253 VanDerWaalsContact C-N 3.25Å; R251-K253 PolarHBondContact O-N 3.44Å; R251-L258 HydrophobicContact CG-CD2 4.48Å; R251-D262 IonicContact CZ-OD1 3.91Å; R251-D262 IonicContact NE-OD1 3.44Å; R251-D262 IonicContact NH2-OD1 3.01Å; R251-D262 PolarHBondContact NH2-OD1 2.73Å; R251-E265 IonicContact NH2-OE2 3.42Å
252	A	93.3	Very high	93.4	Very high	88 Å²	88	65 Å²	65	73%	0.727	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-10.9	176.3	0	0	0	0	0	114.4	D248 E250	D248-A252 WeakPolarHBondContact O-CB 3.3Å; D248-A252 PolarHBondContact O-N 3.27Å; E250-A252 PolarHBondContact O-N 2.92Å
253	K	90.6	Very high	93.8	Very high	83 Å²	83	54.7 Å²	54.7	36%	0.361	33%	0.33	S	S	.	.	S	Bend	trans	-72.9	152.5	177.3	-63.3	178.1	-178.3	175	0	110.7	E250 R251 S255 P256	E250-K253 VanDerWaalsContact O-CB 3.32Å; E250-K253 WeakPolarHBondContact O-CB 3.43Å; E250-K253 WeakPolarHBondContact O-CG 3.31Å; E250-K253 PolarHBondContact O-N 2.87Å; E250-K253 IonicContact OE1-NZ 3.77Å; E250-K253 VanDerWaalsContact OE2-CE 3.23Å; E250-K253 WeakPolarHBondContact OE2-CE 3.07Å; E250-K253 IonicContact OE2-NZ 3.72Å; E250-K253 PolarHBondContact OE2-NZ 2.92Å; R251-K253 VanDerWaalsContact C-N 3.25Å; R251-K253 PolarHBondContact O-N 3.44Å; K253-S255 PolarHBondContact O-N 3.22Å; K253-S255 VanDerWaalsContact O-N 3.16Å; K253-P256 WeakPolarHBondContact O-CD 3.37Å
254	S	87.9	Confident	94.2	Very high	124 Å²	124	55.5 Å²	55.5	87%	0.867	32%	0.321	S	S	*	.	S	Bend	trans	-63	-21.2	177.1	58.9	0	0	0	0	114.4
255	S	88.1	Confident	94.2	Very high	36 Å²	36	60.6 Å²	60.6	25%	0.252	35%	0.346	S	S	.	.	S	Bend	trans	-144.3	81.8	176.3	-175.2	0	0	0	0	107.8	K234 K253	K234-S255 VanDerWaalsContact CE-O 3.29Å; K234-S255 WeakPolarHBondContact CE-O 3.29Å; K234-S255 WeakPolarHBondContact CE-OG 3.5Å; K234-S255 PolarHBondContact NZ-O 3.08Å; K234-S255 PolarHBondContact NZ-OG 2.77Å; K253-S255 PolarHBondContact O-N 3.22Å; K253-S255 VanDerWaalsContact O-N 3.16Å
256	P	93.4	Very high	94.2	Very high	33 Å²	33	59.7 Å²	59.7	21%	0.214	34%	0.344	C	S	.	.			trans	-70.1	149.1	-175.7	30.7	-35.6	0	0	0	110.9	K234 E250 K253 L258	K234-P256 WeakPolarHBondContact CE-O 3.29Å; E250-P256 WeakPolarHBondContact O-CB 3.17Å; K253-P256 WeakPolarHBondContact O-CD 3.37Å; P256-L258 HydrophobicContact CB-CD2 4.2Å; P256-L258 HydrophobicContact CG-CD2 4.26Å; P256-L258 HydrophobicContact CG-CG 4.48Å
257	T	93.9	Very high	94.3	Very high	45 Å²	45	59.8 Å²	59.8	28%	0.276	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	102.7	164.8	-56	0	0	0	0	108.9	D236 E250	D236-T257 HydrophobicContact CB-CG2 3.96Å; E250-T257 WeakPolarHBondContact CG-O 3.31Å; E250-T257 PolarHBondContact OE1-N 2.93Å
258	L	97	Very high	94.4	Very high	20 Å²	20	60.5 Å²	60.5	11%	0.105	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	169.4	178	-59	-178.9	0	0	0	111.2	K234 Y235 D236 A246 R251 P256 D262 N266	K234-L258 WeakPolarHBondContact O-CB 3.35Å; K234-L258 PolarHBondContact O-N 3.4Å; Y235-L258 CarbonylContact C-O 3.52Å; Y235-L258 VanDerWaalsContact CA-O 3.3Å; Y235-L258 WeakPolarHBondContact CA-O 3.12Å; Y235-L258 HydrophobicContact CD1-CB 3.49Å; Y235-L258 VanDerWaalsContact CD1-CB 3.49Å; Y235-L258 HydrophobicContact CD1-CD1 4.44Å; Y235-L258 HydrophobicContact CE1-CB 3.54Å; Y235-L258 HydrophobicContact CE1-CD1 3.68Å; Y235-L258 HydrophobicContact CE1-CG 4.25Å; Y235-L258 HydrophobicContact CG-CB 4.34Å; D236-L258 PolarHBondContact N-O 3.3Å; A246-L258 HydrophobicContact CB-CD2 3.9Å; R251-L258 HydrophobicContact CG-CD2 4.48Å; P256-L258 HydrophobicContact CB-CD2 4.2Å; P256-L258 HydrophobicContact CG-CD2 4.26Å; P256-L258 HydrophobicContact CG-CG 4.48Å; L258-D262 HydrophobicContact CB-CB 3.78Å; L258-D262 HydrophobicContact CD1-CB 4.36Å; L258-D262 HydrophobicContact CD2-CB 4.28Å; L258-D262 HydrophobicContact CG-CB 4.36Å; L258-N266 WeakPolarHBondContact CD1-ND2 3.25Å
259	K	97.6	Very high	94.4	Very high	58 Å²	58	58.3 Å²	58.3	25%	0.252	33%	0.334	S	S	.	.			trans	-129.6	-171.1	-177	-62.4	-176	-165	155.2	0	111.7	D236 G243 R244 Q245 L261 D262 F263	D236-K259 WeakPolarHBondContact O-CA 3.41Å; G243-K259 PolarHBondContact O-NZ 3.49Å; R244-K259 VanDerWaalsContact C-CB 3.44Å; R244-K259 HydrophobicContact CB-CB 4.43Å; R244-K259 CarbonylContact O-C 3.55Å; R244-K259 WeakPolarHBondContact O-CB 3.48Å; Q245-K259 PolarHBondContact O-NZ 3.1Å; K259-L261 PolarHBondContact O-N 3.4Å; K259-D262 PolarHBondContact N-OD2 2.97Å; K259-D262 WeakPolarHBondContact O-CB 3.31Å; K259-D262 PolarHBondContact O-N 3.23Å; K259-F263 PolarHBondContact O-N 2.94Å
260	D	97.8	Very high	94.6	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	30%	0.304	C	S	.	.	H	α-helix	trans	-57	-44.2	-171	-50	-126.9	0	0	0	113.8	K238 G239 S240 R244 F263 I264 F537	K238-D260 PolarHBondContact N-OD1 3.01Å; K238-D260 PolarHBondContact N-OD2 2.99Å; G239-D260 WeakPolarHBondContact CA-OD1 3.38Å; G239-D260 PolarHBondContact N-OD1 2.86Å; S240-D260 PolarHBondContact N-OD1 3.28Å; S240-D260 WeakPolarHBondContact O-CB 3.42Å; R244-D260 HydrophobicContact CB-CB 3.92Å; R244-D260 IonicContact CZ-OD2 2.89Å; R244-D260 IonicContact NE-OD2 3.04Å; R244-D260 PolarHBondContact NE-OD2 3.5Å; R244-D260 IonicContact NH2-OD2 3.88Å; R244-D260 PolarHBondContact NH2-OD2 2.9Å; R244-D260 PolarHBondContact O-N 2.88Å; D260-F263 WeakPolarHBondContact O-CB 3.23Å; D260-F263 PolarHBondContact O-N 3.38Å; D260-I264 WeakPolarHBondContact O-CD1 3.05Å; D260-I264 VanDerWaalsContact O-CG1 3.28Å; D260-I264 WeakPolarHBondContact O-CG1 3.41Å; D260-I264 PolarHBondContact O-N 2.77Å; D260-F537 HydrophobicContact CB-CE1 4.23Å; D260-F537 HydrophobicContact CB-CZ 3.85Å; D260-F537 WeakPolarHBondContact OD1-CE1 3.45Å
261	L	97.4	Very high	94.8	Very high	59 Å²	59	52.9 Å²	52.9	31%	0.309	30%	0.296	S	S	.	.	H	α-helix	trans	-70.3	-39	-179.9	-63.4	-179.9	0	0	0	111.5	T241 R244 Q245 K259 F263 I264 E265	T241-L261 HydrophobicContact CG2-CD2 4.17Å; T241-L261 WeakPolarHBondContact O-CD1 3.23Å; R244-L261 HydrophobicContact CB-CG 4.48Å; R244-L261 WeakPolarHBondContact O-CB 3.43Å; R244-L261 PolarHBondContact O-N 3.3Å; Q245-L261 HydrophobicContact CB-CB 4.31Å; Q245-L261 HydrophobicContact CB-CD1 4.26Å; K259-L261 PolarHBondContact O-N 3.4Å; L261-F263 VanDerWaalsContact C-N 3.27Å; L261-F263 PolarHBondContact O-N 3.4Å; L261-I264 HydrophobicContact CD2-CD1 4.5Å; L261-I264 PolarHBondContact O-N 2.96Å; L261-E265 WeakPolarHBondContact O-CB 3.48Å; L261-E265 PolarHBondContact O-N 3.45Å
262	D	97.9	Very high	94.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-38.4	173.8	-49.3	-72.9	0	0	0	110.6	Y235 Q245 A246 R251 L258 K259 E265 N266	Y235-D262 HydrophobicContact CE1-CB 4.48Å; Q245-D262 WeakPolarHBondContact CA-OD2 3.27Å; Q245-D262 VanDerWaalsContact CG-OD1 3.22Å; Q245-D262 WeakPolarHBondContact CG-OD1 3.38Å; A246-D262 PolarHBondContact N-OD2 3.43Å; R251-D262 IonicContact CZ-OD1 3.91Å; R251-D262 IonicContact NE-OD1 3.44Å; R251-D262 IonicContact NH2-OD1 3.01Å; R251-D262 PolarHBondContact NH2-OD1 2.73Å; L258-D262 HydrophobicContact CB-CB 3.78Å; L258-D262 HydrophobicContact CD1-CB 4.36Å; L258-D262 HydrophobicContact CD2-CB 4.28Å; L258-D262 HydrophobicContact CG-CB 4.36Å; K259-D262 PolarHBondContact N-OD2 2.97Å; K259-D262 WeakPolarHBondContact O-CB 3.31Å; K259-D262 PolarHBondContact O-N 3.23Å; D262-E265 PolarHBondContact O-N 2.82Å; D262-N266 VanDerWaalsContact O-CB 3.31Å; D262-N266 WeakPolarHBondContact O-CB 3.37Å; D262-N266 PolarHBondContact O-N 3.21Å; D262-N266 PolarHBondContact O-ND2 3.37Å
263	F	98	Very high	94.7	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.7	-46.5	176.9	-176.2	-83.2	0	0	0	111.6	Y235 L237 K259 D260 L261 E265 N266 H267 I271 L304 V542	Y235-F263 HydrophobicContact CD1-CB 3.67Å; Y235-F263 AromaticContact CD1-CD2 3.81Å; Y235-F263 HydrophobicContact CD1-CD2 3.81Å; Y235-F263 HydrophobicContact CD1-CG 4.25Å; Y235-F263 AromaticContact CD2-CD2 3.93Å; Y235-F263 HydrophobicContact CD2-CD2 3.93Å; Y235-F263 HydrophobicContact CD2-CE2 4.5Å; Y235-F263 HydrophobicContact CE1-CB 3.75Å; Y235-F263 AromaticContact CE1-CD2 3.91Å; Y235-F263 HydrophobicContact CE1-CD2 3.91Å; Y235-F263 HydrophobicContact CE1-CG 4.31Å; Y235-F263 HydrophobicContact CE2-CD2 4.02Å; Y235-F263 HydrophobicContact CG-CB 4.46Å; Y235-F263 AromaticContact CG-CD2 3.83Å; Y235-F263 HydrophobicContact CG-CD2 3.83Å; L237-F263 HydrophobicContact CD1-CD2 4.24Å; L237-F263 HydrophobicContact CD2-CB 3.87Å; L237-F263 HydrophobicContact CD2-CD2 4.45Å; L237-F263 HydrophobicContact CD2-CG 4.21Å; K259-F263 PolarHBondContact O-N 2.94Å; D260-F263 WeakPolarHBondContact O-CB 3.23Å; D260-F263 PolarHBondContact O-N 3.38Å; L261-F263 VanDerWaalsContact C-N 3.27Å; L261-F263 PolarHBondContact O-N 3.4Å; F263-E265 VanDerWaalsContact C-N 3.25Å; F263-E265 PolarHBondContact O-N 3.2Å; F263-N266 PolarHBondContact O-N 3.25Å; F263-H267 HydrophobicContact CD1-CB 4.45Å; F263-H267 HydrophobicContact CE1-CB 3.97Å; F263-H267 HydrophobicContact CE2-CB 4.28Å; F263-H267 HydrophobicContact CZ-CB 3.88Å; F263-H267 WeakPolarHBondContact O-CA 3.1Å; F263-H267 PolarHBondContact O-N 2.93Å; F263-I271 HydrophobicContact CE2-CD1 3.81Å; F263-I271 HydrophobicContact CE2-CG1 4.43Å; F263-I271 HydrophobicContact CZ-CD1 3.96Å; F263-I271 HydrophobicContact CZ-CG1 4.15Å; F263-L304 HydrophobicContact CD2-CD2 4.45Å; F263-L304 HydrophobicContact CE2-CD2 3.88Å; F263-V542 HydrophobicContact CD1-CG2 4.31Å; F263-V542 HydrophobicContact CE1-CB 4.14Å; F263-V542 HydrophobicContact CE1-CG1 4.17Å; F263-V542 HydrophobicContact CE1-CG2 4.06Å; F263-V542 HydrophobicContact CE2-CG1 4.02Å; F263-V542 HydrophobicContact CZ-CB 4.11Å; F263-V542 HydrophobicContact CZ-CG1 3.66Å; F263-V542 HydrophobicContact CZ-CG2 4.38Å
264	I	96.6	Very high	94.5	Very high	70 Å²	70	46.3 Å²	46.3	36%	0.359	25%	0.253	S	S	.	.	H	α-helix	trans	-61.9	-37	178.7	-66.8	162.1	0	0	0	110.9	D260 L261 P268 F537 T541	D260-I264 WeakPolarHBondContact O-CD1 3.05Å; D260-I264 VanDerWaalsContact O-CG1 3.28Å; D260-I264 WeakPolarHBondContact O-CG1 3.41Å; D260-I264 PolarHBondContact O-N 2.77Å; L261-I264 HydrophobicContact CD2-CD1 4.5Å; L261-I264 PolarHBondContact O-N 2.96Å; I264-P268 WeakPolarHBondContact O-CA 3.27Å; I264-F537 HydrophobicContact CD1-CE2 4.07Å; I264-F537 HydrophobicContact CG1-CE2 4.24Å; I264-T541 HydrophobicContact CG1-CG2 4.03Å
265	E	96.1	Very high	94.6	Very high	127 Å²	127	41.8 Å²	41.8	59%	0.593	22%	0.224	S	C	*	.	H	α-helix	trans	-68.3	-47	176.2	-175.1	179.9	-174.1	0	0	111.9	R251 L261 D262 F263	R251-E265 IonicContact NH2-OE2 3.42Å; L261-E265 WeakPolarHBondContact O-CB 3.48Å; L261-E265 PolarHBondContact O-N 3.45Å; D262-E265 PolarHBondContact O-N 2.82Å; F263-E265 VanDerWaalsContact C-N 3.25Å; F263-E265 PolarHBondContact O-N 3.2Å
266	N	95.8	Very high	94.6	Very high	76 Å²	76	45.7 Å²	45.7	41%	0.406	24%	0.238	S	C	.	.	H	α-helix	trans	-77.8	-31.8	-175.3	-67.6	-12.5	0	0	0	113.5	Y235 L258 D262 F263	Y235-N266 WeakPolarHBondContact OH-CB 3.21Å; Y235-N266 PolarHBondContact OH-ND2 3.13Å; L258-N266 WeakPolarHBondContact CD1-ND2 3.25Å; D262-N266 VanDerWaalsContact O-CB 3.31Å; D262-N266 WeakPolarHBondContact O-CB 3.37Å; D262-N266 PolarHBondContact O-N 3.21Å; D262-N266 PolarHBondContact O-ND2 3.37Å; F263-N266 PolarHBondContact O-N 3.25Å
267	H	95.7	Very high	94.3	Very high	10 Å²	10	44.5 Å²	44.5	5%	0.046	23%	0.23	C	C	.	.			trans	-130.2	65.7	-175.4	-63.9	-84.5	0	0	0	110.6	E233 Y235 F263 D269 G270	E233-H267 IonicContact OE1-CE1 2.76Å; E233-H267 IonicContact OE1-NE2 3.78Å; E233-H267 PolarHBondContact OE1-NE2 2.83Å; E233-H267 IonicContact OE2-CD2 3.3Å; E233-H267 IonicContact OE2-CE1 3.84Å; E233-H267 IonicContact OE2-NE2 2.61Å; E233-H267 PolarHBondContact OE2-NE2 2.89Å; Y235-H267 PolarHBondContact OH-CD2 2.95Å; F263-H267 HydrophobicContact CD1-CB 4.45Å; F263-H267 HydrophobicContact CE1-CB 3.97Å; F263-H267 HydrophobicContact CE2-CB 4.28Å; F263-H267 HydrophobicContact CZ-CB 3.88Å; F263-H267 WeakPolarHBondContact O-CA 3.1Å; F263-H267 PolarHBondContact O-N 2.93Å; H267-D269 VanDerWaalsContact C-N 3.27Å; H267-D269 PolarHBondContact O-N 3.24Å; H267-G270 PolarHBondContact O-N 3.47Å
268	P	94.8	Very high	94.3	Very high	86 Å²	86	44 Å²	44	56%	0.558	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-35	-175.2	23.3	-34.2	0	0	0	113.2	I264	I264-P268 WeakPolarHBondContact O-CA 3.27Å
269	D	93.3	Very high	94	Very high	92 Å²	92	46.6 Å²	46.6	49%	0.492	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	7.4	175.3	-44.8	-63.5	0	0	0	113.2	H267 T484 K544	H267-D269 VanDerWaalsContact C-N 3.27Å; H267-D269 PolarHBondContact O-N 3.24Å; D269-T484 HydrophobicContact CB-CG2 3.61Å; D269-K544 WeakPolarHBondContact O-CE 3.47Å; D269-K544 WeakPolarHBondContact O-CG 3.42Å
270	G	95.3	Very high	93.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.			trans	69	-169.7	179.8	0	0	0	0	0	114.7	H267 T541	H267-G270 PolarHBondContact O-N 3.47Å; G270-T541 WeakPolarHBondContact CA-O 3.42Å
271	I	95.8	Very high	93.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.1	-178.3	-64.7	168.2	0	0	0	109.7	F263 L304 I306 A481 L489 L491 V542 F543 K544	F263-I271 HydrophobicContact CE2-CD1 3.81Å; F263-I271 HydrophobicContact CE2-CG1 4.43Å; F263-I271 HydrophobicContact CZ-CD1 3.96Å; F263-I271 HydrophobicContact CZ-CG1 4.15Å; I271-L304 HydrophobicContact CD1-CD2 3.92Å; I271-I306 HydrophobicContact CD1-CD1 3.54Å; I271-I306 HydrophobicContact CD1-CG1 4.41Å; I271-A481 HydrophobicContact CG2-CB 3.61Å; I271-L489 HydrophobicContact CG1-CD1 4.48Å; I271-L489 HydrophobicContact CG2-CD1 4.09Å; I271-L491 HydrophobicContact CD1-CD2 4.39Å; I271-L491 HydrophobicContact CG2-CD1 3.95Å; I271-L491 HydrophobicContact CG2-CD2 4.23Å; I271-V542 PolarHBondContact N-O 3.44Å; I271-F543 HydrophobicContact CB-CD1 4.13Å; I271-F543 HydrophobicContact CB-CE1 4.44Å; I271-F543 HydrophobicContact CG2-CD1 4.31Å; I271-F543 HydrophobicContact CG2-CE1 4.48Å; I271-F543 CarbonylContact O-C 3.57Å; I271-F543 WeakPolarHBondContact O-CA 3.3Å; I271-K544 PolarHBondContact O-N 3.13Å
272	W	94.2	Very high	93.3	Very high	53 Å²	53	44.3 Å²	44.3	20%	0.201	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	127.1	-174.4	-64	86.3	0	0	0	111.7	A481 R482 K544 I546 V554 F555	W272-A481 CarbonylContact O-C 3.55Å; W272-A481 WeakPolarHBondContact O-CA 3.38Å; W272-A481 WeakPolarHBondContact O-CB 3.41Å; W272-R482 HydrophobicContact CB-CB 4.34Å; W272-R482 PolarHBondContact N-O 3.39Å; W272-R482 PolarHBondContact O-N 2.76Å; W272-K544 HydrophobicContact CD2-CB 3.81Å; W272-K544 HydrophobicContact CD2-CG 4.46Å; W272-K544 HydrophobicContact CE3-CB 3.68Å; W272-K544 HydrophobicContact CG-CB 4.37Å; W272-K544 HydrophobicContact CH2-CB 4.38Å; W272-K544 HydrophobicContact CZ2-CB 4.48Å; W272-K544 HydrophobicContact CZ3-CB 3.99Å; W272-I546 HydrophobicContact CB-CD1 4.12Å; W272-I546 HydrophobicContact CB-CG1 3.89Å; W272-I546 HydrophobicContact CE3-CG1 3.99Å; W272-V554 HydrophobicContact CZ2-CG1 4.31Å; W272-F555 HydrophobicContact CD2-CZ 4.42Å; W272-F555 HydrophobicContact CG-CZ 4.16Å
273	L	90.8	Very high	93	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	145	176.4	-66.3	177.6	0	0	0	110.2	T277 Y278 L281 I479 P480 A481 L491 F543 K544 I546	L273-T277 HydrophobicContact CD2-CG2 4.3Å; L273-Y278 HydrophobicContact CD1-CD2 4.49Å; L273-L281 HydrophobicContact CD1-CD2 3.57Å; L273-I479 HydrophobicContact CD2-CG2 4.02Å; L273-P480 WeakPolarHBondContact CD2-O 3.46Å; L273-A481 HydrophobicContact CD2-CB 3.57Å; L273-L491 HydrophobicContact CD2-CD1 3.94Å; L273-F543 HydrophobicContact CD1-CB 3.86Å; L273-F543 HydrophobicContact CD1-CD1 3.77Å; L273-F543 HydrophobicContact CD1-CD2 4.5Å; L273-F543 HydrophobicContact CD1-CG 3.77Å; L273-F543 HydrophobicContact CG-CD1 4.19Å; L273-K544 PolarHBondContact N-O 3.27Å; L273-I546 WeakPolarHBondContact O-CB 3.25Å; L273-I546 VanDerWaalsContact O-CG1 3.31Å; L273-I546 WeakPolarHBondContact O-CG1 3.36Å; L273-I546 PolarHBondContact O-N 2.79Å
274	E	88.2	Confident	92.8	Very high	82 Å²	82	50 Å²	50	38%	0.383	26%	0.256	S	S	.	.			trans	-56.7	145.4	168.9	-67.3	-173.8	170.5	0	0	110.9	E276 T277 Y278 A461	E274-E276 VanDerWaalsContact C-N 3.33Å; E274-E276 PolarHBondContact O-N 3.45Å; E274-T277 WeakPolarHBondContact O-CB 3.29Å; E274-T277 PolarHBondContact O-N 3.03Å; E274-Y278 WeakPolarHBondContact O-CB 3.41Å; E274-Y278 PolarHBondContact O-N 3.22Å; E274-A461 WeakPolarHBondContact OE2-CB 3.32Å
275	A	88.3	Confident	92.7	Very high	30 Å²	30	46.8 Å²	46.8	25%	0.248	24%	0.239	C	C	.	.	H	α-helix	trans	-48.8	-50	-174.5	0	0	0	0	0	113.5	T277 Y278 D279 R545	A275-T277 PolarHBondContact O-N 3.3Å; A275-Y278 PolarHBondContact O-N 3.19Å; A275-D279 WeakPolarHBondContact O-CB 3.39Å; A275-D279 PolarHBondContact O-N 3.39Å; A275-R545 HydrophobicContact CB-CG 4.46Å
276	E	88	Confident	92.6	Very high	118 Å²	118	45.6 Å²	45.6	55%	0.551	23%	0.234	S	C	*	.	H	α-helix	trans	-64.5	-40.7	-179.3	-63.3	-174.6	-175.8	0	0	112.4	E274 A280 A459	E274-E276 VanDerWaalsContact C-N 3.33Å; E274-E276 PolarHBondContact O-N 3.45Å; E276-A280 VanDerWaalsContact O-CB 3.25Å; E276-A280 WeakPolarHBondContact O-CB 3.44Å; E276-A280 PolarHBondContact O-N 3.42Å; E276-A459 WeakPolarHBondContact OE2-CB 3.29Å
277	T	88.2	Confident	92.4	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.043	23%	0.229	C	C	.	.	H	α-helix	trans	-67.8	-44.5	178.8	-62.5	0	0	0	0	111.2	L273 E274 A275 A280 L281 I457 I479	L273-T277 HydrophobicContact CD2-CG2 4.3Å; E274-T277 WeakPolarHBondContact O-CB 3.29Å; E274-T277 PolarHBondContact O-N 3.03Å; A275-T277 PolarHBondContact O-N 3.3Å; T277-A280 PolarHBondContact O-N 3.25Å; T277-L281 VanDerWaalsContact O-CB 3.24Å; T277-L281 WeakPolarHBondContact O-CB 3.38Å; T277-L281 PolarHBondContact O-N 2.86Å; T277-I457 HydrophobicContact CG2-CD1 4.37Å; T277-I479 HydrophobicContact CG2-CG2 3.36Å
278	Y	92.7	Very high	92.4	Very high	36 Å²	36	45.4 Å²	45.4	14%	0.141	23%	0.227	C	C	.	.	H	α-helix	trans	-59.2	-50.5	175.1	176.4	-89.1	0	0	0	111.3	L273 E274 A275 A280 L281 L282 G539 F543 R545	L273-Y278 HydrophobicContact CD1-CD2 4.49Å; E274-Y278 WeakPolarHBondContact O-CB 3.41Å; E274-Y278 PolarHBondContact O-N 3.22Å; A275-Y278 PolarHBondContact O-N 3.19Å; Y278-A280 VanDerWaalsContact C-N 3.33Å; Y278-A280 PolarHBondContact O-N 3.36Å; Y278-L281 PolarHBondContact O-N 3.28Å; Y278-L282 HydrophobicContact CD1-CD1 4.27Å; Y278-L282 HydrophobicContact CE1-CD1 3.46Å; Y278-L282 VanDerWaalsContact CE1-CD1 3.46Å; Y278-L282 HydrophobicContact CE1-CG 4.16Å; Y278-L282 HydrophobicContact CE2-CD1 3.99Å; Y278-L282 HydrophobicContact CE2-CG 4.34Å; Y278-L282 PolarHBondContact O-N 3.1Å; Y278-L282 VanDerWaalsContact OH-CD1 3.3Å; Y278-L282 WeakPolarHBondContact OH-CD1 3.36Å; Y278-G539 PolarHBondContact OH-O 3.43Å; Y278-F543 HydrophobicContact CD2-CB 4.22Å; Y278-F543 HydrophobicContact CE2-CB 4.24Å; Y278-R545 HydrophobicContact CD1-CB 3.65Å; Y278-R545 HydrophobicContact CD1-CG 3.61Å; Y278-R545 HydrophobicContact CD2-CB 3.99Å; Y278-R545 HydrophobicContact CE1-CB 3.77Å; Y278-R545 HydrophobicContact CE1-CG 4.09Å; Y278-R545 HydrophobicContact CE2-CB 4.09Å; Y278-R545 HydrophobicContact CG-CB 3.75Å; Y278-R545 HydrophobicContact CG-CG 3.89Å
