A0A087Y3Y9_POEFO Loading...

Propionyl-CoA carboxylase beta chain, mitochondrial

AlphaFold DB , UniProt , Accession A0A087Y3Y9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 561 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	33.8	Very low	27.5	Very low	237 Å²	237	147 Å²	147	100%	1.167	84%	0.836	S	S	*	*				0	109.4	0	-77.1	165.4	151.9	0	0	106.1
2	M	26.2	Very low	27.3	Very low	192 Å²	192	145.7 Å²	145.7	95%	0.946	84%	0.84	S	S	*	*				49.5	129.8	50.6	-81.6	-174.8	162.5	0	0	111.6
3	A	26.8	Very low	27.1	Very low	85 Å²	85	139 Å²	139	70%	0.702	82%	0.822	S	S	*	*			cis	-142.4	149.7	10.7	0	0	0	0	0	108.6
4	A	30.8	Very low	27.2	Very low	89 Å²	89	139.4 Å²	139.4	74%	0.736	82%	0.817	S	S	*	*				50.6	114.6	69.6	0	0	0	0	0	115.1
5	F	26.5	Very low	27.2	Very low	210 Å²	210	140.7 Å²	140.7	92%	0.921	81%	0.809	S	S	*	*			trans	-157.6	143	142.8	-113.3	-72.9	0	0	0	112.4
6	T	26.1	Very low	27.3	Very low	129 Å²	129	145.8 Å²	145.8	79%	0.791	81%	0.811	S	S	*	*			trans	-133.2	150	-179.7	-45.9	0	0	0	0	108.2
7	V	27.2	Very low	27.3	Very low	131 Å²	131	141.6 Å²	141.6	79%	0.794	81%	0.808	S	S	*	*			trans	169.7	119.6	158	143.1	0	0	0	0	106.3
8	A	26.1	Very low	27.3	Very low	84 Å²	84	142.6 Å²	142.6	69%	0.694	81%	0.81	S	S	*	*				68.5	141.8	69.2	0	0	0	0	0	113
9	R	25.7	Very low	27.3	Very low	241 Å²	241	147.7 Å²	147.7	91%	0.909	82%	0.815	S	S	*	*			cis	-167.7	-177.3	-9.1	-139.5	-178.6	-177.8	-176.7	2	109.3
10	S	26.1	Very low	27.4	Very low	110 Å²	110	147.2 Å²	147.2	77%	0.769	82%	0.816	S	S	*	*			trans	76.9	154	167.8	90.7	0	0	0	0	116.9
11	S	27.4	Very low	27.5	Very low	109 Å²	109	145.1 Å²	145.1	76%	0.762	81%	0.811	S	S	*	*			cis	-172.3	165.6	5.1	17.8	0	0	0	0	109.4
12	C	24.8	Very low	27.2	Very low	131 Å²	131	142.1 Å²	142.1	89%	0.885	80%	0.799	S	S	*	*			cis	-172.8	155.6	-20	-172.2	0	0	0	0	109.5
13	G	25.3	Very low	27.3	Very low	59 Å²	59	144.1 Å²	144.1	61%	0.608	80%	0.796	S	S	*	*			trans	159.9	104.6	172.4	0	0	0	0	0	114
14	L	27.8	Very low	27.3	Very low	144 Å²	144	145.1 Å²	145.1	75%	0.754	80%	0.798	S	S	*	*				59.8	124.4	91.3	-81	122.7	0	0	0	114.1
15	F	27.6	Very low	27.2	Very low	159 Å²	159	148.7 Å²	148.7	70%	0.697	80%	0.804	S	S	*	*			cis	-155.6	164.7	46.6	-111.2	-82.3	0	0	0	115.6
16	R	28.7	Very low	27.4	Very low	223 Å²	223	142.5 Å²	142.5	84%	0.842	79%	0.791	S	S	*	*			trans	-7.9	154.1	161.7	-66.9	166.4	-178.2	176.1	-2.7	119.3
17	G	26.7	Very low	27.4	Very low	74 Å²	74	144.8 Å²	144.8	76%	0.763	79%	0.793	S	S	*	*			cis	170	-173.4	9.1	0	0	0	0	0	108.2
18	L	27.4	Very low	27.5	Very low	159 Å²	159	144.8 Å²	144.8	83%	0.832	79%	0.787	S	S	*	*			cis	-155.2	-165.4	-3	-157.5	88.1	0	0	0	108.2
19	R	27.8	Very low	27.6	Very low	240 Å²	240	150.1 Å²	150.1	91%	0.906	80%	0.795	S	S	*	*			trans	-146	153.2	166.8	-83.1	-177.3	172.7	177.4	-2.8	110.4
20	V	28.8	Very low	27.8	Very low	138 Å²	138	150.1 Å²	150.1	84%	0.836	80%	0.796	S	S	*	*			trans	-131.6	146.9	163.5	176.9	0	0	0	0	109.1
21	S	29.5	Very low	27.8	Very low	103 Å²	103	148.7 Å²	148.7	72%	0.72	80%	0.799	S	S	*	*			trans	-125.2	158.8	-179.8	87.3	0	0	0	0	111
22	L	27.4	Very low	27.8	Very low	175 Å²	175	148.7 Å²	148.7	92%	0.916	81%	0.806	S	S	*	*			trans	-142.1	141.6	164	-103.2	153.7	0	0	0	111.3
23	R	28.2	Very low	28.2	Very low	234 Å²	234	147.4 Å²	147.4	88%	0.883	80%	0.804	S	S	*	*			trans	-116.3	154.1	178.3	-68.2	174.2	166.3	-175.6	-4.3	109.8
24	S	27.7	Very low	28.4	Very low	105 Å²	105	149.7 Å²	149.7	73%	0.734	82%	0.818	S	S	*	*			trans	174.2	123.5	143.4	-129.7	0	0	0	0	108.7
25	L	29.3	Very low	28.8	Very low	165 Å²	165	148 Å²	148	86%	0.864	82%	0.824	S	S	*	*				56.2	136.8	83.5	-61.1	165.3	0	0	0	113.9
26	A	29.6	Very low	29	Very low	79 Å²	79	145.2 Å²	145.2	65%	0.653	83%	0.831	S	S	*	*			cis	-167.2	150.5	-8.2	0	0	0	0	0	111.6
27	Q	27	Very low	29.5	Very low	177 Å²	177	140.5 Å²	140.5	83%	0.827	83%	0.832	S	S	*	*			trans	49.6	137.5	134.7	-150	-179	41.6	0	0	122
28	I	28.2	Very low	29.7	Very low	131 Å²	131	142.3 Å²	142.3	67%	0.672	83%	0.833	S	S	*	*			trans	151.2	124.8	130.3	-79.5	173.4	0	0	0	117.2
29	K	28.4	Very low	30.1	Very low	197 Å²	197	140.5 Å²	140.5	86%	0.857	83%	0.831	S	S	*	*			trans	75.9	146.9	148.6	-80.3	168.7	-168.6	178.5	0	126.3
30	Y	29.6	Very low	30.4	Very low	240 Å²	240	138.3 Å²	138.3	94%	0.941	83%	0.831	S	S	*	*			trans	-75.1	157.8	169.8	-77.7	-109.5	0	0	0	113.4
31	G	26.4	Very low	30.8	Very low	81 Å²	81	139 Å²	139	84%	0.835	83%	0.828	S	S	*	*			trans	-166.2	150.1	166.4	0	0	0	0	0	111.3
32	A	28.4	Very low	31.2	Very low	108 Å²	108	139.6 Å²	139.6	89%	0.893	83%	0.83	S	S	*	*			trans	-107.9	167.3	-162.4	0	0	0	0	0	116.2
33	A	31.9	Very low	31.7	Very low	104 Å²	104	139.5 Å²	139.5	86%	0.86	83%	0.829	S	S	*	*			trans	-21	142.2	175.6	0	0	0	0	0	121
34	A	29.7	Very low	32.1	Very low	107 Å²	107	137 Å²	137	88%	0.884	83%	0.828	S	S	*	*			trans	-142.5	140.4	144.9	0	0	0	0	0	109
35	A	36.2	Very low	32.9	Very low	108 Å²	108	138 Å²	138	89%	0.893	83%	0.831	S	S	*	*			trans	-99.1	144.5	-173.6	0	0	0	0	0	112.7
36	A	31.8	Very low	33.5	Very low	101 Å²	101	136.4 Å²	136.4	84%	0.835	82%	0.824	S	S	*	*			trans	-147.9	132.2	161.5	0	0	0	0	0	109.6
37	S	38.8	Very low	33.7	Very low	125 Å²	125	138 Å²	138	87%	0.874	83%	0.829	S	S	*	*			trans	-81	139.2	-174	51.2	0	0	0	0	113.3
38	S	32.6	Very low	34.1	Very low	111 Å²	111	139.6 Å²	139.6	78%	0.776	83%	0.827	S	S	*	*			trans	-117.9	136.6	169	-55.5	0	0	0	0	110
39	P	35.3	Very low	34.4	Very low	121 Å²	121	144.7 Å²	144.7	79%	0.786	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-70.4	145.4	-176.5	-16.5	30.5	0	0	0	112.9	I41	P39-I41 PolarHBondContact O-N 3.16Å
40	Q	34.4	Very low	34.8	Very low	195 Å²	195	145.8 Å²	145.8	91%	0.911	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-69.9	120.2	166.3	-71.8	177.4	-29.3	0	0	109.9
41	I	37.3	Very low	35.3	Very low	152 Å²	152	139.8 Å²	139.8	78%	0.779	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-96.6	126.1	164.6	-58.5	176.1	0	0	0	106.9	P39 L43	P39-I41 PolarHBondContact O-N 3.16Å; I41-L43 PolarHBondContact O-N 3.24Å
42	P	38	Very low	36.2	Very low	116 Å²	116	140.3 Å²	140.3	75%	0.753	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-70.5	127.5	-179.4	28	-33.3	0	0	0	110.9	Q44	P42-Q44 PolarHBondContact O-N 2.93Å
43	L	35.9	Very low	37.3	Very low	173 Å²	173	140.6 Å²	140.6	91%	0.906	81%	0.814	S	S	*	*			trans	-69.4	110.9	171.2	-74.3	163.2	0	0	0	109.6	I41 P45	I41-L43 PolarHBondContact O-N 3.24Å; L43-P45 WeakPolarHBondContact O-CD 3.5Å
44	Q	36.6	Very low	39	Very low	181 Å²	181	143.2 Å²	143.2	85%	0.846	81%	0.808	S	S	*	*			trans	-71.3	125.1	167	-77.1	-175.8	-33.3	0	0	109.9	P42 D46	P42-Q44 PolarHBondContact O-N 2.93Å; Q44-D46 PolarHBondContact O-N 3.42Å; Q44-D46 VanDerWaalsContact O-N 3.16Å
45	P	44.8	Very low	41	Very low	125 Å²	125	141.6 Å²	141.6	81%	0.812	78%	0.784	S	S	*	*			trans	-89.6	70	-179	36.4	-34.5	0	0	0	111.3	L43	L43-P45 WeakPolarHBondContact O-CD 3.5Å
46	D	42	Very low	43.6	Very low	133 Å²	133	139 Å²	139	71%	0.711	76%	0.759	S	S	*	*			trans	-138.2	41.2	177.9	-108.8	-39.7	0	0	0	113.5	Q44 R48	Q44-D46 PolarHBondContact O-N 3.42Å; Q44-D46 VanDerWaalsContact O-N 3.16Å; D46-R48 PolarHBondContact O-N 3.02Å
47	C	33.6	Very low	46.5	Very low	111 Å²	111	139.1 Å²	139.1	75%	0.75	75%	0.749	S	S	*	*			trans	-71	83.2	159.9	-83.2	0	0	0	0	109.9	W49	C47-W49 VanDerWaalsContact C-N 3.34Å; C47-W49 VanDerWaalsContact O-CD1 3.32Å; C47-W49 PolarHBondContact O-N 3.39Å
48	R	36.7	Very low	49.1	Very low	212 Å²	212	140.5 Å²	140.5	80%	0.8	74%	0.74	S	S	*	*			trans	-61.4	98.3	160.5	-75.4	-173.6	177.9	-167.6	-1	108.8	D46 Y50	D46-R48 PolarHBondContact O-N 3.02Å; R48-Y50 PolarHBondContact O-N 2.95Å; R48-Y50 VanDerWaalsContact O-N 3.08Å
49	W	33.5	Very low	52	Low	238 Å²	238	139.9 Å²	139.9	90%	0.902	72%	0.724	S	S	*	*			trans	-58.2	113.3	166.1	-64.3	90.2	0	0	0	108.3	C47 S51	C47-W49 VanDerWaalsContact C-N 3.34Å; C47-W49 VanDerWaalsContact O-CD1 3.32Å; C47-W49 PolarHBondContact O-N 3.39Å; W49-S51 PolarHBondContact O-N 3.08Å
50	Y	36.2	Very low	54.7	Low	220 Å²	220	141.6 Å²	141.6	86%	0.863	72%	0.715	S	S	*	*			trans	-61	105.5	167.2	-83.3	-94	0	0	0	107.5	R48 V52	R48-Y50 PolarHBondContact O-N 2.95Å; R48-Y50 VanDerWaalsContact O-N 3.08Å; Y50-V52 PolarHBondContact O-N 2.76Å
51	S	40.7	Very low	57.6	Low	114 Å²	114	135.8 Å²	135.8	80%	0.797	69%	0.69	S	S	*	*			trans	-72.4	75.5	170.2	61.9	0	0	0	0	108.7	W49 S53	W49-S51 PolarHBondContact O-N 3.08Å; S51-S53 PolarHBondContact O-N 2.91Å
52	V	45.6	Very low	60.4	Low	92 Å²	92	132 Å²	132	56%	0.558	67%	0.668	S	S	*	*			trans	-65.5	107.4	163.8	-165.8	0	0	0	0	105.7	Y50 H54	Y50-V52 PolarHBondContact O-N 2.76Å; V52-H54 VanDerWaalsContact CG1-CE1 3.42Å; V52-H54 WeakPolarHBondContact CG1-CE1 3.22Å; V52-H54 WeakPolarHBondContact CG1-NE2 3.32Å; V52-H54 PolarHBondContact O-N 2.82Å
53	S	52.1	Low	63	Low	114 Å²	114	131.4 Å²	131.4	80%	0.797	66%	0.656	S	S	*	*			trans	-72	65.3	177.4	49.4	0	0	0	0	110	S51 L55	S51-S53 PolarHBondContact O-N 2.91Å; S53-L55 PolarHBondContact O-N 2.92Å
54	H	66.6	Low	65.7	Low	158 Å²	158	126.4 Å²	126.4	73%	0.731	63%	0.627	S	S	*	*			trans	-63.4	100.4	169.5	-68.4	-61.6	0	0	0	108.2	V52 S56	V52-H54 VanDerWaalsContact CG1-CE1 3.42Å; V52-H54 WeakPolarHBondContact CG1-CE1 3.22Å; V52-H54 WeakPolarHBondContact CG1-NE2 3.32Å; V52-H54 PolarHBondContact O-N 2.82Å; H54-S56 PolarHBondContact O-N 2.78Å
55	L	73.3	Confident	68.5	Low	74 Å²	74	122 Å²	122	39%	0.387	60%	0.602	S	S	.	*			trans	-44.8	131.1	165.4	-70.1	163.6	0	0	0	108.9	S53 E59 R60 Q63	S53-L55 PolarHBondContact O-N 2.92Å; L55-E59 HydrophobicContact CB-CB 4.25Å; L55-E59 HydrophobicContact CD2-CB 4.11Å; L55-R60 HydrophobicContact CB-CG 3.75Å; L55-R60 WeakPolarHBondContact O-CD 3.49Å; L55-Q63 VanDerWaalsContact CD1-OE1 3.28Å
56	S	90	Very high	70.9	Confident	53 Å²	53	122.6 Å²	122.6	37%	0.371	59%	0.592	S	S	.	*			trans	-56.1	153.2	175.8	66.7	0	0	0	0	110.1	H54 K58 E59 R60	H54-S56 PolarHBondContact O-N 2.78Å; S56-K58 PolarHBondContact O-N 3.14Å; S56-K58 VanDerWaalsContact O-N 3.09Å; S56-E59 WeakPolarHBondContact CB-OE2 3.43Å; S56-E59 PolarHBondContact N-OE2 3.3Å; S56-E59 PolarHBondContact O-N 2.61Å; S56-E59 VanDerWaalsContact OG-CD 3.29Å; S56-E59 VanDerWaalsContact OG-CG 3.32Å; S56-E59 WeakPolarHBondContact OG-CG 3.33Å; S56-E59 PolarHBondContact OG-N 2.8Å; S56-E59 PolarHBondContact OG-OE2 2.96Å; S56-R60 WeakPolarHBondContact O-CG 3.31Å; S56-R60 PolarHBondContact O-N 2.75Å
57	V	92	Very high	73.4	Confident	103 Å²	103	118.4 Å²	118.4	62%	0.624	58%	0.576	S	S	*	*	H	α-helix	trans	-54.1	-34.5	177.1	177.8	0	0	0	0	110.9	R60 I61	V57-R60 PolarHBondContact O-N 3.2Å; V57-I61 HydrophobicContact CG1-CD1 3.95Å; V57-I61 WeakPolarHBondContact O-CD1 3.42Å; V57-I61 VanDerWaalsContact O-CG1 3.25Å; V57-I61 WeakPolarHBondContact O-CG1 3.37Å; V57-I61 PolarHBondContact O-N 3Å
58	K	93.7	Very high	76.3	Confident	155 Å²	155	113.2 Å²	113.2	67%	0.674	54%	0.541	S	S	*	.	H	α-helix	trans	-62	-51.1	173.8	-172.8	179.9	179.9	-177.2	0	112.4	S56 R60 I61 E62	S56-K58 PolarHBondContact O-N 3.14Å; S56-K58 VanDerWaalsContact O-N 3.09Å; K58-R60 VanDerWaalsContact C-N 3.31Å; K58-R60 PolarHBondContact O-N 2.97Å; K58-I61 PolarHBondContact O-N 3.19Å; K58-E62 PolarHBondContact O-N 3.41Å