279	D	92.1	Very high	92.3	Very high	73 Å²	73	41.3 Å²	41.3	39%	0.39	20%	0.201	S	C	.	.	H	α-helix	trans	-63.8	-40.1	-178.3	-65.9	-21.8	0	0	0	110.7	A275 K283 R545	A275-D279 WeakPolarHBondContact O-CB 3.39Å; A275-D279 PolarHBondContact O-N 3.39Å; D279-K283 VanDerWaalsContact O-CB 3.29Å; D279-K283 WeakPolarHBondContact O-CB 3.24Å; D279-K283 PolarHBondContact O-N 3.24Å; D279-K283 VanDerWaalsContact O-N 3.14Å; D279-R545 IonicContact OD1-CZ 3.73Å; D279-R545 IonicContact OD1-NE 3.03Å; D279-R545 PolarHBondContact OD1-NE 3.28Å; D279-R545 IonicContact OD1-NH2 3.02Å; D279-R545 IonicContact OD2-CZ 3.49Å; D279-R545 IonicContact OD2-NE 2.86Å; D279-R545 PolarHBondContact OD2-NE 3Å; D279-R545 IonicContact OD2-NH2 2.8Å; D279-R545 PolarHBondContact OD2-NH2 2.96Å
280	A	90.5	Very high	92.2	Very high	17 Å²	17	40.7 Å²	40.7	14%	0.14	20%	0.197	C	C	.	.	H	α-helix	trans	-66.7	-39.4	175.4	0	0	0	0	0	112.9	E276 T277 Y278 T284 I457	E276-A280 VanDerWaalsContact O-CB 3.25Å; E276-A280 WeakPolarHBondContact O-CB 3.44Å; E276-A280 PolarHBondContact O-N 3.42Å; T277-A280 PolarHBondContact O-N 3.25Å; Y278-A280 VanDerWaalsContact C-N 3.33Å; Y278-A280 PolarHBondContact O-N 3.36Å; A280-T284 PolarHBondContact O-N 3.4Å; A280-T284 VanDerWaalsContact O-N 3.13Å; A280-T284 PolarHBondContact O-OG1 2.89Å; A280-I457 HydrophobicContact CB-CD1 4.41Å
281	L	92	Very high	92	Very high	9 Å²	9	41.6 Å²	41.6	5%	0.047	20%	0.202	C	C	.	.	H	α-helix	trans	-66.1	-51.2	179	175.8	56.6	0	0	0	111.2	L199 L273 T277 Y278 K283 T284 I285 I493 F543	L199-L281 HydrophobicContact CD1-CD1 3.87Å; L273-L281 HydrophobicContact CD1-CD2 3.57Å; T277-L281 VanDerWaalsContact O-CB 3.24Å; T277-L281 WeakPolarHBondContact O-CB 3.38Å; T277-L281 PolarHBondContact O-N 2.86Å; Y278-L281 PolarHBondContact O-N 3.28Å; L281-K283 VanDerWaalsContact C-N 3.33Å; L281-K283 PolarHBondContact O-N 3.1Å; L281-T284 WeakPolarHBondContact O-CA 3.39Å; L281-T284 WeakPolarHBondContact O-CB 3.3Å; L281-T284 PolarHBondContact O-N 3.47Å; L281-I285 HydrophobicContact CD1-CD1 3.85Å; L281-I285 HydrophobicContact CD1-CG1 4.18Å; L281-I285 HydrophobicContact CG-CD1 3.9Å; L281-I285 WeakPolarHBondContact O-CG1 3.39Å; L281-I285 PolarHBondContact O-N 3.06Å; L281-I493 HydrophobicContact CD1-CD1 3.34Å; L281-I493 HydrophobicContact CD2-CD1 4.16Å; L281-I493 HydrophobicContact CG-CD1 4.41Å; L281-F543 HydrophobicContact CD2-CD2 3.53Å; L281-F543 HydrophobicContact CD2-CE2 3.62Å; L281-F543 HydrophobicContact CD2-CG 4.06Å; L281-F543 HydrophobicContact CD2-CZ 4.22Å
282	L	94.4	Very high	91.8	Very high	45 Å²	45	41.6 Å²	41.6	24%	0.236	20%	0.203	C	C	.	.	H	α-helix	trans	-63.1	-40	179.8	-71.4	-163.8	0	0	0	112.5	Y278 T284 I285 E286	Y278-L282 HydrophobicContact CD1-CD1 4.27Å; Y278-L282 HydrophobicContact CE1-CD1 3.46Å; Y278-L282 VanDerWaalsContact CE1-CD1 3.46Å; Y278-L282 HydrophobicContact CE1-CG 4.16Å; Y278-L282 HydrophobicContact CE2-CD1 3.99Å; Y278-L282 HydrophobicContact CE2-CG 4.34Å; Y278-L282 PolarHBondContact O-N 3.1Å; Y278-L282 VanDerWaalsContact OH-CD1 3.3Å; Y278-L282 WeakPolarHBondContact OH-CD1 3.36Å; L282-T284 PolarHBondContact O-N 3Å; L282-I285 HydrophobicContact CD2-CD1 4.25Å; L282-I285 PolarHBondContact O-N 3.49Å; L282-E286 WeakPolarHBondContact O-CB 3.49Å; L282-E286 PolarHBondContact O-N 2.97Å
283	K	93.4	Very high	91.7	Very high	106 Å²	106	42.6 Å²	42.6	46%	0.461	21%	0.208	S	C	.	.	H	α-helix	trans	-60.4	-34.6	173.7	-174.7	172	-175	169.7	0	112.4	D279 L281 R287	D279-K283 VanDerWaalsContact O-CB 3.29Å; D279-K283 WeakPolarHBondContact O-CB 3.24Å; D279-K283 PolarHBondContact O-N 3.24Å; D279-K283 VanDerWaalsContact O-N 3.14Å; L281-K283 VanDerWaalsContact C-N 3.33Å; L281-K283 PolarHBondContact O-N 3.1Å; K283-R287 WeakPolarHBondContact O-CD 3.4Å; K283-R287 VanDerWaalsContact O-CG 3.29Å; K283-R287 WeakPolarHBondContact O-CG 3.17Å; K283-R287 PolarHBondContact O-N 3.23Å
284	T	93.4	Very high	91.6	Very high	12 Å²	12	46.4 Å²	46.4	7%	0.074	24%	0.235	C	C	.	.	H	α-helix	trans	-71.1	-47.4	176.5	-57.8	0	0	0	0	111	R197 L199 A280 L281 L282 E286 R287 D288	R197-T284 HydrophobicContact CB-CG2 4.44Å; R197-T284 WeakPolarHBondContact O-CG2 3.38Å; L199-T284 HydrophobicContact CG-CG2 3.98Å; A280-T284 PolarHBondContact O-N 3.4Å; A280-T284 VanDerWaalsContact O-N 3.13Å; A280-T284 PolarHBondContact O-OG1 2.89Å; L281-T284 WeakPolarHBondContact O-CA 3.39Å; L281-T284 WeakPolarHBondContact O-CB 3.3Å; L281-T284 PolarHBondContact O-N 3.47Å; L282-T284 PolarHBondContact O-N 3Å; T284-E286 VanDerWaalsContact C-N 3.3Å; T284-E286 PolarHBondContact O-N 3.21Å; T284-R287 PolarHBondContact O-N 3.32Å; T284-D288 PolarHBondContact O-N 2.97Å
285	I	94.2	Very high	91.6	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.015	22%	0.224	C	C	.	.	H	α-helix	trans	-60	-41.7	177.2	-68.1	166.2	0	0	0	111.1	L199 L281 L282 D288 C289 F534 Q535 I538	L199-I285 HydrophobicContact CD1-CD1 4.36Å; L199-I285 HydrophobicContact CD1-CG1 3.62Å; L281-I285 HydrophobicContact CD1-CD1 3.85Å; L281-I285 HydrophobicContact CD1-CG1 4.18Å; L281-I285 HydrophobicContact CG-CD1 3.9Å; L281-I285 WeakPolarHBondContact O-CG1 3.39Å; L281-I285 PolarHBondContact O-N 3.06Å; L282-I285 HydrophobicContact CD2-CD1 4.25Å; L282-I285 PolarHBondContact O-N 3.49Å; I285-D288 PolarHBondContact O-N 2.97Å; I285-C289 VanDerWaalsContact O-CB 3.3Å; I285-C289 WeakPolarHBondContact O-CB 3Å; I285-C289 PolarHBondContact O-N 2.89Å; I285-C289 PolarHBondContact O-SG 2.96Å; I285-F534 HydrophobicContact CG2-CD1 4.33Å; I285-F534 HydrophobicContact CG2-CE1 4.03Å; I285-Q535 HydrophobicContact CG2-CG 3.99Å; I285-I538 HydrophobicContact CD1-CB 4.41Å; I285-I538 HydrophobicContact CD1-CG2 3.51Å
286	E	93.9	Very high	91.6	Very high	103 Å²	103	49.6 Å²	49.6	48%	0.481	24%	0.238	S	C	.	.	H	α-helix	trans	-57.3	-51.7	176.6	-179.3	-177.3	-167.8	0	0	110.7	L282 T284 D288 C289 L290	L282-E286 WeakPolarHBondContact O-CB 3.49Å; L282-E286 PolarHBondContact O-N 2.97Å; T284-E286 VanDerWaalsContact C-N 3.3Å; T284-E286 PolarHBondContact O-N 3.21Å; E286-D288 PolarHBondContact O-N 3.2Å; E286-C289 WeakPolarHBondContact O-CB 3.29Å; E286-C289 PolarHBondContact O-N 2.94Å; E286-L290 WeakPolarHBondContact O-CG 3.18Å; E286-L290 PolarHBondContact O-N 2.86Å
287	R	92.2	Very high	91.7	Very high	80 Å²	80	44 Å²	44	30%	0.302	21%	0.212	S	C	.	.	H	α-helix	trans	-60.7	-44.5	178.9	-74.4	168	164.3	-169.9	-12.6	112.6	H195 K283 T284 C289 L290 V291	H195-R287 VanDerWaalsContact CD2-CD 3.42Å; H195-R287 WeakPolarHBondContact CD2-CD 3.49Å; H195-R287 PolarHBondContact CD2-NH1 3.12Å; H195-R287 WeakPolarHBondContact NE2-CD 3.14Å; H195-R287 PolarHBondContact NE2-NE 3.5Å; H195-R287 VanDerWaalsContact NE2-NE 3.18Å; H195-R287 PolarHBondContact NE2-NH1 2.93Å; K283-R287 WeakPolarHBondContact O-CD 3.4Å; K283-R287 VanDerWaalsContact O-CG 3.29Å; K283-R287 WeakPolarHBondContact O-CG 3.17Å; K283-R287 PolarHBondContact O-N 3.23Å; T284-R287 PolarHBondContact O-N 3.32Å; R287-C289 VanDerWaalsContact C-N 3.32Å; R287-C289 PolarHBondContact O-N 3.35Å; R287-L290 VanDerWaalsContact O-CB 3.3Å; R287-L290 WeakPolarHBondContact O-CB 3.16Å; R287-L290 PolarHBondContact O-N 2.84Å; R287-L290 VanDerWaalsContact O-N 3.1Å; R287-V291 PolarHBondContact O-N 3.15Å
288	D	93.8	Very high	91.7	Very high	1 Å²	1	44 Å²	44	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-64.2	-39.4	176.8	-71.1	-20.8	0	0	0	111.4	N191 T198 L199 L200 T284 I285 E286 L290 V291 L292	N191-D288 PolarHBondContact ND2-OD1 2.81Å; T198-D288 VanDerWaalsContact CB-OD1 3.3Å; T198-D288 WeakPolarHBondContact CB-OD1 3.44Å; T198-D288 VanDerWaalsContact OG1-CG 3.25Å; T198-D288 PolarHBondContact OG1-OD1 2.8Å; T198-D288 PolarHBondContact OG1-OD2 2.84Å; L199-D288 WeakPolarHBondContact CA-OD2 3.29Å; L199-D288 WeakPolarHBondContact CB-OD2 3.26Å; L199-D288 PolarHBondContact N-OD2 2.93Å; L200-D288 HydrophobicContact CD2-CB 4.08Å; L200-D288 HydrophobicContact CG-CB 4.18Å; T284-D288 PolarHBondContact O-N 2.97Å; I285-D288 PolarHBondContact O-N 2.97Å; E286-D288 PolarHBondContact O-N 3.2Å; D288-L290 VanDerWaalsContact C-N 3.27Å; D288-L290 PolarHBondContact O-N 2.82Å; D288-V291 PolarHBondContact O-N 2.97Å; D288-V291 VanDerWaalsContact O-N 3.13Å; D288-L292 WeakPolarHBondContact O-CG 3.49Å; D288-L292 PolarHBondContact O-N 2.81Å
289	C	93.7	Very high	91.4	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-64.1	-30.3	173.6	-74	0	0	0	0	112.7	I285 E286 R287 V291 K293 A531 Q535	I285-C289 VanDerWaalsContact O-CB 3.3Å; I285-C289 WeakPolarHBondContact O-CB 3Å; I285-C289 PolarHBondContact O-N 2.89Å; I285-C289 PolarHBondContact O-SG 2.96Å; E286-C289 WeakPolarHBondContact O-CB 3.29Å; E286-C289 PolarHBondContact O-N 2.94Å; R287-C289 VanDerWaalsContact C-N 3.32Å; R287-C289 PolarHBondContact O-N 3.35Å; C289-V291 VanDerWaalsContact C-N 3.33Å; C289-K293 WeakPolarHBondContact O-CB 3.45Å; C289-K293 VanDerWaalsContact O-CG 3.24Å; C289-K293 WeakPolarHBondContact O-CG 3.41Å; C289-K293 PolarHBondContact O-N 2.92Å; C289-A531 HydrophobicContact CB-CB 4.18Å; C289-Q535 HydrophobicContact CB-CG 4.09Å
290	L	91.3	Very high	91.5	Very high	79 Å²	79	42.4 Å²	42.4	41%	0.414	21%	0.205	S	C	.	.	H	α-helix	trans	-62.8	-40.3	172	-61.2	-178.3	0	0	0	111.8	E286 R287 D288 K293 S294	E286-L290 WeakPolarHBondContact O-CG 3.18Å; E286-L290 PolarHBondContact O-N 2.86Å; R287-L290 VanDerWaalsContact O-CB 3.3Å; R287-L290 WeakPolarHBondContact O-CB 3.16Å; R287-L290 PolarHBondContact O-N 2.84Å; R287-L290 VanDerWaalsContact O-N 3.1Å; D288-L290 VanDerWaalsContact C-N 3.27Å; D288-L290 PolarHBondContact O-N 2.82Å; L290-K293 HydrophobicContact CD2-CD 4.32Å; L290-K293 WeakPolarHBondContact O-CG 3.3Å; L290-S294 WeakPolarHBondContact O-CB 3.49Å; L290-S294 PolarHBondContact O-N 2.88Å
291	V	90.3	Very high	91.8	Very high	18 Å²	18	41.6 Å²	41.6	11%	0.109	20%	0.199	C	C	.	.	H	α-helix	trans	-69.9	-48.2	176.5	-179.4	0	0	0	0	110.3	N191 L200 R287 D288 C289 K293 S294 F295	N191-V291 HydrophobicContact CB-CG2 3.8Å; L200-V291 HydrophobicContact CD1-CG1 4.33Å; R287-V291 PolarHBondContact O-N 3.15Å; D288-V291 PolarHBondContact O-N 2.97Å; D288-V291 VanDerWaalsContact O-N 3.13Å; C289-V291 VanDerWaalsContact C-N 3.33Å; V291-K293 VanDerWaalsContact C-N 3.34Å; V291-K293 PolarHBondContact O-N 2.76Å; V291-S294 PolarHBondContact O-N 2.88Å; V291-S294 PolarHBondContact O-OG 3.35Å; V291-F295 HydrophobicContact CG1-CD2 4.34Å; V291-F295 HydrophobicContact CG1-CE2 4.49Å; V291-F295 WeakPolarHBondContact O-CD2 3.41Å; V291-F295 PolarHBondContact O-N 2.92Å
292	L	92.9	Very high	92	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-61.6	-42.6	-177.8	-65.4	169.6	0	0	0	112	L200 D288 F295 R296 I297 Y300 V495 I498	L200-L292 HydrophobicContact CD2-CD1 3.96Å; L200-L292 HydrophobicContact CD2-CD2 3.9Å; L200-L292 HydrophobicContact CD2-CG 4.01Å; D288-L292 WeakPolarHBondContact O-CG 3.49Å; D288-L292 PolarHBondContact O-N 2.81Å; L292-F295 PolarHBondContact O-N 3.23Å; L292-R296 PolarHBondContact O-N 3.34Å; L292-I297 HydrophobicContact CB-CB 4.37Å; L292-I297 HydrophobicContact CD2-CB 4.17Å; L292-I297 HydrophobicContact CD2-CD1 3.79Å; L292-I297 HydrophobicContact CD2-CG2 4.04Å; L292-I297 WeakPolarHBondContact O-CB 3.33Å; L292-I297 PolarHBondContact O-N 3.05Å; L292-Y300 HydrophobicContact CB-CD1 4.39Å; L292-Y300 HydrophobicContact CB-CE1 3.83Å; L292-Y300 HydrophobicContact CD1-CD1 3.97Å; L292-Y300 HydrophobicContact CD1-CD2 3.78Å; L292-Y300 HydrophobicContact CD1-CE1 3.82Å; L292-Y300 HydrophobicContact CD1-CE2 3.63Å; L292-Y300 HydrophobicContact CD1-CG 3.93Å; L292-Y300 HydrophobicContact CG-CE1 4.35Å; L292-V495 HydrophobicContact CD1-CG1 4.07Å; L292-I498 HydrophobicContact CD2-CB 3.86Å; L292-I498 HydrophobicContact CD2-CG2 3.69Å
293	K	90.8	Very high	92.1	Very high	73 Å²	73	40.2 Å²	40.2	32%	0.317	19%	0.191	S	C	.	.	H	α-helix	trans	-68.6	-35.4	178.1	79.7	-171	-172.3	-178.9	0	112.4	C289 L290 V291 F295 R296 L528 A531	C289-K293 WeakPolarHBondContact O-CB 3.45Å; C289-K293 VanDerWaalsContact O-CG 3.24Å; C289-K293 WeakPolarHBondContact O-CG 3.41Å; C289-K293 PolarHBondContact O-N 2.92Å; L290-K293 HydrophobicContact CD2-CD 4.32Å; L290-K293 WeakPolarHBondContact O-CG 3.3Å; V291-K293 VanDerWaalsContact C-N 3.34Å; V291-K293 PolarHBondContact O-N 2.76Å; K293-F295 VanDerWaalsContact C-N 3.26Å; K293-F295 PolarHBondContact O-N 2.99Å; K293-R296 PolarHBondContact O-N 2.92Å; K293-L528 HydrophobicContact CD-CD1 3.99Å; K293-A531 HydrophobicContact CB-CB 4.23Å
294	S	88.5	Confident	92.2	Very high	81 Å²	81	35.1 Å²	35.1	57%	0.566	17%	0.169	S	C	*	.	H	α-helix	trans	-64.3	-34.3	179	74.2	0	0	0	0	111.6	L290 V291 R296	L290-S294 WeakPolarHBondContact O-CB 3.49Å; L290-S294 PolarHBondContact O-N 2.88Å; V291-S294 PolarHBondContact O-N 2.88Å; V291-S294 PolarHBondContact O-OG 3.35Å; S294-R296 VanDerWaalsContact C-N 3.29Å; S294-R296 PolarHBondContact O-N 2.93Å
295	F	88.1	Confident	92.3	Very high	33 Å²	33	34.6 Å²	34.6	15%	0.145	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-0.3	173.8	-83	-88.2	0	0	0	115.3	F180 L184 E187 V291 L292 K293 I297	F180-F295 HydrophobicContact CE2-CD1 4.21Å; F180-F295 HydrophobicContact CZ-CB 4.19Å; F180-F295 HydrophobicContact CZ-CD1 4.19Å; L184-F295 HydrophobicContact CB-CD1 4.48Å; L184-F295 HydrophobicContact CB-CE1 4.14Å; L184-F295 HydrophobicContact CB-CZ 4.48Å; L184-F295 HydrophobicContact CD1-CD1 3.75Å; L184-F295 HydrophobicContact CD1-CD2 3.51Å; L184-F295 HydrophobicContact CD1-CE1 3.7Å; L184-F295 HydrophobicContact CD1-CE2 3.46Å; L184-F295 VanDerWaalsContact CD1-CE2 3.46Å; L184-F295 HydrophobicContact CD1-CG 3.63Å; L184-F295 HydrophobicContact CD1-CZ 3.52Å; E187-F295 HydrophobicContact CB-CE2 3.26Å; E187-F295 HydrophobicContact CB-CZ 3.42Å; E187-F295 VanDerWaalsContact CB-CZ 3.42Å; E187-F295 HydrophobicContact CG-CE2 3.48Å; E187-F295 VanDerWaalsContact CG-CE2 3.48Å; E187-F295 HydrophobicContact CG-CZ 3.42Å; E187-F295 VanDerWaalsContact CG-CZ 3.42Å; E187-F295 WeakPolarHBondContact OE2-CZ 3.34Å; V291-F295 HydrophobicContact CG1-CD2 4.34Å; V291-F295 HydrophobicContact CG1-CE2 4.49Å; V291-F295 WeakPolarHBondContact O-CD2 3.41Å; V291-F295 PolarHBondContact O-N 2.92Å; L292-F295 PolarHBondContact O-N 3.23Å; K293-F295 VanDerWaalsContact C-N 3.26Å; K293-F295 PolarHBondContact O-N 2.99Å; F295-I297 HydrophobicContact CB-CD1 3.58Å; F295-I297 HydrophobicContact CB-CG1 3.65Å; F295-I297 HydrophobicContact CG-CD1 4.33Å; F295-I297 PolarHBondContact O-N 3.02Å
296	R	89.4	Confident	92.3	Very high	145 Å²	145	34.4 Å²	34.4	55%	0.547	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.7	38.2	-173.1	-49.1	-176.9	-178.2	-175.4	-1.1	111.6	L292 K293 S294 Y502 P527	L292-R296 PolarHBondContact O-N 3.34Å; K293-R296 PolarHBondContact O-N 2.92Å; S294-R296 VanDerWaalsContact C-N 3.29Å; S294-R296 PolarHBondContact O-N 2.93Å; R296-Y502 WeakPolarHBondContact O-CB 3.3Å; R296-Y502 PolarHBondContact O-N 3.01Å; R296-Y502 VanDerWaalsContact O-N 3.08Å; R296-P527 HydrophobicContact CB-CG 3.83Å; R296-P527 HydrophobicContact CG-CG 4.31Å
297	I	90.4	Very high	92.3	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.005	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-81.4	139.1	172.3	-60.7	164.7	0	0	0	107.6	F180 L184 L292 F295 Y300 I498	F180-I297 HydrophobicContact CE1-CD1 3.84Å; F180-I297 HydrophobicContact CE1-CG1 3.78Å; F180-I297 HydrophobicContact CZ-CD1 3.74Å; F180-I297 HydrophobicContact CZ-CG1 3.49Å; F180-I297 VanDerWaalsContact CZ-CG1 3.49Å; L184-I297 HydrophobicContact CD1-CD1 4.4Å; L184-I297 HydrophobicContact CD2-CD1 4.37Å; L292-I297 HydrophobicContact CB-CB 4.37Å; L292-I297 HydrophobicContact CD2-CB 4.17Å; L292-I297 HydrophobicContact CD2-CD1 3.79Å; L292-I297 HydrophobicContact CD2-CG2 4.04Å; L292-I297 WeakPolarHBondContact O-CB 3.33Å; L292-I297 PolarHBondContact O-N 3.05Å; F295-I297 HydrophobicContact CB-CD1 3.58Å; F295-I297 HydrophobicContact CB-CG1 3.65Å; F295-I297 HydrophobicContact CG-CD1 4.33Å; F295-I297 PolarHBondContact O-N 3.02Å; I297-Y300 HydrophobicContact CG2-CD1 4.01Å; I297-I498 WeakPolarHBondContact CD1-O 3.43Å; I297-I498 HydrophobicContact CG2-CB 4.29Å; I297-I498 VanDerWaalsContact CG2-O 3.3Å; I297-I498 WeakPolarHBondContact CG2-O 3.29Å
298	M	87.5	Confident	92.4	Very high	8 Å²	8	26.7 Å²	26.7	4%	0.039	13%	0.133	C	C	.	.			trans	-140.7	177.9	177.8	-53	-174.7	-37.3	0	0	108.9	Y300 Y502 P527 Y530	M298-Y300 PolarHBondContact O-N 3.47Å; M298-Y502 HydrophobicContact CE-CD2 3.23Å; M298-Y502 HydrophobicContact CE-CE2 4Å; M298-Y502 HydrophobicContact CE-CG 3.94Å; M298-Y502 HydrophobicContact SD-CD2 3.85Å; M298-Y502 HydrophobicContact SD-CG 4.11Å; M298-P527 HydrophobicContact CG-CB 4.23Å; M298-P527 HydrophobicContact CG-CG 4.04Å; M298-P527 HydrophobicContact SD-CB 4.48Å; M298-P527 HydrophobicContact SD-CG 3.85Å; M298-Y530 HydrophobicContact CB-CD2 4.29Å; M298-Y530 HydrophobicContact CB-CG 4.42Å
299	D	87.6	Confident	92.2	Very high	73 Å²	73	26.8 Å²	26.8	39%	0.39	13%	0.133	S	C	.	.	S	Bend	trans	60.4	15.2	175.4	-59.4	-39.4	0	0	0	114.9	K238 Y530	K238-D299 VanDerWaalsContact CE-O 3.24Å; K238-D299 WeakPolarHBondContact CE-O 3.31Å; K238-D299 PolarHBondContact NZ-O 2.96Å; D299-Y530 VanDerWaalsContact CA-OH 3.24Å; D299-Y530 WeakPolarHBondContact CA-OH 3.32Å; D299-Y530 VanDerWaalsContact N-CE2 3.32Å; D299-Y530 VanDerWaalsContact N-CZ 3.28Å
300	Y	94.2	Very high	92.1	Very high	1 Å²	1	28.4 Å²	28.4	0%	0.004	14%	0.142	C	C	.	.			trans	-73.7	147.5	169.4	55.7	-94.5	0	0	0	111.2	L292 I297 M298 V495 I496 Y530 A531 F534	L292-Y300 HydrophobicContact CB-CD1 4.39Å; L292-Y300 HydrophobicContact CB-CE1 3.83Å; L292-Y300 HydrophobicContact CD1-CD1 3.97Å; L292-Y300 HydrophobicContact CD1-CD2 3.78Å; L292-Y300 HydrophobicContact CD1-CE1 3.82Å; L292-Y300 HydrophobicContact CD1-CE2 3.63Å; L292-Y300 HydrophobicContact CD1-CG 3.93Å; L292-Y300 HydrophobicContact CG-CE1 4.35Å; I297-Y300 HydrophobicContact CG2-CD1 4.01Å; M298-Y300 PolarHBondContact O-N 3.47Å; Y300-V495 HydrophobicContact CD2-CG1 3.95Å; Y300-V495 HydrophobicContact CG-CG1 4.3Å; Y300-I496 WeakPolarHBondContact CA-O 3.32Å; Y300-I496 WeakPolarHBondContact CB-O 3.29Å; Y300-Y530 HydrophobicContact CD1-CD1 4.21Å; Y300-Y530 AromaticContact CD1-CE1 3.8Å; Y300-Y530 HydrophobicContact CD1-CE1 3.8Å; Y300-Y530 AromaticContact CD2-CE1 3.95Å; Y300-Y530 HydrophobicContact CD2-CE1 3.95Å; Y300-Y530 AromaticContact CE1-CD1 3.55Å; Y300-Y530 HydrophobicContact CE1-CD1 3.55Å; Y300-Y530 AromaticContact CE1-CE1 3.57Å; Y300-Y530 HydrophobicContact CE1-CE1 3.57Å; Y300-Y530 HydrophobicContact CE2-CD1 4.15Å; Y300-Y530 AromaticContact CE2-CE1 3.72Å; Y300-Y530 HydrophobicContact CE2-CE1 3.72Å; Y300-Y530 HydrophobicContact CG-CE1 4.01Å; Y300-Y530 AromaticContact CZ-CD1 3.53Å; Y300-Y530 AromaticContact CZ-CE1 3.54Å; Y300-Y530 PolarHBondContact N-OH 2.92Å; Y300-Y530 PolarHBondContact O-OH 3.03Å; Y300-A531 WeakPolarHBondContact OH-CA 3.36Å; Y300-F534 HydrophobicContact CD2-CD2 4.16Å; Y300-F534 AromaticContact CD2-CE2 3.95Å; Y300-F534 HydrophobicContact CD2-CE2 3.95Å; Y300-F534 HydrophobicContact CD2-CZ 4.12Å; Y300-F534 HydrophobicContact CE2-CB 4.38Å; Y300-F534 AromaticContact CE2-CD1 3.89Å; Y300-F534 HydrophobicContact CE2-CD1 3.89Å; Y300-F534 AromaticContact CE2-CD2 3.87Å; Y300-F534 HydrophobicContact CE2-CD2 3.87Å; Y300-F534 HydrophobicContact CE2-CE1 4.03Å; Y300-F534 HydrophobicContact CE2-CE2 4.01Å; Y300-F534 AromaticContact CE2-CG 3.79Å; Y300-F534 HydrophobicContact CE2-CG 3.79Å; Y300-F534 HydrophobicContact CE2-CZ 4.07Å
301	S	95	Very high	92.2	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	154.5	178	-45.7	0	0	0	0	111.1	D236 L237 K238 V495 I496	D236-S301 WeakPolarHBondContact OD1-CB 3.46Å; D236-S301 PolarHBondContact OD1-OG 3.49Å; D236-S301 VanDerWaalsContact OD2-CB 3.31Å; D236-S301 WeakPolarHBondContact OD2-CB 3.42Å; D236-S301 PolarHBondContact OD2-OG 2.89Å; L237-S301 CarbonylContact O-C 3.54Å; L237-S301 WeakPolarHBondContact O-CA 3.42Å; K238-S301 WeakPolarHBondContact CE-OG 3.3Å; S301-V495 CarbonylContact O-C 3.53Å; S301-V495 VanDerWaalsContact O-CA 3.29Å; S301-V495 WeakPolarHBondContact O-CA 3.29Å; S301-I496 PolarHBondContact N-O 2.81Å; S301-I496 PolarHBondContact O-N 3.02Å
302	L	97.1	Very high	92.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	115.3	155	-170.6	72	0	0	0	107.4	L199 L237 I493 V495 F534 I538 F543	L199-L302 HydrophobicContact CD1-CD1 4.3Å; L237-L302 HydrophobicContact CB-CB 4.4Å; L237-L302 PolarHBondContact N-O 3.36Å; L237-L302 PolarHBondContact O-N 3.45Å; L302-I493 HydrophobicContact CD1-CB 4.38Å; L302-V495 HydrophobicContact CD1-CG2 4.28Å; L302-F534 HydrophobicContact CB-CE2 4.16Å; L302-F534 HydrophobicContact CB-CZ 3.79Å; L302-I538 HydrophobicContact CB-CD1 4.07Å; L302-I538 HydrophobicContact CD2-CD1 3.63Å; L302-I538 HydrophobicContact CD2-CG1 4.18Å; L302-I538 HydrophobicContact CD2-CG2 4.08Å; L302-F543 HydrophobicContact CD2-CE2 4Å; L302-F543 HydrophobicContact CD2-CZ 4.41Å
303	L	95.8	Very high	92.1	Very high	25 Å²	25	31.1 Å²	31.1	13%	0.131	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	124.4	166.4	-176.4	64.1	0	0	0	107.9	L224 L225 Y235 I493 G494 I496	L224-L303 HydrophobicContact CB-CD2 4.26Å; L224-L303 HydrophobicContact CD1-CB 4.4Å; L224-L303 HydrophobicContact CD1-CD2 4.11Å; L225-L303 HydrophobicContact CD1-CD1 4.39Å; L225-L303 HydrophobicContact CD1-CD2 3.95Å; L225-L303 HydrophobicContact CD1-CG 4.27Å; L225-L303 HydrophobicContact CG-CD2 4.02Å; Y235-L303 WeakPolarHBondContact O-CA 3.39Å; L303-I493 CarbonylContact O-C 3.46Å; L303-I493 VanDerWaalsContact O-CA 3.26Å; L303-I493 WeakPolarHBondContact O-CA 3.45Å; L303-G494 PolarHBondContact N-O 3.49Å; L303-G494 PolarHBondContact O-N 3.4Å; L303-I496 HydrophobicContact CB-CD1 4.04Å; L303-I496 HydrophobicContact CB-CG1 4.24Å; L303-I496 HydrophobicContact CB-CG2 3.99Å; L303-I496 HydrophobicContact CD2-CG2 4.34Å
304	L	96.2	Very high	92.2	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117	178.1	167.5	63.9	0	0	0	109	K234 Y235 L237 F263 I271 I306 L491 I493 V542 F543	K234-L304 CarbonylContact C-O 3.52Å; K234-L304 VanDerWaalsContact CA-O 3.31Å; K234-L304 WeakPolarHBondContact CA-O 3.41Å; Y235-L304 HydrophobicContact CD2-CD2 4.29Å; Y235-L304 PolarHBondContact N-O 2.97Å; Y235-L304 PolarHBondContact O-N 2.67Å; L237-L304 HydrophobicContact CD1-CB 4.44Å; L237-L304 HydrophobicContact CD1-CD2 4.17Å; F263-L304 HydrophobicContact CD2-CD2 4.45Å; F263-L304 HydrophobicContact CE2-CD2 3.88Å; I271-L304 HydrophobicContact CD1-CD2 3.92Å; L304-I306 HydrophobicContact CD1-CG1 4.08Å; L304-I306 HydrophobicContact CD2-CD1 4.21Å; L304-I306 HydrophobicContact CD2-CG1 4.31Å; L304-I306 HydrophobicContact CG-CD1 4.41Å; L304-I306 HydrophobicContact CG-CG1 3.98Å; L304-L491 HydrophobicContact CD1-CB 4.14Å; L304-L491 HydrophobicContact CD1-CD2 4.26Å; L304-I493 HydrophobicContact CB-CG2 4.36Å; L304-I493 HydrophobicContact CD1-CG2 3.42Å; L304-I493 VanDerWaalsContact CD1-CG2 3.42Å; L304-I493 HydrophobicContact CG-CG2 4.49Å; L304-V542 HydrophobicContact CD2-CG1 4.17Å; L304-F543 HydrophobicContact CD1-CZ 4.37Å
305	G	95.4	Very high	92.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	132.5	166.7	0	0	0	0	0	110.4	E233 L491 Y492	E233-G305 WeakPolarHBondContact O-CA 3.47Å; G305-L491 WeakPolarHBondContact O-CA 3.13Å; G305-Y492 PolarHBondContact N-O 3.44Å; G305-Y492 PolarHBondContact O-N 3.31Å
306	I	94.8	Very high	92.3	Very high	0 Å²	0	36 Å²	36	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.8	180	-52.7	179.7	0	0	0	109	H232 E233 Y235 I271 L304 L489 L491	H232-I306 PolarHBondContact N-O 2.73Å; E233-I306 HydrophobicContact CB-CB 4.16Å; E233-I306 HydrophobicContact CB-CD1 4.32Å; E233-I306 HydrophobicContact CB-CG1 4.46Å; E233-I306 PolarHBondContact N-O 3.46Å; E233-I306 PolarHBondContact O-N 2.81Å; Y235-I306 HydrophobicContact CD2-CD1 4.21Å; Y235-I306 HydrophobicContact CE2-CD1 3.87Å; I271-I306 HydrophobicContact CD1-CD1 3.54Å; I271-I306 HydrophobicContact CD1-CG1 4.41Å; L304-I306 HydrophobicContact CD1-CG1 4.08Å; L304-I306 HydrophobicContact CD2-CD1 4.21Å; L304-I306 HydrophobicContact CD2-CG1 4.31Å; L304-I306 HydrophobicContact CG-CD1 4.41Å; L304-I306 HydrophobicContact CG-CG1 3.98Å; I306-L489 HydrophobicContact CG2-CB 4.34Å; I306-L489 HydrophobicContact CG2-CD1 4.02Å; I306-L489 HydrophobicContact CG2-CD2 3.94Å; I306-L489 HydrophobicContact CG2-CG 4.33Å; I306-L491 HydrophobicContact CB-CD2 4.49Å; I306-L491 HydrophobicContact CG1-CD2 4.06Å; I306-L491 HydrophobicContact CG2-CD2 4.17Å
307	H	92.8	Very high	92.4	Very high	13 Å²	13	33.3 Å²	33.3	6%	0.06	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	108	164.7	177.1	72.2	0	0	0	109.2	V229 R230 H232 L309 L489 L490	V229-H307 HydrophobicContact CG1-CB 3.67Å; V229-H307 VanDerWaalsContact CG1-ND1 3.31Å; V229-H307 WeakPolarHBondContact CG1-ND1 3.01Å; R230-H307 PolarHBondContact O-ND1 2.92Å; H232-H307 AromaticContact CE1-CE1 3.66Å; H232-H307 AromaticContact CE1-ND1 3.33Å; H232-H307 PolarHBondContact CE1-ND1 3.3Å; H232-H307 VanDerWaalsContact CE1-ND1 3.33Å; H232-H307 AromaticContact ND1-ND1 3.56Å; H307-L309 WeakPolarHBondContact NE2-CD2 3.34Å; H307-L309 PolarHBondContact O-N 2.86Å; H307-L489 WeakPolarHBondContact O-CA 3.34Å; H307-L490 HydrophobicContact CB-CB 4.25Å; H307-L490 PolarHBondContact N-O 3.39Å; H307-L490 PolarHBondContact O-N 2.71Å
308	N	94	Very high	92.5	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.037	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.5	171.3	-177.5	-30.5	0	0	0	109.4	H232 D310 Q311 A312 D487 L489	H232-N308 PolarHBondContact CE1-O 2.95Å; H232-N308 PolarHBondContact ND1-N 2.96Å; N308-D310 PolarHBondContact OD1-N 3.36Å; N308-Q311 HydrophobicContact CB-CB 3.79Å; N308-Q311 PolarHBondContact OD1-N 3.06Å; N308-A312 WeakPolarHBondContact O-CB 3.49Å; N308-A312 PolarHBondContact O-N 3.4Å; N308-D487 PolarHBondContact ND2-OD2 3.46Å; N308-D487 PolarHBondContact OD1-OD2 3.28Å; N308-L489 HydrophobicContact CB-CD2 3.75Å
309	L	90.4	Very high	92.6	Very high	3 Å²	3	43.7 Å²	43.7	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-69.2	-40.1	-176.8	-68.4	161.6	0	0	0	111.5	H307 A312 K313 V464 L466 I474 R488	H307-L309 WeakPolarHBondContact NE2-CD2 3.34Å; H307-L309 PolarHBondContact O-N 2.86Å; L309-A312 PolarHBondContact O-N 3.25Å; L309-K313 WeakPolarHBondContact O-CB 3.34Å; L309-K313 PolarHBondContact O-N 3.44Å; L309-V464 HydrophobicContact CD1-CG1 3.52Å; L309-L466 HydrophobicContact CD1-CD2 3.92Å; L309-L466 HydrophobicContact CD2-CD2 3.94Å; L309-I474 HydrophobicContact CD2-CD1 3.28Å; L309-I474 HydrophobicContact CD2-CG1 4.3Å; L309-R488 HydrophobicContact CB-CB 4.13Å; L309-R488 WeakPolarHBondContact CB-O 3.34Å; L309-R488 HydrophobicContact CD1-CB 3.92Å; L309-R488 PolarHBondContact N-O 3.28Å
310	D	91.1	Very high	92.6	Very high	35 Å²	35	44.4 Å²	44.4	19%	0.187	21%	0.206	C	C	.	.	H	α-helix	trans	-74.3	-32.4	-178	-63.6	-40.4	0	0	0	111.4	N308 R314 D487 R488	N308-D310 PolarHBondContact OD1-N 3.36Å; D310-R314 VanDerWaalsContact O-CG 3.31Å; D310-R314 WeakPolarHBondContact O-CG 3.4Å; D310-R314 PolarHBondContact O-N 3.47Å; D310-R314 PolarHBondContact O-NE 2.86Å; D310-D487 HydrophobicContact CB-CB 4.34Å; D310-D487 WeakPolarHBondContact OD2-CA 3.26Å; D310-R488 IonicContact OD1-CZ 3.86Å; D310-R488 VanDerWaalsContact OD1-CZ 3.29Å; D310-R488 IonicContact OD1-NE 3.7Å; D310-R488 PolarHBondContact OD1-NE 2.63Å; D310-R488 IonicContact OD1-NH2 3.7Å; D310-R488 PolarHBondContact OD1-NH2 3.17Å; D310-R488 WeakPolarHBondContact OD2-CB 3.42Å; D310-R488 WeakPolarHBondContact OD2-CG 3.41Å; D310-R488 PolarHBondContact OD2-N 3.32Å; D310-R488 IonicContact OD2-NE 3.56Å; D310-R488 PolarHBondContact OD2-NE 2.58Å
311	Q	93.4	Very high	92.3	Very high	60 Å²	60	50 Å²	50	28%	0.28	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-48.9	166.4	-178.9	174.8	-8.8	0	0	111.4	H232 N308 K313 R314 E315	H232-Q311 PolarHBondContact CD2-NE2 2.89Å; N308-Q311 HydrophobicContact CB-CB 3.79Å; N308-Q311 PolarHBondContact OD1-N 3.06Å; Q311-K313 VanDerWaalsContact C-N 3.26Å; Q311-K313 PolarHBondContact O-N 2.99Å; Q311-R314 WeakPolarHBondContact O-CB 3.3Å; Q311-R314 PolarHBondContact O-N 2.94Å; Q311-R314 VanDerWaalsContact O-N 3.13Å; Q311-E315 HydrophobicContact CG-CG 4.32Å; Q311-E315 PolarHBondContact NE2-OE1 3Å; Q311-E315 WeakPolarHBondContact O-CG 3.42Å; Q311-E315 PolarHBondContact O-N 2.94Å
312	A	91.1	Very high	92	Very high	27 Å²	27	52.7 Å²	52.7	22%	0.223	26%	0.255	C	S	.	.	H	α-helix	trans	-57.4	-41.1	178.3	0	0	0	0	0	112	N308 L309 E315 R316	N308-A312 WeakPolarHBondContact O-CB 3.49Å; N308-A312 PolarHBondContact O-N 3.4Å; L309-A312 PolarHBondContact O-N 3.25Å; A312-E315 PolarHBondContact O-N 3.12Å; A312-R316 WeakPolarHBondContact O-CB 3.3Å; A312-R316 PolarHBondContact O-N 3.5Å
313	K	90.3	Very high	91.3	Very high	69 Å²	69	55.7 Å²	55.7	30%	0.3	28%	0.275	S	S	.	.	H	α-helix	trans	-63	-46.7	175.3	-176	170.2	179	166	0	111.9	L309 Q311 R316 L317 E467	L309-K313 WeakPolarHBondContact O-CB 3.34Å; L309-K313 PolarHBondContact O-N 3.44Å; Q311-K313 VanDerWaalsContact C-N 3.26Å; Q311-K313 PolarHBondContact O-N 2.99Å; K313-R316 PolarHBondContact O-N 3.04Å; K313-L317 HydrophobicContact CG-CD1 4.23Å; K313-L317 WeakPolarHBondContact O-CG 3.36Å; K313-L317 PolarHBondContact O-N 3.18Å; K313-E467 IonicContact NZ-OE1 3.89Å; K313-E467 PolarHBondContact NZ-OE1 2.86Å; K313-E467 IonicContact NZ-OE2 3.12Å; K313-E467 PolarHBondContact NZ-OE2 3.49Å
314	R	92.7	Very high	90.4	Very high	146 Å²	146	60.3 Å²	60.3	55%	0.551	30%	0.296	S	S	*	.	H	α-helix	trans	-58.9	-46.3	174.7	-76.4	-179.5	-75.4	162.3	-10.1	111.8	D310 Q311 R316 L317 A318 D487	D310-R314 VanDerWaalsContact O-CG 3.31Å; D310-R314 WeakPolarHBondContact O-CG 3.4Å; D310-R314 PolarHBondContact O-N 3.47Å; D310-R314 PolarHBondContact O-NE 2.86Å; Q311-R314 WeakPolarHBondContact O-CB 3.3Å; Q311-R314 PolarHBondContact O-N 2.94Å; Q311-R314 VanDerWaalsContact O-N 3.13Å; R314-R316 VanDerWaalsContact C-N 3.33Å; R314-R316 PolarHBondContact O-N 2.98Å; R314-L317 PolarHBondContact O-N 3.43Å; R314-A318 WeakPolarHBondContact O-CB 3.43Å; R314-A318 PolarHBondContact O-N 3.01Å; R314-D487 IonicContact NH2-OD2 2.91Å; R314-D487 PolarHBondContact NH2-OD2 3.46Å
315	E	91.9	Very high	89.3	Confident	49 Å²	49	67.5 Å²	67.5	23%	0.229	33%	0.328	C	S	.	.	H	α-helix	trans	-60.6	-41.1	177.2	-71.9	-177.7	-170.6	0	0	111.7	R230 H232 Q311 A312 A318 R319	R230-E315 IonicContact NE-OE2 2.97Å; R230-E315 PolarHBondContact NE-OE2 3.22Å; H232-E315 IonicContact CD2-OE1 3.78Å; Q311-E315 HydrophobicContact CG-CG 4.32Å; Q311-E315 PolarHBondContact NE2-OE1 3Å; Q311-E315 WeakPolarHBondContact O-CG 3.42Å; Q311-E315 PolarHBondContact O-N 2.94Å; A312-E315 PolarHBondContact O-N 3.12Å; E315-A318 PolarHBondContact O-N 3.38Å; E315-R319 WeakPolarHBondContact O-CG 3.19Å; E315-R319 PolarHBondContact O-N 3.46Å
316	R	88.2	Confident	87.7	Confident	95 Å²	95	74.3 Å²	74.3	36%	0.358	36%	0.359	S	S	.	.	H	α-helix	trans	-66.8	-43.5	177.9	-174.5	173.3	177.9	-146.5	-10.9	112.5	A312 K313 R314 R319 K320 E469	A312-R316 WeakPolarHBondContact O-CB 3.3Å; A312-R316 PolarHBondContact O-N 3.5Å; K313-R316 PolarHBondContact O-N 3.04Å; R314-R316 VanDerWaalsContact C-N 3.33Å; R314-R316 PolarHBondContact O-N 2.98Å; R316-R319 PolarHBondContact O-N 3.15Å; R316-K320 WeakPolarHBondContact O-CG 3.48Å; R316-K320 PolarHBondContact O-N 3.48Å; R316-K320 VanDerWaalsContact O-N 3.12Å; R316-E469 IonicContact CZ-OE2 3.88Å; R316-E469 IonicContact NH1-OE2 3.78Å; R316-E469 PolarHBondContact NH1-OE2 2.92Å; R316-E469 IonicContact NH2-OE2 2.81Å; R316-E469 PolarHBondContact NH2-OE2 3.46Å
317	L	90.8	Very high	86.1	Confident	87 Å²	87	78.2 Å²	78.2	46%	0.455	38%	0.383	S	S	.	.	H	α-helix	trans	-63.6	-42.4	176.3	-69.9	171.2	0	0	0	111.3	K313 R314 R319 K320 Q321	K313-L317 HydrophobicContact CG-CD1 4.23Å; K313-L317 WeakPolarHBondContact O-CG 3.36Å; K313-L317 PolarHBondContact O-N 3.18Å; R314-L317 PolarHBondContact O-N 3.43Å; L317-R319 PolarHBondContact O-N 3.41Å; L317-K320 PolarHBondContact O-N 2.85Å; L317-Q321 WeakPolarHBondContact O-CG 3.07Å; L317-Q321 PolarHBondContact O-N 3.49Å; L317-Q321 VanDerWaalsContact O-N 3.08Å
318	A	92.1	Very high	84.4	Confident	56 Å²	56	81.5 Å²	81.5	46%	0.463	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-40.5	176.4	0	0	0	0	0	112.4	R314 E315 Q321 A322	R314-A318 WeakPolarHBondContact O-CB 3.43Å; R314-A318 PolarHBondContact O-N 3.01Å; E315-A318 PolarHBondContact O-N 3.38Å; A318-Q321 PolarHBondContact O-N 2.96Å; A318-A322 WeakPolarHBondContact O-CB 3.29Å; A318-A322 PolarHBondContact O-N 3.43Å
319	R	89.9	Confident	82.6	Confident	172 Å²	172	86.3 Å²	86.3	65%	0.649	43%	0.434	S	S	*	.	H	α-helix	trans	-64	-42.4	175.6	-73.2	176.5	-169.6	-167.5	5.5	112.6	E315 R316 L317 A322 S323	E315-R319 WeakPolarHBondContact O-CG 3.19Å; E315-R319 PolarHBondContact O-N 3.46Å; R316-R319 PolarHBondContact O-N 3.15Å; L317-R319 PolarHBondContact O-N 3.41Å; R319-A322 PolarHBondContact O-N 2.6Å; R319-S323 PolarHBondContact O-N 2.69Å; R319-S323 PolarHBondContact O-OG 3.09Å
320	K	88.2	Confident	80.9	Confident	87 Å²	87	92.7 Å²	92.7	38%	0.378	47%	0.468	S	S	.	.	H	α-helix	trans	-59.9	-46.9	175.9	-72.6	-178.1	178.6	-176.5	0	111.3	R316 L317 A322 S323 E324	R316-K320 WeakPolarHBondContact O-CG 3.48Å; R316-K320 PolarHBondContact O-N 3.48Å; R316-K320 VanDerWaalsContact O-N 3.12Å; L317-K320 PolarHBondContact O-N 2.85Å; K320-A322 VanDerWaalsContact C-N 3.33Å; K320-A322 PolarHBondContact O-N 3.21Å; K320-S323 WeakPolarHBondContact CA-OG 3.05Å; K320-S323 PolarHBondContact O-N 2.89Å; K320-S323 PolarHBondContact O-OG 3.13Å; K320-E324 WeakPolarHBondContact O-CG 3.4Å; K320-E324 PolarHBondContact O-N 2.56Å
321	Q	87.3	Confident	79	Confident	119 Å²	119	98.7 Å²	98.7	56%	0.556	50%	0.495	S	S	*	.	H	α-helix	trans	-64.1	-35.7	177.2	-69.3	178	0.3	0	0	112.9	L317 A318 K325	L317-Q321 WeakPolarHBondContact O-CG 3.07Å; L317-Q321 PolarHBondContact O-N 3.49Å; L317-Q321 VanDerWaalsContact O-N 3.08Å; A318-Q321 PolarHBondContact O-N 2.96Å; Q321-K325 WeakPolarHBondContact O-CG 3.47Å; Q321-K325 PolarHBondContact O-N 2.78Å
322	A	87.8	Confident	77	Confident	57 Å²	57	106.7 Å²	106.7	47%	0.471	52%	0.522	S	S	.	.	H	α-helix	trans	-67.6	-40.5	175.6	0	0	0	0	0	112.2	A318 R319 K320 Q326	A318-A322 WeakPolarHBondContact O-CB 3.29Å; A318-A322 PolarHBondContact O-N 3.43Å; R319-A322 PolarHBondContact O-N 2.6Å; K320-A322 VanDerWaalsContact C-N 3.33Å; K320-A322 PolarHBondContact O-N 3.21Å; A322-Q326 PolarHBondContact O-N 2.86Å
323	S	82.4	Confident	75	Confident	62 Å²	62	108.4 Å²	108.4	43%	0.434	54%	0.543	S	S	.	.	H	α-helix	trans	-65.9	-39.6	175.4	50.4	0	0	0	0	112.7	R319 K320 K325 Q326 T327	R319-S323 PolarHBondContact O-N 2.69Å; R319-S323 PolarHBondContact O-OG 3.09Å; K320-S323 WeakPolarHBondContact CA-OG 3.05Å; K320-S323 PolarHBondContact O-N 2.89Å; K320-S323 PolarHBondContact O-OG 3.13Å; S323-K325 PolarHBondContact O-N 2.94Å; S323-Q326 PolarHBondContact O-N 3.38Å; S323-T327 PolarHBondContact O-N 3.04Å; S323-T327 VanDerWaalsContact O-N 3.16Å; S323-T327 PolarHBondContact O-OG1 3.23Å
324	E	78.5	Confident	73	Confident	123 Å²	123	112.8 Å²	112.8	58%	0.575	57%	0.569	S	S	*	*	H	α-helix	trans	-66.6	-35.7	179.5	-73	167.7	-173.2	0	0	112.8	K320 Q326 T327 T328	K320-E324 WeakPolarHBondContact O-CG 3.4Å; K320-E324 PolarHBondContact O-N 2.56Å; E324-Q326 VanDerWaalsContact C-N 3.33Å; E324-T327 PolarHBondContact O-N 2.96Å; E324-T328 PolarHBondContact O-N 2.89Å; E324-T328 PolarHBondContact O-OG1 3.07Å
325	K	72.5	Confident	70.6	Confident	151 Å²	151	115 Å²	115	66%	0.657	59%	0.586	S	S	*	*	H	α-helix	trans	-66.7	-32.7	174	-74.4	-178.9	-178	-177.6	0	112.6	Q321 S323 T328 V329	Q321-K325 WeakPolarHBondContact O-CG 3.47Å; Q321-K325 PolarHBondContact O-N 2.78Å; S323-K325 PolarHBondContact O-N 2.94Å; K325-T328 WeakPolarHBondContact CA-OG1 3.34Å; K325-T328 PolarHBondContact O-OG1 2.87Å; K325-V329 WeakPolarHBondContact O-CG2 3.28Å; K325-V329 PolarHBondContact O-N 3.01Å
326	Q	62	Low	68.4	Low	143 Å²	143	118.5 Å²	118.5	67%	0.668	62%	0.616	S	S	*	*	H	α-helix	trans	-72	-37.7	175	-85.9	176.8	-9.2	0	0	112.1	A322 S323 E324 T328 V329 N330	A322-Q326 PolarHBondContact O-N 2.86Å; S323-Q326 PolarHBondContact O-N 3.38Å; E324-Q326 VanDerWaalsContact C-N 3.33Å; Q326-T328 VanDerWaalsContact C-N 3.35Å; Q326-T328 PolarHBondContact O-N 3.33Å; Q326-V329 PolarHBondContact O-N 2.84Å; Q326-N330 PolarHBondContact O-N 2.86Å