59	E	94.1	Very high	79.1	Confident	97 Å²	97	107.3 Å²	107.3	45%	0.453	53%	0.525	S	S	.	.	H	α-helix	trans	-62.5	-38.5	178.6	-70.9	159.1	128.5	0	0	112	L55 S56 I61 E62 Q63	L55-E59 HydrophobicContact CB-CB 4.25Å; L55-E59 HydrophobicContact CD2-CB 4.11Å; S56-E59 WeakPolarHBondContact CB-OE2 3.43Å; S56-E59 PolarHBondContact N-OE2 3.3Å; S56-E59 PolarHBondContact O-N 2.61Å; S56-E59 VanDerWaalsContact OG-CD 3.29Å; S56-E59 VanDerWaalsContact OG-CG 3.32Å; S56-E59 WeakPolarHBondContact OG-CG 3.33Å; S56-E59 PolarHBondContact OG-N 2.8Å; S56-E59 PolarHBondContact OG-OE2 2.96Å; E59-I61 PolarHBondContact O-N 3.09Å; E59-E62 PolarHBondContact O-N 2.98Å; E59-Q63 WeakPolarHBondContact O-CB 3.4Å; E59-Q63 WeakPolarHBondContact O-CG 3.43Å; E59-Q63 PolarHBondContact O-N 3.33Å
60	R	92.5	Very high	82	Confident	158 Å²	158	100 Å²	100	60%	0.596	50%	0.503	S	S	*	.	H	α-helix	trans	-62.5	-40.4	174.4	-66.9	174.6	62.7	-160.1	-1.4	112.2	L55 S56 V57 K58 K64	L55-R60 HydrophobicContact CB-CG 3.75Å; L55-R60 WeakPolarHBondContact O-CD 3.49Å; S56-R60 WeakPolarHBondContact O-CG 3.31Å; S56-R60 PolarHBondContact O-N 2.75Å; V57-R60 PolarHBondContact O-N 3.2Å; K58-R60 VanDerWaalsContact C-N 3.31Å; K58-R60 PolarHBondContact O-N 2.97Å; R60-K64 WeakPolarHBondContact O-CB 3.48Å; R60-K64 PolarHBondContact O-N 2.93Å
61	I	94.4	Very high	84.9	Confident	72 Å²	72	90.1 Å²	90.1	37%	0.369	47%	0.467	S	S	.	.	H	α-helix	trans	-64.5	-46.7	174.6	-71	163.5	0	0	0	110.7	V57 K58 E59 Q63 K64 R65 F107	V57-I61 HydrophobicContact CG1-CD1 3.95Å; V57-I61 WeakPolarHBondContact O-CD1 3.42Å; V57-I61 VanDerWaalsContact O-CG1 3.25Å; V57-I61 WeakPolarHBondContact O-CG1 3.37Å; V57-I61 PolarHBondContact O-N 3Å; K58-I61 PolarHBondContact O-N 3.19Å; E59-I61 PolarHBondContact O-N 3.09Å; I61-Q63 PolarHBondContact O-N 3.5Å; I61-K64 PolarHBondContact O-N 3.28Å; I61-R65 WeakPolarHBondContact O-CB 3.42Å; I61-R65 PolarHBondContact O-N 2.97Å; I61-F107 HydrophobicContact CG2-CZ 4.29Å
62	E	95.3	Very high	87.5	Confident	72 Å²	72	85.3 Å²	85.3	34%	0.336	44%	0.436	S	S	.	.	H	α-helix	trans	-66	-36.8	179.1	-64.7	-50.9	146	0	0	112.6	K58 E59 R65 K66	K58-E62 PolarHBondContact O-N 3.41Å; E59-E62 PolarHBondContact O-N 2.98Å; E62-R65 PolarHBondContact O-N 3.49Å; E62-R65 IonicContact OE1-CZ 3.84Å; E62-R65 IonicContact OE1-NH1 2.75Å; E62-R65 PolarHBondContact OE1-NH1 2.84Å; E62-R65 IonicContact OE2-CZ 2.98Å; E62-R65 IonicContact OE2-NH1 2.88Å; E62-R65 PolarHBondContact OE2-NH1 3.48Å; E62-K66 VanDerWaalsContact O-CG 3.31Å; E62-K66 WeakPolarHBondContact O-CG 3.5Å; E62-K66 PolarHBondContact O-N 2.87Å
63	Q	93.3	Very high	89.9	Confident	104 Å²	104	82 Å²	82	49%	0.486	42%	0.42	S	S	.	.	H	α-helix	trans	-63.9	-47.6	172.1	-75.4	177.4	-1.5	0	0	111.7	L55 E59 I61 R65 K66 A67	L55-Q63 VanDerWaalsContact CD1-OE1 3.28Å; E59-Q63 WeakPolarHBondContact O-CB 3.4Å; E59-Q63 WeakPolarHBondContact O-CG 3.43Å; E59-Q63 PolarHBondContact O-N 3.33Å; I61-Q63 PolarHBondContact O-N 3.5Å; Q63-R65 VanDerWaalsContact C-N 3.29Å; Q63-R65 PolarHBondContact O-N 3.48Å; Q63-K66 PolarHBondContact O-N 3.06Å; Q63-A67 PolarHBondContact O-N 2.91Å
64	K	93.2	Very high	92	Very high	68 Å²	68	81.8 Å²	81.8	30%	0.296	41%	0.407	S	S	.	.	H	α-helix	trans	-64.9	-33.7	178.5	-160.8	170.6	-171.5	167.9	0	112	R60 I61 A67 A68 F107 E109 P125	R60-K64 WeakPolarHBondContact O-CB 3.48Å; R60-K64 PolarHBondContact O-N 2.93Å; I61-K64 PolarHBondContact O-N 3.28Å; K64-A67 PolarHBondContact O-N 3.1Å; K64-A68 WeakPolarHBondContact O-CB 3.23Å; K64-A68 PolarHBondContact O-N 3.37Å; K64-F107 HydrophobicContact CB-CD1 4.3Å; K64-F107 HydrophobicContact CB-CE1 4.2Å; K64-F107 HydrophobicContact CD-CB 4.5Å; K64-F107 HydrophobicContact CD-CD1 4.09Å; K64-F107 HydrophobicContact CG-CD1 3.87Å; K64-F107 HydrophobicContact CG-CE1 4.25Å; K64-E109 WeakPolarHBondContact CE-OE1 3.35Å; K64-E109 IonicContact NZ-OE1 2.7Å; K64-E109 PolarHBondContact NZ-OE1 3.19Å; K64-E109 IonicContact NZ-OE2 3.82Å; K64-E109 PolarHBondContact NZ-OE2 3.42Å; K64-P125 HydrophobicContact CD-CG 4.41Å; K64-P125 HydrophobicContact CG-CB 4.04Å; K64-P125 HydrophobicContact CG-CG 3.74Å
65	R	95.7	Very high	93.5	Very high	89 Å²	89	82.9 Å²	82.9	34%	0.336	41%	0.409	S	S	.	.	H	α-helix	trans	-65.2	-47.1	172.1	-176.6	179.6	-65.4	135.8	-2.5	111.7	I61 E62 Q63 A67 A68 L69 M106 F107	I61-R65 WeakPolarHBondContact O-CB 3.42Å; I61-R65 PolarHBondContact O-N 2.97Å; E62-R65 PolarHBondContact O-N 3.49Å; E62-R65 IonicContact OE1-CZ 3.84Å; E62-R65 IonicContact OE1-NH1 2.75Å; E62-R65 PolarHBondContact OE1-NH1 2.84Å; E62-R65 IonicContact OE2-CZ 2.98Å; E62-R65 IonicContact OE2-NH1 2.88Å; E62-R65 PolarHBondContact OE2-NH1 3.48Å; Q63-R65 VanDerWaalsContact C-N 3.29Å; Q63-R65 PolarHBondContact O-N 3.48Å; R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 3.42Å; R65-A68 PolarHBondContact O-N 2.95Å; R65-L69 HydrophobicContact CG-CD1 4.13Å; R65-L69 WeakPolarHBondContact O-CG 3.44Å; R65-L69 PolarHBondContact O-N 3.08Å; R65-M106 HydrophobicContact CB-SD 4.42Å; R65-M106 HydrophobicContact CG-CE 4.48Å; R65-M106 HydrophobicContact CG-SD 3.83Å; R65-F107 HydrophobicContact CB-CE1 4.14Å; R65-F107 HydrophobicContact CB-CZ 4.29Å
66	K	95.3	Very high	94.7	Very high	138 Å²	138	84.9 Å²	84.9	60%	0.6	41%	0.412	S	S	*	.	H	α-helix	trans	-59.4	-40.2	175.7	-73.9	175.1	-178.8	-173.9	0	111.9	E62 Q63 L69 I70	E62-K66 VanDerWaalsContact O-CG 3.31Å; E62-K66 WeakPolarHBondContact O-CG 3.5Å; E62-K66 PolarHBondContact O-N 2.87Å; Q63-K66 PolarHBondContact O-N 3.06Å; K66-L69 PolarHBondContact O-N 3.19Å; K66-I70 WeakPolarHBondContact O-CG1 3.35Å; K66-I70 PolarHBondContact O-N 3.26Å
67	A	93.3	Very high	95.1	Very high	44 Å²	44	83.5 Å²	83.5	36%	0.364	40%	0.4	S	S	.	.	H	α-helix	trans	-62.5	-46.8	173	0	0	0	0	0	112.3	Q63 K64 R65 L69 I70 G71 P125	Q63-A67 PolarHBondContact O-N 2.91Å; K64-A67 PolarHBondContact O-N 3.1Å; R65-A67 VanDerWaalsContact C-N 3.29Å; R65-A67 PolarHBondContact O-N 3.42Å; A67-L69 PolarHBondContact O-N 2.91Å; A67-I70 PolarHBondContact O-N 2.96Å; A67-G71 PolarHBondContact O-N 2.98Å; A67-G71 VanDerWaalsContact O-N 3.1Å; A67-P125 HydrophobicContact CB-CG 4.25Å
68	A	94.7	Very high	95.4	Very high	3 Å²	3	82.5 Å²	82.5	3%	0.025	39%	0.391	C	S	.	.	H	α-helix	trans	-61.6	-28.3	177.8	0	0	0	0	0	114.3	K64 R65 R89 M106 P125	K64-A68 WeakPolarHBondContact O-CB 3.23Å; K64-A68 PolarHBondContact O-N 3.37Å; R65-A68 PolarHBondContact O-N 2.95Å; A68-R89 PolarHBondContact O-NE 3.31Å; A68-R89 PolarHBondContact O-NH2 2.94Å; A68-M106 HydrophobicContact CB-CG 3.58Å; A68-M106 HydrophobicContact CB-SD 4.25Å; A68-P125 HydrophobicContact CB-CB 3.91Å
69	L	95.3	Very high	95.6	Very high	87 Å²	87	77.2 Å²	77.2	46%	0.455	38%	0.376	S	S	.	.	H	α-helix	trans	-80.2	-31.7	177	-69.2	171.8	0	0	0	112.6	R65 K66 A67	R65-L69 HydrophobicContact CG-CD1 4.13Å; R65-L69 WeakPolarHBondContact O-CG 3.44Å; R65-L69 PolarHBondContact O-N 3.08Å; K66-L69 PolarHBondContact O-N 3.19Å; A67-L69 PolarHBondContact O-N 2.91Å
70	I	95.5	Very high	95.8	Very high	85 Å²	85	72.9 Å²	72.9	44%	0.436	36%	0.356	S	S	.	.	H	α-helix	trans	-83.3	-17.4	179.7	-73.2	171.1	0	0	0	112.5	K66 A67 G72 G73	K66-I70 WeakPolarHBondContact O-CG1 3.35Å; K66-I70 PolarHBondContact O-N 3.26Å; A67-I70 PolarHBondContact O-N 2.96Å; I70-G72 PolarHBondContact O-N 2.99Å; I70-G73 PolarHBondContact O-N 3.15Å
71	G	95.7	Very high	96.1	Very high	12 Å²	12	68.8 Å²	68.8	12%	0.124	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	-124	176.3	0	0	0	0	0	111.9	A67 G73 F124	A67-G71 PolarHBondContact O-N 2.98Å; A67-G71 VanDerWaalsContact O-N 3.1Å; G71-G73 PolarHBondContact O-N 3.4Å; G71-F124 WeakPolarHBondContact O-CD1 3.41Å
72	G	95.3	Very high	96.2	Very high	13 Å²	13	74.4 Å²	74.4	13%	0.134	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	3	178.6	0	0	0	0	0	116.2	I70 R76 T149	I70-G72 PolarHBondContact O-N 2.99Å; G72-R76 VanDerWaalsContact O-CD 3.29Å; G72-R76 WeakPolarHBondContact O-CD 3.48Å; G72-T149 WeakPolarHBondContact CA-O 3.43Å; G72-T149 WeakPolarHBondContact CA-OG1 3.36Å; G72-T149 PolarHBondContact N-OG1 2.62Å
73	G	96.5	Very high	96.3	Very high	22 Å²	22	78 Å²	78	23%	0.227	38%	0.376	C	S	.	.			trans	97.4	150.5	179.3	0	0	0	0	0	114	I70 G71 K75 R76 I77	I70-G73 PolarHBondContact O-N 3.15Å; G71-G73 PolarHBondContact O-N 3.4Å; G73-K75 VanDerWaalsContact C-N 3.29Å; G73-K75 PolarHBondContact O-N 2.7Å; G73-K75 VanDerWaalsContact O-N 3.14Å; G73-R76 WeakPolarHBondContact O-CA 3.49Å; G73-R76 WeakPolarHBondContact O-CB 3.42Å; G73-R76 PolarHBondContact O-N 3.49Å; G73-I77 PolarHBondContact O-N 3.01Å
74	Q	97.3	Very high	96.5	Very high	110 Å²	110	75.7 Å²	75.7	51%	0.514	38%	0.38	S	S	.	.	H	α-helix	trans	-49.1	-45.8	-174.6	-169.8	61.9	46.9	0	0	113.4	R76 I77 D78	Q74-R76 PolarHBondContact O-N 3.38Å; Q74-R76 VanDerWaalsContact O-N 3.08Å; Q74-I77 CarbonylContact O-C 3.58Å; Q74-I77 WeakPolarHBondContact O-CA 3.29Å; Q74-I77 WeakPolarHBondContact O-CB 3.46Å; Q74-I77 PolarHBondContact O-N 3.23Å; Q74-D78 PolarHBondContact NE2-OD1 3.23Å; Q74-D78 PolarHBondContact O-N 2.85Å
75	K	97.7	Very high	96.7	Very high	181 Å²	181	72.9 Å²	72.9	79%	0.787	37%	0.367	S	S	*	.	H	α-helix	trans	-56.2	-29.4	178.1	-176.8	177.5	178.3	-179.3	0	113.8	G73 A79	G73-K75 VanDerWaalsContact C-N 3.29Å; G73-K75 PolarHBondContact O-N 2.7Å; G73-K75 VanDerWaalsContact O-N 3.14Å; K75-A79 WeakPolarHBondContact O-CB 3.48Å; K75-A79 PolarHBondContact O-N 3.18Å
76	R	97.9	Very high	96.9	Very high	117 Å²	117	70.4 Å²	70.4	44%	0.442	36%	0.361	S	S	.	.	H	α-helix	trans	-84.3	-32.6	175.9	-63.3	-168	-175.9	-179.9	2.5	112	G72 G73 Q74 A79 Q80 T149	G72-R76 VanDerWaalsContact O-CD 3.29Å; G72-R76 WeakPolarHBondContact O-CD 3.48Å; G73-R76 WeakPolarHBondContact O-CA 3.49Å; G73-R76 WeakPolarHBondContact O-CB 3.42Å; G73-R76 PolarHBondContact O-N 3.49Å; Q74-R76 PolarHBondContact O-N 3.38Å; Q74-R76 VanDerWaalsContact O-N 3.08Å; R76-A79 PolarHBondContact O-N 3.39Å; R76-Q80 PolarHBondContact O-N 3.39Å; R76-T149 HydrophobicContact CB-CG2 4.01Å; R76-T149 WeakPolarHBondContact CD-O 3.33Å; R76-T149 PolarHBondContact NH1-O 3.05Å
77	I	98.4	Very high	97	Very high	23 Å²	23	64.6 Å²	64.6	12%	0.118	34%	0.337	C	S	.	.	H	α-helix	trans	-61.1	-52.9	169.7	-64.6	172.4	0	0	0	109.6	G73 Q74 A79 Q80 H81 T87 T149	G73-I77 PolarHBondContact O-N 3.01Å; Q74-I77 CarbonylContact O-C 3.58Å; Q74-I77 WeakPolarHBondContact O-CA 3.29Å; Q74-I77 WeakPolarHBondContact O-CB 3.46Å; Q74-I77 PolarHBondContact O-N 3.23Å; I77-A79 PolarHBondContact O-N 3.01Å; I77-A79 VanDerWaalsContact O-N 3.15Å; I77-Q80 WeakPolarHBondContact O-CA 3.25Å; I77-Q80 WeakPolarHBondContact O-CB 3.44Å; I77-Q80 PolarHBondContact O-N 2.86Å; I77-H81 VanDerWaalsContact CG2-CE1 3.43Å; I77-H81 WeakPolarHBondContact CG2-CE1 3.38Å; I77-H81 PolarHBondContact O-N 2.97Å; I77-T87 HydrophobicContact CB-CG2 4.34Å; I77-T87 HydrophobicContact CG1-CG2 4.09Å; I77-T87 HydrophobicContact CG2-CG2 3.78Å; I77-T149 HydrophobicContact CG1-CG2 4.28Å