327	T	61	Low	66.4	Low	81 Å²	81	119 Å²	119	50%	0.497	63%	0.634	S	S	.	*	H	α-helix	trans	-68.3	-33.6	178.3	-36.9	0	0	0	0	112.5	S323 E324 Q331	S323-T327 PolarHBondContact O-N 3.04Å; S323-T327 VanDerWaalsContact O-N 3.16Å; S323-T327 PolarHBondContact O-OG1 3.23Å; E324-T327 PolarHBondContact O-N 2.96Å; T327-Q331 PolarHBondContact O-N 3.49Å
328	T	57.1	Low	64.1	Low	82 Å²	82	121.4 Å²	121.4	50%	0.503	65%	0.647	S	S	.	*	H	α-helix	trans	-76.2	-24.2	178.3	30.9	0	0	0	0	114	E324 K325 Q326	E324-T328 PolarHBondContact O-N 2.89Å; E324-T328 PolarHBondContact O-OG1 3.07Å; K325-T328 WeakPolarHBondContact CA-OG1 3.34Å; K325-T328 PolarHBondContact O-OG1 2.87Å; Q326-T328 VanDerWaalsContact C-N 3.35Å; Q326-T328 PolarHBondContact O-N 3.33Å
329	V	56.8	Low	62	Low	108 Å²	108	126.3 Å²	126.3	66%	0.655	67%	0.665	S	S	*	*	H	α-helix	trans	-76.5	-36.2	173.6	174.6	0	0	0	0	111.2	K325 Q326 Q331 R332	K325-V329 WeakPolarHBondContact O-CG2 3.28Å; K325-V329 PolarHBondContact O-N 3.01Å; Q326-V329 PolarHBondContact O-N 2.84Å; V329-Q331 VanDerWaalsContact C-N 3.28Å; V329-Q331 PolarHBondContact O-N 2.97Å; V329-R332 PolarHBondContact O-N 3.47Å
330	N	52.8	Low	59.7	Low	138 Å²	138	123.3 Å²	123.3	74%	0.738	67%	0.67	S	S	*	*	H	α-helix	trans	-74.2	-13.8	178.9	-72.3	-5.6	0	0	0	114.2	Q326	Q326-N330 PolarHBondContact O-N 2.86Å
331	Q	52.5	Low	57.4	Low	161 Å²	161	124.7 Å²	124.7	75%	0.752	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-6.6	177	-72.6	-175.9	-2.4	0	0	114.3	T327 V329	T327-Q331 PolarHBondContact O-N 3.49Å; V329-Q331 VanDerWaalsContact C-N 3.28Å; V329-Q331 PolarHBondContact O-N 2.97Å
332	R	50.8	Low	55.4	Low	227 Å²	227	126.8 Å²	126.8	86%	0.857	70%	0.703	S	S	*	*	S	Bend	trans	-101.1	10.5	177.3	-75.8	-173.2	177.7	-165.9	-0.5	113.9	V329	V329-R332 PolarHBondContact O-N 3.47Å
333	G	48.9	Very low	53.3	Low	63 Å²	63	130 Å²	130	65%	0.649	72%	0.723	S	S	*	*	S	Bend	trans	-91.7	-8.6	-174.7	0	0	0	0	0	116.7
334	D	48.6	Very low	51.4	Low	161 Å²	161	134.4 Å²	134.4	86%	0.861	74%	0.74	S	S	*	*	S	Bend	trans	-118.4	9.5	-165.4	-90.8	-17.5	0	0	0	116.7
335	E	43.4	Very low	49.5	Very low	194 Å²	194	134.6 Å²	134.6	91%	0.907	75%	0.751	S	S	*	*			trans	-137.8	95.7	172.8	-71.7	-169.5	152.5	0	0	112.4
336	S	45.7	Very low	47.9	Very low	122 Å²	122	136.8 Å²	136.8	85%	0.853	76%	0.761	S	S	*	*			trans	-151.8	97.6	163.4	67.9	0	0	0	0	113
337	S	45.2	Very low	46.9	Very low	106 Å²	106	139.1 Å²	139.1	74%	0.741	77%	0.774	S	S	*	*			trans	-170.7	110.5	154.3	53.1	0	0	0	0	104.3
338	D	43	Very low	45.9	Very low	136 Å²	136	144.9 Å²	144.9	73%	0.727	79%	0.792	S	S	*	*				-175.8	143.6	62	-98.2	-29.7	0	0	0	110.1
339	L	46.7	Very low	45.1	Very low	160 Å²	160	145.3 Å²	145.3	84%	0.838	80%	0.798	S	S	*	*			trans	58	133.1	142.5	-51.9	168.1	0	0	0	118.8
340	S	42.8	Very low	44.3	Very low	109 Å²	109	147.9 Å²	147.9	76%	0.762	81%	0.808	S	S	*	*			cis	-170.5	157.4	5.9	60.9	0	0	0	0	107.7
341	P	40.7	Very low	43.5	Very low	116 Å²	116	144.6 Å²	144.6	75%	0.753	81%	0.807	S	S	*	*			trans	-111.4	136.8	-177.9	35.9	-24.5	0	0	0	113.7
342	N	43.9	Very low	42.8	Very low	162 Å²	162	145.6 Å²	145.6	87%	0.866	82%	0.817	S	S	*	*			trans	-172.2	117.8	149.6	-102.2	-20.7	0	0	0	111.4
343	S	43.6	Very low	42.1	Very low	126 Å²	126	141.5 Å²	141.5	88%	0.881	81%	0.81	S	S	*	*			trans	165.3	112.2	142.1	-73.2	0	0	0	0	110.9
344	I	42.5	Very low	41.6	Very low	154 Å²	154	144.3 Å²	144.3	79%	0.79	82%	0.82	S	S	*	*			trans	-109.3	142.8	168.8	-55.7	165.3	0	0	0	106.4
345	P	39.3	Very low	41.1	Very low	126 Å²	126	144 Å²	144	82%	0.818	81%	0.813	S	S	*	*				-151.3	135.4	102.7	29.2	-6.4	0	0	0	118.3
346	K	39.5	Very low	40.9	Very low	197 Å²	197	143.1 Å²	143.1	86%	0.857	81%	0.813	S	S	*	*			trans	1.5	137.5	149.8	-63.1	174.5	177.8	173.6	0	121.8
347	M	40.8	Very low	40.4	Very low	193 Å²	193	141.4 Å²	141.4	95%	0.951	80%	0.801	S	S	*	*			trans	-129.3	142.8	142.2	-80.4	-167.5	87.7	0	0	112.8
348	K	39.4	Very low	40	Very low	202 Å²	202	143.2 Å²	143.2	88%	0.878	80%	0.802	S	S	*	*			trans	-68.9	174.9	177.1	-63	168.3	175.3	176.7	0	111.9
349	S	39.6	Very low	39.8	Very low	90 Å²	90	145.3 Å²	145.3	63%	0.629	81%	0.805	S	S	*	*			cis	179.1	173.2	-21.4	58.1	0	0	0	0	105.5
350	N	40	Very low	39.3	Very low	162 Å²	162	142.4 Å²	142.4	87%	0.866	80%	0.798	S	S	*	*			trans	96.6	121.6	170	-47	-6	0	0	0	113.1
351	G	36.7	Very low	39.1	Very low	69 Å²	69	145 Å²	145	71%	0.711	80%	0.804	S	S	*	*			cis	143.9	122	6.2	0	0	0	0	0	108.4
352	L	38.1	Very low	38.8	Very low	182 Å²	182	147.9 Å²	147.9	95%	0.953	81%	0.807	S	S	*	*			trans	177.1	131.8	140.8	-100.8	148.8	0	0	0	111.5
353	I	35.4	Very low	38.6	Very low	141 Å²	141	148.2 Å²	148.2	72%	0.723	81%	0.808	S	S	*	*			trans	-105.8	141.4	-174.5	-68.5	164.2	0	0	0	107.8
354	S	38.9	Very low	38.4	Very low	122 Å²	122	148.9 Å²	148.9	85%	0.853	80%	0.802	S	S	*	*			trans	-156	122.5	137.5	55.3	0	0	0	0	111.7
355	H	36.9	Very low	38.3	Very low	155 Å²	155	147.7 Å²	147.7	72%	0.718	80%	0.802	S	S	*	*			trans	-70.7	155.4	172.3	-78.5	-105	0	0	0	111.8
356	I	40.5	Very low	38.2	Very low	175 Å²	175	147.5 Å²	147.5	90%	0.897	80%	0.795	S	S	*	*				-158.9	126.3	125.6	-92	147.6	0	0	0	108.4
357	S	33.9	Very low	38.3	Very low	87 Å²	87	146.1 Å²	146.1	61%	0.608	79%	0.791	S	S	*	*			trans	-97.5	151.4	175.9	-55	0	0	0	0	110.4
358	N	38.6	Very low	38.2	Very low	143 Å²	143	141.8 Å²	141.8	77%	0.765	78%	0.779	S	S	*	*				-179	125.6	126.8	-95.8	-24.7	0	0	0	114.6
359	K	38.6	Very low	38.1	Very low	181 Å²	181	137.1 Å²	137.1	79%	0.787	77%	0.772	S	S	*	*			trans	53.5	106.6	131.2	-79.3	-179.7	174.8	179.5	0	119.2
360	S	36.1	Very low	37.8	Very low	99 Å²	99	138.2 Å²	138.2	69%	0.692	78%	0.78	S	S	*	*				90.7	113.7	76	67.9	0	0	0	0	113.8
361	N	37.4	Very low	38	Very low	164 Å²	164	135.8 Å²	135.8	88%	0.877	77%	0.773	S	S	*	*				-166.8	134.1	126.2	-119.9	-1.3	0	0	0	112.4
362	E	35.1	Very low	37.8	Very low	175 Å²	175	137 Å²	137	82%	0.818	77%	0.771	S	S	*	*			trans	-79.9	152.7	178.2	-62.5	170.7	138.6	0	0	111.6
363	N	40.8	Very low	37.8	Very low	169 Å²	169	136.3 Å²	136.3	90%	0.904	77%	0.768	S	S	*	*				-167.8	134.4	128.3	-98.5	-26.2	0	0	0	113.5
364	N	38.7	Very low	37.8	Very low	141 Å²	141	133.2 Å²	133.2	75%	0.754	77%	0.771	S	S	*	*			trans	-60.7	151.8	-179.3	-84.2	-46.1	0	0	0	115.6
365	T	39.4	Very low	37.6	Very low	129 Å²	129	134.6 Å²	134.6	79%	0.791	77%	0.774	S	S	*	*				174.7	112.1	105.8	28.5	0	0	0	0	114.7
366	N	38.9	Very low	37.5	Very low	122 Å²	122	131 Å²	131	65%	0.652	78%	0.778	S	S	*	*				49.8	126	126.8	-73.1	-16.9	0	0	0	125.7
367	Q	39.6	Very low	37.2	Very low	168 Å²	168	128.9 Å²	128.9	79%	0.785	78%	0.779	S	S	*	*				70.8	143.5	129.2	-64.1	176.4	40.8	0	0	119.6
368	S	39.3	Very low	37.2	Very low	101 Å²	101	128.3 Å²	128.3	71%	0.706	79%	0.787	S	S	*	*			cis	-170.2	141.3	7.9	47	0	0	0	0	112.5
369	S	37.2	Very low	37	Very low	104 Å²	104	125.3 Å²	125.3	73%	0.727	79%	0.79	S	S	*	*			trans	23.8	122	143.4	58.5	0	0	0	0	125.3
370	S	34.5	Very low	36.7	Very low	113 Å²	113	124 Å²	124	79%	0.79	79%	0.791	S	S	*	*				23.5	171.6	110.8	-48.9	0	0	0	0	122.7
371	P	43.5	Very low	36.4	Very low	112 Å²	112	127 Å²	127	73%	0.727	80%	0.798	S	S	*	*			cis	-144	178.8	-40.3	38	-17.9	0	0	0	116.1
372	S	33.5	Very low	36.1	Very low	94 Å²	94	122 Å²	122	66%	0.657	79%	0.785	S	S	*	*			trans	44.2	136.4	144.1	65.7	0	0	0	0	125.5
373	N	37.9	Very low	35.9	Very low	167 Å²	167	120 Å²	120	89%	0.893	79%	0.785	S	S	*	*			trans	144	145.8	144.1	-73.5	-18.5	0	0	0	109.3
374	G	34.9	Very low	35.4	Very low	76 Å²	76	118.1 Å²	118.1	78%	0.784	78%	0.779	S	S	*	*			cis	179.9	169.6	9	0	0	0	0	0	108.5
375	V	34	Very low	35.1	Very low	152 Å²	152	119.4 Å²	119.4	92%	0.921	79%	0.786	S	S	*	*			trans	-85.7	153	-171.9	173.9	0	0	0	0	112.3
376	G	35	Very low	34.6	Very low	78 Å²	78	121.8 Å²	121.8	80%	0.804	79%	0.788	S	S	*	*			trans	-171.8	123.6	165.7	0	0	0	0	0	114.8
377	S	33.5	Very low	34.5	Very low	131 Å²	131	122 Å²	122	92%	0.916	80%	0.8	S	S	*	*			trans	-96.2	159.9	-177.6	-60.8	0	0	0	0	113.8
378	G	34.9	Very low	34.2	Very low	76 Å²	76	119.1 Å²	119.1	78%	0.784	80%	0.798	S	S	*	*			trans	155.5	113.9	163.8	0	0	0	0	0	110.1
379	G	33.4	Very low	34.1	Very low	79 Å²	79	121.2 Å²	121.2	81%	0.814	80%	0.801	S	S	*	*				79	140.6	81.9	0	0	0	0	0	110.3
380	L	33.7	Very low	34	Very low	154 Å²	154	124.3 Å²	124.3	81%	0.806	80%	0.802	S	S	*	*			cis	179.6	145	-1.4	-166.4	88.1	0	0	0	104.7
381	L	28.5	Very low	34.1	Very low	163 Å²	163	124.8 Å²	124.8	85%	0.853	80%	0.8	S	S	*	*			trans	63.9	141.8	151	-106.9	87.2	0	0	0	124.2
382	G	30.9	Very low	33.7	Very low	58 Å²	58	124.6 Å²	124.6	60%	0.598	80%	0.801	S	S	*	*			trans	127.5	86.5	147.4	0	0	0	0	0	116.2
383	T	31.8	Very low	33.9	Very low	132 Å²	132	125.9 Å²	125.9	81%	0.81	81%	0.807	S	S	*	*				77.8	112.6	95	50.8	0	0	0	0	117.8
384	V	30.2	Very low	33.9	Very low	131 Å²	131	123.2 Å²	123.2	79%	0.794	80%	0.802	S	S	*	*			trans	31.8	128.8	140.8	-84.8	0	0	0	0	121.5
385	N	32.4	Very low	33.9	Very low	168 Å²	168	125.1 Å²	125.1	90%	0.898	80%	0.803	S	S	*	*				-158.4	131.5	125.2	-111.7	-11.1	0	0	0	113.1
386	E	28.9	Very low	34.2	Very low	178 Å²	178	123.1 Å²	123.1	83%	0.832	79%	0.793	S	S	*	*			trans	-65.7	152.9	170.7	-73.3	172.8	118.6	0	0	112.2
387	S	35.8	Very low	34.6	Very low	128 Å²	128	127.3 Å²	127.3	90%	0.895	80%	0.797	S	S	*	*			trans	-157.4	117.1	144.8	-79.7	0	0	0	0	111.4
388	S	34.3	Very low	34.7	Very low	107 Å²	107	124.6 Å²	124.6	75%	0.748	79%	0.79	S	S	*	*			trans	-70.3	149.3	178	41.8	0	0	0	0	115.8
389	N	36.6	Very low	34.8	Very low	144 Å²	144	126.8 Å²	126.8	77%	0.77	79%	0.793	S	S	*	*			trans	172.5	147.4	143.2	-98.1	-18.4	0	0	0	108.6
390	K	36.6	Very low	34.9	Very low	170 Å²	170	132.2 Å²	132.2	74%	0.739	80%	0.797	S	S	*	*			cis	-177.5	146.7	-24.6	-127.2	-176.4	-173.4	175.2	0	103.7
391	T	35.3	Very low	35	Very low	123 Å²	123	133 Å²	133	76%	0.755	80%	0.801	S	S	*	*			trans	63.5	139.8	150.1	53.6	0	0	0	0	119.4
392	S	36.1	Very low	35.4	Very low	107 Å²	107	130.1 Å²	130.1	75%	0.748	79%	0.792	S	S	*	*			cis	-171.9	165.4	-1.8	-77.3	0	0	0	0	107.7
393	P	37.3	Very low	35.4	Very low	121 Å²	121	132.9 Å²	132.9	79%	0.786	80%	0.798	S	S	*	*			trans	-107.4	-175.6	-166.8	40.1	-31.5	0	0	0	114.9
394	S	36.7	Very low	35.6	Very low	111 Å²	111	138.7 Å²	138.7	78%	0.776	81%	0.805	S	S	*	*			trans	104.4	117	155.6	76.4	0	0	0	0	119.5
395	S	36.3	Very low	35.7	Very low	116 Å²	116	140.5 Å²	140.5	81%	0.811	80%	0.804	S	S	*	*				179.2	135.1	119.8	-80	0	0	0	0	112.2
396	P	40.6	Very low	36.1	Very low	110 Å²	110	137.4 Å²	137.4	71%	0.714	80%	0.802	S	S	*	*			trans	-106.5	-172.7	179.4	40.6	-32.2	0	0	0	113.8
397	N	42	Very low	36.3	Very low	166 Å²	166	136.6 Å²	136.6	89%	0.888	80%	0.798	S	S	*	*			trans	85	141.4	174.6	-55.1	-22.1	0	0	0	115.2
398	G	35.9	Very low	36.4	Very low	74 Å²	74	140.2 Å²	140.2	76%	0.763	80%	0.798	S	S	*	*			cis	-158.7	164.8	-2.5	0	0	0	0	0	104.8
399	S	38	Very low	36.3	Very low	122 Å²	122	140.1 Å²	140.1	85%	0.853	79%	0.793	S	S	*	*				-178.3	133.8	62.2	47.8	0	0	0	0	108.4
400	Q	34.7	Very low	36.4	Very low	193 Å²	193	138.7 Å²	138.7	90%	0.902	80%	0.795	S	S	*	*			trans	-79	149.8	163.4	-72.7	176.6	4.7	0	0	110.4
401	L	36.9	Very low	36.4	Very low	171 Å²	171	134.2 Å²	134.2	90%	0.895	80%	0.796	S	S	*	*			trans	-144.6	134.4	152.8	-102	160.5	0	0	0	108.4
402	P	35.7	Very low	36.7	Very low	102 Å²	102	134.2 Å²	134.2	66%	0.662	80%	0.796	S	S	*	*			trans	-108.3	160.3	-165	41.5	-33.9	0	0	0	114.9
403	T	32.2	Very low	36.7	Very low	116 Å²	116	136.1 Å²	136.1	71%	0.712	80%	0.798	S	S	*	*			trans	36.7	133.6	147.7	43.5	0	0	0	0	122.5
404	R	35.2	Very low	36.8	Very low	255 Å²	255	137.2 Å²	137.2	96%	0.962	80%	0.797	S	S	*	*			trans	-147	114.8	134.3	-112.2	-178.4	170.3	-175.6	-3.6	112
405	H	32.6	Very low	36.8	Very low	168 Å²	168	139.4 Å²	139.4	78%	0.778	80%	0.795	S	S	*	*			trans	-76.4	150	163	-86.3	-83.8	0	0	0	110.3
406	A	39.7	Very low	36.7	Very low	104 Å²	104	138.6 Å²	138.6	86%	0.86	79%	0.785	S	S	*	*			trans	-128.7	113.8	155.8	0	0	0	0	0	108.3
407	H	34	Very low	36.5	Very low	160 Å²	160	142.5 Å²	142.5	74%	0.741	79%	0.791	S	S	*	*			trans	-83.3	144.2	168.5	-111.3	-94.5	0	0	0	109
408	F	37.5	Very low	36.1	Very low	204 Å²	204	140.7 Å²	140.7	90%	0.895	79%	0.786	S	S	*	*			trans	-133.1	130	154	-142.3	-93.2	0	0	0	108
409	T	33.1	Very low	36.4	Very low	106 Å²	106	142.2 Å²	142.2	65%	0.65	78%	0.783	S	S	*	*			trans	-121.8	142.5	-173.3	50.7	0	0	0	0	110.1
410	S	38.5	Very low	36.2	Very low	114 Å²	114	140.8 Å²	140.8	80%	0.797	77%	0.773	S	S	*	*			trans	-179.2	109.5	144.8	53	0	0	0	0	106.6
411	G	36.1	Very low	36.3	Very low	75 Å²	75	138.4 Å²	138.4	77%	0.773	77%	0.766	S	S	*	*				89.1	136	89.9	0	0	0	0	0	109.1
412	V	41.1	Very low	36.6	Very low	123 Å²	123	139.4 Å²	139.4	75%	0.745	77%	0.766	S	S	*	*			cis	-169.4	140.5	26.2	164.2	0	0	0	0	106.8
413	D	37.5	Very low	36.5	Very low	148 Å²	148	140.9 Å²	140.9	79%	0.791	77%	0.768	S	S	*	*			trans	35.4	141.4	146.8	-40.4	-23.7	0	0	0	120.6
414	D	38.6	Very low	36.7	Very low	143 Å²	143	142 Å²	142	77%	0.765	78%	0.775	S	S	*	*				-170.3	161.1	55.7	-169.4	23.6	0	0	0	113.3
415	E	36.9	Very low	36.6	Very low	157 Å²	157	136.5 Å²	136.5	73%	0.734	77%	0.765	S	S	*	*			trans	-46.9	173.3	177.1	-70.8	-169.1	110.1	0	0	118.3
416	T	34.8	Very low	36.9	Very low	100 Å²	100	135.1 Å²	135.1	61%	0.613	76%	0.763	S	S	*	*			cis	-171.3	165.5	-7.4	28.5	0	0	0	0	109.3
417	K	35.6	Very low	36.9	Very low	191 Å²	191	136.4 Å²	136.4	83%	0.83	76%	0.756	S	S	*	*			trans	91.6	106.5	143.1	-86.6	167.5	-178.7	176.1	0	122.7
418	T	34.3	Very low	37	Very low	128 Å²	128	137.2 Å²	137.2	79%	0.785	76%	0.76	S	S	*	*			trans	-65.1	-177.4	145.5	50.5	0	0	0	0	111.9
419	P	40.5	Very low	36.6	Very low	106 Å²	106	134.4 Å²	134.4	69%	0.688	75%	0.754	S	S	*	*			cis	-156.3	-174.5	30.1	37.8	-11.1	0	0	0	120.2
420	S	35.1	Very low	36.7	Very low	93 Å²	93	137.1 Å²	137.1	65%	0.65	77%	0.765	S	S	*	*			trans	59.2	151.7	144.9	50.1	0	0	0	0	120.3
421	D	36.9	Very low	36.3	Very low	142 Å²	142	140.7 Å²	140.7	76%	0.759	77%	0.766	S	S	*	*			cis	-168.5	152	3.4	-94.2	-25.2	0	0	0	107.2
422	H	41.9	Very low	36	Very low	193 Å²	193	142.6 Å²	142.6	89%	0.894	77%	0.767	S	S	*	*				175.8	128.7	121.5	-103.3	-58.1	0	0	0	114.8
423	N	33.8	Very low	35.6	Very low	132 Å²	132	143.7 Å²	143.7	71%	0.706	77%	0.774	S	S	*	*			trans	-58.2	153.2	168.2	-98	-23.8	0	0	0	115.1
424	T	37.8	Very low	35.2	Very low	141 Å²	141	146.5 Å²	146.5	87%	0.865	78%	0.779	S	S	*	*				-174.4	141.6	108.3	25.2	0	0	0	0	112.3
425	N	32.3	Very low	34.8	Very low	138 Å²	138	148.5 Å²	148.5	74%	0.738	78%	0.784	S	S	*	*			trans	-73.6	157.5	-177.1	-59.4	-49.3	0	0	0	112.6
426	N	39.2	Very low	34.4	Very low	140 Å²	140	153.4 Å²	153.4	75%	0.749	80%	0.796	S	S	*	*				178.3	137.8	127.9	-90.7	-0.7	0	0	0	112.7
427	D	40.3	Very low	34.2	Very low	131 Å²	131	152.4 Å²	152.4	70%	0.701	81%	0.806	S	S	*	*			trans	68.6	101.4	146.9	-47	-24.5	0	0	0	118.3
428	E	34.3	Very low	33.9	Very low	176 Å²	176	148.9 Å²	148.9	82%	0.822	80%	0.799	S	S	*	*				78	121.4	88.8	-77.7	-160.3	170.6	0	0	114.1
429	D	31.1	Very low	33.6	Very low	145 Å²	145	150.3 Å²	150.3	78%	0.775	80%	0.797	S	S	*	*			trans	50	105.8	156.7	-64.6	-26.2	0	0	0	119.6
430	D	34.6	Very low	33	Very low	164 Å²	164	154.7 Å²	154.7	88%	0.877	81%	0.805	S	S	*	*				-160.3	121.5	119.1	-115.2	-23.7	0	0	0	114.2
431	K	30.2	Very low	32.6	Very low	189 Å²	189	157 Å²	157	82%	0.822	82%	0.815	S	S	*	*			trans	-67.4	148.4	159.7	-69	179.4	177	174.7	0	107.7
432	S	29.4	Very low	32.6	Very low	114 Å²	114	158.9 Å²	158.9	80%	0.797	82%	0.819	S	S	*	*			trans	90.8	80.1	166.8	82.2	0	0	0	0	118
433	V	31.5	Very low	32.3	Very low	146 Å²	146	154.9 Å²	154.9	89%	0.885	81%	0.813	S	S	*	*			trans	-131.5	65.3	154.9	-171.4	0	0	0	0	109.1
434	F	30.5	Very low	32.5	Very low	208 Å²	208	157.2 Å²	157.2	91%	0.912	82%	0.82	S	S	*	*	S	Bend	trans	-142.6	42.8	167.8	-128	-80.3	0	0	0	110.5
435	Q	30.5	Very low	32.3	Very low	185 Å²	185	159.7 Å²	159.7	86%	0.864	82%	0.819	S	S	*	*	S	Bend	trans	-170.4	92.3	172	-109.4	167.5	14.3	0	0	108.9
436	R	27.5	Very low	32.5	Very low	260 Å²	260	159.5 Å²	159.5	98%	0.981	81%	0.808	S	S	*	*			trans	171.4	103.2	150.4	-97.2	164.2	-157.3	174	7.7	109.1
437	G	30.9	Very low	32.4	Very low	79 Å²	79	156.6 Å²	156.6	81%	0.814	80%	0.795	S	S	*	*			trans	174.1	37.5	178	0	0	0	0	0	111
438	V	29.5	Very low	32.4	Very low	116 Å²	116	151.6 Å²	151.6	70%	0.703	77%	0.769	S	S	*	*			trans	-77	145.8	170.9	-171.9	0	0	0	0	107.1
439	H	27.2	Very low	33	Very low	159 Å²	159	143.7 Å²	143.7	74%	0.736	73%	0.733	S	S	*	*	S	Bend	trans	117.3	102.4	158.3	-53	-61.8	0	0	0	116.2
440	K	27.4	Very low	33.9	Very low	197 Å²	197	137.5 Å²	137.5	86%	0.857	70%	0.699	S	S	*	*	S	Bend	trans	76.1	72.1	141.3	-63	177	173.6	177.8	0	119
441	T	28.6	Very low	34.6	Very low	141 Å²	141	130 Å²	130	87%	0.865	66%	0.66	S	S	*	*			trans	-157.9	10.1	154.7	39.7	0	0	0	0	116.1
442	H	35	Very low	35.4	Very low	182 Å²	182	122.2 Å²	122.2	84%	0.843	63%	0.628	S	S	*	*			trans	-97.4	5.8	-164.5	-127.3	57.9	0	0	0	117.5
443	S	36.6	Very low	35.9	Very low	110 Å²	110	117.3 Å²	117.3	77%	0.769	60%	0.595	S	S	*	*	S	Bend	trans	-92.8	-8.1	-168.1	-164.2	0	0	0	0	116.6
444	Q	37.2	Very low	36.4	Very low	180 Å²	180	113.4 Å²	113.4	84%	0.841	57%	0.567	S	S	*	*	S	Bend	trans	-108.5	5.9	-168.3	-90	176.8	-14.3	0	0	115.9
445	K	34.9	Very low	36.9	Very low	194 Å²	194	106.8 Å²	106.8	84%	0.843	54%	0.539	S	S	*	.			trans	-123.3	0.4	-174.2	-80.1	-174.8	178.9	177.3	0	117.4	V447	K445-V447 PolarHBondContact O-N 2.81Å
446	R	36.4	Very low	37.3	Very low	134 Å²	134	100.8 Å²	100.8	51%	0.506	52%	0.517	S	S	.	.			trans	-80	46.9	171.3	-70.8	-173.1	94.8	158.2	16.6	112.5	D165 E167	D165-R446 IonicContact OD2-CZ 2.7Å; D165-R446 IonicContact OD2-NH1 3.4Å; D165-R446 IonicContact OD2-NH2 3.45Å; D165-R446 PolarHBondContact OD2-NH2 3.4Å; E167-R446 IonicContact OE1-CZ 3.64Å; E167-R446 IonicContact OE1-NE 2.84Å; E167-R446 PolarHBondContact OE1-NE 2.95Å; E167-R446 IonicContact OE1-NH2 3.44Å; E167-R446 PolarHBondContact OE1-NH2 3.01Å; E167-R446 IonicContact OE2-CZ 2.64Å; E167-R446 IonicContact OE2-NE 3.29Å; E167-R446 IonicContact OE2-NH2 3.87Å; E167-R446 PolarHBondContact OE2-NH2 2.97Å
447	V	36.6	Very low	37.7	Very low	79 Å²	79	90 Å²	90	48%	0.479	48%	0.479	S	S	.	.			trans	-74.8	120.1	-179.2	171	0	0	0	0	106.7	K445 E455	K445-V447 PolarHBondContact O-N 2.81Å; V447-E455 HydrophobicContact CG1-CG 4.35Å; V447-E455 WeakPolarHBondContact CG1-OE1 3.39Å; V447-E455 WeakPolarHBondContact CG1-OE2 3.49Å