78	D	98.3	Very high	97.3	Very high	83 Å²	83	62.6 Å²	62.6	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-56.2	-36.6	177.8	-51.4	-30.9	0	0	0	111.8	Q74 K82	Q74-D78 PolarHBondContact NE2-OD1 3.23Å; Q74-D78 PolarHBondContact O-N 2.85Å; D78-K82 VanDerWaalsContact O-CB 3.23Å; D78-K82 WeakPolarHBondContact O-CB 3.33Å; D78-K82 PolarHBondContact O-N 2.76Å
79	A	98.1	Very high	97.5	Very high	44 Å²	44	64.6 Å²	64.6	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-74.5	-29	177.5	0	0	0	0	0	113.8	K75 R76 I77 R83	K75-A79 WeakPolarHBondContact O-CB 3.48Å; K75-A79 PolarHBondContact O-N 3.18Å; R76-A79 PolarHBondContact O-N 3.39Å; I77-A79 PolarHBondContact O-N 3.01Å; I77-A79 VanDerWaalsContact O-N 3.15Å; A79-R83 WeakPolarHBondContact O-CD 3.38Å; A79-R83 WeakPolarHBondContact O-CG 3.33Å
80	Q	98.1	Very high	97.6	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.023	32%	0.32	C	S	.	.	H	α-helix	trans	-71.9	-48.9	171.5	176.7	82.3	-16.8	0	0	109.7	R76 I77 K82 R83 K85 L86 D182	R76-Q80 PolarHBondContact O-N 3.39Å; I77-Q80 WeakPolarHBondContact O-CA 3.25Å; I77-Q80 WeakPolarHBondContact O-CB 3.44Å; I77-Q80 PolarHBondContact O-N 2.86Å; Q80-K82 VanDerWaalsContact C-N 3.33Å; Q80-K82 PolarHBondContact O-N 2.87Å; Q80-R83 WeakPolarHBondContact O-CA 3.29Å; Q80-R83 WeakPolarHBondContact O-CB 3.43Å; Q80-R83 PolarHBondContact O-N 3.38Å; Q80-K85 CarbonylContact C-O 3.44Å; Q80-K85 HydrophobicContact CG-CB 3.95Å; Q80-K85 PolarHBondContact O-N 3.18Å; Q80-L86 WeakPolarHBondContact CG-O 3.44Å; Q80-L86 PolarHBondContact NE2-O 3.1Å; Q80-D182 PolarHBondContact NE2-OD2 3.32Å
81	H	98.4	Very high	97.8	Very high	72 Å²	72	59.5 Å²	59.5	33%	0.333	30%	0.299	S	S	.	.	H	α-helix	trans	-59.6	-40	175.8	-66.8	156.2	0	0	0	112.5	I77 R83 G84 K85 E90	I77-H81 VanDerWaalsContact CG2-CE1 3.43Å; I77-H81 WeakPolarHBondContact CG2-CE1 3.38Å; I77-H81 PolarHBondContact O-N 2.97Å; H81-R83 PolarHBondContact O-N 3.43Å; H81-R83 VanDerWaalsContact O-N 3.1Å; H81-G84 PolarHBondContact O-N 3.2Å; H81-K85 WeakPolarHBondContact CA-O 3.3Å; H81-K85 PolarHBondContact CD2-O 2.67Å; H81-E90 IonicContact CD2-OE2 3.6Å; H81-E90 IonicContact CE1-OE1 2.69Å; H81-E90 PolarHBondContact CE1-OE1 3.46Å; H81-E90 VanDerWaalsContact CE1-OE1 3.28Å; H81-E90 IonicContact CE1-OE2 3.76Å; H81-E90 VanDerWaalsContact NE2-CD 3.3Å; H81-E90 IonicContact NE2-OE1 2.8Å; H81-E90 PolarHBondContact NE2-OE1 3.37Å; H81-E90 IonicContact NE2-OE2 3.67Å; H81-E90 PolarHBondContact NE2-OE2 2.81Å
82	K	98.1	Very high	97.9	Very high	191 Å²	191	59 Å²	59	83%	0.83	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-17.7	174.8	-175	170.8	-179.6	178.9	0	113.8	D78 Q80	D78-K82 VanDerWaalsContact O-CB 3.23Å; D78-K82 WeakPolarHBondContact O-CB 3.33Å; D78-K82 PolarHBondContact O-N 2.76Å; Q80-K82 VanDerWaalsContact C-N 3.33Å; Q80-K82 PolarHBondContact O-N 2.87Å
83	R	96.4	Very high	98.1	Very high	147 Å²	147	65.7 Å²	65.7	56%	0.555	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	7.1	173.6	-63.8	166.1	-179.9	-170.9	-3.8	113.1	A79 Q80 H81 K85	A79-R83 WeakPolarHBondContact O-CD 3.38Å; A79-R83 WeakPolarHBondContact O-CG 3.33Å; Q80-R83 WeakPolarHBondContact O-CA 3.29Å; Q80-R83 WeakPolarHBondContact O-CB 3.43Å; Q80-R83 PolarHBondContact O-N 3.38Å; H81-R83 PolarHBondContact O-N 3.43Å; H81-R83 VanDerWaalsContact O-N 3.1Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 HydrophobicContact CB-CD 4.25Å; R83-K85 HydrophobicContact CB-CG 4.38Å; R83-K85 PolarHBondContact O-N 3.27Å
84	G	97.1	Very high	98.1	Very high	55 Å²	55	67.4 Å²	67.4	57%	0.567	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	12.1	-176.3	0	0	0	0	0	114.4	H81	H81-G84 PolarHBondContact O-N 3.2Å
85	K	98.5	Very high	98.2	Very high	9 Å²	9	62.1 Å²	62.1	4%	0.039	30%	0.301	C	S	.	.			trans	-105.8	141.5	-176.1	-62.8	172	69.9	-151.5	0	110.6	Q80 H81 R83 D182 M219 T242	Q80-K85 CarbonylContact C-O 3.44Å; Q80-K85 HydrophobicContact CG-CB 3.95Å; Q80-K85 PolarHBondContact O-N 3.18Å; H81-K85 WeakPolarHBondContact CA-O 3.3Å; H81-K85 PolarHBondContact CD2-O 2.67Å; R83-K85 VanDerWaalsContact C-N 3.27Å; R83-K85 HydrophobicContact CB-CD 4.25Å; R83-K85 HydrophobicContact CB-CG 4.38Å; R83-K85 PolarHBondContact O-N 3.27Å; K85-D182 VanDerWaalsContact CE-OD2 3.27Å; K85-D182 WeakPolarHBondContact CE-OD2 3.44Å; K85-D182 IonicContact NZ-OD1 3.22Å; K85-D182 PolarHBondContact NZ-OD1 2.91Å; K85-D182 IonicContact NZ-OD2 3.91Å; K85-D182 PolarHBondContact NZ-OD2 3.16Å; K85-M219 WeakPolarHBondContact CE-O 3.45Å; K85-T242 HydrophobicContact CG-CG2 4.14Å
86	L	98.6	Very high	98.3	Very high	37 Å²	37	53.8 Å²	53.8	19%	0.194	27%	0.265	C	S	.	.			trans	-77.7	163.3	168.6	-63.4	179.8	0	0	0	111.2	Q80 E90 R91 L94 D286 V287	Q80-L86 WeakPolarHBondContact CG-O 3.44Å; Q80-L86 PolarHBondContact NE2-O 3.1Å; L86-E90 HydrophobicContact CB-CB 4.17Å; L86-E90 HydrophobicContact CD2-CB 4.44Å; L86-R91 HydrophobicContact CB-CG 3.67Å; L86-R91 HydrophobicContact CD1-CG 4.3Å; L86-R91 PolarHBondContact O-NE 2.97Å; L86-R91 PolarHBondContact O-NH2 2.82Å; L86-L94 HydrophobicContact CD1-CD2 4.2Å; L86-D286 HydrophobicContact CB-CB 4.41Å; L86-D286 WeakPolarHBondContact CB-OD2 3.39Å; L86-D286 HydrophobicContact CD1-CB 3.94Å; L86-D286 HydrophobicContact CG-CB 3.93Å; L86-D286 PolarHBondContact N-OD2 2.98Å; L86-V287 HydrophobicContact CD1-CG2 4.22Å
87	T	98.7	Very high	98.3	Very high	16 Å²	16	49.6 Å²	49.6	10%	0.098	25%	0.251	C	S	.	.			trans	-78.2	164.5	168.4	64.1	0	0	0	0	111.5	I77 R89 E90 R91	I77-T87 HydrophobicContact CB-CG2 4.34Å; I77-T87 HydrophobicContact CG1-CG2 4.09Å; I77-T87 HydrophobicContact CG2-CG2 3.78Å; T87-R89 PolarHBondContact O-N 3.41Å; T87-E90 VanDerWaalsContact CB-OE2 3.29Å; T87-E90 WeakPolarHBondContact CB-OE2 3.5Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.46Å; T87-E90 PolarHBondContact N-OE2 3.13Å; T87-E90 PolarHBondContact O-N 2.9Å; T87-E90 VanDerWaalsContact OG1-CG 3.3Å; T87-E90 WeakPolarHBondContact OG1-CG 3.26Å; T87-E90 PolarHBondContact OG1-N 2.87Å; T87-E90 PolarHBondContact OG1-OE2 3.43Å; T87-R91 WeakPolarHBondContact O-CD 3.04Å; T87-R91 WeakPolarHBondContact O-CG 3.39Å; T87-R91 PolarHBondContact O-N 3.08Å; T87-R91 VanDerWaalsContact O-N 3.08Å
88	A	98.7	Very high	98.3	Very high	2 Å²	2	54.3 Å²	54.3	2%	0.017	28%	0.283	C	S	.	.	H	α-helix	trans	-56.2	-36.3	177.2	0	0	0	0	0	113.5	V92 V130 S145 D147	A88-V92 VanDerWaalsContact O-CG2 3.32Å; A88-V92 WeakPolarHBondContact O-CG2 3.41Å; A88-V92 PolarHBondContact O-N 3.17Å; A88-V130 HydrophobicContact CB-CG2 4.1Å; A88-S145 VanDerWaalsContact CA-OG 3.31Å; A88-S145 WeakPolarHBondContact CA-OG 3.49Å; A88-S145 WeakPolarHBondContact CB-OG 3.46Å; A88-S145 PolarHBondContact O-OG 2.88Å; A88-D147 HydrophobicContact CB-CB 3.93Å
89	R	98.3	Very high	98.2	Very high	46 Å²	46	60.3 Å²	60.3	17%	0.174	31%	0.309	C	S	.	.	H	α-helix	trans	-77	-44.7	-177.1	-65.9	-177	174.3	-73.7	-1.2	112	A68 T87 R91 V92 E93 E103 V130	A68-R89 PolarHBondContact O-NE 3.31Å; A68-R89 PolarHBondContact O-NH2 2.94Å; T87-R89 PolarHBondContact O-N 3.41Å; R89-R91 VanDerWaalsContact C-N 3.27Å; R89-R91 PolarHBondContact O-N 2.77Å; R89-V92 PolarHBondContact O-N 2.84Å; R89-E93 WeakPolarHBondContact O-CB 3.39Å; R89-E93 PolarHBondContact O-N 2.86Å; R89-E103 IonicContact CZ-OE1 3.94Å; R89-E103 IonicContact CZ-OE2 2.74Å; R89-E103 IonicContact NH1-OE1 2.93Å; R89-E103 PolarHBondContact NH1-OE1 3.13Å; R89-E103 IonicContact NH1-OE2 3.28Å; R89-E103 PolarHBondContact NH1-OE2 2.63Å; R89-E103 IonicContact NH2-OE1 3.69Å; R89-E103 PolarHBondContact NH2-OE1 2.9Å; R89-E103 IonicContact NH2-OE2 4Å; R89-E103 PolarHBondContact NH2-OE2 2.9Å; R89-V130 HydrophobicContact CG-CG2 3.87Å
90	E	98.6	Very high	98.2	Very high	64 Å²	64	59.4 Å²	59.4	30%	0.299	30%	0.299	S	S	.	.	H	α-helix	trans	-59.1	-38.6	174	-69.3	161.4	144.8	0	0	111.8	H81 L86 T87 E93 L94	H81-E90 IonicContact CD2-OE2 3.6Å; H81-E90 IonicContact CE1-OE1 2.69Å; H81-E90 PolarHBondContact CE1-OE1 3.46Å; H81-E90 VanDerWaalsContact CE1-OE1 3.28Å; H81-E90 IonicContact CE1-OE2 3.76Å; H81-E90 VanDerWaalsContact NE2-CD 3.3Å; H81-E90 IonicContact NE2-OE1 2.8Å; H81-E90 PolarHBondContact NE2-OE1 3.37Å; H81-E90 IonicContact NE2-OE2 3.67Å; H81-E90 PolarHBondContact NE2-OE2 2.81Å; L86-E90 HydrophobicContact CB-CB 4.17Å; L86-E90 HydrophobicContact CD2-CB 4.44Å; T87-E90 VanDerWaalsContact CB-OE2 3.29Å; T87-E90 WeakPolarHBondContact CB-OE2 3.5Å; T87-E90 WeakPolarHBondContact CG2-OE2 3.46Å; T87-E90 PolarHBondContact N-OE2 3.13Å; T87-E90 PolarHBondContact O-N 2.9Å; T87-E90 VanDerWaalsContact OG1-CG 3.3Å; T87-E90 WeakPolarHBondContact OG1-CG 3.26Å; T87-E90 PolarHBondContact OG1-N 2.87Å; T87-E90 PolarHBondContact OG1-OE2 3.43Å; E90-E93 PolarHBondContact O-N 2.97Å; E90-L94 WeakPolarHBondContact O-CB 3.45Å; E90-L94 PolarHBondContact O-N 3.09Å
91	R	98.8	Very high	98.2	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.5	-42	176	-69.4	166.8	172.6	169.3	-5.4	112.6	L86 T87 R89 L95 L180 D182 M219 D286 L290	L86-R91 HydrophobicContact CB-CG 3.67Å; L86-R91 HydrophobicContact CD1-CG 4.3Å; L86-R91 PolarHBondContact O-NE 2.97Å; L86-R91 PolarHBondContact O-NH2 2.82Å; T87-R91 WeakPolarHBondContact O-CD 3.04Å; T87-R91 WeakPolarHBondContact O-CG 3.39Å; T87-R91 PolarHBondContact O-N 3.08Å; T87-R91 VanDerWaalsContact O-N 3.08Å; R89-R91 VanDerWaalsContact C-N 3.27Å; R89-R91 PolarHBondContact O-N 2.77Å; R91-L95 VanDerWaalsContact O-CB 3.23Å; R91-L95 WeakPolarHBondContact O-CB 3.43Å; R91-L95 PolarHBondContact O-N 3.47Å; R91-L180 HydrophobicContact CB-CD1 3.88Å; R91-D182 IonicContact CZ-OD2 2.87Å; R91-D182 IonicContact NH1-OD2 3.81Å; R91-D182 PolarHBondContact NH1-OD2 3.08Å; R91-D182 IonicContact NH2-OD2 3.84Å; R91-M219 HydrophobicContact CG-CE 4.18Å; R91-M219 HydrophobicContact CG-SD 4.12Å; R91-M219 VanDerWaalsContact CZ-CB 3.44Å; R91-M219 VanDerWaalsContact NH2-CB 3.35Å; R91-M219 PolarHBondContact NH2-O 3.49Å; R91-D286 IonicContact CZ-OD2 3.6Å; R91-D286 IonicContact NE-OD2 3.46Å; R91-D286 PolarHBondContact NE-OD2 3.05Å; R91-D286 IonicContact NH2-OD1 3.31Å; R91-D286 IonicContact NH2-OD2 2.66Å; R91-D286 PolarHBondContact NH2-OD2 3.27Å; R91-L290 HydrophobicContact CB-CD1 3.94Å; R91-L290 HydrophobicContact CG-CD1 4.07Å
92	V	98.7	Very high	98.2	Very high	2 Å²	2	62.1 Å²	62.1	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-67.8	-41.1	176.5	169.7	0	0	0	0	111.2	A88 R89 L95 L96 F101 V143 L180	A88-V92 VanDerWaalsContact O-CG2 3.32Å; A88-V92 WeakPolarHBondContact O-CG2 3.41Å; A88-V92 PolarHBondContact O-N 3.17Å; R89-V92 PolarHBondContact O-N 2.84Å; V92-L95 PolarHBondContact O-N 2.66Å; V92-L96 HydrophobicContact CG1-CD1 3.69Å; V92-L96 HydrophobicContact CG1-CG 4.45Å; V92-L96 WeakPolarHBondContact O-CB 3.35Å; V92-L96 WeakPolarHBondContact O-CG 3.5Å; V92-L96 PolarHBondContact O-N 3.09Å; V92-L96 VanDerWaalsContact O-N 3.12Å; V92-F101 HydrophobicContact CG1-CD1 3.85Å; V92-F101 HydrophobicContact CG1-CD2 3.66Å; V92-F101 HydrophobicContact CG1-CE1 3.89Å; V92-F101 HydrophobicContact CG1-CE2 3.71Å; V92-F101 HydrophobicContact CG1-CG 3.75Å; V92-F101 HydrophobicContact CG1-CZ 3.83Å; V92-V143 HydrophobicContact CG1-CG1 4.23Å; V92-V143 HydrophobicContact CG2-CG1 4.4Å; V92-V143 HydrophobicContact CG2-CG2 4.28Å; V92-L180 HydrophobicContact CG2-CD1 4.45Å
93	E	98.2	Very high	98.3	Very high	153 Å²	153	55 Å²	55	72%	0.715	29%	0.286	S	S	*	.	H	α-helix	trans	-64.3	-41.4	177.4	-176.2	171.1	-168.6	0	0	112.4	R89 E90	R89-E93 WeakPolarHBondContact O-CB 3.39Å; R89-E93 PolarHBondContact O-N 2.86Å; E90-E93 PolarHBondContact O-N 2.97Å
94	L	98.4	Very high	98.3	Very high	58 Å²	58	49.6 Å²	49.6	30%	0.304	27%	0.27	S	S	.	.	H	α-helix	trans	-74.1	-32	176.9	-178.7	61	0	0	0	113.3	L86 E90 V287 L290	L86-L94 HydrophobicContact CD1-CD2 4.2Å; E90-L94 WeakPolarHBondContact O-CB 3.45Å; E90-L94 PolarHBondContact O-N 3.09Å; L94-V287 HydrophobicContact CD2-CB 4.11Å; L94-V287 HydrophobicContact CD2-CG1 4.02Å; L94-V287 HydrophobicContact CD2-CG2 3.91Å; L94-L290 HydrophobicContact CB-CD1 4.26Å; L94-L290 HydrophobicContact CD2-CB 4.33Å; L94-L290 HydrophobicContact CD2-CD1 3.99Å; L94-L290 HydrophobicContact CG-CB 4.37Å; L94-L290 HydrophobicContact CG-CD1 4.32Å
95	L	98.7	Very high	98.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-70.7	-42.5	178.7	-179.2	58.5	0	0	0	112.3	R91 V92 I136 V143 I178 L180 L290 L293 R294	R91-L95 VanDerWaalsContact O-CB 3.23Å; R91-L95 WeakPolarHBondContact O-CB 3.43Å; R91-L95 PolarHBondContact O-N 3.47Å; V92-L95 PolarHBondContact O-N 2.66Å; L95-I136 HydrophobicContact CD1-CD1 3.91Å; L95-I136 HydrophobicContact CG-CD1 4.09Å; L95-V143 HydrophobicContact CD2-CG2 4.1Å; L95-I178 HydrophobicContact CD1-CD1 4.49Å; L95-I178 HydrophobicContact CD2-CB 4.46Å; L95-I178 HydrophobicContact CD2-CD1 4.07Å; L95-I178 HydrophobicContact CD2-CG2 3.94Å; L95-L180 HydrophobicContact CD2-CD1 4.13Å; L95-L180 HydrophobicContact CD2-CD2 4.34Å; L95-L290 HydrophobicContact CB-CD2 4.17Å; L95-L290 HydrophobicContact CD1-CD2 4.19Å; L95-L293 HydrophobicContact CD1-CB 4.45Å; L95-L293 HydrophobicContact CD1-CD2 3.9Å; L95-L293 HydrophobicContact CD1-CG 4.06Å; L95-R294 HydrophobicContact CD1-CG 4.14Å; L95-R294 VanDerWaalsContact O-CD 3.29Å; L95-R294 WeakPolarHBondContact O-CD 3.4Å; L95-R294 WeakPolarHBondContact O-CG 3.43Å; L95-R294 PolarHBondContact O-NH1 3.43Å
96	L	98.8	Very high	98.3	Very high	6 Å²	6	50.1 Å²	50.1	3%	0.031	26%	0.259	C	S	.	.	S	Bend	trans	-92	160.8	-170.2	-61.6	177.4	0	0	0	112.1	V92 F101 R135 I136 V141 V143 R294	V92-L96 HydrophobicContact CG1-CD1 3.69Å; V92-L96 HydrophobicContact CG1-CG 4.45Å; V92-L96 WeakPolarHBondContact O-CB 3.35Å; V92-L96 WeakPolarHBondContact O-CG 3.5Å; V92-L96 PolarHBondContact O-N 3.09Å; V92-L96 VanDerWaalsContact O-N 3.12Å; L96-F101 HydrophobicContact CD1-CB 3.73Å; L96-F101 HydrophobicContact CD1-CD2 3.38Å; L96-F101 HydrophobicContact CD1-CE2 4.3Å; L96-F101 HydrophobicContact CD1-CG 3.84Å; L96-R135 CarbonylContact C-O 3.28Å; L96-R135 WeakPolarHBondContact CA-O 3.29Å; L96-I136 HydrophobicContact CD2-CG1 4.14Å; L96-V141 HydrophobicContact CD2-CG1 3.48Å; L96-V141 VanDerWaalsContact CD2-CG1 3.48Å; L96-V143 HydrophobicContact CD1-CG1 4.06Å; L96-R294 VanDerWaalsContact C-NH1 3.32Å
97	D	98.8	Very high	98.3	Very high	28 Å²	28	52.2 Å²	52.2	15%	0.15	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-64.5	142.8	172.6	-58.4	-24	0	0	0	109.8	E99 S100 R135 N137 G138 R294	D97-E99 PolarHBondContact O-N 3.44Å; D97-S100 PolarHBondContact N-OG 3.01Å; D97-S100 WeakPolarHBondContact O-CB 3.49Å; D97-S100 PolarHBondContact O-N 3.12Å; D97-S100 VanDerWaalsContact O-N 3.09Å; D97-S100 PolarHBondContact O-OG 3.45Å; D97-R135 HydrophobicContact CB-CB 4.28Å; D97-R135 VanDerWaalsContact CG-O 3.28Å; D97-R135 PolarHBondContact N-O 3.39Å; D97-R135 WeakPolarHBondContact OD2-CB 3.21Å; D97-N137 VanDerWaalsContact CG-N 3.33Å; D97-N137 PolarHBondContact OD1-N 3.34Å; D97-N137 PolarHBondContact OD2-N 2.94Å; D97-G138 PolarHBondContact OD2-N 2.91Å; D97-R294 IonicContact OD1-CZ 2.69Å; D97-R294 VanDerWaalsContact OD1-CZ 3.29Å; D97-R294 IonicContact OD1-NH1 3.38Å; D97-R294 PolarHBondContact OD1-NH1 2.92Å; D97-R294 IonicContact OD1-NH2 3.49Å; D97-R294 PolarHBondContact OD1-NH2 2.83Å
98	P	98.1	Very high	98.2	Very high	123 Å²	123	53.5 Å²	53.5	80%	0.799	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	139.1	178.9	-29.6	35.7	0	0	0	112.9	S100	P98-S100 PolarHBondContact O-N 3.47Å
99	E	96.1	Very high	98.1	Very high	209 Å²	209	56.4 Å²	56.4	98%	0.977	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	9.1	-179.5	-52.8	-172.3	157.4	0	0	115.7	D97	D97-E99 PolarHBondContact O-N 3.44Å
100	S	98.5	Very high	98	Very high	24 Å²	24	54.4 Å²	54.4	17%	0.168	28%	0.28	C	S	.	.			trans	-88	-19.5	-178.1	77	0	0	0	0	114.9	D97 P98 T102 G134 R135	D97-S100 PolarHBondContact N-OG 3.01Å; D97-S100 WeakPolarHBondContact O-CB 3.49Å; D97-S100 PolarHBondContact O-N 3.12Å; D97-S100 VanDerWaalsContact O-N 3.09Å; D97-S100 PolarHBondContact O-OG 3.45Å; P98-S100 PolarHBondContact O-N 3.47Å; S100-T102 PolarHBondContact O-N 2.69Å; S100-G134 WeakPolarHBondContact O-CA 3.44Å; S100-R135 PolarHBondContact OG-N 2.74Å
101	F	98.7	Very high	97.8	Very high	62 Å²	62	58.6 Å²	58.6	27%	0.272	29%	0.293	S	S	.	.			trans	-72.6	124	-173.3	-176.3	-125	0	0	0	112.7	V92 L96 E103 V130 R133 V143	V92-F101 HydrophobicContact CG1-CD1 3.85Å; V92-F101 HydrophobicContact CG1-CD2 3.66Å; V92-F101 HydrophobicContact CG1-CE1 3.89Å; V92-F101 HydrophobicContact CG1-CE2 3.71Å; V92-F101 HydrophobicContact CG1-CG 3.75Å; V92-F101 HydrophobicContact CG1-CZ 3.83Å; L96-F101 HydrophobicContact CD1-CB 3.73Å; L96-F101 HydrophobicContact CD1-CD2 3.38Å; L96-F101 HydrophobicContact CD1-CE2 4.3Å; L96-F101 HydrophobicContact CD1-CG 3.84Å; F101-E103 HydrophobicContact CD1-CB 4.45Å; F101-E103 HydrophobicContact CE1-CB 3.63Å; F101-E103 HydrophobicContact CE1-CG 4.16Å; F101-E103 HydrophobicContact CZ-CB 3.83Å; F101-E103 HydrophobicContact CZ-CG 4.14Å; F101-V130 HydrophobicContact CE1-CG1 4.05Å; F101-V130 HydrophobicContact CZ-CG1 3.81Å; F101-R133 WeakPolarHBondContact CA-O 3.49Å; F101-R133 WeakPolarHBondContact CD2-O 3.29Å; F101-V143 HydrophobicContact CD2-CG1 4.39Å; F101-V143 HydrophobicContact CE2-CG1 3.94Å
102	T	98.5	Very high	97.7	Very high	73 Å²	73	59.3 Å²	59.3	45%	0.448	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	102.3	169.9	-53	0	0	0	0	109.1	S100 G132 R133	S100-T102 PolarHBondContact O-N 2.69Å; T102-G132 VanDerWaalsContact O-CA 3.29Å; T102-G132 WeakPolarHBondContact O-CA 3.34Å; T102-R133 PolarHBondContact N-O 2.73Å; T102-R133 PolarHBondContact O-N 3.38Å; T102-R133 VanDerWaalsContact O-N 3.15Å
103	E	98.5	Very high	97.5	Very high	40 Å²	40	63 Å²	63	19%	0.187	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	141	174.6	-168	172.8	170.8	0	0	111.4	R89 F101 M106 V130	R89-E103 IonicContact CZ-OE1 3.94Å; R89-E103 IonicContact CZ-OE2 2.74Å; R89-E103 IonicContact NH1-OE1 2.93Å; R89-E103 PolarHBondContact NH1-OE1 3.13Å; R89-E103 IonicContact NH1-OE2 3.28Å; R89-E103 PolarHBondContact NH1-OE2 2.63Å; R89-E103 IonicContact NH2-OE1 3.69Å; R89-E103 PolarHBondContact NH2-OE1 2.9Å; R89-E103 IonicContact NH2-OE2 4Å; R89-E103 PolarHBondContact NH2-OE2 2.9Å; F101-E103 HydrophobicContact CD1-CB 4.45Å; F101-E103 HydrophobicContact CE1-CB 3.63Å; F101-E103 HydrophobicContact CE1-CG 4.16Å; F101-E103 HydrophobicContact CZ-CB 3.83Å; F101-E103 HydrophobicContact CZ-CG 4.14Å; E103-M106 HydrophobicContact CG-CB 4.3Å; E103-M106 WeakPolarHBondContact OE2-CE 3.34Å; E103-V130 HydrophobicContact CG-CG1 4.39Å
104	T	97.6	Very high	97.3	Very high	35 Å²	35	60.1 Å²	60.1	22%	0.215	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	148.6	171.6	-58.3	0	0	0	0	109	M106 T131 K165	T104-M106 VanDerWaalsContact C-N 3.29Å; T104-M106 PolarHBondContact O-N 3.48Å; T104-T131 PolarHBondContact N-O 2.92Å; T104-T131 PolarHBondContact O-OG1 3.4Å; T104-K165 HydrophobicContact CG2-CD 4.06Å
105	D	97.9	Very high	97.2	Very high	40 Å²	40	65.7 Å²	65.7	21%	0.214	34%	0.336	C	S	.	.			trans	60.6	27.2	173	-65.9	-18.1	0	0	0	115.9	F107 V108 K162 K165	D105-F107 PolarHBondContact O-N 2.95Å; D105-V108 HydrophobicContact CB-CB 4.33Å; D105-V108 HydrophobicContact CB-CG2 3.63Å; D105-V108 PolarHBondContact O-N 3.41Å; D105-V108 VanDerWaalsContact O-N 3.14Å; D105-K162 HydrophobicContact CB-CD 4.04Å; D105-K162 VanDerWaalsContact CB-CE 3.43Å; D105-K162 HydrophobicContact CB-CG 3.85Å; D105-K162 VanDerWaalsContact O-CE 3.26Å; D105-K162 WeakPolarHBondContact O-CE 3.19Å; D105-K162 PolarHBondContact O-NZ 3.23Å; D105-K165 IonicContact OD1-NZ 2.81Å; D105-K165 PolarHBondContact OD1-NZ 2.82Å; D105-K165 WeakPolarHBondContact OD2-CD 3.41Å; D105-K165 VanDerWaalsContact OD2-CE 3.24Å; D105-K165 WeakPolarHBondContact OD2-CE 3.29Å; D105-K165 IonicContact OD2-NZ 3.54Å; D105-K165 PolarHBondContact OD2-NZ 3.15Å
106	M	97.8	Very high	96.9	Very high	35 Å²	35	66.4 Å²	66.4	17%	0.172	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-27.9	176.3	-179.9	-171.3	-82.4	0	0	114.3	R65 A68 E103 T104 P125 G126	R65-M106 HydrophobicContact CB-SD 4.42Å; R65-M106 HydrophobicContact CG-CE 4.48Å; R65-M106 HydrophobicContact CG-SD 3.83Å; A68-M106 HydrophobicContact CB-CG 3.58Å; A68-M106 HydrophobicContact CB-SD 4.25Å; E103-M106 HydrophobicContact CG-CB 4.3Å; E103-M106 WeakPolarHBondContact OE2-CE 3.34Å; T104-M106 VanDerWaalsContact C-N 3.29Å; T104-M106 PolarHBondContact O-N 3.48Å; M106-P125 CarbonylContact O-C 3.6Å; M106-P125 VanDerWaalsContact O-C 3.28Å; M106-G126 WeakPolarHBondContact O-CA 3.26Å; M106-G126 PolarHBondContact O-N 2.76Å
107	F	97.5	Very high	96.7	Very high	81 Å²	81	66.5 Å²	66.5	36%	0.355	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	5.9	-176.1	-56.7	-48.9	0	0	0	114.8	I61 K64 R65 D105	I61-F107 HydrophobicContact CG2-CZ 4.29Å; K64-F107 HydrophobicContact CB-CD1 4.3Å; K64-F107 HydrophobicContact CB-CE1 4.2Å; K64-F107 HydrophobicContact CD-CB 4.5Å; K64-F107 HydrophobicContact CD-CD1 4.09Å; K64-F107 HydrophobicContact CG-CD1 3.87Å; K64-F107 HydrophobicContact CG-CE1 4.25Å; R65-F107 HydrophobicContact CB-CE1 4.14Å; R65-F107 HydrophobicContact CB-CZ 4.29Å; D105-F107 PolarHBondContact O-N 2.95Å
108	V	97.8	Very high	96.4	Very high	42 Å²	42	69.3 Å²	69.3	26%	0.255	36%	0.356	S	S	.	.			trans	-67	135.6	177.4	165.5	0	0	0	0	110.1	D105 G126 D127 A158 K162	D105-V108 HydrophobicContact CB-CB 4.33Å; D105-V108 HydrophobicContact CB-CG2 3.63Å; D105-V108 PolarHBondContact O-N 3.41Å; D105-V108 VanDerWaalsContact O-N 3.14Å; V108-G126 CarbonylContact O-C 3.59Å; V108-G126 VanDerWaalsContact O-CA 3.31Å; V108-G126 WeakPolarHBondContact O-CA 3.31Å; V108-G126 PolarHBondContact O-N 2.77Å; V108-D127 PolarHBondContact O-N 3.49Å; V108-A158 HydrophobicContact CG1-CB 3.94Å; V108-K162 HydrophobicContact CB-CD 4.16Å; V108-K162 HydrophobicContact CB-CG 4.48Å; V108-K162 HydrophobicContact CG1-CD 4.18Å; V108-K162 HydrophobicContact CG1-CG 4.29Å
109	E	96.3	Very high	96.1	Very high	63 Å²	63	68.9 Å²	68.9	29%	0.294	34%	0.343	S	S	.	.			trans	-123.1	152	175.7	-78.8	153.7	176.6	0	0	109.4	K64	K64-E109 WeakPolarHBondContact CE-OE1 3.35Å; K64-E109 IonicContact NZ-OE1 2.7Å; K64-E109 PolarHBondContact NZ-OE1 3.19Å; K64-E109 IonicContact NZ-OE2 3.82Å; K64-E109 PolarHBondContact NZ-OE2 3.42Å