448	V	41.1	Very low	37.9	Very low	26 Å²	26	96.4 Å²	96.4	16%	0.158	49%	0.485	C	S	.	.			trans	61.9	82.9	177.3	-92.9	0	0	0	0	121.5	T452 E455	V448-T452 HydrophobicContact CB-CG2 4.18Å; V448-T452 HydrophobicContact CG1-CG2 3.62Å; V448-E455 HydrophobicContact CG1-CG 4Å; V448-E455 WeakPolarHBondContact CG1-OE1 3.49Å; V448-E455 WeakPolarHBondContact CG1-OE2 3.31Å; V448-E455 VanDerWaalsContact CG2-CD 3.47Å; V448-E455 WeakPolarHBondContact CG2-OE2 2.88Å; V448-E455 PolarHBondContact N-OE1 2.91Å
449	A	45.6	Very low	38.2	Very low	9 Å²	9	92 Å²	92	7%	0.074	46%	0.46	C	S	.	.	S	Bend	trans	-102.4	-31.7	139.4	0	0	0	0	0	112.1	E167	E167-A449 HydrophobicContact CB-CB 4.42Å; E167-A449 HydrophobicContact CG-CB 4.41Å
450	Y	50.6	Low	38.6	Very low	16 Å²	16	87.6 Å²	87.6	6%	0.063	45%	0.447	C	S	.	.	S	Bend	trans	-100.8	98.6	-171.2	-51.7	-79.7	0	0	0	110.5	D166 E167 N223 P226 G477	D166-Y450 PolarHBondContact O-OH 3Å; E167-Y450 WeakPolarHBondContact CA-OH 2.94Å; E167-Y450 HydrophobicContact CG-CE2 4.46Å; E167-Y450 PolarHBondContact N-OH 3.46Å; N223-Y450 HydrophobicContact CB-CE1 4.02Å; N223-Y450 WeakPolarHBondContact O-CD1 3.21Å; N223-Y450 WeakPolarHBondContact O-CE1 3.18Å; P226-Y450 HydrophobicContact CB-CD1 3.78Å; P226-Y450 HydrophobicContact CB-CD2 4.2Å; P226-Y450 HydrophobicContact CB-CE1 3.59Å; P226-Y450 HydrophobicContact CB-CE2 4.04Å; P226-Y450 HydrophobicContact CB-CG 4.08Å; P226-Y450 HydrophobicContact CG-CD1 4.04Å; P226-Y450 HydrophobicContact CG-CE1 4.34Å; P226-Y450 HydrophobicContact CG-CG 4.17Å; Y450-G477 WeakPolarHBondContact O-CA 3.35Å
451	C	48.4	Very low	39.2	Very low	7 Å²	7	80 Å²	80	5%	0.047	42%	0.421	C	S	.	.			trans	56.1	106.4	173.5	-144.6	0	0	0	0	116.2	A453 I493	C451-A453 PolarHBondContact O-N 3.5Å; C451-I493 PolarHBondContact SG-O 2.9Å
452	T	47.7	Very low	40	Very low	25 Å²	25	80 Å²	80	15%	0.153	41%	0.411	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	1.3	177.7	37.6	0	0	0	0	114.6	P196 K202 V448 M454 S456	P196-T452 PolarHBondContact O-OG1 3.09Å; K202-T452 PolarHBondContact NZ-OG1 3Å; V448-T452 HydrophobicContact CB-CG2 4.18Å; V448-T452 HydrophobicContact CG1-CG2 3.62Å; T452-M454 VanDerWaalsContact C-N 3.34Å; T452-M454 PolarHBondContact O-N 3.47Å; T452-S456 PolarHBondContact O-OG 3.15Å
453	A	40.7	Very low	40.6	Very low	11 Å²	11	74.7 Å²	74.7	9%	0.091	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-42.2	-173.5	0	0	0	0	0	112.6	C451 I457 I479	C451-A453 PolarHBondContact O-N 3.5Å; A453-I457 VanDerWaalsContact O-CD1 3.32Å; A453-I457 WeakPolarHBondContact O-CD1 3.3Å; A453-I457 WeakPolarHBondContact O-CG1 3.4Å; A453-I479 HydrophobicContact CB-CD1 3.58Å; A453-I479 HydrophobicContact CB-CG1 3.76Å
454	M	41.7	Very low	41.4	Very low	64 Å²	64	70.5 Å²	70.5	32%	0.315	36%	0.363	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-43.5	-177.1	-89.2	-124.1	70.9	0	0	114.8	T452 S456 I457 G478 I479 P480	T452-M454 VanDerWaalsContact C-N 3.34Å; T452-M454 PolarHBondContact O-N 3.47Å; M454-S456 PolarHBondContact O-N 2.66Å; M454-I457 PolarHBondContact O-N 3.03Å; M454-G478 WeakPolarHBondContact CG-O 3.48Å; M454-I479 HydrophobicContact CG-CG1 4.47Å; M454-P480 HydrophobicContact CE-CG 4.47Å; M454-P480 VanDerWaalsContact SD-CD 3.53Å; M454-P480 HydrophobicContact SD-CG 4.45Å
455	E	41.5	Very low	42.2	Very low	69 Å²	69	66 Å²	66	32%	0.322	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-9.8	-170.8	-67.2	-175.9	-170.8	0	0	114.7	V447 V448	V447-E455 HydrophobicContact CG1-CG 4.35Å; V447-E455 WeakPolarHBondContact CG1-OE1 3.39Å; V447-E455 WeakPolarHBondContact CG1-OE2 3.49Å; V448-E455 HydrophobicContact CG1-CG 4Å; V448-E455 WeakPolarHBondContact CG1-OE1 3.49Å; V448-E455 WeakPolarHBondContact CG1-OE2 3.31Å; V448-E455 VanDerWaalsContact CG2-CD 3.47Å; V448-E455 WeakPolarHBondContact CG2-OE2 2.88Å; V448-E455 PolarHBondContact N-OE1 2.91Å
456	S	37.9	Very low	43.3	Very low	58 Å²	58	58.5 Å²	58.5	41%	0.406	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	7	177.2	36.2	0	0	0	0	113.2	R197 T452 M454	R197-S456 WeakPolarHBondContact CD-OG 3Å; R197-S456 WeakPolarHBondContact CG-OG 3.47Å; T452-S456 PolarHBondContact O-OG 3.15Å; M454-S456 PolarHBondContact O-N 2.66Å
457	I	36.9	Very low	44.5	Very low	35 Å²	35	56.5 Å²	56.5	18%	0.179	31%	0.307	C	S	.	.			trans	-97.2	81.9	160.1	-60.8	168.7	0	0	0	106	T277 A280 A453 M454 A459	T277-I457 HydrophobicContact CG2-CD1 4.37Å; A280-I457 HydrophobicContact CB-CD1 4.41Å; A453-I457 VanDerWaalsContact O-CD1 3.32Å; A453-I457 WeakPolarHBondContact O-CD1 3.3Å; A453-I457 WeakPolarHBondContact O-CG1 3.4Å; M454-I457 PolarHBondContact O-N 3.03Å; I457-A459 HydrophobicContact CG2-CB 3.32Å; I457-A459 PolarHBondContact O-N 2.97Å
458	K	34.8	Very low	45.5	Very low	213 Å²	213	57.3 Å²	57.3	93%	0.926	32%	0.317	S	S	*	.			trans	-73.3	55	156.7	-75.9	-173.9	178.5	178.6	0	108.3
459	A	35.3	Very low	46.4	Very low	23 Å²	23	60.6 Å²	60.6	19%	0.19	33%	0.33	C	S	.	.			trans	-82.3	141	166.7	0	0	0	0	0	107.3	E276 I457 A461	E276-A459 WeakPolarHBondContact OE2-CB 3.29Å; I457-A459 HydrophobicContact CG2-CB 3.32Å; I457-A459 PolarHBondContact O-N 2.97Å; A459-A461 PolarHBondContact O-N 2.77Å
460	S	36.6	Very low	47.3	Very low	66 Å²	66	61 Å²	61	46%	0.462	33%	0.33	S	S	.	.			trans	-68.8	27.5	173.4	51.3	0	0	0	0	113.5	E462 V573	S460-E462 PolarHBondContact O-N 2.95Å; S460-V573 VanDerWaalsContact OG-CG2 3.31Å; S460-V573 WeakPolarHBondContact OG-CG2 3.32Å
461	A	39.8	Very low	47.9	Very low	38 Å²	38	67.3 Å²	67.3	31%	0.314	35%	0.354	S	S	.	.			trans	-76.4	108.2	170.6	0	0	0	0	0	107.3	E274 A459	E274-A461 WeakPolarHBondContact OE2-CB 3.32Å; A459-A461 PolarHBondContact O-N 2.77Å
462	E	43.7	Very low	48.4	Very low	140 Å²	140	74.9 Å²	74.9	65%	0.654	39%	0.389	S	S	*	.			trans	-49.1	125.3	165.2	-83.2	-78.8	140.6	0	0	107.2	S460 V464	S460-E462 PolarHBondContact O-N 2.95Å; E462-V464 PolarHBondContact O-N 2.9Å
463	P	48.3	Very low	49	Very low	72 Å²	72	79 Å²	79	47%	0.468	41%	0.409	S	S	.	.			trans	-53.7	142.8	-179.6	22.5	-30.8	0	0	0	107.7	E465	P463-E465 WeakPolarHBondContact O-CA 3.42Å; P463-E465 PolarHBondContact O-N 3.34Å
464	V	54.2	Low	49.9	Very low	22 Å²	22	79.6 Å²	79.6	13%	0.133	41%	0.411	C	S	.	.	S	Bend	trans	-27.3	114.9	160	172.5	0	0	0	0	107.3	L309 E462 L466 P480 R488	L309-V464 HydrophobicContact CD1-CG1 3.52Å; E462-V464 PolarHBondContact O-N 2.9Å; V464-L466 HydrophobicContact CG1-CD2 4.39Å; V464-L466 VanDerWaalsContact O-CG 3.29Å; V464-L466 WeakPolarHBondContact O-CG 3.37Å; V464-L466 PolarHBondContact O-N 3.49Å; V464-P480 HydrophobicContact CG2-CB 3.39Å; V464-R488 HydrophobicContact CG1-CB 3.74Å; V464-R488 HydrophobicContact CG1-CG 3.96Å
465	E	52.7	Low	50.7	Low	86 Å²	86	78.2 Å²	78.2	40%	0.402	41%	0.406	S	S	.	.			trans	-56.3	89.3	-166.6	-81.1	171.9	-139.5	0	0	110.7	P463 E467 R488 Y565	P463-E465 WeakPolarHBondContact O-CA 3.42Å; P463-E465 PolarHBondContact O-N 3.34Å; E465-E467 PolarHBondContact O-N 3.42Å; E465-R488 PolarHBondContact O-NH1 3.08Å; E465-Y565 WeakPolarHBondContact OE1-CD2 3.28Å; E465-Y565 WeakPolarHBondContact OE1-CE1 3.38Å; E465-Y565 WeakPolarHBondContact OE1-CE2 3.46Å; E465-Y565 PolarHBondContact OE1-OH 3.33Å
466	L	58.9	Low	51.6	Low	36 Å²	36	77.6 Å²	77.6	19%	0.188	41%	0.41	C	S	.	.			trans	-80.2	119.1	-178.9	-68.5	-177.2	0	0	0	105.9	L309 V464 E470 R471 I474	L309-L466 HydrophobicContact CD1-CD2 3.92Å; L309-L466 HydrophobicContact CD2-CD2 3.94Å; V464-L466 HydrophobicContact CG1-CD2 4.39Å; V464-L466 VanDerWaalsContact O-CG 3.29Å; V464-L466 WeakPolarHBondContact O-CG 3.37Å; V464-L466 PolarHBondContact O-N 3.49Å; L466-E470 VanDerWaalsContact CA-OE2 3.31Å; L466-E470 WeakPolarHBondContact CA-OE2 3.41Å; L466-E470 HydrophobicContact CB-CB 4.17Å; L466-E470 HydrophobicContact CD2-CB 4.1Å; L466-R471 HydrophobicContact CB-CG 3.51Å; L466-R471 HydrophobicContact CD1-CG 4.18Å; L466-R471 PolarHBondContact O-NE 3.2Å; L466-R471 VanDerWaalsContact O-NE 3.1Å; L466-I474 HydrophobicContact CD1-CD1 3.87Å; L466-I474 HydrophobicContact CD2-CD1 3.5Å; L466-I474 VanDerWaalsContact CD2-CD1 3.5Å; L466-I474 HydrophobicContact CG-CD1 4.29Å
467	E	60.8	Low	53	Low	92 Å²	92	75 Å²	75	43%	0.43	39%	0.393	S	S	.	.			trans	-57.6	152	168.6	-65.1	-179.9	164.1	0	0	108.6	K313 E465 E469 E470 R471	K313-E467 IonicContact NZ-OE1 3.89Å; K313-E467 PolarHBondContact NZ-OE1 2.86Å; K313-E467 IonicContact NZ-OE2 3.12Å; K313-E467 PolarHBondContact NZ-OE2 3.49Å; E465-E467 PolarHBondContact O-N 3.42Å; E467-E469 PolarHBondContact O-N 3.35Å; E467-E470 HydrophobicContact CB-CG 4.16Å; E467-E470 PolarHBondContact N-OE2 3.2Å; E467-E470 WeakPolarHBondContact O-CA 3.32Å; E467-E470 WeakPolarHBondContact O-CB 3.26Å; E467-E470 PolarHBondContact O-N 3.5Å; E467-R471 PolarHBondContact O-N 2.92Å
468	S	58	Low	55	Low	96 Å²	96	73.5 Å²	73.5	67%	0.671	39%	0.385	S	S	*	.	H	α-helix	trans	-52.9	-36.2	-176.2	-51.6	0	0	0	0	112.5	R471	S468-R471 PolarHBondContact O-N 3.37Å
469	E	59.9	Low	57.5	Low	94 Å²	94	63.5 Å²	63.5	44%	0.439	34%	0.342	S	S	.	.	H	α-helix	trans	-69.2	-30.5	176.2	-53.8	-173.5	168.9	0	0	113.2	R316 E467 L473	R316-E469 IonicContact CZ-OE2 3.88Å; R316-E469 IonicContact NH1-OE2 3.78Å; R316-E469 PolarHBondContact NH1-OE2 2.92Å; R316-E469 IonicContact NH2-OE2 2.81Å; R316-E469 PolarHBondContact NH2-OE2 3.46Å; E467-E469 PolarHBondContact O-N 3.35Å; E469-L473 WeakPolarHBondContact O-CD1 3.37Å; E469-L473 WeakPolarHBondContact O-CG 3.33Å
470	E	65.3	Low	60	Low	17 Å²	17	63.4 Å²	63.4	8%	0.079	34%	0.34	C	S	.	.	H	α-helix	trans	-75	-37.5	177	-63.4	174.6	149.7	0	0	110.6	L466 E467 E472 L473 I474 R488	L466-E470 VanDerWaalsContact CA-OE2 3.31Å; L466-E470 WeakPolarHBondContact CA-OE2 3.41Å; L466-E470 HydrophobicContact CB-CB 4.17Å; L466-E470 HydrophobicContact CD2-CB 4.1Å; E467-E470 HydrophobicContact CB-CG 4.16Å; E467-E470 PolarHBondContact N-OE2 3.2Å; E467-E470 WeakPolarHBondContact O-CA 3.32Å; E467-E470 WeakPolarHBondContact O-CB 3.26Å; E467-E470 PolarHBondContact O-N 3.5Å; E470-E472 VanDerWaalsContact C-N 3.27Å; E470-E472 PolarHBondContact O-N 3.43Å; E470-L473 PolarHBondContact O-N 3.39Å; E470-L473 VanDerWaalsContact O-N 3.1Å; E470-I474 HydrophobicContact CB-CD1 3.95Å; E470-I474 WeakPolarHBondContact O-CB 3.37Å; E470-I474 VanDerWaalsContact O-CD1 3.31Å; E470-I474 WeakPolarHBondContact O-CD1 3.36Å; E470-I474 VanDerWaalsContact O-CG1 3.24Å; E470-I474 WeakPolarHBondContact O-CG1 3.47Å; E470-I474 PolarHBondContact O-N 2.99Å; E470-R488 IonicContact OE1-NH2 2.69Å; E470-R488 PolarHBondContact OE1-NH2 3.44Å; E470-R488 IonicContact OE2-NH1 2.66Å; E470-R488 IonicContact OE2-NH2 2.63Å
471	R	63.4	Low	62.6	Low	149 Å²	149	60.6 Å²	60.6	56%	0.562	32%	0.32	S	S	*	.	H	α-helix	trans	-61.6	-31.7	178.7	-67.8	-178.6	-175.1	-168.7	-6.1	113.6	L466 E467 S468	L466-R471 HydrophobicContact CB-CG 3.51Å; L466-R471 HydrophobicContact CD1-CG 4.18Å; L466-R471 PolarHBondContact O-NE 3.2Å; L466-R471 VanDerWaalsContact O-NE 3.1Å; E467-R471 PolarHBondContact O-N 2.92Å; S468-R471 PolarHBondContact O-N 3.37Å
472	E	59	Low	65	Low	167 Å²	167	60.7 Å²	60.7	78%	0.78	31%	0.312	S	S	*	.	H	α-helix	trans	-76.7	-27.1	177	-69.2	-176.6	176.6	0	0	112.6	E470	E470-E472 VanDerWaalsContact C-N 3.27Å; E470-E472 PolarHBondContact O-N 3.43Å
473	L	58.9	Low	67.3	Low	110 Å²	110	54.5 Å²	54.5	58%	0.576	28%	0.284	S	S	*	.	H	α-helix	trans	-90.4	-21.5	-176.7	-68.8	169	0	0	0	113.2	E469 E470 P475	E469-L473 WeakPolarHBondContact O-CD1 3.37Å; E469-L473 WeakPolarHBondContact O-CG 3.33Å; E470-L473 PolarHBondContact O-N 3.39Å; E470-L473 VanDerWaalsContact O-N 3.1Å; L473-P475 WeakPolarHBondContact O-CD 3.34Å
474	I	60.6	Low	69.2	Low	25 Å²	25	53.1 Å²	53.1	13%	0.128	27%	0.274	C	S	.	.	S	Bend	trans	-101.5	110.6	-173	-63.7	161.5	0	0	0	109.6	L309 L466 E470 L490	L309-I474 HydrophobicContact CD2-CD1 3.28Å; L309-I474 HydrophobicContact CD2-CG1 4.3Å; L466-I474 HydrophobicContact CD1-CD1 3.87Å; L466-I474 HydrophobicContact CD2-CD1 3.5Å; L466-I474 VanDerWaalsContact CD2-CD1 3.5Å; L466-I474 HydrophobicContact CG-CD1 4.29Å; E470-I474 HydrophobicContact CB-CD1 3.95Å; E470-I474 WeakPolarHBondContact O-CB 3.37Å; E470-I474 VanDerWaalsContact O-CD1 3.31Å; E470-I474 WeakPolarHBondContact O-CD1 3.36Å; E470-I474 VanDerWaalsContact O-CG1 3.24Å; E470-I474 WeakPolarHBondContact O-CG1 3.47Å; E470-I474 PolarHBondContact O-N 2.99Å; I474-L490 HydrophobicContact CG2-CD2 3.29Å
475	P	58.8	Low	70.8	Confident	34 Å²	34	58.1 Å²	58.1	22%	0.221	30%	0.3	C	S	.	.			trans	-63.2	142.6	170.5	29.9	-31.7	0	0	0	109.6	P226 V229 L473 Y492	P226-P475 HydrophobicContact CB-CG 4.4Å; P226-P475 HydrophobicContact CG-CG 4.26Å; V229-P475 HydrophobicContact CG2-CG 3.39Å; L473-P475 WeakPolarHBondContact O-CD 3.34Å; P475-Y492 PolarHBondContact O-OH 2.82Å
476	S	59.9	Low	72.4	Confident	56 Å²	56	55 Å²	55	39%	0.392	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	148.4	176.1	61.1	0	0	0	0	111.3
477	G	68	Low	73.9	Confident	5 Å²	5	54.8 Å²	54.8	5%	0.052	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	122.9	-19	168.1	0	0	0	0	0	116.2	Y450	Y450-G477 WeakPolarHBondContact O-CA 3.35Å
478	G	77.9	Confident	75.4	Confident	2 Å²	2	51.8 Å²	51.8	2%	0.021	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-75.2	140.2	178.6	0	0	0	0	0	112.9	M454 L490 L491	M454-G478 WeakPolarHBondContact CG-O 3.48Å; G478-L490 WeakPolarHBondContact O-CD1 3.46Å; G478-L491 CarbonylContact C-O 3.59Å; G478-L491 VanDerWaalsContact CA-O 3.23Å; G478-L491 WeakPolarHBondContact CA-O 3.48Å
479	I	86.9	Confident	77	Confident	3 Å²	3	47.3 Å²	47.3	2%	0.015	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	126.5	-176.3	-56.2	173.6	0	0	0	109.9	L273 T277 A453 M454 L491 I493	L273-I479 HydrophobicContact CD2-CG2 4.02Å; T277-I479 HydrophobicContact CG2-CG2 3.36Å; A453-I479 HydrophobicContact CB-CD1 3.58Å; A453-I479 HydrophobicContact CB-CG1 3.76Å; M454-I479 HydrophobicContact CG-CG1 4.47Å; I479-L491 HydrophobicContact CB-CB 4.25Å; I479-L491 PolarHBondContact N-O 3.46Å; I479-L491 WeakPolarHBondContact O-CG 3.37Å; I479-L491 PolarHBondContact O-N 2.92Å; I479-I493 HydrophobicContact CD1-CD1 3.51Å; I479-I493 HydrophobicContact CD1-CG1 3.82Å
480	P	88.4	Confident	78.5	Confident	22 Å²	22	43.7 Å²	43.7	14%	0.143	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.9	177.8	28.4	-35.3	0	0	0	111.4	L273 M454 V464	L273-P480 WeakPolarHBondContact CD2-O 3.46Å; M454-P480 HydrophobicContact CE-CG 4.47Å; M454-P480 VanDerWaalsContact SD-CD 3.53Å; M454-P480 HydrophobicContact SD-CG 4.45Å; V464-P480 HydrophobicContact CG2-CB 3.39Å
481	A	91.2	Very high	79.8	Confident	7 Å²	7	42.9 Å²	42.9	6%	0.058	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	178.2	-179.6	0	0	0	0	0	112	I271 W272 L273 L489 L491	I271-A481 HydrophobicContact CG2-CB 3.61Å; W272-A481 CarbonylContact O-C 3.55Å; W272-A481 WeakPolarHBondContact O-CA 3.38Å; W272-A481 WeakPolarHBondContact O-CB 3.41Å; L273-A481 HydrophobicContact CD2-CB 3.57Å; A481-L489 HydrophobicContact CB-CB 4.09Å; A481-L489 PolarHBondContact N-O 3.35Å; A481-L489 PolarHBondContact O-N 2.75Å; A481-L491 HydrophobicContact CB-CD1 3.58Å; A481-L491 HydrophobicContact CB-CD2 4.1Å; A481-L491 HydrophobicContact CB-CG 3.73Å
482	R	91	Very high	81.2	Confident	39 Å²	39	35.8 Å²	35.8	15%	0.147	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.4	170.8	-65	-173	179.9	-63.9	-33.7	111.8	W272 G486 D487 F562	W272-R482 HydrophobicContact CB-CB 4.34Å; W272-R482 PolarHBondContact N-O 3.39Å; W272-R482 PolarHBondContact O-N 2.76Å; R482-G486 PolarHBondContact NH1-O 3.09Å; R482-D487 VanDerWaalsContact CA-O 3.32Å; R482-D487 WeakPolarHBondContact CA-O 3.43Å; R482-F562 VanDerWaalsContact CZ-CE1 3.49Å
483	D	91.2	Very high	82.8	Confident	11 Å²	11	27.9 Å²	27.9	6%	0.059	16%	0.159	C	C	.	.			trans	-83	-173	165.3	79.1	-12.8	0	0	0	110.9	N485 G486 D487 L489 F555	D483-N485 VanDerWaalsContact C-N 3.34Å; D483-N485 WeakPolarHBondContact OD1-CA 3.35Å; D483-N485 WeakPolarHBondContact OD1-CB 3.36Å; D483-N485 PolarHBondContact OD1-N 3.19Å; D483-N485 PolarHBondContact OD2-ND2 3.16Å; D483-G486 PolarHBondContact O-N 3.29Å; D483-G486 PolarHBondContact OD1-N 3.02Å; D483-D487 PolarHBondContact N-O 3.11Å; D483-D487 WeakPolarHBondContact OD1-CB 3.47Å; D483-D487 PolarHBondContact OD1-N 3.33Å; D483-L489 HydrophobicContact CB-CD1 4.01Å; D483-L489 HydrophobicContact CB-CD2 4.48Å; D483-L489 HydrophobicContact CB-CG 4.41Å; D483-F555 WeakPolarHBondContact O-CE1 3.43Å
484	T	88.7	Confident	84.5	Confident	42 Å²	42	22.7 Å²	22.7	26%	0.258	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.4	177.2	58.6	0	0	0	0	113.6	D269 G486	D269-T484 HydrophobicContact CB-CG2 3.61Å; T484-G486 VanDerWaalsContact C-N 3.25Å; T484-G486 PolarHBondContact O-N 2.88Å
485	N	87.9	Confident	86.2	Confident	128 Å²	128	21.6 Å²	21.6	68%	0.684	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-14.3	176.2	-55.4	-59.6	0	0	0	112.2	D483	D483-N485 VanDerWaalsContact C-N 3.34Å; D483-N485 WeakPolarHBondContact OD1-CA 3.35Å; D483-N485 WeakPolarHBondContact OD1-CB 3.36Å; D483-N485 PolarHBondContact OD1-N 3.19Å; D483-N485 PolarHBondContact OD2-ND2 3.16Å
486	G	85.8	Confident	87.8	Confident	19 Å²	19	21.3 Å²	21.3	20%	0.196	12%	0.123	C	C	.	.			trans	89.1	6.4	-174.5	0	0	0	0	0	113.8	R482 D483 T484	R482-G486 PolarHBondContact NH1-O 3.09Å; D483-G486 PolarHBondContact O-N 3.29Å; D483-G486 PolarHBondContact OD1-N 3.02Å; T484-G486 VanDerWaalsContact C-N 3.25Å; T484-G486 PolarHBondContact O-N 2.88Å
487	D	91.1	Very high	89.1	Confident	33 Å²	33	21.6 Å²	21.6	18%	0.176	12%	0.12	C	C	.	.			trans	-59.5	140	173.5	-83.7	4	0	0	0	109.4	N308 D310 R314 R482 D483 L489	N308-D487 PolarHBondContact ND2-OD2 3.46Å; N308-D487 PolarHBondContact OD1-OD2 3.28Å; D310-D487 HydrophobicContact CB-CB 4.34Å; D310-D487 WeakPolarHBondContact OD2-CA 3.26Å; R314-D487 IonicContact NH2-OD2 2.91Å; R314-D487 PolarHBondContact NH2-OD2 3.46Å; R482-D487 VanDerWaalsContact CA-O 3.32Å; R482-D487 WeakPolarHBondContact CA-O 3.43Å; D483-D487 PolarHBondContact N-O 3.11Å; D483-D487 WeakPolarHBondContact OD1-CB 3.47Å; D483-D487 PolarHBondContact OD1-N 3.33Å; D487-L489 PolarHBondContact O-N 3.34Å