110	H	96.2	Very high	95.6	Very high	4 Å²	4	66 Å²	66	2%	0.019	33%	0.334	C	S	.	.			trans	-70.2	149.2	175.4	80.4	94.8	0	0	0	111.9	C112 M117 N122 K123 D127 A158 E190	H110-C112 PolarHBondContact CE1-O 3.04Å; H110-M117 PolarHBondContact CE1-O 3.24Å; H110-M117 PolarHBondContact NE2-O 3.36Å; H110-N122 PolarHBondContact NE2-O 2.99Å; H110-K123 PolarHBondContact CE1-NZ 2.7Å; H110-K123 PolarHBondContact NE2-NZ 3.39Å; H110-K123 PolarHBondContact O-NZ 2.88Å; H110-D127 WeakPolarHBondContact CB-OD1 3.43Å; H110-D127 IonicContact CD2-OD1 3.47Å; H110-D127 IonicContact CG-OD1 3.42Å; H110-A158 HydrophobicContact CB-CB 4.24Å; H110-E190 WeakPolarHBondContact CB-OE1 3.15Å; H110-E190 IonicContact CG-OE1 2.75Å; H110-E190 IonicContact ND1-OE1 3.15Å; H110-E190 PolarHBondContact ND1-OE1 2.98Å
111	R	94.9	Very high	95	Very high	153 Å²	153	68 Å²	68	58%	0.577	36%	0.358	S	S	*	.			trans	-100.1	-4	-172.1	-64.5	177.7	-65.2	-102.3	-6.2	114.3	Q161 E193	R111-Q161 VanDerWaalsContact NH2-CD 3.34Å; R111-Q161 VanDerWaalsContact NH2-NE2 3.15Å; R111-E193 IonicContact NH2-OE1 3.61Å
112	C	95.3	Very high	94.7	Very high	15 Å²	15	67.2 Å²	67.2	10%	0.101	36%	0.357	C	S	.	.			trans	-60.3	141.2	177.8	178.9	0	0	0	0	112.1	H110 D114 M117 K123 Q189 E190	H110-C112 PolarHBondContact CE1-O 3.04Å; C112-D114 PolarHBondContact SG-N 3.32Å; C112-D114 VanDerWaalsContact SG-N 3.37Å; C112-M117 HydrophobicContact CB-CB 4.24Å; C112-M117 CarbonylContact O-C 3.11Å; C112-K123 PolarHBondContact O-NZ 3Å; C112-Q189 PolarHBondContact SG-O 3.4Å; C112-E190 HydrophobicContact CB-CG 3.71Å; C112-E190 WeakPolarHBondContact CB-OE1 3.25Å
113	S	94.6	Very high	94.4	Very high	79 Å²	79	66.1 Å²	66.1	55%	0.552	35%	0.346	S	S	*	.			trans	-127.4	14.5	177	60.1	0	0	0	0	113.1
114	D	95.1	Very high	94.3	Very high	93 Å²	93	65.8 Å²	65.8	50%	0.497	34%	0.344	S	S	.	.	S	Bend	trans	-95	155.4	177.3	-58.2	-60.2	0	0	0	109.7	C112 G116 M117	C112-D114 PolarHBondContact SG-N 3.32Å; C112-D114 VanDerWaalsContact SG-N 3.37Å; D114-G116 PolarHBondContact O-N 3.29Å; D114-M117 WeakPolarHBondContact O-CB 3.34Å; D114-M117 WeakPolarHBondContact O-CG 3.04Å; D114-M117 PolarHBondContact O-N 3.18Å
115	F	95	Very high	94.2	Very high	175 Å²	175	65 Å²	65	77%	0.768	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	25.4	174.7	-48	-77.8	0	0	0	115.6	Q189	F115-Q189 HydrophobicContact CB-CG 4.22Å; F115-Q189 HydrophobicContact CD2-CB 3.98Å; F115-Q189 HydrophobicContact CD2-CG 4.26Å
116	G	93.1	Very high	94	Very high	15 Å²	15	63.2 Å²	63.2	16%	0.155	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	9.3	-179.8	0	0	0	0	0	114.6	D114 E118 Q119 N122	D114-G116 PolarHBondContact O-N 3.29Å; G116-E118 WeakPolarHBondContact CA-OE2 3.41Å; G116-E118 PolarHBondContact N-OE2 3.08Å; G116-E118 PolarHBondContact O-N 3.04Å; G116-Q119 WeakPolarHBondContact O-CB 3.49Å; G116-Q119 WeakPolarHBondContact O-CG 3.32Å; G116-Q119 PolarHBondContact O-N 3.13Å; G116-N122 PolarHBondContact O-ND2 2.75Å
117	M	94.3	Very high	94	Very high	7 Å²	7	61.8 Å²	61.8	3%	0.034	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.4	-179.4	-67.5	-68.4	-58.4	0	0	113.2	H110 C112 D114 Q119 K123 F151 Q189	H110-M117 PolarHBondContact CE1-O 3.24Å; H110-M117 PolarHBondContact NE2-O 3.36Å; C112-M117 HydrophobicContact CB-CB 4.24Å; C112-M117 CarbonylContact O-C 3.11Å; D114-M117 WeakPolarHBondContact O-CB 3.34Å; D114-M117 WeakPolarHBondContact O-CG 3.04Å; D114-M117 PolarHBondContact O-N 3.18Å; M117-Q119 VanDerWaalsContact C-N 3.32Å; M117-K123 WeakPolarHBondContact O-CE 3.31Å; M117-K123 PolarHBondContact O-NZ 2.73Å; M117-F151 HydrophobicContact CE-CD2 4.46Å; M117-F151 HydrophobicContact CE-CE1 4.04Å; M117-F151 HydrophobicContact CE-CE2 3.83Å; M117-F151 HydrophobicContact CE-CZ 3.6Å; M117-F151 HydrophobicContact SD-CE1 4.13Å; M117-F151 HydrophobicContact SD-CZ 4.15Å; M117-Q189 HydrophobicContact CG-CB 3.83Å; M117-Q189 HydrophobicContact CG-CG 4.09Å; M117-Q189 HydrophobicContact SD-CB 4.21Å; M117-Q189 HydrophobicContact SD-CG 4.07Å
118	E	92.8	Very high	94	Very high	88 Å²	88	58 Å²	58	41%	0.411	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.6	173.5	71	-66.5	164.1	0	0	114.2	G116	G116-E118 WeakPolarHBondContact CA-OE2 3.41Å; G116-E118 PolarHBondContact N-OE2 3.08Å; G116-E118 PolarHBondContact O-N 3.04Å
119	Q	92.4	Very high	94	Very high	113 Å²	113	56.1 Å²	56.1	53%	0.528	30%	0.296	S	S	.	.	S	Bend	trans	-65.9	139.6	-174.3	-61.3	174.9	14.6	0	0	111.9	G116 M117 G121 N122 K123	G116-Q119 WeakPolarHBondContact O-CB 3.49Å; G116-Q119 WeakPolarHBondContact O-CG 3.32Å; G116-Q119 PolarHBondContact O-N 3.13Å; M117-Q119 VanDerWaalsContact C-N 3.32Å; Q119-G121 PolarHBondContact O-N 3.23Å; Q119-G121 VanDerWaalsContact O-N 3.09Å; Q119-N122 WeakPolarHBondContact O-CA 3.36Å; Q119-N122 WeakPolarHBondContact O-CB 3.23Å; Q119-N122 PolarHBondContact O-N 3.3Å; Q119-K123 PolarHBondContact O-N 3.38Å
120	D	84	Confident	94.1	Very high	149 Å²	149	53.3 Å²	53.3	80%	0.797	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-54.2	-35.2	-177.5	-70.6	-32.8	0	0	0	113.3	N122 K123	D120-N122 PolarHBondContact O-N 2.84Å; D120-K123 PolarHBondContact O-N 3.05Å; D120-K123 VanDerWaalsContact O-N 3.08Å
121	G	87.4	Confident	94.3	Very high	65 Å²	65	53.1 Å²	53.1	67%	0.67	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-66.2	-12.4	176.3	0	0	0	0	0	115.1	Q119	Q119-G121 PolarHBondContact O-N 3.23Å; Q119-G121 VanDerWaalsContact O-N 3.09Å
122	N	90.9	Very high	94.5	Very high	47 Å²	47	45.9 Å²	45.9	25%	0.251	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-105	-2	175.5	-69.5	-34.3	0	0	0	112.5	H110 G116 Q119 D120 F124 F151	H110-N122 PolarHBondContact NE2-O 2.99Å; G116-N122 PolarHBondContact O-ND2 2.75Å; Q119-N122 WeakPolarHBondContact O-CA 3.36Å; Q119-N122 WeakPolarHBondContact O-CB 3.23Å; Q119-N122 PolarHBondContact O-N 3.3Å; D120-N122 PolarHBondContact O-N 2.84Å; N122-F124 WeakPolarHBondContact O-CD2 2.89Å; N122-F124 PolarHBondContact O-N 2.81Å; N122-F151 HydrophobicContact CB-CZ 4.02Å; N122-F151 WeakPolarHBondContact O-CE2 3.32Å; N122-F151 VanDerWaalsContact O-CZ 3.27Å; N122-F151 WeakPolarHBondContact O-CZ 3.13Å
123	K	92.8	Very high	94.6	Very high	49 Å²	49	50.5 Å²	50.5	21%	0.213	27%	0.27	C	S	.	.			trans	-89.8	98.6	177.1	-62.6	-63.9	174.3	-159.8	0	111.1	H110 C112 M117 Q119 D120	H110-K123 PolarHBondContact CE1-NZ 2.7Å; H110-K123 PolarHBondContact NE2-NZ 3.39Å; H110-K123 PolarHBondContact O-NZ 2.88Å; C112-K123 PolarHBondContact O-NZ 3Å; M117-K123 WeakPolarHBondContact O-CE 3.31Å; M117-K123 PolarHBondContact O-NZ 2.73Å; Q119-K123 PolarHBondContact O-N 3.38Å; D120-K123 PolarHBondContact O-N 3.05Å; D120-K123 VanDerWaalsContact O-N 3.08Å
124	F	96	Very high	94.8	Very high	34 Å²	34	46.9 Å²	46.9	15%	0.149	25%	0.246	C	C	.	.			trans	-96.7	118.8	176.2	-65.8	-88.6	0	0	0	111.1	G71 N122 G126 D127 V150 F151	G71-F124 WeakPolarHBondContact O-CD1 3.41Å; N122-F124 WeakPolarHBondContact O-CD2 2.89Å; N122-F124 PolarHBondContact O-N 2.81Å; F124-G126 PolarHBondContact O-N 2.88Å; F124-D127 WeakPolarHBondContact O-CA 3.37Å; F124-D127 PolarHBondContact O-N 2.99Å; F124-V150 HydrophobicContact CB-CG1 3.68Å; F124-V150 HydrophobicContact CB-CG2 4.35Å; F124-V150 HydrophobicContact CD1-CG1 4.34Å; F124-V150 HydrophobicContact CD1-CG2 4.15Å; F124-V150 HydrophobicContact CD2-CG1 3.94Å; F124-V150 HydrophobicContact CG-CG1 3.71Å; F124-V150 HydrophobicContact CG-CG2 4.29Å; F124-F151 HydrophobicContact CD2-CD2 4.2Å; F124-F151 AromaticContact CD2-CE2 3.51Å; F124-F151 HydrophobicContact CD2-CE2 3.51Å; F124-F151 AromaticContact CD2-CZ 3.82Å; F124-F151 HydrophobicContact CD2-CZ 3.82Å; F124-F151 HydrophobicContact CE2-CE1 4.29Å; F124-F151 AromaticContact CE2-CE2 3.87Å; F124-F151 HydrophobicContact CE2-CE2 3.87Å; F124-F151 AromaticContact CE2-CZ 3.71Å; F124-F151 HydrophobicContact CE2-CZ 3.71Å
125	P	96.1	Very high	95	Very high	17 Å²	17	48.5 Å²	48.5	11%	0.11	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	127.7	174.6	-21.3	33.5	0	0	0	111.5	K64 A67 A68 M106	K64-P125 HydrophobicContact CD-CG 4.41Å; K64-P125 HydrophobicContact CG-CB 4.04Å; K64-P125 HydrophobicContact CG-CG 3.74Å; A67-P125 HydrophobicContact CB-CG 4.25Å; A68-P125 HydrophobicContact CB-CB 3.91Å; M106-P125 CarbonylContact O-C 3.6Å; M106-P125 VanDerWaalsContact O-C 3.28Å
126	G	94.8	Very high	95.2	Very high	3 Å²	3	40.2 Å²	40.2	3%	0.031	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.6	-12.1	-172.4	0	0	0	0	0	113.1	M106 V108 F124 K162	M106-G126 WeakPolarHBondContact O-CA 3.26Å; M106-G126 PolarHBondContact O-N 2.76Å; V108-G126 CarbonylContact O-C 3.59Å; V108-G126 VanDerWaalsContact O-CA 3.31Å; V108-G126 WeakPolarHBondContact O-CA 3.31Å; V108-G126 PolarHBondContact O-N 2.77Å; F124-G126 PolarHBondContact O-N 2.88Å; G126-K162 WeakPolarHBondContact O-CD 3.34Å; G126-K162 PolarHBondContact O-NZ 3.14Å
127	D	96.8	Very high	95.3	Very high	6 Å²	6	43 Å²	43	3%	0.032	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-144.7	-163.5	-160.3	63	0	0	0	111.5	V108 H110 F124 V129 S156 R187	V108-D127 PolarHBondContact O-N 3.49Å; H110-D127 WeakPolarHBondContact CB-OD1 3.43Å; H110-D127 IonicContact CD2-OD1 3.47Å; H110-D127 IonicContact CG-OD1 3.42Å; F124-D127 WeakPolarHBondContact O-CA 3.37Å; F124-D127 PolarHBondContact O-N 2.99Å; D127-V129 PolarHBondContact O-N 3.2Å; D127-S156 PolarHBondContact OD2-OG 3.43Å; D127-R187 IonicContact OD1-CZ 2.88Å; D127-R187 IonicContact OD1-NH1 2.7Å; D127-R187 PolarHBondContact OD1-NH1 3.22Å; D127-R187 IonicContact OD1-NH2 2.84Å; D127-R187 PolarHBondContact OD1-NH2 3.49Å; D127-R187 IonicContact OD2-CZ 2.69Å; D127-R187 IonicContact OD2-NH1 2.78Å; D127-R187 PolarHBondContact OD2-NH1 2.84Å; D127-R187 IonicContact OD2-NH2 3.6Å; D127-R187 PolarHBondContact OD2-NH2 3.37Å
128	S	97.2	Very high	95.5	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	26.5	-174.2	58.7	0	0	0	0	114.8	D147 V150 S154 H159 R187	S128-D147 PolarHBondContact O-N 3.04Å; S128-V150 VanDerWaalsContact CB-O 3.29Å; S128-V150 WeakPolarHBondContact CB-O 3.36Å; S128-S154 PolarHBondContact OG-O 3.41Å; S128-H159 PolarHBondContact OG-ND1 2.97Å; S128-R187 PolarHBondContact OG-NH2 2.88Å; S128-R187 VanDerWaalsContact OG-NH2 3.1Å
129	V	98.7	Very high	95.7	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.018	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	134	179	63.8	0	0	0	0	112.8	D127 T131 F144 S145 Q146 H159 K162 I163	D127-V129 PolarHBondContact O-N 3.2Å; V129-T131 HydrophobicContact CG1-CG2 4.19Å; V129-T131 HydrophobicContact CG2-CG2 3.85Å; V129-F144 HydrophobicContact CG2-CB 3.96Å; V129-F144 HydrophobicContact CG2-CD2 4.47Å; V129-S145 WeakPolarHBondContact CA-O 3.5Å; V129-S145 WeakPolarHBondContact CG2-O 3.49Å; V129-Q146 HydrophobicContact CG2-CG 4.36Å; V129-H159 HydrophobicContact CG1-CB 4.1Å; V129-K162 HydrophobicContact CG1-CB 4.16Å; V129-K162 HydrophobicContact CG1-CD 4.05Å; V129-K162 PolarHBondContact O-NZ 2.89Å; V129-I163 HydrophobicContact CG2-CD1 4.26Å; V129-I163 HydrophobicContact CG2-CG1 4.14Å