488	R	90.7	Very high	90.3	Very high	29 Å²	29	21.5 Å²	21.5	11%	0.109	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	122	179.6	-62.4	173.9	-53.9	144	8.5	108.9	L309 D310 V464 E465 E470	L309-R488 HydrophobicContact CB-CB 4.13Å; L309-R488 WeakPolarHBondContact CB-O 3.34Å; L309-R488 HydrophobicContact CD1-CB 3.92Å; L309-R488 PolarHBondContact N-O 3.28Å; D310-R488 IonicContact OD1-CZ 3.86Å; D310-R488 VanDerWaalsContact OD1-CZ 3.29Å; D310-R488 IonicContact OD1-NE 3.7Å; D310-R488 PolarHBondContact OD1-NE 2.63Å; D310-R488 IonicContact OD1-NH2 3.7Å; D310-R488 PolarHBondContact OD1-NH2 3.17Å; D310-R488 WeakPolarHBondContact OD2-CB 3.42Å; D310-R488 WeakPolarHBondContact OD2-CG 3.41Å; D310-R488 PolarHBondContact OD2-N 3.32Å; D310-R488 IonicContact OD2-NE 3.56Å; D310-R488 PolarHBondContact OD2-NE 2.58Å; V464-R488 HydrophobicContact CG1-CB 3.74Å; V464-R488 HydrophobicContact CG1-CG 3.96Å; E465-R488 PolarHBondContact O-NH1 3.08Å; E470-R488 IonicContact OE1-NH2 2.69Å; E470-R488 PolarHBondContact OE1-NH2 3.44Å; E470-R488 IonicContact OE2-NH1 2.66Å; E470-R488 IonicContact OE2-NH2 2.63Å
489	L	92.2	Very high	90.7	Very high	2 Å²	2	22.2 Å²	22.2	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150.8	179.9	-53.4	-176	0	0	0	111.3	I271 I306 H307 N308 A481 D483 D487 L491	I271-L489 HydrophobicContact CG1-CD1 4.48Å; I271-L489 HydrophobicContact CG2-CD1 4.09Å; I306-L489 HydrophobicContact CG2-CB 4.34Å; I306-L489 HydrophobicContact CG2-CD1 4.02Å; I306-L489 HydrophobicContact CG2-CD2 3.94Å; I306-L489 HydrophobicContact CG2-CG 4.33Å; H307-L489 WeakPolarHBondContact O-CA 3.34Å; N308-L489 HydrophobicContact CB-CD2 3.75Å; A481-L489 HydrophobicContact CB-CB 4.09Å; A481-L489 PolarHBondContact N-O 3.35Å; A481-L489 PolarHBondContact O-N 2.75Å; D483-L489 HydrophobicContact CB-CD1 4.01Å; D483-L489 HydrophobicContact CB-CD2 4.48Å; D483-L489 HydrophobicContact CB-CG 4.41Å; D487-L489 PolarHBondContact O-N 3.34Å; L489-L491 HydrophobicContact CB-CD2 4.1Å; L489-L491 HydrophobicContact CD1-CD2 4.31Å
490	L	91.6	Very high	90.1	Very high	17 Å²	17	26.4 Å²	26.4	9%	0.089	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.3	167.7	-169	74.3	0	0	0	109.1	H307 I474 G478 Y492	H307-L490 HydrophobicContact CB-CB 4.25Å; H307-L490 PolarHBondContact N-O 3.39Å; H307-L490 PolarHBondContact O-N 2.71Å; I474-L490 HydrophobicContact CG2-CD2 3.29Å; G478-L490 WeakPolarHBondContact O-CD1 3.46Å; L490-Y492 HydrophobicContact CD2-CE2 3.9Å; L490-Y492 VanDerWaalsContact CD2-OH 3.3Å; L490-Y492 WeakPolarHBondContact CD2-OH 3.24Å; L490-Y492 HydrophobicContact CG-CE2 4.16Å
491	L	92.5	Very high	89.1	Confident	1 Å²	1	26.8 Å²	26.8	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	133.5	-171.9	-45.7	177.9	0	0	0	111.7	I271 L273 L304 G305 I306 G478 I479 A481 L489 I493 F543	I271-L491 HydrophobicContact CD1-CD2 4.39Å; I271-L491 HydrophobicContact CG2-CD1 3.95Å; I271-L491 HydrophobicContact CG2-CD2 4.23Å; L273-L491 HydrophobicContact CD2-CD1 3.94Å; L304-L491 HydrophobicContact CD1-CB 4.14Å; L304-L491 HydrophobicContact CD1-CD2 4.26Å; G305-L491 WeakPolarHBondContact O-CA 3.13Å; I306-L491 HydrophobicContact CB-CD2 4.49Å; I306-L491 HydrophobicContact CG1-CD2 4.06Å; I306-L491 HydrophobicContact CG2-CD2 4.17Å; G478-L491 CarbonylContact C-O 3.59Å; G478-L491 VanDerWaalsContact CA-O 3.23Å; G478-L491 WeakPolarHBondContact CA-O 3.48Å; I479-L491 HydrophobicContact CB-CB 4.25Å; I479-L491 PolarHBondContact N-O 3.46Å; I479-L491 WeakPolarHBondContact O-CG 3.37Å; I479-L491 PolarHBondContact O-N 2.92Å; A481-L491 HydrophobicContact CB-CD1 3.58Å; A481-L491 HydrophobicContact CB-CD2 4.1Å; A481-L491 HydrophobicContact CB-CG 3.73Å; L489-L491 HydrophobicContact CB-CD2 4.1Å; L489-L491 HydrophobicContact CD1-CD2 4.31Å; L491-I493 HydrophobicContact CB-CG2 4.46Å; L491-F543 HydrophobicContact CD1-CD1 4.35Å; L491-F543 HydrophobicContact CD1-CE1 3.65Å; L491-F543 HydrophobicContact CD1-CZ 4.43Å
492	Y	92.2	Very high	87.6	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	116.8	170.3	-65.3	-89.7	0	0	0	108.5	P226 V229 I231 G305 P475 L490	P226-Y492 HydrophobicContact CG-CD1 4.12Å; P226-Y492 HydrophobicContact CG-CE1 3.78Å; P226-Y492 HydrophobicContact CG-CE2 4.44Å; V229-Y492 HydrophobicContact CG1-CE2 4.4Å; I231-Y492 HydrophobicContact CD1-CD2 3.93Å; I231-Y492 HydrophobicContact CD1-CE2 4.31Å; G305-Y492 PolarHBondContact N-O 3.44Å; G305-Y492 PolarHBondContact O-N 3.31Å; P475-Y492 PolarHBondContact O-OH 2.82Å; L490-Y492 HydrophobicContact CD2-CE2 3.9Å; L490-Y492 VanDerWaalsContact CD2-OH 3.3Å; L490-Y492 WeakPolarHBondContact CD2-OH 3.24Å; L490-Y492 HydrophobicContact CG-CE2 4.16Å
493	I	93.9	Very high	86	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.6	-172.5	60.3	168	0	0	0	112.7	L199 L281 L302 L303 L304 C451 I479 L491 F543	L199-I493 HydrophobicContact CD1-CD1 4Å; L199-I493 HydrophobicContact CD2-CD1 3.96Å; L199-I493 HydrophobicContact CD2-CG1 4.02Å; L281-I493 HydrophobicContact CD1-CD1 3.34Å; L281-I493 HydrophobicContact CD2-CD1 4.16Å; L281-I493 HydrophobicContact CG-CD1 4.41Å; L302-I493 HydrophobicContact CD1-CB 4.38Å; L303-I493 CarbonylContact O-C 3.46Å; L303-I493 VanDerWaalsContact O-CA 3.26Å; L303-I493 WeakPolarHBondContact O-CA 3.45Å; L304-I493 HydrophobicContact CB-CG2 4.36Å; L304-I493 HydrophobicContact CD1-CG2 3.42Å; L304-I493 VanDerWaalsContact CD1-CG2 3.42Å; L304-I493 HydrophobicContact CG-CG2 4.49Å; C451-I493 PolarHBondContact SG-O 2.9Å; I479-I493 HydrophobicContact CD1-CD1 3.51Å; I479-I493 HydrophobicContact CD1-CG1 3.82Å; L491-I493 HydrophobicContact CB-CG2 4.46Å; I493-F543 HydrophobicContact CG2-CZ 4.25Å
494	G	94.3	Very high	84.1	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.3	151.1	169.6	0	0	0	0	0	112.2	L303	L303-G494 PolarHBondContact N-O 3.49Å; L303-G494 PolarHBondContact O-N 3.4Å
495	V	95.3	Very high	82.3	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	132.5	174.2	-178.8	0	0	0	0	109	L199 L200 P201 L292 Y300 S301 L302 I498	L199-V495 HydrophobicContact CB-CG2 4.05Å; L199-V495 PolarHBondContact O-N 2.8Å; L200-V495 HydrophobicContact CD2-CB 4.27Å; L200-V495 HydrophobicContact CD2-CG1 4.33Å; P201-V495 VanDerWaalsContact CD-O 3.23Å; P201-V495 WeakPolarHBondContact CD-O 3.41Å; P201-V495 VanDerWaalsContact CG-O 3.31Å; P201-V495 WeakPolarHBondContact CG-O 3.48Å; L292-V495 HydrophobicContact CD1-CG1 4.07Å; Y300-V495 HydrophobicContact CD2-CG1 3.95Å; Y300-V495 HydrophobicContact CG-CG1 4.3Å; S301-V495 CarbonylContact O-C 3.53Å; S301-V495 VanDerWaalsContact O-CA 3.29Å; S301-V495 WeakPolarHBondContact O-CA 3.29Å; L302-V495 HydrophobicContact CD1-CG2 4.28Å; V495-I498 HydrophobicContact CG1-CG2 3.71Å
496	I	92.7	Very high	80.4	Confident	29 Å²	29	37.9 Å²	37.9	15%	0.149	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	166.3	-178.1	62.1	164.4	0	0	0	112.4	L224 Y300 S301 L303 I498	L224-I496 HydrophobicContact CD1-CG2 3.49Å; L224-I496 VanDerWaalsContact CD1-CG2 3.49Å; Y300-I496 WeakPolarHBondContact CA-O 3.32Å; Y300-I496 WeakPolarHBondContact CB-O 3.29Å; S301-I496 PolarHBondContact N-O 2.81Å; S301-I496 PolarHBondContact O-N 3.02Å; L303-I496 HydrophobicContact CB-CD1 4.04Å; L303-I496 HydrophobicContact CB-CG1 4.24Å; L303-I496 HydrophobicContact CB-CG2 3.99Å; L303-I496 HydrophobicContact CD2-CG2 4.34Å; I496-I498 PolarHBondContact O-N 3.04Å
497	D	88.5	Confident	78.6	Confident	62 Å²	62	45.5 Å²	45.5	33%	0.332	22%	0.215	S	C	.	.			trans	58.4	37.7	176.2	-73.6	-19.4	0	0	0	116	K171 L499	K171-D497 IonicContact NZ-OD1 3.68Å; K171-D497 PolarHBondContact NZ-OD1 3.31Å; D497-L499 VanDerWaalsContact C-N 3.25Å; D497-L499 PolarHBondContact O-N 3.09Å
498	I	92.3	Very high	76.8	Confident	2 Å²	2	51.3 Å²	51.3	1%	0.01	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	3.7	-178	69.4	161.1	0	0	0	115.4	L184 L200 P201 Y203 L292 I297 V495 I496	L184-I498 HydrophobicContact CD2-CD1 4.1Å; L200-I498 HydrophobicContact CD2-CG2 4.39Å; P201-I498 HydrophobicContact CG-CD1 4.21Å; P201-I498 HydrophobicContact CG-CG1 4.13Å; Y203-I498 HydrophobicContact CE2-CD1 4.13Å; Y203-I498 VanDerWaalsContact OH-CG1 3.27Å; Y203-I498 WeakPolarHBondContact OH-CG1 3.46Å; L292-I498 HydrophobicContact CD2-CB 3.86Å; L292-I498 HydrophobicContact CD2-CG2 3.69Å; I297-I498 WeakPolarHBondContact CD1-O 3.43Å; I297-I498 HydrophobicContact CG2-CB 4.29Å; I297-I498 VanDerWaalsContact CG2-O 3.3Å; I297-I498 WeakPolarHBondContact CG2-O 3.29Å; V495-I498 HydrophobicContact CG1-CG2 3.71Å; I496-I498 PolarHBondContact O-N 3.04Å
499	L	87.4	Confident	74.9	Confident	17 Å²	17	53.2 Å²	53.2	9%	0.089	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	0.3	-175.7	-60.3	-173.3	0	0	0	114.1	V173 E177 F180 L181 D497 S501	V173-L499 HydrophobicContact CG1-CD1 3.88Å; E177-L499 HydrophobicContact CB-CB 4.12Å; E177-L499 HydrophobicContact CB-CD1 4.35Å; E177-L499 HydrophobicContact CG-CB 4.23Å; F180-L499 HydrophobicContact CD1-CD2 4.43Å; F180-L499 WeakPolarHBondContact CD1-O 3.48Å; L181-L499 HydrophobicContact CB-CD2 3.82Å; L181-L499 HydrophobicContact CD1-CD2 3.99Å; L181-L499 HydrophobicContact CD2-CD2 4.47Å; L181-L499 HydrophobicContact CG-CD2 4.29Å; D497-L499 VanDerWaalsContact C-N 3.25Å; D497-L499 PolarHBondContact O-N 3.09Å; L499-S501 PolarHBondContact O-N 3.4Å
500	Q	74	Confident	72.8	Confident	91 Å²	91	56.8 Å²	56.8	43%	0.425	27%	0.269	S	S	.	.			trans	-89.9	97.2	177.2	-63.9	-174.8	-22.2	0	0	110.1
501	S	67.5	Low	70.9	Confident	30 Å²	30	57.9 Å²	57.9	21%	0.21	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-86.2	142.1	173.8	73	0	0	0	0	111.8	L499 R503	L499-S501 PolarHBondContact O-N 3.4Å; S501-R503 PolarHBondContact O-N 3.22Å
502	Y	58.3	Low	69	Low	53 Å²	53	65.3 Å²	65.3	21%	0.208	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	4.8	179.4	177.1	-110.7	0	0	0	115	R296 M298 K506 H510 V524	R296-Y502 WeakPolarHBondContact O-CB 3.3Å; R296-Y502 PolarHBondContact O-N 3.01Å; R296-Y502 VanDerWaalsContact O-N 3.08Å; M298-Y502 HydrophobicContact CE-CD2 3.23Å; M298-Y502 HydrophobicContact CE-CE2 4Å; M298-Y502 HydrophobicContact CE-CG 3.94Å; M298-Y502 HydrophobicContact SD-CD2 3.85Å; M298-Y502 HydrophobicContact SD-CG 4.11Å; Y502-K506 HydrophobicContact CD2-CB 3.96Å; Y502-K506 HydrophobicContact CD2-CD 4.4Å; Y502-K506 HydrophobicContact CD2-CG 3.72Å; Y502-K506 HydrophobicContact CE2-CB 3.33Å; Y502-K506 HydrophobicContact CE2-CD 3.62Å; Y502-K506 HydrophobicContact CE2-CG 3.26Å; Y502-H510 PolarHBondContact OH-NE2 3.13Å; Y502-V524 HydrophobicContact CD2-CG1 4.45Å; Y502-V524 HydrophobicContact CE2-CG1 3.22Å; Y502-V524 WeakPolarHBondContact OH-CG1 3.3Å
503	R	57.6	Low	67	Low	176 Å²	176	69.2 Å²	69.2	66%	0.664	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-22.9	-170.3	-79.7	-175.6	161.4	-160	-3.1	116.2	S501	S501-R503 PolarHBondContact O-N 3.22Å
504	V	51.1	Low	64.9	Low	62 Å²	62	73.5 Å²	73.5	38%	0.376	36%	0.364	S	S	.	.	S	Bend	trans	-112.7	-47.5	-165.9	-173.4	0	0	0	0	113.7	K176 K506	K176-V504 HydrophobicContact CD-CG1 4.38Å; K176-V504 HydrophobicContact CD-CG2 4.31Å; V504-K506 VanDerWaalsContact C-N 3.3Å; V504-K506 PolarHBondContact O-N 3.43Å
505	L	52	Low	63	Low	138 Å²	138	80.4 Å²	80.4	72%	0.723	40%	0.4	S	S	*	.	H	α-helix	trans	-70.3	-30.5	-174.7	-87.5	82.3	0	0	0	112.4	E509	L505-E509 PolarHBondContact O-N 2.92Å; L505-E509 VanDerWaalsContact O-N 3.15Å
506	K	47.8	Very low	61.1	Low	32 Å²	32	85.7 Å²	85.7	14%	0.139	43%	0.432	C	S	.	.	H	α-helix	trans	-94.1	-17.1	-169.1	-67.3	-102.9	-166.4	80.6	0	114.4	Y502 V504 M508 E509 H510 V524	Y502-K506 HydrophobicContact CD2-CB 3.96Å; Y502-K506 HydrophobicContact CD2-CD 4.4Å; Y502-K506 HydrophobicContact CD2-CG 3.72Å; Y502-K506 HydrophobicContact CE2-CB 3.33Å; Y502-K506 HydrophobicContact CE2-CD 3.62Å; Y502-K506 HydrophobicContact CE2-CG 3.26Å; V504-K506 VanDerWaalsContact C-N 3.3Å; V504-K506 PolarHBondContact O-N 3.43Å; K506-M508 VanDerWaalsContact C-N 3.35Å; K506-E509 WeakPolarHBondContact CD-OE2 3.43Å; K506-H510 WeakPolarHBondContact O-CB 3.49Å; K506-H510 PolarHBondContact O-CD2 3.06Å; K506-H510 VanDerWaalsContact O-CG 3.3Å; K506-H510 PolarHBondContact O-N 3.46Å; K506-V524 HydrophobicContact CD-CB 3.87Å; K506-V524 HydrophobicContact CD-CG1 3.59Å; K506-V524 HydrophobicContact CD-CG2 3.25Å; K506-V524 VanDerWaalsContact CE-CG2 3.49Å; K506-V524 HydrophobicContact CG-CG1 4.48Å; K506-V524 VanDerWaalsContact NZ-CA 3.32Å
507	K	48.2	Very low	58.6	Low	178 Å²	178	87.5 Å²	87.5	77%	0.774	45%	0.451	S	S	*	.	H	α-helix	trans	-69	-34.7	168.2	-91.2	-170.4	172.8	-170.9	0	111.8	G511	K507-G511 PolarHBondContact O-N 2.65Å
508	M	52.6	Low	56.4	Low	155 Å²	155	91.8 Å²	91.8	76%	0.764	48%	0.475	S	S	*	.	H	α-helix	trans	-75.9	-42.3	171.8	-84.6	-175.9	68.1	0	0	112.1	K506 H510 G511 F512	K506-M508 VanDerWaalsContact C-N 3.35Å; M508-H510 PolarHBondContact O-N 3.5Å; M508-G511 PolarHBondContact O-N 3.27Å; M508-F512 VanDerWaalsContact O-CB 3.27Å; M508-F512 WeakPolarHBondContact O-CB 3.37Å; M508-F512 PolarHBondContact O-N 3.1Å
509	E	51.5	Low	53.8	Low	70 Å²	70	95.2 Å²	95.2	33%	0.327	51%	0.51	S	S	.	.	H	α-helix	trans	-65.5	-36.9	174.5	-79.9	-167.9	120.8	0	0	112.7	L505 K506 K513	L505-E509 PolarHBondContact O-N 2.92Å; L505-E509 VanDerWaalsContact O-N 3.15Å; K506-E509 WeakPolarHBondContact CD-OE2 3.43Å; E509-K513 WeakPolarHBondContact O-CB 3.17Å; E509-K513 VanDerWaalsContact O-CG 3.29Å; E509-K513 WeakPolarHBondContact O-CG 3.37Å; E509-K513 PolarHBondContact O-N 3.42Å; E509-K513 WeakPolarHBondContact OE1-CE 3.48Å; E509-K513 IonicContact OE1-NZ 2.73Å; E509-K513 PolarHBondContact OE1-NZ 3.36Å
510	H	47.1	Very low	51.3	Low	77 Å²	77	104 Å²	104	36%	0.356	55%	0.548	S	S	.	.	H	α-helix	trans	-69.2	-42.3	175	-80.9	-51.4	0	0	0	112	Y502 K506 M508 F512 S514	Y502-H510 PolarHBondContact OH-NE2 3.13Å; K506-H510 WeakPolarHBondContact O-CB 3.49Å; K506-H510 PolarHBondContact O-CD2 3.06Å; K506-H510 VanDerWaalsContact O-CG 3.3Å; K506-H510 PolarHBondContact O-N 3.46Å; M508-H510 PolarHBondContact O-N 3.5Å; H510-F512 VanDerWaalsContact C-N 3.34Å; H510-F512 PolarHBondContact O-N 2.97Å; H510-S514 WeakPolarHBondContact O-CB 3.44Å; H510-S514 PolarHBondContact O-N 2.75Å; H510-S514 PolarHBondContact O-OG 2.83Å
511	G	52.3	Low	49.7	Very low	39 Å²	39	106 Å²	106	40%	0.402	57%	0.566	S	S	.	*	H	α-helix	trans	-67.7	-32.2	177.6	0	0	0	0	0	113.7	K507 M508 S514 L515	K507-G511 PolarHBondContact O-N 2.65Å; M508-G511 PolarHBondContact O-N 3.27Å; G511-S514 PolarHBondContact O-OG 3.47Å; G511-L515 WeakPolarHBondContact O-CD1 3.39Å
512	F	52	Low	48.2	Very low	158 Å²	158	107.2 Å²	107.2	69%	0.693	57%	0.57	S	S	*	*	H	α-helix	trans	-89.1	-37	-178.9	-157	-95.7	0	0	0	112.7	M508 H510 L515	M508-F512 VanDerWaalsContact O-CB 3.27Å; M508-F512 WeakPolarHBondContact O-CB 3.37Å; M508-F512 PolarHBondContact O-N 3.1Å; H510-F512 VanDerWaalsContact C-N 3.34Å; H510-F512 PolarHBondContact O-N 2.97Å; F512-L515 PolarHBondContact O-N 3.29Å
513	K	50	Low	47.3	Very low	81 Å²	81	109.5 Å²	109.5	35%	0.352	59%	0.593	S	S	.	*	H	α-helix	trans	-79.5	-23.8	177.5	-65.7	179	-178.4	170.5	0	113.1	E509 L515 V516 A517 I522	E509-K513 WeakPolarHBondContact O-CB 3.17Å; E509-K513 VanDerWaalsContact O-CG 3.29Å; E509-K513 WeakPolarHBondContact O-CG 3.37Å; E509-K513 PolarHBondContact O-N 3.42Å; E509-K513 WeakPolarHBondContact OE1-CE 3.48Å; E509-K513 IonicContact OE1-NZ 2.73Å; E509-K513 PolarHBondContact OE1-NZ 3.36Å; K513-L515 PolarHBondContact O-N 2.85Å; K513-V516 PolarHBondContact O-N 2.84Å; K513-A517 PolarHBondContact O-N 2.78Å; K513-I522 HydrophobicContact CB-CD1 3.48Å; K513-I522 VanDerWaalsContact CB-CD1 3.48Å; K513-I522 HydrophobicContact CB-CG1 4.38Å; K513-I522 HydrophobicContact CD-CD1 4.18Å; K513-I522 HydrophobicContact CD-CG1 4.3Å; K513-I522 HydrophobicContact CD-CG2 3.93Å; K513-I522 HydrophobicContact CG-CD1 4.46Å
514	S	50.6	Low	46.9	Very low	92 Å²	92	102.2 Å²	102.2	64%	0.643	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	-13.1	170.8	71.6	0	0	0	0	113.5	H510 G511	H510-S514 WeakPolarHBondContact O-CB 3.44Å; H510-S514 PolarHBondContact O-N 2.75Å; H510-S514 PolarHBondContact O-OG 2.83Å; G511-S514 PolarHBondContact O-OG 3.47Å
515	L	55	Low	47.3	Very low	145 Å²	145	100.5 Å²	100.5	76%	0.759	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-11.2	-178.5	-109.2	134.5	0	0	0	113.4	G511 F512 K513	G511-L515 WeakPolarHBondContact O-CD1 3.39Å; F512-L515 PolarHBondContact O-N 3.29Å; K513-L515 PolarHBondContact O-N 2.85Å
516	V	55.6	Low	48.6	Very low	112 Å²	112	99.7 Å²	99.7	68%	0.679	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135	-17	-165.7	-174.1	0	0	0	0	114.8	K513	K513-V516 PolarHBondContact O-N 2.84Å
517	A	39.2	Very low	50.4	Low	67 Å²	67	98.3 Å²	98.3	55%	0.554	55%	0.545	S	S	*	.	S	Bend	trans	-149.9	138	-178.3	0	0	0	0	0	113.9	K513 G519	K513-A517 PolarHBondContact O-N 2.78Å; A517-G519 PolarHBondContact O-N 3.02Å
518	D	42	Very low	52.2	Low	153 Å²	153	93.3 Å²	93.3	82%	0.818	53%	0.526	S	S	*	.			trans	-41.6	128	174.2	-96.7	-38.4	0	0	0	113	K520	D518-K520 PolarHBondContact O-N 3.44Å
519	G	38.8	Very low	54	Low	74 Å²	74	92.4 Å²	92.4	76%	0.763	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	41.9	-168.5	0	0	0	0	0	116.7	A517	A517-G519 PolarHBondContact O-N 3.02Å
520	K	34.8	Very low	56	Low	201 Å²	201	89.1 Å²	89.1	87%	0.874	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-122	2.3	-179.4	-88.6	-176.6	176.7	177	0	117.3	D518	D518-K520 PolarHBondContact O-N 3.44Å
521	T	39.3	Very low	58.2	Low	133 Å²	133	85.5 Å²	85.5	82%	0.816	48%	0.483	S	S	*	.			trans	-139.9	18.6	177.7	40.9	0	0	0	0	115.6	S523	T521-S523 VanDerWaalsContact C-N 3.29Å; T521-S523 PolarHBondContact O-N 3.1Å
522	I	36.8	Very low	60.2	Low	56 Å²	56	88.6 Å²	88.6	29%	0.287	49%	0.487	S	S	.	.			trans	-84.1	78	168.3	-38.9	174.2	0	0	0	108.4	K513 V524	K513-I522 HydrophobicContact CB-CD1 3.48Å; K513-I522 VanDerWaalsContact CB-CD1 3.48Å; K513-I522 HydrophobicContact CB-CG1 4.38Å; K513-I522 HydrophobicContact CD-CD1 4.18Å; K513-I522 HydrophobicContact CD-CG1 4.3Å; K513-I522 HydrophobicContact CD-CG2 3.93Å; K513-I522 HydrophobicContact CG-CD1 4.46Å; I522-V524 HydrophobicContact CG2-CG2 3.56Å; I522-V524 PolarHBondContact O-N 3.02Å
523	S	39.5	Very low	62.3	Low	100 Å²	100	83.6 Å²	83.6	70%	0.699	46%	0.464	S	S	*	.			trans	-72.1	68.8	171.1	-179.1	0	0	0	0	110	T521 T525	T521-S523 VanDerWaalsContact C-N 3.29Å; T521-S523 PolarHBondContact O-N 3.1Å; S523-T525 PolarHBondContact O-N 3.49Å
524	V	49.4	Very low	64.5	Low	23 Å²	23	79.8 Å²	79.8	14%	0.139	45%	0.447	C	S	.	.			trans	-67.8	89.5	153.9	167.5	0	0	0	0	106.2	Y502 K506 I522 H526	Y502-V524 HydrophobicContact CD2-CG1 4.45Å; Y502-V524 HydrophobicContact CE2-CG1 3.22Å; Y502-V524 WeakPolarHBondContact OH-CG1 3.3Å; K506-V524 HydrophobicContact CD-CB 3.87Å; K506-V524 HydrophobicContact CD-CG1 3.59Å; K506-V524 HydrophobicContact CD-CG2 3.25Å; K506-V524 VanDerWaalsContact CE-CG2 3.49Å; K506-V524 HydrophobicContact CG-CG1 4.48Å; K506-V524 VanDerWaalsContact NZ-CA 3.32Å; I522-V524 HydrophobicContact CG2-CG2 3.56Å; I522-V524 PolarHBondContact O-N 3.02Å; V524-H526 PolarHBondContact O-N 3.03Å