130	V	98.8	Very high	96	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.024	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	130.7	167.4	-179.8	0	0	0	0	108.1	A88 R89 F101 E103 F144 S145	A88-V130 HydrophobicContact CB-CG2 4.1Å; R89-V130 HydrophobicContact CG-CG2 3.87Å; F101-V130 HydrophobicContact CE1-CG1 4.05Å; F101-V130 HydrophobicContact CZ-CG1 3.81Å; E103-V130 HydrophobicContact CG-CG1 4.39Å; V130-F144 CarbonylContact O-C 3.57Å; V130-F144 VanDerWaalsContact O-CA 3.27Å; V130-F144 WeakPolarHBondContact O-CA 3.22Å; V130-S145 PolarHBondContact N-O 2.58Å; V130-S145 PolarHBondContact O-N 2.86Å
131	T	98.9	Very high	96.7	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	141.8	-177.6	53	0	0	0	0	111.4	T104 V129 V143 F144 K162 I163 I166	T104-T131 PolarHBondContact N-O 2.92Å; T104-T131 PolarHBondContact O-OG1 3.4Å; V129-T131 HydrophobicContact CG1-CG2 4.19Å; V129-T131 HydrophobicContact CG2-CG2 3.85Å; T131-V143 WeakPolarHBondContact CA-O 3.31Å; T131-F144 HydrophobicContact CG2-CB 3.87Å; T131-K162 HydrophobicContact CG2-CB 3.79Å; T131-K162 VanDerWaalsContact OG1-CE 3.28Å; T131-K162 WeakPolarHBondContact OG1-CE 3.37Å; T131-I163 HydrophobicContact CG2-CG1 4.4Å; T131-I166 HydrophobicContact CG2-CD1 4.22Å
132	G	98.6	Very high	97.2	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.2	-154.7	175.2	0	0	0	0	0	113.3	T102 V143	T102-G132 VanDerWaalsContact O-CA 3.29Å; T102-G132 WeakPolarHBondContact O-CA 3.34Å; G132-V143 PolarHBondContact N-O 2.94Å; G132-V143 PolarHBondContact O-N 3.27Å
133	R	98.7	Very high	97.6	Very high	112 Å²	112	27.3 Å²	27.3	42%	0.423	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	157	176.6	66.2	-176.3	-178.2	-172	-1	110.6	F101 T102 L140 V141 Y142	F101-R133 WeakPolarHBondContact CA-O 3.49Å; F101-R133 WeakPolarHBondContact CD2-O 3.29Å; T102-R133 PolarHBondContact N-O 2.73Å; T102-R133 PolarHBondContact O-N 3.38Å; T102-R133 VanDerWaalsContact O-N 3.15Å; R133-L140 HydrophobicContact CB-CD1 4.28Å; R133-V141 CarbonylContact C-O 3.59Å; R133-V141 VanDerWaalsContact CA-O 3.28Å; R133-V141 WeakPolarHBondContact CA-O 3.49Å; R133-V141 WeakPolarHBondContact CB-O 3.49Å; R133-Y142 HydrophobicContact CB-CD1 3.78Å; R133-Y142 HydrophobicContact CB-CD2 4.47Å; R133-Y142 HydrophobicContact CB-CE1 3.78Å; R133-Y142 HydrophobicContact CB-CE2 4.43Å; R133-Y142 HydrophobicContact CB-CG 4.17Å; R133-Y142 HydrophobicContact CG-CE1 4.45Å
134	G	98.7	Very high	97.9	Very high	4 Å²	4	25.4 Å²	25.4	4%	0.041	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	-151.4	171.3	0	0	0	0	0	111	S100 V141	S100-G134 WeakPolarHBondContact O-CA 3.44Å; G134-V141 PolarHBondContact N-O 2.79Å; G134-V141 PolarHBondContact O-N 3.03Å
135	R	98.8	Very high	98.1	Very high	127 Å²	127	23.8 Å²	23.8	48%	0.479	12%	0.117	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	150.1	175.8	-64.4	178	-176.5	-85.2	-2.5	111.6	L96 D97 S100 G138 R139	L96-R135 CarbonylContact C-O 3.28Å; L96-R135 WeakPolarHBondContact CA-O 3.29Å; D97-R135 HydrophobicContact CB-CB 4.28Å; D97-R135 VanDerWaalsContact CG-O 3.28Å; D97-R135 PolarHBondContact N-O 3.39Å; D97-R135 WeakPolarHBondContact OD2-CB 3.21Å; S100-R135 PolarHBondContact OG-N 2.74Å; R135-G138 WeakPolarHBondContact CD-O 3.28Å; R135-G138 PolarHBondContact NH1-O 3.04Å; R135-R139 CarbonylContact C-O 3.56Å; R135-R139 WeakPolarHBondContact CA-O 2.94Å
136	I	98.6	Very high	98.2	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	117.6	163	-66.6	171	0	0	0	106.5	L95 L96 G138 R139 V141 I178 R294 F297	L95-I136 HydrophobicContact CD1-CD1 3.91Å; L95-I136 HydrophobicContact CG-CD1 4.09Å; L96-I136 HydrophobicContact CD2-CG1 4.14Å; I136-G138 PolarHBondContact O-N 3.3Å; I136-R139 PolarHBondContact N-O 3.04Å; I136-R139 WeakPolarHBondContact O-CB 3.4Å; I136-R139 PolarHBondContact O-N 3.48Å; I136-V141 HydrophobicContact CD1-CG1 3.96Å; I136-V141 HydrophobicContact CG1-CG1 3.91Å; I136-I178 HydrophobicContact CD1-CD1 3.74Å; I136-R294 HydrophobicContact CG2-CB 4.13Å; I136-R294 HydrophobicContact CG2-CG 4.03Å; I136-F297 HydrophobicContact CB-CD1 3.78Å; I136-F297 HydrophobicContact CB-CE1 3.86Å; I136-F297 HydrophobicContact CB-CG 4.3Å; I136-F297 HydrophobicContact CB-CZ 4.43Å; I136-F297 HydrophobicContact CD1-CD1 4.46Å; I136-F297 HydrophobicContact CD1-CD2 4.11Å; I136-F297 HydrophobicContact CD1-CE2 4.37Å; I136-F297 HydrophobicContact CD1-CG 4.15Å; I136-F297 HydrophobicContact CG2-CB 4.21Å; I136-F297 HydrophobicContact CG2-CD1 3.59Å; I136-F297 HydrophobicContact CG2-CE1 4.19Å; I136-F297 HydrophobicContact CG2-CG 4.02Å
137	N	96.5	Very high	98.4	Very high	73 Å²	73	23.8 Å²	23.8	39%	0.39	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	45.4	-176.2	-53.2	-44.4	0	0	0	111.8	D97 R139 R294 N298	D97-N137 VanDerWaalsContact CG-N 3.33Å; D97-N137 PolarHBondContact OD1-N 3.34Å; D97-N137 PolarHBondContact OD2-N 2.94Å; N137-R139 VanDerWaalsContact C-N 3.26Å; N137-R139 PolarHBondContact O-N 2.9Å; N137-R294 PolarHBondContact OD1-NH2 2.75Å; N137-N298 VanDerWaalsContact ND2-CG 3.27Å; N137-N298 PolarHBondContact ND2-ND2 3.36Å; N137-N298 PolarHBondContact ND2-OD1 2.94Å
138	G	97.4	Very high	98.4	Very high	40 Å²	40	25.7 Å²	25.7	41%	0.412	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.1	-10.5	-179.2	0	0	0	0	0	115.4	D97 R135 I136	D97-G138 PolarHBondContact OD2-N 2.91Å; R135-G138 WeakPolarHBondContact CD-O 3.28Å; R135-G138 PolarHBondContact NH1-O 3.04Å; I136-G138 PolarHBondContact O-N 3.3Å
139	R	97.9	Very high	98.5	Very high	47 Å²	47	26 Å²	26	18%	0.177	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	139.3	-172.9	-59.6	170	64.2	-149.2	-0.7	111.6	R135 I136 N137 F297 L300 L302	R135-R139 CarbonylContact C-O 3.56Å; R135-R139 WeakPolarHBondContact CA-O 2.94Å; I136-R139 PolarHBondContact N-O 3.04Å; I136-R139 WeakPolarHBondContact O-CB 3.4Å; I136-R139 PolarHBondContact O-N 3.48Å; N137-R139 VanDerWaalsContact C-N 3.26Å; N137-R139 PolarHBondContact O-N 2.9Å; R139-F297 HydrophobicContact CB-CE1 4.01Å; R139-F297 PolarHBondContact NH1-O 3Å; R139-L300 PolarHBondContact NH1-O 3.32Å; R139-L300 PolarHBondContact NH2-O 3.08Å; R139-L302 HydrophobicContact CB-CD2 4.22Å
140	L	98.4	Very high	98.4	Very high	49 Å²	49	25.9 Å²	25.9	26%	0.257	13%	0.125	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	137	-174.8	178.5	62.8	0	0	0	112.1	R133 Y142 V173 A175	R133-L140 HydrophobicContact CB-CD1 4.28Å; L140-Y142 HydrophobicContact CD1-CE2 4.49Å; L140-Y142 HydrophobicContact CD2-CE2 4.27Å; L140-Y142 HydrophobicContact CG-CE2 4.41Å; L140-V173 HydrophobicContact CD2-CG2 3.89Å; L140-A175 HydrophobicContact CB-CB 4.45Å; L140-A175 HydrophobicContact CD2-CB 3.92Å; L140-A175 HydrophobicContact CG-CB 3.88Å
141	V	98.8	Very high	98.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	146.8	172	65.6	0	0	0	0	110.7	L96 R133 G134 I136 P176 I178 F297	L96-V141 HydrophobicContact CD2-CG1 3.48Å; L96-V141 VanDerWaalsContact CD2-CG1 3.48Å; R133-V141 CarbonylContact C-O 3.59Å; R133-V141 VanDerWaalsContact CA-O 3.28Å; R133-V141 WeakPolarHBondContact CA-O 3.49Å; R133-V141 WeakPolarHBondContact CB-O 3.49Å; G134-V141 PolarHBondContact N-O 2.79Å; G134-V141 PolarHBondContact O-N 3.03Å; I136-V141 HydrophobicContact CD1-CG1 3.96Å; I136-V141 HydrophobicContact CG1-CG1 3.91Å; V141-P176 HydrophobicContact CG2-CB 4.38Å; V141-I178 HydrophobicContact CG2-CD1 3.76Å; V141-I178 HydrophobicContact CG2-CG1 3.86Å; V141-F297 HydrophobicContact CB-CE2 4.06Å; V141-F297 HydrophobicContact CB-CZ 4.06Å; V141-F297 HydrophobicContact CG2-CE2 3.86Å; V141-F297 HydrophobicContact CG2-CZ 4.37Å
142	Y	98.9	Very high	98.2	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.016	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.6	169	-77.4	-96.1	0	0	0	110.1	R133 L140 I166 Q169 A170 V173 A175 P176 V177 I178	R133-Y142 HydrophobicContact CB-CD1 3.78Å; R133-Y142 HydrophobicContact CB-CD2 4.47Å; R133-Y142 HydrophobicContact CB-CE1 3.78Å; R133-Y142 HydrophobicContact CB-CE2 4.43Å; R133-Y142 HydrophobicContact CB-CG 4.17Å; R133-Y142 HydrophobicContact CG-CE1 4.45Å; L140-Y142 HydrophobicContact CD1-CE2 4.49Å; L140-Y142 HydrophobicContact CD2-CE2 4.27Å; L140-Y142 HydrophobicContact CG-CE2 4.41Å; Y142-I166 HydrophobicContact CD1-CB 3.91Å; Y142-I166 HydrophobicContact CD1-CG2 4.37Å; Y142-Q169 HydrophobicContact CD1-CB 4.46Å; Y142-Q169 HydrophobicContact CE1-CB 3.64Å; Y142-A170 HydrophobicContact CD2-CB 3.52Å; Y142-A170 HydrophobicContact CE2-CB 4.16Å; Y142-A170 HydrophobicContact CG-CB 3.74Å; Y142-V173 HydrophobicContact CE2-CG2 3.74Å; Y142-A175 HydrophobicContact CD2-CB 3.98Å; Y142-A175 HydrophobicContact CE2-CB 4.15Å; Y142-P176 PolarHBondContact N-O 2.96Å; Y142-V177 WeakPolarHBondContact O-CA 3.27Å; Y142-I178 PolarHBondContact O-N 3.3Å
143	V	98.9	Very high	98.2	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	138.6	-176.4	64.6	0	0	0	0	111.8	V92 L95 L96 F101 T131 G132 I166 I178 L180	V92-V143 HydrophobicContact CG1-CG1 4.23Å; V92-V143 HydrophobicContact CG2-CG1 4.4Å; V92-V143 HydrophobicContact CG2-CG2 4.28Å; L95-V143 HydrophobicContact CD2-CG2 4.1Å; L96-V143 HydrophobicContact CD1-CG1 4.06Å; F101-V143 HydrophobicContact CD2-CG1 4.39Å; F101-V143 HydrophobicContact CE2-CG1 3.94Å; T131-V143 WeakPolarHBondContact CA-O 3.31Å; G132-V143 PolarHBondContact N-O 2.94Å; G132-V143 PolarHBondContact O-N 3.27Å; V143-I166 VanDerWaalsContact C-CD1 3.4Å; V143-I166 WeakPolarHBondContact O-CD1 3.29Å; V143-I178 WeakPolarHBondContact CA-O 3.28Å; V143-I178 HydrophobicContact CG2-CB 4.42Å; V143-L180 HydrophobicContact CG2-CD1 4.26Å; V143-L180 HydrophobicContact CG2-CG 4.27Å
144	F	98.9	Very high	98.1	Very high	9 Å²	9	24.1 Å²	24.1	4%	0.039	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.3	158.8	65	-89.9	0	0	0	110.5	V129 V130 T131 Q146 I163 I166 V177 I178 G179 L180	V129-F144 HydrophobicContact CG2-CB 3.96Å; V129-F144 HydrophobicContact CG2-CD2 4.47Å; V130-F144 CarbonylContact O-C 3.57Å; V130-F144 VanDerWaalsContact O-CA 3.27Å; V130-F144 WeakPolarHBondContact O-CA 3.22Å; T131-F144 HydrophobicContact CG2-CB 3.87Å; F144-Q146 HydrophobicContact CD2-CG 4.43Å; F144-I163 HydrophobicContact CB-CG1 4.05Å; F144-I163 HydrophobicContact CD1-CG1 4.43Å; F144-I163 HydrophobicContact CD1-CG2 3.93Å; F144-I163 HydrophobicContact CD2-CD1 3.7Å; F144-I163 HydrophobicContact CD2-CG1 4.1Å; F144-I163 HydrophobicContact CE1-CG2 3.96Å; F144-I163 HydrophobicContact CE2-CD1 3.93Å; F144-I163 HydrophobicContact CG-CD1 4.08Å; F144-I163 HydrophobicContact CG-CG1 3.97Å; F144-I163 HydrophobicContact CG-CG2 4.31Å; F144-I163 HydrophobicContact CZ-CD1 4.48Å; F144-I163 HydrophobicContact CZ-CG2 4.38Å; F144-I166 HydrophobicContact CB-CD1 3.81Å; F144-I166 HydrophobicContact CD1-CD1 4.21Å; F144-V177 HydrophobicContact CD1-CG1 4.24Å; F144-V177 HydrophobicContact CE1-CG1 4.16Å; F144-I178 PolarHBondContact N-O 3.38Å; F144-G179 VanDerWaalsContact CE1-CA 3.44Å; F144-L180 PolarHBondContact O-N 3.12Å
145	S	98.9	Very high	98.1	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	121.5	173.5	-169.5	0	0	0	0	110.4	A88 V129 V130	A88-S145 VanDerWaalsContact CA-OG 3.31Å; A88-S145 WeakPolarHBondContact CA-OG 3.49Å; A88-S145 WeakPolarHBondContact CB-OG 3.46Å; A88-S145 PolarHBondContact O-OG 2.88Å; V129-S145 WeakPolarHBondContact CA-O 3.5Å; V129-S145 WeakPolarHBondContact CG2-O 3.49Å; V130-S145 PolarHBondContact N-O 2.58Å; V130-S145 PolarHBondContact O-N 2.86Å
146	Q	98.8	Very high	98.1	Very high	6 Å²	6	18 Å²	18	3%	0.028	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	131	-176.7	-61.2	-178.3	-54.6	0	0	110	V129 F144 H159 L180 N181	V129-Q146 HydrophobicContact CG2-CG 4.36Å; F144-Q146 HydrophobicContact CD2-CG 4.43Å; Q146-H159 PolarHBondContact NE2-CE1 2.84Å; Q146-H159 PolarHBondContact NE2-NE2 3.15Å; Q146-L180 PolarHBondContact N-O 3.11Å; Q146-N181 PolarHBondContact OE1-ND2 2.75Å; Q146-N181 VanDerWaalsContact OE1-ND2 3.15Å
147	D	98.6	Very high	98	Very high	15 Å²	15	18.1 Å²	18.1	8%	0.08	10%	0.104	C	C	.	.			trans	-95.6	98	-179.4	-174	-5.5	0	0	0	110.4	A88 S128 T149 V150 G153	A88-D147 HydrophobicContact CB-CB 3.93Å; S128-D147 PolarHBondContact O-N 3.04Å; D147-T149 PolarHBondContact O-N 3.45Å; D147-T149 VanDerWaalsContact O-N 3.13Å; D147-T149 WeakPolarHBondContact OD1-CA 3.22Å; D147-T149 VanDerWaalsContact OD1-CB 3.26Å; D147-T149 WeakPolarHBondContact OD1-CB 3.28Å; D147-T149 WeakPolarHBondContact OD1-CG2 3.41Å; D147-T149 PolarHBondContact OD1-N 3.33Å; D147-T149 PolarHBondContact OD1-OG1 3.32Å; D147-T149 PolarHBondContact OD2-OG1 2.79Å; D147-T149 VanDerWaalsContact OD2-OG1 3.13Å; D147-V150 PolarHBondContact O-N 2.68Å; D147-V150 VanDerWaalsContact O-N 3.08Å; D147-G153 WeakPolarHBondContact O-CA 3.19Å; D147-G153 PolarHBondContact O-N 2.79Å
148	F	98.3	Very high	98.1	Very high	46 Å²	46	14.8 Å²	14.8	20%	0.202	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.1	177.6	-164.1	-96.9	0	0	0	113.5	V150 G152 D182 P221	F148-V150 VanDerWaalsContact C-N 3.28Å; F148-V150 PolarHBondContact O-N 2.78Å; F148-G152 WeakPolarHBondContact CD2-O 3.29Å; F148-G152 WeakPolarHBondContact CE2-O 3.27Å; F148-G152 WeakPolarHBondContact O-CA 3.2Å; F148-G152 PolarHBondContact O-N 3.31Å; F148-D182 HydrophobicContact CB-CB 4.49Å; F148-D182 WeakPolarHBondContact CB-OD1 3.4Å; F148-D182 VanDerWaalsContact CD2-OD1 3.28Å; F148-D182 WeakPolarHBondContact CD2-OD1 3.24Å; F148-D182 WeakPolarHBondContact CG-OD1 3.36Å; F148-P221 HydrophobicContact CD2-CG 4.47Å; F148-P221 HydrophobicContact CE2-CB 4.48Å; F148-P221 HydrophobicContact CE2-CG 3.79Å; F148-P221 HydrophobicContact CZ-CG 4.28Å
149	T	98.1	Very high	98.2	Very high	5 Å²	5	12.9 Å²	12.9	3%	0.031	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-27.5	177.8	75.5	0	0	0	0	112	G72 R76 I77 D147	G72-T149 WeakPolarHBondContact CA-O 3.43Å; G72-T149 WeakPolarHBondContact CA-OG1 3.36Å; G72-T149 PolarHBondContact N-OG1 2.62Å; R76-T149 HydrophobicContact CB-CG2 4.01Å; R76-T149 WeakPolarHBondContact CD-O 3.33Å; R76-T149 PolarHBondContact NH1-O 3.05Å; I77-T149 HydrophobicContact CG1-CG2 4.28Å; D147-T149 PolarHBondContact O-N 3.45Å; D147-T149 VanDerWaalsContact O-N 3.13Å; D147-T149 WeakPolarHBondContact OD1-CA 3.22Å; D147-T149 VanDerWaalsContact OD1-CB 3.26Å; D147-T149 WeakPolarHBondContact OD1-CB 3.28Å; D147-T149 WeakPolarHBondContact OD1-CG2 3.41Å; D147-T149 PolarHBondContact OD1-N 3.33Å; D147-T149 PolarHBondContact OD1-OG1 3.32Å; D147-T149 PolarHBondContact OD2-OG1 2.79Å; D147-T149 VanDerWaalsContact OD2-OG1 3.13Å
150	V	97.9	Very high	98.2	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.012	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	111.4	177.8	-179.6	0	0	0	0	109.7	F124 S128 D147 F148 G152 G153	F124-V150 HydrophobicContact CB-CG1 3.68Å; F124-V150 HydrophobicContact CB-CG2 4.35Å; F124-V150 HydrophobicContact CD1-CG1 4.34Å; F124-V150 HydrophobicContact CD1-CG2 4.15Å; F124-V150 HydrophobicContact CD2-CG1 3.94Å; F124-V150 HydrophobicContact CG-CG1 3.71Å; F124-V150 HydrophobicContact CG-CG2 4.29Å; S128-V150 VanDerWaalsContact CB-O 3.29Å; S128-V150 WeakPolarHBondContact CB-O 3.36Å; D147-V150 PolarHBondContact O-N 2.68Å; D147-V150 VanDerWaalsContact O-N 3.08Å; F148-V150 VanDerWaalsContact C-N 3.28Å; F148-V150 PolarHBondContact O-N 2.78Å; V150-G152 PolarHBondContact O-N 2.99Å; V150-G153 PolarHBondContact O-N 2.91Å
151	F	96.7	Very high	98.2	Very high	45 Å²	45	12.4 Å²	12.4	20%	0.197	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	45.3	35.9	-178.1	-59.4	-65	0	0	0	115.3	M117 N122 F124 G153 S154	M117-F151 HydrophobicContact CE-CD2 4.46Å; M117-F151 HydrophobicContact CE-CE1 4.04Å; M117-F151 HydrophobicContact CE-CE2 3.83Å; M117-F151 HydrophobicContact CE-CZ 3.6Å; M117-F151 HydrophobicContact SD-CE1 4.13Å; M117-F151 HydrophobicContact SD-CZ 4.15Å; N122-F151 HydrophobicContact CB-CZ 4.02Å; N122-F151 WeakPolarHBondContact O-CE2 3.32Å; N122-F151 VanDerWaalsContact O-CZ 3.27Å; N122-F151 WeakPolarHBondContact O-CZ 3.13Å; F124-F151 HydrophobicContact CD2-CD2 4.2Å; F124-F151 AromaticContact CD2-CE2 3.51Å; F124-F151 HydrophobicContact CD2-CE2 3.51Å; F124-F151 AromaticContact CD2-CZ 3.82Å; F124-F151 HydrophobicContact CD2-CZ 3.82Å; F124-F151 HydrophobicContact CE2-CE1 4.29Å; F124-F151 AromaticContact CE2-CE2 3.87Å; F124-F151 HydrophobicContact CE2-CE2 3.87Å; F124-F151 AromaticContact CE2-CZ 3.71Å; F124-F151 HydrophobicContact CE2-CZ 3.71Å; F151-G153 VanDerWaalsContact C-N 3.25Å; F151-G153 PolarHBondContact O-N 2.89Å; F151-S154 WeakPolarHBondContact CB-OG 3.32Å; F151-S154 VanDerWaalsContact O-CB 3.22Å; F151-S154 WeakPolarHBondContact O-CB 3.22Å; F151-S154 PolarHBondContact O-N 3.49Å; F151-S154 VanDerWaalsContact O-N 3.12Å; F151-S154 PolarHBondContact O-OG 2.83Å
152	G	96.9	Very high	98.2	Very high	22 Å²	22	12.5 Å²	12.5	23%	0.227	7%	0.067	C	C	.	.	G	3₁₀ helix	trans	65.4	26.2	-178.4	0	0	0	0	0	113.7	F148 V150 S154 G184	F148-G152 WeakPolarHBondContact CD2-O 3.29Å; F148-G152 WeakPolarHBondContact CE2-O 3.27Å; F148-G152 WeakPolarHBondContact O-CA 3.2Å; F148-G152 PolarHBondContact O-N 3.31Å; V150-G152 PolarHBondContact O-N 2.99Å; G152-S154 PolarHBondContact O-N 3.05Å; G152-G184 PolarHBondContact O-N 2.72Å
153	G	97.3	Very high	98.2	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	G	3₁₀ helix	trans	70.6	8.5	-174.7	0	0	0	0	0	113.6	D147 V150 F151 S183	D147-G153 WeakPolarHBondContact O-CA 3.19Å; D147-G153 PolarHBondContact O-N 2.79Å; V150-G153 PolarHBondContact O-N 2.91Å; F151-G153 VanDerWaalsContact C-N 3.25Å; F151-G153 PolarHBondContact O-N 2.89Å; G153-S183 VanDerWaalsContact O-CB 3.28Å; G153-S183 WeakPolarHBondContact O-CB 3.49Å; G153-S183 PolarHBondContact O-OG 2.78Å
154	S	97.6	Very high	98.2	Very high	12 Å²	12	12.6 Å²	12.6	8%	0.084	7%	0.068	C	C	.	.	P	Polyproline II helix	trans	-61.9	137.1	-170.5	57.9	0	0	0	0	112.6	S128 F151 G152 S156 G185 R187	S128-S154 PolarHBondContact OG-O 3.41Å; F151-S154 WeakPolarHBondContact CB-OG 3.32Å; F151-S154 VanDerWaalsContact O-CB 3.22Å; F151-S154 WeakPolarHBondContact O-CB 3.22Å; F151-S154 PolarHBondContact O-N 3.49Å; F151-S154 VanDerWaalsContact O-N 3.12Å; F151-S154 PolarHBondContact O-OG 2.83Å; G152-S154 PolarHBondContact O-N 3.05Å; S154-S156 PolarHBondContact O-N 2.8Å; S154-G185 CarbonylContact C-O 3.56Å; S154-G185 VanDerWaalsContact CA-O 3.26Å; S154-G185 WeakPolarHBondContact CA-O 3.48Å; S154-R187 PolarHBondContact O-NH2 3.44Å; S154-R187 PolarHBondContact OG-NE 3.15Å; S154-R187 VanDerWaalsContact OG-NE 3.17Å
155	L	98.2	Very high	98.2	Very high	2 Å²	2	16 Å²	16	1%	0.01	8%	0.083	C	C	.	.	B	Isolated β-bridge	trans	-80.4	116.5	-173.4	-177.2	142.9	0	0	0	111.6	H159 A160 G185 R187 S194 Y198 I201	L155-H159 HydrophobicContact CG-CB 4.47Å; L155-A160 HydrophobicContact CD2-CB 4.14Å; L155-A160 HydrophobicContact CG-CB 4.44Å; L155-G185 PolarHBondContact N-O 3.1Å; L155-R187 VanDerWaalsContact O-CB 3.27Å; L155-R187 WeakPolarHBondContact O-CB 3.36Å; L155-R187 PolarHBondContact O-N 3.07Å; L155-S194 WeakPolarHBondContact CD2-O 3.18Å; L155-S194 WeakPolarHBondContact O-CB 3.27Å; L155-S194 PolarHBondContact O-OG 2.8Å; L155-Y198 HydrophobicContact CB-CE1 4.34Å; L155-Y198 HydrophobicContact CB-CE2 4.24Å; L155-Y198 HydrophobicContact CD1-CD1 4.03Å; L155-Y198 HydrophobicContact CD1-CE1 3.7Å; L155-Y198 HydrophobicContact CD2-CD1 4.41Å; L155-Y198 HydrophobicContact CD2-CD2 4Å; L155-Y198 HydrophobicContact CD2-CE1 4.37Å; L155-Y198 HydrophobicContact CD2-CE2 3.99Å; L155-Y198 HydrophobicContact CD2-CG 4.21Å; L155-Y198 HydrophobicContact CG-CE1 4.36Å; L155-I201 HydrophobicContact CD1-CD1 3.67Å
156	S	98	Very high	98.2	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.083	C	C	.	.	P	Polyproline II helix	trans	-94.8	171	169.5	64.4	0	0	0	0	112	D127 S154 A158 H159 A160 E190	D127-S156 PolarHBondContact OD2-OG 3.43Å; S154-S156 PolarHBondContact O-N 2.8Å; S156-A158 PolarHBondContact O-N 3.36Å; S156-A158 PolarHBondContact OG-N 3.3Å; S156-H159 PolarHBondContact O-N 3.08Å; S156-H159 VanDerWaalsContact OG-CB 3.24Å; S156-H159 WeakPolarHBondContact OG-CB 3.29Å; S156-H159 PolarHBondContact OG-N 3.08Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 3.23Å; S156-E190 VanDerWaalsContact CA-OE2 3.23Å; S156-E190 WeakPolarHBondContact CA-OE2 3.45Å; S156-E190 WeakPolarHBondContact CB-OE2 3.26Å
157	G	97.9	Very high	98.2	Very high	3 Å²	3	16 Å²	16	3%	0.031	8%	0.082	C	C	.	.	H	α-helix	trans	-59.5	-34.9	167.6	0	0	0	0	0	112.7	Q161 E190	G157-Q161 WeakPolarHBondContact O-CB 3.28Å; G157-Q161 VanDerWaalsContact O-CG 3.22Å; G157-Q161 WeakPolarHBondContact O-CG 3.27Å; G157-Q161 PolarHBondContact O-N 3.4Å; G157-E190 PolarHBondContact N-OE2 2.87Å
158	A	98	Very high	98.2	Very high	3 Å²	3	18.4 Å²	18.4	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-70.8	-43.8	177	0	0	0	0	0	112.5	V108 H110 S156 A160 Q161 K162	V108-A158 HydrophobicContact CG1-CB 3.94Å; H110-A158 HydrophobicContact CB-CB 4.24Å; S156-A158 PolarHBondContact O-N 3.36Å; S156-A158 PolarHBondContact OG-N 3.3Å; A158-A160 VanDerWaalsContact C-N 3.34Å; A158-A160 PolarHBondContact O-N 3.13Å; A158-Q161 PolarHBondContact O-N 2.95Å; A158-K162 WeakPolarHBondContact O-CG 3.32Å; A158-K162 PolarHBondContact O-N 2.84Å; A158-K162 VanDerWaalsContact O-N 3.1Å
159	H	98.6	Very high	98.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-55.8	-49.1	172.8	179.1	130.4	0	0	0	110.7	S128 V129 Q146 L155 S156 K162 I163	S128-H159 PolarHBondContact OG-ND1 2.97Å; V129-H159 HydrophobicContact CG1-CB 4.1Å; Q146-H159 PolarHBondContact NE2-CE1 2.84Å; Q146-H159 PolarHBondContact NE2-NE2 3.15Å; L155-H159 HydrophobicContact CG-CB 4.47Å; S156-H159 PolarHBondContact O-N 3.08Å; S156-H159 VanDerWaalsContact OG-CB 3.24Å; S156-H159 WeakPolarHBondContact OG-CB 3.29Å; S156-H159 PolarHBondContact OG-N 3.08Å; H159-K162 PolarHBondContact O-N 2.84Å; H159-I163 WeakPolarHBondContact NE2-CD1 3.39Å; H159-I163 PolarHBondContact O-N 3.01Å; H159-I163 VanDerWaalsContact O-N 3.17Å
160	A	98.6	Very high	98.3	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.008	10%	0.099	C	C	.	.	H	α-helix	trans	-60.9	-46.6	178.2	0	0	0	0	0	112.1	L155 S156 A158 K162 I163 C164 G197 I201	L155-A160 HydrophobicContact CD2-CB 4.14Å; L155-A160 HydrophobicContact CG-CB 4.44Å; S156-A160 WeakPolarHBondContact O-CB 3.29Å; S156-A160 PolarHBondContact O-N 3.23Å; A158-A160 VanDerWaalsContact C-N 3.34Å; A158-A160 PolarHBondContact O-N 3.13Å; A160-K162 VanDerWaalsContact C-N 3.26Å; A160-K162 PolarHBondContact O-N 2.82Å; A160-I163 PolarHBondContact O-N 2.98Å; A160-I163 VanDerWaalsContact O-N 3.12Å; A160-C164 WeakPolarHBondContact O-CB 3.43Å; A160-C164 PolarHBondContact O-N 3.22Å; A160-C164 PolarHBondContact O-SG 2.86Å; A160-G197 WeakPolarHBondContact CB-O 3.41Å; A160-I201 HydrophobicContact CB-CD1 4.23Å