525	T	59	Low	66.7	Low	26 Å²	26	77.8 Å²	77.8	16%	0.16	43%	0.428	C	S	.	.			trans	-54.9	118.3	-179.6	-43.3	0	0	0	0	109.2	S523 Y529	S523-T525 PolarHBondContact O-N 3.49Å; T525-Y529 HydrophobicContact CG2-CD1 3.16Å; T525-Y529 HydrophobicContact CG2-CE1 3.85Å; T525-Y529 HydrophobicContact CG2-CG 4.02Å
526	H	79.6	Confident	68.6	Low	121 Å²	121	75.8 Å²	75.8	56%	0.56	41%	0.414	S	S	*	.			trans	-64.1	142.5	178.2	-175.8	-97.2	0	0	0	109.1	V524 L528 Y529 Y530	V524-H526 PolarHBondContact O-N 3.03Å; H526-L528 VanDerWaalsContact ND1-CB 3.31Å; H526-L528 WeakPolarHBondContact ND1-CB 3.45Å; H526-L528 PolarHBondContact ND1-N 2.93Å; H526-L528 PolarHBondContact O-N 3.36Å; H526-Y529 PolarHBondContact O-N 3.43Å; H526-Y530 PolarHBondContact O-N 3.36Å
527	P	84.7	Confident	70.6	Confident	4 Å²	4	71.5 Å²	71.5	3%	0.026	39%	0.387	C	S	.	.	H	α-helix	trans	-52	-35.3	-177.7	-28.6	33.4	0	0	0	114.1	R296 M298 Y530 A531	R296-P527 HydrophobicContact CB-CG 3.83Å; R296-P527 HydrophobicContact CG-CG 4.31Å; M298-P527 HydrophobicContact CG-CB 4.23Å; M298-P527 HydrophobicContact CG-CG 4.04Å; M298-P527 HydrophobicContact SD-CB 4.48Å; M298-P527 HydrophobicContact SD-CG 3.85Å; P527-Y530 PolarHBondContact O-N 2.82Å; P527-A531 WeakPolarHBondContact O-CB 3.32Å; P527-A531 PolarHBondContact O-N 3.37Å
528	L	87	Confident	73.3	Confident	73 Å²	73	68.3 Å²	68.3	38%	0.382	36%	0.361	S	S	.	.	H	α-helix	trans	-62.1	-46.9	174.6	-174.3	65	0	0	0	112.5	K293 H526 A531 Q532	K293-L528 HydrophobicContact CD-CD1 3.99Å; H526-L528 VanDerWaalsContact ND1-CB 3.31Å; H526-L528 WeakPolarHBondContact ND1-CB 3.45Å; H526-L528 PolarHBondContact ND1-N 2.93Å; H526-L528 PolarHBondContact O-N 3.36Å; L528-A531 PolarHBondContact O-N 3.03Å; L528-Q532 WeakPolarHBondContact O-CG 3.43Å; L528-Q532 PolarHBondContact O-N 3.32Å
529	Y	90.6	Very high	75.9	Confident	136 Å²	136	61.4 Å²	61.4	53%	0.533	33%	0.325	S	S	.	.	H	α-helix	trans	-66.9	-40.6	178.8	-179.3	-79.3	0	0	0	110.7	T525 H526 A531 Q532 R533	T525-Y529 HydrophobicContact CG2-CD1 3.16Å; T525-Y529 HydrophobicContact CG2-CE1 3.85Å; T525-Y529 HydrophobicContact CG2-CG 4.02Å; H526-Y529 PolarHBondContact O-N 3.43Å; Y529-A531 VanDerWaalsContact C-N 3.33Å; Y529-A531 PolarHBondContact O-N 2.91Å; Y529-Q532 PolarHBondContact O-N 3.38Å; Y529-R533 HydrophobicContact CD1-CB 4.49Å; Y529-R533 HydrophobicContact CE1-CB 4.35Å; Y529-R533 WeakPolarHBondContact O-CB 3.36Å; Y529-R533 PolarHBondContact O-N 2.93Å
530	Y	92.5	Very high	78.4	Confident	1 Å²	1	65.8 Å²	65.8	0%	0.004	32%	0.319	C	S	.	.	H	α-helix	trans	-56.9	-49.6	175.5	-171.3	-76.8	0	0	0	110.5	K238 M298 D299 Y300 H526 P527 Q532 R533 F534	K238-Y530 WeakPolarHBondContact CD-OH 3.35Å; K238-Y530 WeakPolarHBondContact CG-OH 3.37Å; M298-Y530 HydrophobicContact CB-CD2 4.29Å; M298-Y530 HydrophobicContact CB-CG 4.42Å; D299-Y530 VanDerWaalsContact CA-OH 3.24Å; D299-Y530 WeakPolarHBondContact CA-OH 3.32Å; D299-Y530 VanDerWaalsContact N-CE2 3.32Å; D299-Y530 VanDerWaalsContact N-CZ 3.28Å; Y300-Y530 HydrophobicContact CD1-CD1 4.21Å; Y300-Y530 AromaticContact CD1-CE1 3.8Å; Y300-Y530 HydrophobicContact CD1-CE1 3.8Å; Y300-Y530 AromaticContact CD2-CE1 3.95Å; Y300-Y530 HydrophobicContact CD2-CE1 3.95Å; Y300-Y530 AromaticContact CE1-CD1 3.55Å; Y300-Y530 HydrophobicContact CE1-CD1 3.55Å; Y300-Y530 AromaticContact CE1-CE1 3.57Å; Y300-Y530 HydrophobicContact CE1-CE1 3.57Å; Y300-Y530 HydrophobicContact CE2-CD1 4.15Å; Y300-Y530 AromaticContact CE2-CE1 3.72Å; Y300-Y530 HydrophobicContact CE2-CE1 3.72Å; Y300-Y530 HydrophobicContact CG-CE1 4.01Å; Y300-Y530 AromaticContact CZ-CD1 3.53Å; Y300-Y530 AromaticContact CZ-CE1 3.54Å; Y300-Y530 PolarHBondContact N-OH 2.92Å; Y300-Y530 PolarHBondContact O-OH 3.03Å; H526-Y530 PolarHBondContact O-N 3.36Å; P527-Y530 PolarHBondContact O-N 2.82Å; Y530-Q532 PolarHBondContact O-N 3.07Å; Y530-R533 VanDerWaalsContact CD2-NH2 3.26Å; Y530-R533 PolarHBondContact O-N 3.04Å; Y530-F534 HydrophobicContact CE1-CB 4.47Å; Y530-F534 HydrophobicContact CE1-CD2 4.46Å; Y530-F534 VanDerWaalsContact O-CB 3.24Å; Y530-F534 WeakPolarHBondContact O-CB 3.5Å; Y530-F534 PolarHBondContact O-N 3.19Å
531	A	93.9	Very high	81.3	Confident	1 Å²	1	58.4 Å²	58.4	1%	0.008	29%	0.29	C	S	.	.	H	α-helix	trans	-62.6	-41	179.2	0	0	0	0	0	113	C289 K293 Y300 P527 L528 Y529 Q535	C289-A531 HydrophobicContact CB-CB 4.18Å; K293-A531 HydrophobicContact CB-CB 4.23Å; Y300-A531 WeakPolarHBondContact OH-CA 3.36Å; P527-A531 WeakPolarHBondContact O-CB 3.32Å; P527-A531 PolarHBondContact O-N 3.37Å; L528-A531 PolarHBondContact O-N 3.03Å; Y529-A531 VanDerWaalsContact C-N 3.33Å; Y529-A531 PolarHBondContact O-N 2.91Å; A531-Q535 WeakPolarHBondContact O-CB 3.37Å; A531-Q535 VanDerWaalsContact O-CG 3.3Å; A531-Q535 WeakPolarHBondContact O-CG 3.3Å; A531-Q535 PolarHBondContact O-N 3.24Å; A531-Q535 PolarHBondContact O-NE2 3.44Å
532	Q	94.5	Very high	84.1	Confident	103 Å²	103	52 Å²	52	48%	0.481	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-51.1	176.7	-76.7	172.6	-26.3	0	0	111.6	L528 Y529 Y530 F534 Q535 E536	L528-Q532 WeakPolarHBondContact O-CG 3.43Å; L528-Q532 PolarHBondContact O-N 3.32Å; Y529-Q532 PolarHBondContact O-N 3.38Å; Y530-Q532 PolarHBondContact O-N 3.07Å; Q532-F534 VanDerWaalsContact C-N 3.3Å; Q532-F534 PolarHBondContact O-N 3.09Å; Q532-Q535 PolarHBondContact O-N 3.38Å; Q532-E536 WeakPolarHBondContact O-CB 3.35Å; Q532-E536 PolarHBondContact O-N 3.24Å
533	R	95.2	Very high	86.9	Confident	54 Å²	54	49.4 Å²	49.4	20%	0.204	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-43.3	177.8	-175.4	-171.5	70.8	-158.5	-3.4	111.9	G239 Y529 Y530 F537	G239-R533 WeakPolarHBondContact O-CD 3.33Å; G239-R533 WeakPolarHBondContact O-CG 3.1Å; G239-R533 PolarHBondContact O-NE 3.33Å; G239-R533 VanDerWaalsContact O-NE 3.11Å; Y529-R533 HydrophobicContact CD1-CB 4.49Å; Y529-R533 HydrophobicContact CE1-CB 4.35Å; Y529-R533 WeakPolarHBondContact O-CB 3.36Å; Y529-R533 PolarHBondContact O-N 2.93Å; Y530-R533 VanDerWaalsContact CD2-NH2 3.26Å; Y530-R533 PolarHBondContact O-N 3.04Å; R533-F537 WeakPolarHBondContact O-CB 3.42Å; R533-F537 PolarHBondContact O-N 3.08Å
534	F	96.8	Very high	89.5	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-59.7	-52.9	176.2	-179.6	-90.5	0	0	0	111.2	I285 Y300 L302 Y530 Q532 E536 F537 I538	I285-F534 HydrophobicContact CG2-CD1 4.33Å; I285-F534 HydrophobicContact CG2-CE1 4.03Å; Y300-F534 HydrophobicContact CD2-CD2 4.16Å; Y300-F534 AromaticContact CD2-CE2 3.95Å; Y300-F534 HydrophobicContact CD2-CE2 3.95Å; Y300-F534 HydrophobicContact CD2-CZ 4.12Å; Y300-F534 HydrophobicContact CE2-CB 4.38Å; Y300-F534 AromaticContact CE2-CD1 3.89Å; Y300-F534 HydrophobicContact CE2-CD1 3.89Å; Y300-F534 AromaticContact CE2-CD2 3.87Å; Y300-F534 HydrophobicContact CE2-CD2 3.87Å; Y300-F534 HydrophobicContact CE2-CE1 4.03Å; Y300-F534 HydrophobicContact CE2-CE2 4.01Å; Y300-F534 AromaticContact CE2-CG 3.79Å; Y300-F534 HydrophobicContact CE2-CG 3.79Å; Y300-F534 HydrophobicContact CE2-CZ 4.07Å; L302-F534 HydrophobicContact CB-CE2 4.16Å; L302-F534 HydrophobicContact CB-CZ 3.79Å; Y530-F534 HydrophobicContact CE1-CB 4.47Å; Y530-F534 HydrophobicContact CE1-CD2 4.46Å; Y530-F534 VanDerWaalsContact O-CB 3.24Å; Y530-F534 WeakPolarHBondContact O-CB 3.5Å; Y530-F534 PolarHBondContact O-N 3.19Å; Q532-F534 VanDerWaalsContact C-N 3.3Å; Q532-F534 PolarHBondContact O-N 3.09Å; F534-E536 PolarHBondContact O-N 3.48Å; F534-F537 PolarHBondContact O-N 3.39Å; F534-I538 HydrophobicContact CD1-CG1 4.34Å; F534-I538 HydrophobicContact CE1-CG1 4.12Å; F534-I538 HydrophobicContact CZ-CG1 4.27Å; F534-I538 VanDerWaalsContact O-CG1 3.32Å; F534-I538 WeakPolarHBondContact O-CG1 3.29Å; F534-I538 PolarHBondContact O-N 3.31Å
535	Q	96	Very high	91.6	Very high	51 Å²	51	51 Å²	51	24%	0.238	23%	0.228	C	C	.	.	H	α-helix	trans	-59.8	-44.1	179	-77	168.5	90.3	0	0	112.5	I285 C289 A531 Q532 I538 G539	I285-Q535 HydrophobicContact CG2-CG 3.99Å; C289-Q535 HydrophobicContact CB-CG 4.09Å; A531-Q535 WeakPolarHBondContact O-CB 3.37Å; A531-Q535 VanDerWaalsContact O-CG 3.3Å; A531-Q535 WeakPolarHBondContact O-CG 3.3Å; A531-Q535 PolarHBondContact O-N 3.24Å; A531-Q535 PolarHBondContact O-NE2 3.44Å; Q532-Q535 PolarHBondContact O-N 3.38Å; Q535-I538 PolarHBondContact O-N 2.99Å; Q535-G539 PolarHBondContact O-N 3.33Å
536	E	95.8	Very high	92.7	Very high	102 Å²	102	52.3 Å²	52.3	48%	0.477	23%	0.233	S	C	.	.	H	α-helix	trans	-62.7	-46.5	179.6	-172.9	177.5	176.2	0	0	111.3	Q532 F534 I538 G539 R540	Q532-E536 WeakPolarHBondContact O-CB 3.35Å; Q532-E536 PolarHBondContact O-N 3.24Å; F534-E536 PolarHBondContact O-N 3.48Å; E536-I538 PolarHBondContact O-N 2.77Å; E536-G539 PolarHBondContact O-N 3.29Å; E536-R540 HydrophobicContact CG-CG 4.15Å; E536-R540 WeakPolarHBondContact O-CA 3.42Å; E536-R540 WeakPolarHBondContact O-CB 3.49Å; E536-R540 WeakPolarHBondContact O-CG 3.26Å; E536-R540 PolarHBondContact O-N 3Å; E536-R540 IonicContact OE1-CZ 2.64Å; E536-R540 IonicContact OE1-NH1 2.79Å; E536-R540 PolarHBondContact OE1-NH1 3.04Å
537	F	97.2	Very high	92.1	Very high	23 Å²	23	52.6 Å²	52.6	10%	0.101	24%	0.235	C	C	.	.	H	α-helix	trans	-61.2	-46.1	176.8	179.4	-112.5	0	0	0	111.9	L237 G239 D260 I264 R533 F534 T541 V542	L237-F537 HydrophobicContact CB-CE1 4.09Å; L237-F537 HydrophobicContact CD2-CE1 4.14Å; L237-F537 HydrophobicContact CG-CE1 4.49Å; G239-F537 VanDerWaalsContact CA-CB 3.48Å; G239-F537 VanDerWaalsContact CA-CD1 3.4Å; G239-F537 VanDerWaalsContact CA-CG 3.4Å; D260-F537 HydrophobicContact CB-CE1 4.23Å; D260-F537 HydrophobicContact CB-CZ 3.85Å; D260-F537 WeakPolarHBondContact OD1-CE1 3.45Å; I264-F537 HydrophobicContact CD1-CE2 4.07Å; I264-F537 HydrophobicContact CG1-CE2 4.24Å; R533-F537 WeakPolarHBondContact O-CB 3.42Å; R533-F537 PolarHBondContact O-N 3.08Å; F534-F537 PolarHBondContact O-N 3.39Å; F537-T541 HydrophobicContact CD2-CG2 4.09Å; F537-T541 HydrophobicContact CE2-CG2 3.65Å; F537-T541 HydrophobicContact CZ-CG2 4.42Å; F537-T541 WeakPolarHBondContact O-CA 3.39Å; F537-T541 VanDerWaalsContact O-CB 3.24Å; F537-T541 WeakPolarHBondContact O-CB 3.45Å; F537-T541 PolarHBondContact O-N 3.44Å; F537-V542 HydrophobicContact CD1-CG2 3.86Å; F537-V542 HydrophobicContact CE1-CG2 3.54Å; F537-V542 HydrophobicContact CZ-CG2 3.95Å; F537-V542 PolarHBondContact O-N 2.91Å
538	I	96.8	Very high	90.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	26%	0.259	C	S	.	.	I	π-helix	trans	-65.3	-43.9	179.9	-60.4	-53.3	0	0	0	111.6	L237 I285 L302 F534 Q535 E536 V542 F543	L237-I538 HydrophobicContact CB-CD1 4.23Å; L237-I538 HydrophobicContact CD1-CD1 4.48Å; I285-I538 HydrophobicContact CD1-CB 4.41Å; I285-I538 HydrophobicContact CD1-CG2 3.51Å; L302-I538 HydrophobicContact CB-CD1 4.07Å; L302-I538 HydrophobicContact CD2-CD1 3.63Å; L302-I538 HydrophobicContact CD2-CG1 4.18Å; L302-I538 HydrophobicContact CD2-CG2 4.08Å; F534-I538 HydrophobicContact CD1-CG1 4.34Å; F534-I538 HydrophobicContact CE1-CG1 4.12Å; F534-I538 HydrophobicContact CZ-CG1 4.27Å; F534-I538 VanDerWaalsContact O-CG1 3.32Å; F534-I538 WeakPolarHBondContact O-CG1 3.29Å; F534-I538 PolarHBondContact O-N 3.31Å; Q535-I538 PolarHBondContact O-N 2.99Å; E536-I538 PolarHBondContact O-N 2.77Å; I538-V542 HydrophobicContact CD1-CB 4.33Å; I538-V542 HydrophobicContact CD1-CG2 3.82Å; I538-F543 HydrophobicContact CG2-CD2 3.51Å; I538-F543 HydrophobicContact CG2-CE2 3.66Å; I538-F543 PolarHBondContact O-N 3.16Å
539	G	94.7	Very high	88.6	Confident	7 Å²	7	57.1 Å²	57.1	7%	0.072	26%	0.264	C	S	.	.	I	π-helix	trans	-84	-20.4	-176.6	0	0	0	0	0	115.8	Y278 Q535 E536	Y278-G539 PolarHBondContact OH-O 3.43Å; Q535-G539 PolarHBondContact O-N 3.33Å; E536-G539 PolarHBondContact O-N 3.29Å
540	R	92.8	Very high	86.4	Confident	167 Å²	167	56.9 Å²	56.9	63%	0.63	27%	0.273	S	S	*	.	I	π-helix	trans	-106.3	-29	179.6	-62.1	-170.1	176.2	164.1	-6.7	113.4	E536 K544	E536-R540 HydrophobicContact CG-CG 4.15Å; E536-R540 WeakPolarHBondContact O-CA 3.42Å; E536-R540 WeakPolarHBondContact O-CB 3.49Å; E536-R540 WeakPolarHBondContact O-CG 3.26Å; E536-R540 PolarHBondContact O-N 3Å; E536-R540 IonicContact OE1-CZ 2.64Å; E536-R540 IonicContact OE1-NH1 2.79Å; E536-R540 PolarHBondContact OE1-NH1 3.04Å; R540-K544 WeakPolarHBondContact O-CE 3.41Å; R540-K544 PolarHBondContact O-NZ 2.83Å
541	T	95.7	Very high	84	Confident	45 Å²	45	63.1 Å²	63.1	28%	0.276	30%	0.302	S	S	.	.	I	π-helix	trans	-108.5	-51.8	-175.3	-51.4	0	0	0	0	111.4	I264 G270 F537	I264-T541 HydrophobicContact CG1-CG2 4.03Å; G270-T541 WeakPolarHBondContact CA-O 3.42Å; F537-T541 HydrophobicContact CD2-CG2 4.09Å; F537-T541 HydrophobicContact CE2-CG2 3.65Å; F537-T541 HydrophobicContact CZ-CG2 4.42Å; F537-T541 WeakPolarHBondContact O-CA 3.39Å; F537-T541 VanDerWaalsContact O-CB 3.24Å; F537-T541 WeakPolarHBondContact O-CB 3.45Å; F537-T541 PolarHBondContact O-N 3.44Å
542	V	97.5	Very high	81.3	Confident	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.328	C	S	.	.	I	π-helix	trans	-75.4	-54.9	-171.5	-178.8	0	0	0	0	112.1	L237 F263 I271 L304 F537 I538	L237-V542 HydrophobicContact CD1-CG1 3.88Å; L237-V542 HydrophobicContact CD1-CG2 3.78Å; F263-V542 HydrophobicContact CD1-CG2 4.31Å; F263-V542 HydrophobicContact CE1-CB 4.14Å; F263-V542 HydrophobicContact CE1-CG1 4.17Å; F263-V542 HydrophobicContact CE1-CG2 4.06Å; F263-V542 HydrophobicContact CE2-CG1 4.02Å; F263-V542 HydrophobicContact CZ-CB 4.11Å; F263-V542 HydrophobicContact CZ-CG1 3.66Å; F263-V542 HydrophobicContact CZ-CG2 4.38Å; I271-V542 PolarHBondContact N-O 3.44Å; L304-V542 HydrophobicContact CD2-CG1 4.17Å; F537-V542 HydrophobicContact CD1-CG2 3.86Å; F537-V542 HydrophobicContact CE1-CG2 3.54Å; F537-V542 HydrophobicContact CZ-CG2 3.95Å; F537-V542 PolarHBondContact O-N 2.91Å; I538-V542 HydrophobicContact CD1-CB 4.33Å; I538-V542 HydrophobicContact CD1-CG2 3.82Å
543	F	96.4	Very high	79	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	138.6	179.7	-59.5	-55.9	0	0	0	111	I271 L273 Y278 L281 L302 L304 L491 I493 I538	I271-F543 HydrophobicContact CB-CD1 4.13Å; I271-F543 HydrophobicContact CB-CE1 4.44Å; I271-F543 HydrophobicContact CG2-CD1 4.31Å; I271-F543 HydrophobicContact CG2-CE1 4.48Å; I271-F543 CarbonylContact O-C 3.57Å; I271-F543 WeakPolarHBondContact O-CA 3.3Å; L273-F543 HydrophobicContact CD1-CB 3.86Å; L273-F543 HydrophobicContact CD1-CD1 3.77Å; L273-F543 HydrophobicContact CD1-CD2 4.5Å; L273-F543 HydrophobicContact CD1-CG 3.77Å; L273-F543 HydrophobicContact CG-CD1 4.19Å; Y278-F543 HydrophobicContact CD2-CB 4.22Å; Y278-F543 HydrophobicContact CE2-CB 4.24Å; L281-F543 HydrophobicContact CD2-CD2 3.53Å; L281-F543 HydrophobicContact CD2-CE2 3.62Å; L281-F543 HydrophobicContact CD2-CG 4.06Å; L281-F543 HydrophobicContact CD2-CZ 4.22Å; L302-F543 HydrophobicContact CD2-CE2 4Å; L302-F543 HydrophobicContact CD2-CZ 4.41Å; L304-F543 HydrophobicContact CD1-CZ 4.37Å; L491-F543 HydrophobicContact CD1-CD1 4.35Å; L491-F543 HydrophobicContact CD1-CE1 3.65Å; L491-F543 HydrophobicContact CD1-CZ 4.43Å; I493-F543 HydrophobicContact CG2-CZ 4.25Å; I538-F543 HydrophobicContact CG2-CD2 3.51Å; I538-F543 HydrophobicContact CG2-CE2 3.66Å; I538-F543 PolarHBondContact O-N 3.16Å
544	K	94.3	Very high	76.9	Confident	58 Å²	58	70.7 Å²	70.7	25%	0.252	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.2	175	-56	-59.1	-177.4	160.8	0	110.2	D269 I271 W272 L273 R540	D269-K544 WeakPolarHBondContact O-CE 3.47Å; D269-K544 WeakPolarHBondContact O-CG 3.42Å; I271-K544 PolarHBondContact O-N 3.13Å; W272-K544 HydrophobicContact CD2-CB 3.81Å; W272-K544 HydrophobicContact CD2-CG 4.46Å; W272-K544 HydrophobicContact CE3-CB 3.68Å; W272-K544 HydrophobicContact CG-CB 4.37Å; W272-K544 HydrophobicContact CH2-CB 4.38Å; W272-K544 HydrophobicContact CZ2-CB 4.48Å; W272-K544 HydrophobicContact CZ3-CB 3.99Å; L273-K544 PolarHBondContact N-O 3.27Å; R540-K544 WeakPolarHBondContact O-CE 3.41Å; R540-K544 PolarHBondContact O-NZ 2.83Å
545	R	92.5	Very high	74.6	Confident	99 Å²	99	73 Å²	73	37%	0.374	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.6	176.4	-166.1	176.7	-171.7	-90	3.7	109.3	A275 Y278 D279 Q547	A275-R545 HydrophobicContact CB-CG 4.46Å; Y278-R545 HydrophobicContact CD1-CB 3.65Å; Y278-R545 HydrophobicContact CD1-CG 3.61Å; Y278-R545 HydrophobicContact CD2-CB 3.99Å; Y278-R545 HydrophobicContact CE1-CB 3.77Å; Y278-R545 HydrophobicContact CE1-CG 4.09Å; Y278-R545 HydrophobicContact CE2-CB 4.09Å; Y278-R545 HydrophobicContact CG-CB 3.75Å; Y278-R545 HydrophobicContact CG-CG 3.89Å; D279-R545 IonicContact OD1-CZ 3.73Å; D279-R545 IonicContact OD1-NE 3.03Å; D279-R545 PolarHBondContact OD1-NE 3.28Å; D279-R545 IonicContact OD1-NH2 3.02Å; D279-R545 IonicContact OD2-CZ 3.49Å; D279-R545 IonicContact OD2-NE 2.86Å; D279-R545 PolarHBondContact OD2-NE 3Å; D279-R545 IonicContact OD2-NH2 2.8Å; D279-R545 PolarHBondContact OD2-NH2 2.96Å; R545-Q547 PolarHBondContact O-N 3.48Å; R545-Q547 VanDerWaalsContact O-N 3.17Å
546	I	83	Confident	72.5	Confident	54 Å²	54	73 Å²	73	28%	0.277	38%	0.381	S	S	.	.			trans	-66.9	112.4	166.8	-62.9	169.6	0	0	0	107.1	W272 L273	W272-I546 HydrophobicContact CB-CD1 4.12Å; W272-I546 HydrophobicContact CB-CG1 3.89Å; W272-I546 HydrophobicContact CE3-CG1 3.99Å; L273-I546 WeakPolarHBondContact O-CB 3.25Å; L273-I546 VanDerWaalsContact O-CG1 3.31Å; L273-I546 WeakPolarHBondContact O-CG1 3.36Å; L273-I546 PolarHBondContact O-N 2.79Å
547	Q	65.5	Low	70.3	Confident	127 Å²	127	73.7 Å²	73.7	59%	0.593	39%	0.394	S	S	*	.			trans	-70	155.7	167.4	-57.2	-170.7	33.2	0	0	108.1	R545	R545-Q547 PolarHBondContact O-N 3.48Å; R545-Q547 VanDerWaalsContact O-N 3.17Å
548	S	54	Low	68	Low	77 Å²	77	80.9 Å²	80.9	54%	0.538	43%	0.428	S	S	.	.			trans	-47.9	155.9	-173.8	61	0	0	0	0	112.5	D550	S548-D550 PolarHBondContact O-N 3.27Å; S548-D550 PolarHBondContact OG-OD2 2.77Å; S548-D550 VanDerWaalsContact OG-OD2 3.09Å
549	L	45.8	Very low	65.8	Low	94 Å²	94	82.9 Å²	82.9	49%	0.492	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	5.9	-173.1	-73.5	121.4	0	0	0	117.6	A566	L549-A566 HydrophobicContact CD1-CB 3.28Å; L549-A566 HydrophobicContact CD2-CB 3.33Å; L549-A566 HydrophobicContact CG-CB 3.89Å
550	D	42.4	Very low	63.3	Low	132 Å²	132	86 Å²	86	71%	0.706	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	3	-175	-54.7	-51.3	0	0	0	113.6	S548 P552	S548-D550 PolarHBondContact O-N 3.27Å; S548-D550 PolarHBondContact OG-OD2 2.77Å; S548-D550 VanDerWaalsContact OG-OD2 3.09Å; D550-P552 WeakPolarHBondContact O-CD 3.22Å
551	E	43.1	Very low	61.3	Low	131 Å²	131	86.3 Å²	86.3	61%	0.612	46%	0.462	S	S	*	.			trans	-109.5	94.5	171.1	-73.9	-166.5	157.6	0	0	112	N553	E551-N553 VanDerWaalsContact C-N 3.31Å; E551-N553 PolarHBondContact O-N 3.43Å
552	P	37.8	Very low	58.8	Low	87 Å²	87	88.4 Å²	88.4	57%	0.565	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	8.6	-167.5	-9.3	28.3	0	0	0	115.5	D550	D550-P552 WeakPolarHBondContact O-CD 3.22Å
553	N	45.8	Very low	56.3	Low	154 Å²	154	95.9 Å²	95.9	82%	0.824	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.5	-1.5	-163.7	-72	-16.6	0	0	0	115.7	E551	E551-N553 VanDerWaalsContact C-N 3.31Å; E551-N553 PolarHBondContact O-N 3.43Å
554	V	51.6	Low	54.1	Low	76 Å²	76	104.1 Å²	104.1	46%	0.461	53%	0.527	S	S	.	.	S	Bend	trans	-89	-28.3	-176.5	-173.7	0	0	0	0	112.6	W272	W272-V554 HydrophobicContact CZ2-CG1 4.31Å
555	F	48.1	Very low	51.9	Low	48 Å²	48	106.4 Å²	106.4	21%	0.211	54%	0.535	C	S	.	.	S	Bend	trans	-127.8	121.9	-173.9	-59.7	-76	0	0	0	109.8	W272 D483 T559	W272-F555 HydrophobicContact CD2-CZ 4.42Å; W272-F555 HydrophobicContact CG-CZ 4.16Å; D483-F555 WeakPolarHBondContact O-CE1 3.43Å; F555-T559 HydrophobicContact CB-CG2 3.46Å; F555-T559 VanDerWaalsContact CB-CG2 3.46Å; F555-T559 WeakPolarHBondContact O-CG2 3.21Å
556	G	50.8	Low	49.8	Very low	53 Å²	53	102.7 Å²	102.7	55%	0.546	53%	0.525	S	S	.	.			trans	-61.6	-164.6	-172.8	0	0	0	0	0	116.1	H558 T559	G556-H558 PolarHBondContact O-N 3.45Å; G556-T559 WeakPolarHBondContact O-CG2 3.46Å; G556-T559 PolarHBondContact O-N 2.81Å; G556-T559 VanDerWaalsContact O-N 3.15Å; G556-T559 PolarHBondContact O-OG1 3Å
557	P	50	Low	48.4	Very low	116 Å²	116	106.4 Å²	106.4	75%	0.753	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-60.4	-8.6	-163.6	19.8	-31.2	0	0	0	116.9	T559 S560	P557-T559 PolarHBondContact O-N 3.28Å; P557-S560 PolarHBondContact O-OG 2.99Å
558	H	49.6	Very low	47.8	Very low	173 Å²	173	106.5 Å²	106.5	80%	0.801	54%	0.543	S	S	*	.	G	3₁₀ helix	trans	-72.6	-7.6	174	-72.6	-76	0	0	0	114.6	G556 S560	G556-H558 PolarHBondContact O-N 3.45Å; H558-S560 PolarHBondContact O-N 2.79Å
559	T	49.5	Very low	47.7	Very low	42 Å²	42	104.5 Å²	104.5	26%	0.258	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-70.9	-8.2	179.2	52.1	0	0	0	0	115.7	F555 G556 P557 R561 F562 R563	F555-T559 HydrophobicContact CB-CG2 3.46Å; F555-T559 VanDerWaalsContact CB-CG2 3.46Å; F555-T559 WeakPolarHBondContact O-CG2 3.21Å; G556-T559 WeakPolarHBondContact O-CG2 3.46Å; G556-T559 PolarHBondContact O-N 2.81Å; G556-T559 VanDerWaalsContact O-N 3.15Å; G556-T559 PolarHBondContact O-OG1 3Å; P557-T559 PolarHBondContact O-N 3.28Å; T559-R561 PolarHBondContact O-N 2.89Å; T559-R561 VanDerWaalsContact O-N 3.13Å; T559-F562 WeakPolarHBondContact O-CB 3.17Å; T559-F562 PolarHBondContact O-N 3.23Å; T559-F562 VanDerWaalsContact O-N 3.08Å; T559-R563 PolarHBondContact O-N 3.04Å; T559-R563 VanDerWaalsContact O-N 3.12Å
560	S	42.4	Very low	48.2	Very low	73 Å²	73	105.1 Å²	105.1	51%	0.51	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-61.8	-24.5	-176.1	-54.3	0	0	0	0	114.1	P557 H558	P557-S560 PolarHBondContact O-OG 2.99Å; H558-S560 PolarHBondContact O-N 2.79Å
561	R	51	Low	49.1	Very low	174 Å²	174	101.2 Å²	101.2	66%	0.657	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-43.3	173.6	-62.2	-173	-148.9	170.2	7.3	111.2	T559 R563 R564 Y565	T559-R561 PolarHBondContact O-N 2.89Å; T559-R561 VanDerWaalsContact O-N 3.13Å; R561-R563 PolarHBondContact O-N 3.48Å; R561-R564 PolarHBondContact O-N 2.91Å; R561-Y565 HydrophobicContact CB-CE2 4.4Å; R561-Y565 WeakPolarHBondContact O-CD2 3.46Å; R561-Y565 PolarHBondContact O-N 3.26Å
562	F	43.5	Very low	49.8	Very low	89 Å²	89	97.3 Å²	97.3	39%	0.39	51%	0.507	S	S	.	.	H	α-helix	trans	-52.6	-41.1	175.6	-86.7	-77.8	0	0	0	113.2	R482 T559 R564 Y565 A566	R482-F562 VanDerWaalsContact CZ-CE1 3.49Å; T559-F562 WeakPolarHBondContact O-CB 3.17Å; T559-F562 PolarHBondContact O-N 3.23Å; T559-F562 VanDerWaalsContact O-N 3.08Å; F562-R564 VanDerWaalsContact C-N 3.27Å; F562-R564 PolarHBondContact O-N 3.24Å; F562-Y565 PolarHBondContact O-N 3.17Å; F562-A566 WeakPolarHBondContact O-CB 3.19Å; F562-A566 PolarHBondContact O-N 2.95Å
563	R	45.4	Very low	50.8	Low	156 Å²	156	95.3 Å²	95.3	59%	0.589	49%	0.494	S	S	*	.	H	α-helix	trans	-59	-36.4	178.8	-159.5	-177.1	-68.8	173.5	-1.9	112.8	T559 R561 H567	T559-R563 PolarHBondContact O-N 3.04Å; T559-R563 VanDerWaalsContact O-N 3.12Å; R561-R563 PolarHBondContact O-N 3.48Å; R563-H567 WeakPolarHBondContact O-CB 3.44Å; R563-H567 PolarHBondContact O-N 3.01Å
564	R	50.9	Low	51.5	Low	173 Å²	173	90.6 Å²	90.6	65%	0.653	48%	0.476	S	S	*	.	H	α-helix	trans	-74.6	-46.2	177.8	-86.8	-174.7	-84.4	173.7	-8.1	111.9	R561 F562 A566 H567 M568	R561-R564 PolarHBondContact O-N 2.91Å; F562-R564 VanDerWaalsContact C-N 3.27Å; F562-R564 PolarHBondContact O-N 3.24Å; R564-A566 PolarHBondContact O-N 2.68Å; R564-H567 PolarHBondContact O-N 3.41Å; R564-M568 VanDerWaalsContact O-CG 3.29Å; R564-M568 WeakPolarHBondContact O-CG 3.43Å; R564-M568 PolarHBondContact O-N 3.34Å
565	Y	48	Very low	52	Low	107 Å²	107	92.2 Å²	92.2	42%	0.42	48%	0.482	S	S	.	.	H	α-helix	trans	-64.7	-39.8	-178.3	-74.9	-77.5	0	0	0	112.8	E465 R561 F562 M568 A569	E465-Y565 WeakPolarHBondContact OE1-CD2 3.28Å; E465-Y565 WeakPolarHBondContact OE1-CE1 3.38Å; E465-Y565 WeakPolarHBondContact OE1-CE2 3.46Å; E465-Y565 PolarHBondContact OE1-OH 3.33Å; R561-Y565 HydrophobicContact CB-CE2 4.4Å; R561-Y565 WeakPolarHBondContact O-CD2 3.46Å; R561-Y565 PolarHBondContact O-N 3.26Å; F562-Y565 PolarHBondContact O-N 3.17Å; Y565-M568 PolarHBondContact O-N 2.73Å; Y565-A569 PolarHBondContact O-N 2.85Å
566	A	47.9	Very low	52.5	Low	21 Å²	21	97 Å²	97	17%	0.174	50%	0.502	C	S	.	.	H	α-helix	trans	-72.3	-34.9	179.7	0	0	0	0	0	113.2	L549 F562 R564 M568 A569 Q570	L549-A566 HydrophobicContact CD1-CB 3.28Å; L549-A566 HydrophobicContact CD2-CB 3.33Å; L549-A566 HydrophobicContact CG-CB 3.89Å; F562-A566 WeakPolarHBondContact O-CB 3.19Å; F562-A566 PolarHBondContact O-N 2.95Å; R564-A566 PolarHBondContact O-N 2.68Å; A566-M568 VanDerWaalsContact C-N 3.31Å; A566-M568 PolarHBondContact O-N 3.04Å; A566-A569 PolarHBondContact O-N 2.93Å; A566-Q570 WeakPolarHBondContact O-CG 3.29Å; A566-Q570 PolarHBondContact O-N 3.15Å
567	H	53.9	Low	52.9	Low	131 Å²	131	100 Å²	100	61%	0.606	50%	0.502	S	S	*	.	H	α-helix	trans	-60.9	-40.5	168.3	-111	-78	0	0	0	111.7	R563 R564 A571	R563-H567 WeakPolarHBondContact O-CB 3.44Å; R563-H567 PolarHBondContact O-N 3.01Å; R564-H567 PolarHBondContact O-N 3.41Å; H567-A571 VanDerWaalsContact O-CB 3.27Å; H567-A571 WeakPolarHBondContact O-CB 3.39Å; H567-A571 PolarHBondContact O-N 2.78Å
568	M	53	Low	53.1	Low	130 Å²	130	97.4 Å²	97.4	64%	0.64	49%	0.486	S	S	*	.	H	α-helix	trans	-67.4	-40.5	177.1	-70.2	179.3	77.8	0	0	112.1	R564 Y565 A566 A571 A572	R564-M568 VanDerWaalsContact O-CG 3.29Å; R564-M568 WeakPolarHBondContact O-CG 3.43Å; R564-M568 PolarHBondContact O-N 3.34Å; Y565-M568 PolarHBondContact O-N 2.73Å; A566-M568 VanDerWaalsContact C-N 3.31Å; A566-M568 PolarHBondContact O-N 3.04Å; M568-A571 PolarHBondContact O-N 3.17Å; M568-A572 WeakPolarHBondContact O-CB 3.4Å; M568-A572 PolarHBondContact O-N 3.38Å
569	A	51.8	Low	53.2	Low	34 Å²	34	92.7 Å²	92.7	28%	0.281	47%	0.47	S	S	.	.	H	α-helix	trans	-65.6	-44.5	176.7	0	0	0	0	0	112	Y565 A566 A571 A572 V573	Y565-A569 PolarHBondContact O-N 2.85Å; A566-A569 PolarHBondContact O-N 2.93Å; A569-A571 PolarHBondContact O-N 2.87Å; A569-A572 PolarHBondContact O-N 3.17Å; A569-V573 WeakPolarHBondContact O-CG2 3.4Å; A569-V573 PolarHBondContact O-N 2.71Å
570	Q	55.8	Low	53.2	Low	108 Å²	108	95.1 Å²	95.1	51%	0.505	49%	0.489	S	S	.	.	H	α-helix	trans	-62.7	-41.5	174	-74.9	179	0.9	0	0	112	A566 A572 V573 A574	A566-Q570 WeakPolarHBondContact O-CG 3.29Å; A566-Q570 PolarHBondContact O-N 3.15Å; Q570-A572 PolarHBondContact O-N 2.95Å; Q570-V573 PolarHBondContact O-N 3.47Å; Q570-A574 WeakPolarHBondContact O-CB 3.26Å; Q570-A574 PolarHBondContact O-N 3.26Å
571	A	60.7	Low	53.4	Low	49 Å²	49	100 Å²	100	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-62.7	-40.6	175	0	0	0	0	0	112.1	H567 M568 A569 A574 L575	H567-A571 VanDerWaalsContact O-CB 3.27Å; H567-A571 WeakPolarHBondContact O-CB 3.39Å; H567-A571 PolarHBondContact O-N 2.78Å; M568-A571 PolarHBondContact O-N 3.17Å; A569-A571 PolarHBondContact O-N 2.87Å; A571-A574 PolarHBondContact O-N 2.98Å; A571-L575 WeakPolarHBondContact O-CB 3.44Å; A571-L575 PolarHBondContact O-N 3Å
572	A	58.4	Low	53	Low	49 Å²	49	102.1 Å²	102.1	41%	0.405	51%	0.509	S	S	.	.	H	α-helix	trans	-66.6	-38.4	177.3	0	0	0	0	0	112.7	M568 A569 Q570 L575 K576	M568-A572 WeakPolarHBondContact O-CB 3.4Å; M568-A572 PolarHBondContact O-N 3.38Å; A569-A572 PolarHBondContact O-N 3.17Å; Q570-A572 PolarHBondContact O-N 2.95Å; A572-L575 PolarHBondContact O-N 3.48Å; A572-K576 PolarHBondContact O-N 2.85Å
573	V	57.9	Low	52.8	Low	46 Å²	46	104.7 Å²	104.7	28%	0.279	53%	0.526	S	S	.	.	H	α-helix	trans	-66.4	-44.6	173.9	172.5	0	0	0	0	110.8	S460 A569 Q570 L575 K576 Q577	S460-V573 VanDerWaalsContact OG-CG2 3.31Å; S460-V573 WeakPolarHBondContact OG-CG2 3.32Å; A569-V573 WeakPolarHBondContact O-CG2 3.4Å; A569-V573 PolarHBondContact O-N 2.71Å; Q570-V573 PolarHBondContact O-N 3.47Å; V573-L575 VanDerWaalsContact C-N 3.33Å; V573-L575 PolarHBondContact O-N 3.31Å; V573-K576 PolarHBondContact O-N 3.4Å; V573-Q577 HydrophobicContact CG1-CG 4.42Å; V573-Q577 WeakPolarHBondContact O-CB 3.42Å; V573-Q577 WeakPolarHBondContact O-CG 3.47Å; V573-Q577 PolarHBondContact O-N 3.43Å
574	A	61.5	Low	52.4	Low	55 Å²	55	106.1 Å²	106.1	46%	0.455	54%	0.539	S	S	.	.	H	α-helix	trans	-61.4	-40.6	175.4	0	0	0	0	0	112	Q570 A571 Q577 S578	Q570-A574 WeakPolarHBondContact O-CB 3.26Å; Q570-A574 PolarHBondContact O-N 3.26Å; A571-A574 PolarHBondContact O-N 2.98Å; A574-Q577 PolarHBondContact O-N 2.99Å; A574-S578 WeakPolarHBondContact O-CB 3.49Å; A574-S578 PolarHBondContact O-N 3Å; A574-S578 PolarHBondContact O-OG 3.26Å
575	L	61.2	Low	51.7	Low	110 Å²	110	108.3 Å²	108.3	58%	0.576	55%	0.547	S	S	*	.	H	α-helix	trans	-62.3	-45	173.7	-92.3	152.4	0	0	0	112	A571 A572 V573 S578 T579	A571-L575 WeakPolarHBondContact O-CB 3.44Å; A571-L575 PolarHBondContact O-N 3Å; A572-L575 PolarHBondContact O-N 3.48Å; V573-L575 VanDerWaalsContact C-N 3.33Å; V573-L575 PolarHBondContact O-N 3.31Å; L575-S578 PolarHBondContact O-N 2.96Å; L575-S578 PolarHBondContact O-OG 2.72Å; L575-T579 WeakPolarHBondContact O-CB 3.38Å; L575-T579 WeakPolarHBondContact O-CG2 3.26Å; L575-T579 PolarHBondContact O-N 2.59Å; L575-T579 PolarHBondContact O-OG1 3.21Å
576	K	59.2	Low	50.9	Low	147 Å²	147	109 Å²	109	64%	0.639	57%	0.565	S	S	*	*	H	α-helix	trans	-64.4	-39.5	175.6	-80	-178.6	177.9	177.3	0	112.8	A572 V573 T579 S580	A572-K576 PolarHBondContact O-N 2.85Å; V573-K576 PolarHBondContact O-N 3.4Å; K576-T579 VanDerWaalsContact CA-OG1 3.28Å; K576-T579 WeakPolarHBondContact CA-OG1 3.29Å; K576-T579 PolarHBondContact O-OG1 2.95Å; K576-S580 WeakPolarHBondContact O-CB 3.39Å; K576-S580 PolarHBondContact O-N 3.26Å
577	Q	58.6	Low	50.1	Low	117 Å²	117	117 Å²	117	55%	0.547	60%	0.601	S	S	.	*	H	α-helix	trans	-70.9	-33.7	176.5	-69.7	179.2	5.5	0	0	112.3	V573 A574 K581	V573-Q577 HydrophobicContact CG1-CG 4.42Å; V573-Q577 WeakPolarHBondContact O-CB 3.42Å; V573-Q577 WeakPolarHBondContact O-CG 3.47Å; V573-Q577 PolarHBondContact O-N 3.43Å; A574-Q577 PolarHBondContact O-N 2.99Å; Q577-K581 WeakPolarHBondContact O-CG 3.37Å; Q577-K581 PolarHBondContact O-N 3.16Å
578	S	54.2	Low	49.1	Very low	61 Å²	61	115.1 Å²	115.1	43%	0.427	61%	0.608	S	S	.	*	H	α-helix	trans	-72.3	-35	175.4	79.5	0	0	0	0	113.1	A574 L575 R582	A574-S578 WeakPolarHBondContact O-CB 3.49Å; A574-S578 PolarHBondContact O-N 3Å; A574-S578 PolarHBondContact O-OG 3.26Å; L575-S578 PolarHBondContact O-N 2.96Å; L575-S578 PolarHBondContact O-OG 2.72Å; S578-R582 PolarHBondContact O-N 3.21Å; S578-R582 VanDerWaalsContact O-N 3.16Å
579	T	53.2	Low	48	Very low	74 Å²	74	113.6 Å²	113.6	45%	0.454	62%	0.616	S	S	.	*	H	α-helix	trans	-74.2	-36.1	177.4	44.8	0	0	0	0	111.6	L575 K576 K581 R582 L583	L575-T579 WeakPolarHBondContact O-CB 3.38Å; L575-T579 WeakPolarHBondContact O-CG2 3.26Å; L575-T579 PolarHBondContact O-N 2.59Å; L575-T579 PolarHBondContact O-OG1 3.21Å; K576-T579 VanDerWaalsContact CA-OG1 3.28Å; K576-T579 WeakPolarHBondContact CA-OG1 3.29Å; K576-T579 PolarHBondContact O-OG1 2.95Å; T579-K581 VanDerWaalsContact C-N 3.35Å; T579-R582 PolarHBondContact O-N 3.46Å; T579-L583 PolarHBondContact O-N 3.27Å
580	S	48.8	Very low	47.1	Very low	94 Å²	94	118.9 Å²	118.9	66%	0.657	64%	0.638	S	S	*	*	H	α-helix	trans	-71.6	-26.2	174.1	-149.8	0	0	0	0	113.3	K576	K576-S580 WeakPolarHBondContact O-CB 3.39Å; K576-S580 PolarHBondContact O-N 3.26Å
581	K	47.5	Very low	45.9	Very low	176 Å²	176	122.5 Å²	122.5	77%	0.765	65%	0.652	S	S	*	*	H	α-helix	trans	-82.9	-13.3	171.5	-72.4	179.3	-179.3	179.6	0	113.6	Q577 T579	Q577-K581 WeakPolarHBondContact O-CG 3.37Å; Q577-K581 PolarHBondContact O-N 3.16Å; T579-K581 VanDerWaalsContact C-N 3.35Å
582	R	41.7	Very low	44.7	Very low	218 Å²	218	127 Å²	127	82%	0.823	68%	0.675	S	S	*	*	H	α-helix	trans	-92.3	-8.3	174.5	-107.1	-179.4	178.2	-174.6	-0.2	114.2	S578 T579	S578-R582 PolarHBondContact O-N 3.21Å; S578-R582 VanDerWaalsContact O-N 3.16Å; T579-R582 PolarHBondContact O-N 3.46Å
583	L	38.6	Very low	43.4	Very low	143 Å²	143	132.6 Å²	132.6	75%	0.749	70%	0.697	S	S	*	*	S	Bend	trans	-95.4	10.3	-179.8	-109.6	88	0	0	0	115.1	T579	T579-L583 PolarHBondContact O-N 3.27Å
584	H	37.2	Very low	42.2	Very low	185 Å²	185	137.3 Å²	137.3	86%	0.856	72%	0.721	S	S	*	*			trans	-118.6	69.1	166.3	-78.3	-1.3	0	0	0	109.8
585	R	36	Very low	41.1	Very low	220 Å²	220	141 Å²	141	83%	0.83	73%	0.733	S	S	*	*	S	Bend	trans	-125.5	126	163	-142.7	178.6	-172.1	-164.4	1.1	105.7	M587	R585-M587 PolarHBondContact O-N 3.42Å
586	P	31.5	Very low	39.8	Very low	122 Å²	122	141.1 Å²	141.1	79%	0.792	74%	0.738	S	S	*	*			trans	-62.9	123.3	-176.6	25.3	-30.6	0	0	0	108.6	A588	P586-A588 PolarHBondContact O-N 3.06Å
587	M	30.4	Very low	38.8	Very low	188 Å²	188	140.8 Å²	140.8	93%	0.926	74%	0.742	S	S	*	*			trans	-68.8	97.5	168	-89.5	-145.4	-176.1	0	0	108.1	R585	R585-M587 PolarHBondContact O-N 3.42Å
588	A	32.9	Very low	37.7	Very low	91 Å²	91	141.3 Å²	141.3	75%	0.752	75%	0.749	S	S	*	*			trans	-102	119	159.8	0	0	0	0	0	108.4	P586	P586-A588 PolarHBondContact O-N 3.06Å
589	A	31.7	Very low	36.9	Very low	99 Å²	99	145.3 Å²	145.3	82%	0.818	76%	0.764	S	S	*	*			trans	64.2	105.6	157.5	0	0	0	0	0	119.2
590	I	31.6	Very low	36	Very low	144 Å²	144	146.1 Å²	146.1	74%	0.738	78%	0.778	S	S	*	*			trans	-120.6	114.9	151.2	-69.8	-179.6	0	0	0	107.7
591	K	31.4	Very low	35.4	Very low	184 Å²	184	147.1 Å²	147.1	80%	0.8	78%	0.776	S	S	*	*			trans	64.6	109.2	150.8	-66	172.9	179.2	-175.5	0	119.6
592	T	34.4	Very low	34.9	Very low	144 Å²	144	147.4 Å²	147.4	88%	0.883	78%	0.778	S	S	*	*				-143.2	122	118.3	41.3	0	0	0	0	108.7
593	L	30.8	Very low	34.6	Very low	166 Å²	166	140.1 Å²	140.1	87%	0.869	77%	0.77	S	S	*	*			trans	-74.8	122.3	158.4	-83.4	115.3	0	0	0	107
594	D	33.5	Very low	34.5	Very low	146 Å²	146	139.5 Å²	139.5	78%	0.781	77%	0.772	S	S	*	*				-172.7	151.2	124.2	-120.8	-13.4	0	0	0	110.4
595	D	38.2	Very low	34.4	Very low	133 Å²	133	136.1 Å²	136.1	71%	0.711	77%	0.765	S	S	*	*			trans	85.2	91.1	160.6	-60.5	-18.5	0	0	0	121.3
596	T	35.3	Very low	34.2	Very low	111 Å²	111	131 Å²	131	68%	0.681	76%	0.762	S	S	*	*				66.3	120.2	121.2	28.4	0	0	0	0	123.3
597	I	36.4	Very low	34.4	Very low	141 Å²	141	133.4 Å²	133.4	72%	0.723	76%	0.762	S	S	*	*			trans	71.7	126.8	130.7	-60.5	165.9	0	0	0	115.6
598	D	37.3	Very low	34.5	Very low	128 Å²	128	129.8 Å²	129.8	68%	0.684	76%	0.756	S	S	*	*			cis	-162.5	148.5	26.8	-128.5	-17.2	0	0	0	112.4
599	L	36.2	Very low	34.7	Very low	145 Å²	145	129.3 Å²	129.3	76%	0.759	76%	0.759	S	S	*	*			trans	25.4	118.8	142.2	-67.8	161.8	0	0	0	120.7
600	A	34.9	Very low	34.9	Very low	90 Å²	90	134.4 Å²	134.4	74%	0.744	76%	0.763	S	S	*	*				77.3	141.3	95.8	0	0	0	0	0	113.2
601	D	36.6	Very low	35.1	Very low	115 Å²	115	131.9 Å²	131.9	62%	0.615	76%	0.759	S	S	*	*			cis	-168.7	149.3	29.1	-164.5	17.6	0	0	0	109.1
602	K	37.1	Very low	35.5	Very low	183 Å²	183	129 Å²	129	80%	0.796	76%	0.757	S	S	*	*			trans	44.4	141.2	147.2	-80.1	165.6	-149.4	138.9	0	125.2
603	G	34.8	Very low	35.7	Very low	65 Å²	65	128.5 Å²	128.5	67%	0.67	75%	0.748	S	S	*	*			trans	125.9	84.9	133	0	0	0	0	0	114.9
604	T	36	Very low	36.1	Very low	129 Å²	129	125.4 Å²	125.4	79%	0.791	74%	0.737	S	S	*	*				85.1	114	86	-56.4	0	0	0	0	114.9
605	T	34.9	Very low	36.1	Very low	115 Å²	115	129.7 Å²	129.7	71%	0.706	74%	0.742	S	S	*	*			trans	75.3	127.4	145.1	55.9	0	0	0	0	124.2
606	C	31.9	Very low	36	Very low	112 Å²	112	134.1 Å²	134.1	76%	0.757	75%	0.749	S	S	*	*			trans	63.5	143.4	135.5	-58	0	0	0	0	117.6
607	E	35.6	Very low	36.1	Very low	172 Å²	172	143 Å²	143	80%	0.804	77%	0.772	S	S	*	*			cis	-166.3	154.3	18.2	-137.8	173.5	-174.2	0	0	108.6
608	S	33.5	Very low	36.1	Very low	112 Å²	112	143.1 Å²	143.1	78%	0.783	77%	0.774	S	S	*	*			trans	28	126.2	152.8	64.8	0	0	0	0	122.1
609	G	36.9	Very low	36	Very low	81 Å²	81	143.8 Å²	143.8	84%	0.835	78%	0.779	S	S	*	*			trans	-176.4	113	158.7	0	0	0	0	0	112.8
610	K	35.5	Very low	36	Very low	206 Å²	206	143.8 Å²	143.8	90%	0.896	78%	0.78	S	S	*	*			trans	-69.3	158.1	-172.8	-68.3	169.8	171.3	171.6	0	114.1
611	S	36.6	Very low	36.1	Very low	92 Å²	92	146.9 Å²	146.9	64%	0.643	78%	0.782	S	S	*	*			trans	97.8	125	132.7	-157.3	0	0	0	0	118.6
612	T	38.8	Very low	36	Very low	124 Å²	124	148.9 Å²	148.9	76%	0.761	79%	0.792	S	S	*	*			trans	65.6	137.5	143.7	49	0	0	0	0	116.1
613	D	39.2	Very low	36	Very low	132 Å²	132	146.7 Å²	146.7	71%	0.706	79%	0.792	S	S	*	*			cis	-168.3	160.7	22.2	-154.1	-11.1	0	0	0	109.2
614	T	37.9	Very low	36	Very low	102 Å²	102	152.5 Å²	152.5	63%	0.626	80%	0.801	S	S	*	*			trans	64.8	121.5	146.7	51.1	0	0	0	0	123.6
615	R	34	Very low	36	Very low	235 Å²	235	154.3 Å²	154.3	89%	0.887	80%	0.802	S	S	*	*			trans	75.8	112.9	132.2	-76	179.3	175.1	176.4	-0.4	118.6
616	R	36.8	Very low	36.1	Very low	227 Å²	227	157.6 Å²	157.6	86%	0.857	81%	0.81	S	S	*	*				-167.9	132.5	110.5	-101.5	-178.9	-170.8	176.3	3.6	111.7
617	Y	36.9	Very low	36.5	Very low	296 Å²	296	161.7 Å²	161.7	100%	1.161	81%	0.814	S	S	*	*			trans	58	0	152.2	-73	-81.7	0	0	0	121.4

Retrieved 617 of 617 residues in 95.4 ms (Link to these results)

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