161	Q	98.6	Very high	98.3	Very high	86 Å²	86	22.2 Å²	22.2	40%	0.402	11%	0.114	S	C	.	.	H	α-helix	trans	-58	-35.7	177.4	-75.9	171.6	0.4	0	0	113	R111 G157 A158 K165	R111-Q161 VanDerWaalsContact NH2-CD 3.34Å; R111-Q161 VanDerWaalsContact NH2-NE2 3.15Å; G157-Q161 WeakPolarHBondContact O-CB 3.28Å; G157-Q161 VanDerWaalsContact O-CG 3.22Å; G157-Q161 WeakPolarHBondContact O-CG 3.27Å; G157-Q161 PolarHBondContact O-N 3.4Å; A158-Q161 PolarHBondContact O-N 2.95Å; Q161-K165 WeakPolarHBondContact O-CB 3.49Å; Q161-K165 PolarHBondContact O-N 2.84Å
162	K	98.8	Very high	98.4	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.009	14%	0.139	C	C	.	.	H	α-helix	trans	-66.2	-45.7	173.9	-66.5	-179.6	74.8	-177.2	0	112.4	D105 V108 G126 V129 T131 A158 H159 A160 K165 I166	D105-K162 HydrophobicContact CB-CD 4.04Å; D105-K162 VanDerWaalsContact CB-CE 3.43Å; D105-K162 HydrophobicContact CB-CG 3.85Å; D105-K162 VanDerWaalsContact O-CE 3.26Å; D105-K162 WeakPolarHBondContact O-CE 3.19Å; D105-K162 PolarHBondContact O-NZ 3.23Å; V108-K162 HydrophobicContact CB-CD 4.16Å; V108-K162 HydrophobicContact CB-CG 4.48Å; V108-K162 HydrophobicContact CG1-CD 4.18Å; V108-K162 HydrophobicContact CG1-CG 4.29Å; G126-K162 WeakPolarHBondContact O-CD 3.34Å; G126-K162 PolarHBondContact O-NZ 3.14Å; V129-K162 HydrophobicContact CG1-CB 4.16Å; V129-K162 HydrophobicContact CG1-CD 4.05Å; V129-K162 PolarHBondContact O-NZ 2.89Å; T131-K162 HydrophobicContact CG2-CB 3.79Å; T131-K162 VanDerWaalsContact OG1-CE 3.28Å; T131-K162 WeakPolarHBondContact OG1-CE 3.37Å; A158-K162 WeakPolarHBondContact O-CG 3.32Å; A158-K162 PolarHBondContact O-N 2.84Å; A158-K162 VanDerWaalsContact O-N 3.1Å; H159-K162 PolarHBondContact O-N 2.84Å; A160-K162 VanDerWaalsContact C-N 3.26Å; A160-K162 PolarHBondContact O-N 2.82Å; K162-K165 PolarHBondContact O-N 2.71Å; K162-I166 PolarHBondContact O-N 2.76Å
163	I	98.9	Very high	98.4	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-49.5	176.9	-65.4	178.9	0	0	0	110.1	V129 T131 F144 H159 A160 K165 I166 M167 I201	V129-I163 HydrophobicContact CG2-CD1 4.26Å; V129-I163 HydrophobicContact CG2-CG1 4.14Å; T131-I163 HydrophobicContact CG2-CG1 4.4Å; F144-I163 HydrophobicContact CB-CG1 4.05Å; F144-I163 HydrophobicContact CD1-CG1 4.43Å; F144-I163 HydrophobicContact CD1-CG2 3.93Å; F144-I163 HydrophobicContact CD2-CD1 3.7Å; F144-I163 HydrophobicContact CD2-CG1 4.1Å; F144-I163 HydrophobicContact CE1-CG2 3.96Å; F144-I163 HydrophobicContact CE2-CD1 3.93Å; F144-I163 HydrophobicContact CG-CD1 4.08Å; F144-I163 HydrophobicContact CG-CG1 3.97Å; F144-I163 HydrophobicContact CG-CG2 4.31Å; F144-I163 HydrophobicContact CZ-CD1 4.48Å; F144-I163 HydrophobicContact CZ-CG2 4.38Å; H159-I163 WeakPolarHBondContact NE2-CD1 3.39Å; H159-I163 PolarHBondContact O-N 3.01Å; H159-I163 VanDerWaalsContact O-N 3.17Å; A160-I163 PolarHBondContact O-N 2.98Å; A160-I163 VanDerWaalsContact O-N 3.12Å; I163-K165 VanDerWaalsContact C-N 3.3Å; I163-K165 PolarHBondContact O-N 2.61Å; I163-I166 WeakPolarHBondContact O-CG1 3.44Å; I163-I166 PolarHBondContact O-N 3.09Å; I163-I166 VanDerWaalsContact O-N 3.16Å; I163-M167 HydrophobicContact CG2-CG 4.32Å; I163-M167 HydrophobicContact CG2-SD 3.85Å; I163-M167 WeakPolarHBondContact O-CG 3.4Å; I163-M167 PolarHBondContact O-N 3.12Å; I163-I201 HydrophobicContact CB-CD1 4.08Å; I163-I201 HydrophobicContact CB-CG1 4.33Å; I163-I201 HydrophobicContact CD1-CD1 4Å; I163-I201 HydrophobicContact CG2-CD1 4Å; I163-I201 HydrophobicContact CG2-CG1 4.04Å; I163-I201 HydrophobicContact CG2-CG2 4.45Å
164	C	98.9	Very high	98.5	Very high	5 Å²	5	29.3 Å²	29.3	3%	0.034	16%	0.16	C	C	.	.	H	α-helix	trans	-53.5	-45.5	177.7	-72.3	0	0	0	0	112.4	A160 I166 M167 D168 R204	A160-C164 WeakPolarHBondContact O-CB 3.43Å; A160-C164 PolarHBondContact O-N 3.22Å; A160-C164 PolarHBondContact O-SG 2.86Å; C164-I166 PolarHBondContact O-N 3.41Å; C164-M167 PolarHBondContact O-N 2.68Å; C164-D168 PolarHBondContact O-N 3.33Å; C164-R204 PolarHBondContact O-NE 3.06Å
165	K	98.9	Very high	98.5	Very high	81 Å²	81	28.8 Å²	28.8	35%	0.352	16%	0.157	S	C	.	.	H	α-helix	trans	-58.4	-44.9	178.1	-178.3	-177.6	-65.7	175.3	0	112.7	T104 D105 Q161 K162 I163 Q169	T104-K165 HydrophobicContact CG2-CD 4.06Å; D105-K165 IonicContact OD1-NZ 2.81Å; D105-K165 PolarHBondContact OD1-NZ 2.82Å; D105-K165 WeakPolarHBondContact OD2-CD 3.41Å; D105-K165 VanDerWaalsContact OD2-CE 3.24Å; D105-K165 WeakPolarHBondContact OD2-CE 3.29Å; D105-K165 IonicContact OD2-NZ 3.54Å; D105-K165 PolarHBondContact OD2-NZ 3.15Å; Q161-K165 WeakPolarHBondContact O-CB 3.49Å; Q161-K165 PolarHBondContact O-N 2.84Å; K162-K165 PolarHBondContact O-N 2.71Å; I163-K165 VanDerWaalsContact C-N 3.3Å; I163-K165 PolarHBondContact O-N 2.61Å; K165-Q169 VanDerWaalsContact O-CG 3.28Å; K165-Q169 WeakPolarHBondContact O-CG 3.48Å; K165-Q169 PolarHBondContact O-N 3.1Å
166	I	98.8	Very high	98.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-73.6	-31.3	-179.8	65.3	165.1	0	0	0	112.4	T131 Y142 V143 F144 K162 I163 C164 Q169 A170	T131-I166 HydrophobicContact CG2-CD1 4.22Å; Y142-I166 HydrophobicContact CD1-CB 3.91Å; Y142-I166 HydrophobicContact CD1-CG2 4.37Å; V143-I166 VanDerWaalsContact C-CD1 3.4Å; V143-I166 WeakPolarHBondContact O-CD1 3.29Å; F144-I166 HydrophobicContact CB-CD1 3.81Å; F144-I166 HydrophobicContact CD1-CD1 4.21Å; K162-I166 PolarHBondContact O-N 2.76Å; I163-I166 WeakPolarHBondContact O-CG1 3.44Å; I163-I166 PolarHBondContact O-N 3.09Å; I163-I166 VanDerWaalsContact O-N 3.16Å; C164-I166 PolarHBondContact O-N 3.41Å; I166-Q169 PolarHBondContact O-N 3.23Å; I166-A170 VanDerWaalsContact O-CB 3.26Å; I166-A170 WeakPolarHBondContact O-CB 3.24Å; I166-A170 PolarHBondContact O-N 3.29Å
167	M	98.9	Very high	98.6	Very high	4 Å²	4	29 Å²	29	2%	0.02	16%	0.158	C	C	.	.	H	α-helix	trans	-65.7	-43.5	172.8	-67.6	178.5	80.9	0	0	111.4	I163 C164 Q169 A170 M171 V177 I201 R204 N205	I163-M167 HydrophobicContact CG2-CG 4.32Å; I163-M167 HydrophobicContact CG2-SD 3.85Å; I163-M167 WeakPolarHBondContact O-CG 3.4Å; I163-M167 PolarHBondContact O-N 3.12Å; C164-M167 PolarHBondContact O-N 2.68Å; M167-Q169 VanDerWaalsContact C-N 3.32Å; M167-Q169 PolarHBondContact O-N 2.74Å; M167-A170 PolarHBondContact O-N 2.8Å; M167-M171 WeakPolarHBondContact O-CB 3.49Å; M167-M171 WeakPolarHBondContact O-CG 3.46Å; M167-M171 PolarHBondContact O-N 2.93Å; M167-V177 HydrophobicContact CG-CG1 4.31Å; M167-V177 HydrophobicContact CG-CG2 4.45Å; M167-I201 HydrophobicContact SD-CG2 4.22Å; M167-R204 HydrophobicContact CB-CB 4.27Å; M167-R204 HydrophobicContact CE-CB 3.58Å; M167-R204 HydrophobicContact SD-CB 3.9Å; M167-N205 HydrophobicContact CE-CB 4.5Å; M167-N205 VanDerWaalsContact CE-ND2 3.33Å; M167-N205 WeakPolarHBondContact CE-ND2 3.23Å
168	D	98.9	Very high	98.6	Very high	66 Å²	66	28.9 Å²	28.9	35%	0.353	16%	0.157	S	C	.	.	H	α-helix	trans	-61.7	-41	175.5	-66.8	-22.2	0	0	0	111.1	C164 T172 R204	C164-D168 PolarHBondContact O-N 3.33Å; D168-T172 WeakPolarHBondContact O-CB 3.27Å; D168-T172 PolarHBondContact O-N 2.71Å; D168-T172 PolarHBondContact O-OG1 2.86Å; D168-R204 VanDerWaalsContact CG-NE 3.26Å; D168-R204 WeakPolarHBondContact OD1-CD 3.37Å; D168-R204 IonicContact OD1-CZ 2.71Å; D168-R204 IonicContact OD1-NE 2.72Å; D168-R204 PolarHBondContact OD1-NE 2.87Å; D168-R204 IonicContact OD1-NH2 2.68Å; D168-R204 IonicContact OD2-CZ 2.81Å; D168-R204 IonicContact OD2-NE 3.29Å; D168-R204 PolarHBondContact OD2-NE 3.49Å; D168-R204 VanDerWaalsContact OD2-NE 3.15Å; D168-R204 IonicContact OD2-NH2 2.79Å; D168-R204 PolarHBondContact OD2-NH2 2.93Å
169	Q	98.7	Very high	98.7	Very high	67 Å²	67	28.9 Å²	28.9	31%	0.313	16%	0.157	S	C	.	.	H	α-helix	trans	-66.3	-43.6	175.1	-73.4	177.3	0.9	0	0	112.6	Y142 K165 I166 M167 T172 V173	Y142-Q169 HydrophobicContact CD1-CB 4.46Å; Y142-Q169 HydrophobicContact CE1-CB 3.64Å; K165-Q169 VanDerWaalsContact O-CG 3.28Å; K165-Q169 WeakPolarHBondContact O-CG 3.48Å; K165-Q169 PolarHBondContact O-N 3.1Å; I166-Q169 PolarHBondContact O-N 3.23Å; M167-Q169 VanDerWaalsContact C-N 3.32Å; M167-Q169 PolarHBondContact O-N 2.74Å; Q169-T172 WeakPolarHBondContact O-CB 3.28Å; Q169-T172 PolarHBondContact O-N 3.45Å; Q169-V173 WeakPolarHBondContact O-CG2 3.26Å; Q169-V173 PolarHBondContact O-N 2.6Å
170	A	98.8	Very high	98.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-44.3	177.9	0	0	0	0	0	111.9	Y142 I166 M167 T172 V173 G174 A175 V177 I212	Y142-A170 HydrophobicContact CD2-CB 3.52Å; Y142-A170 HydrophobicContact CE2-CB 4.16Å; Y142-A170 HydrophobicContact CG-CB 3.74Å; I166-A170 VanDerWaalsContact O-CB 3.26Å; I166-A170 WeakPolarHBondContact O-CB 3.24Å; I166-A170 PolarHBondContact O-N 3.29Å; M167-A170 PolarHBondContact O-N 2.8Å; A170-T172 VanDerWaalsContact C-N 3.33Å; A170-T172 PolarHBondContact O-N 3.35Å; A170-V173 PolarHBondContact O-N 3.18Å; A170-G174 PolarHBondContact O-N 3.36Å; A170-A175 WeakPolarHBondContact CB-O 3.43Å; A170-A175 PolarHBondContact O-N 3.47Å; A170-V177 HydrophobicContact CB-CG2 3.35Å; A170-I212 HydrophobicContact CB-CD1 3.81Å
171	M	98.4	Very high	98.7	Very high	66 Å²	66	29.1 Å²	29.1	33%	0.325	16%	0.158	S	C	.	.	H	α-helix	trans	-61.3	-39.3	172.6	-77.4	-67	-75.5	0	0	112.6	M167 V173 L207 A208 V211 I212	M167-M171 WeakPolarHBondContact O-CB 3.49Å; M167-M171 WeakPolarHBondContact O-CG 3.46Å; M167-M171 PolarHBondContact O-N 2.93Å; M171-V173 VanDerWaalsContact C-N 3.29Å; M171-V173 PolarHBondContact O-N 2.73Å; M171-L207 VanDerWaalsContact CE-O 3.25Å; M171-L207 WeakPolarHBondContact CE-O 3.4Å; M171-A208 HydrophobicContact CE-CB 4.39Å; M171-A208 HydrophobicContact CG-CB 4.16Å; M171-A208 VanDerWaalsContact SD-CA 3.52Å; M171-A208 HydrophobicContact SD-CB 3.53Å; M171-A208 VanDerWaalsContact SD-CB 3.53Å; M171-V211 HydrophobicContact CE-CB 4.01Å; M171-V211 HydrophobicContact CE-CG1 3.79Å; M171-V211 HydrophobicContact CE-CG2 4.29Å; M171-V211 HydrophobicContact SD-CB 4.07Å; M171-V211 HydrophobicContact SD-CG1 3.94Å; M171-I212 HydrophobicContact CG-CD1 3.79Å; M171-I212 HydrophobicContact CG-CG1 4.5Å; M171-I212 HydrophobicContact SD-CD1 3.64Å; M171-I212 HydrophobicContact SD-CG1 3.7Å; M171-I212 HydrophobicContact SD-CG2 4.34Å
172	T	98.3	Very high	98.7	Very high	119 Å²	119	25 Å²	25	73%	0.73	14%	0.139	S	C	*	.	H	α-helix	trans	-65.3	-31.5	179.9	-59.7	0	0	0	0	112.7	D168 Q169 A170	D168-T172 WeakPolarHBondContact O-CB 3.27Å; D168-T172 PolarHBondContact O-N 2.71Å; D168-T172 PolarHBondContact O-OG1 2.86Å; Q169-T172 WeakPolarHBondContact O-CB 3.28Å; Q169-T172 PolarHBondContact O-N 3.45Å; A170-T172 VanDerWaalsContact C-N 3.33Å; A170-T172 PolarHBondContact O-N 3.35Å
173	V	97.9	Very high	98.5	Very high	81 Å²	81	25 Å²	25	49%	0.491	14%	0.138	S	C	.	.	H	α-helix	trans	-108.9	-1.9	-175.4	-52.6	0	0	0	0	114.7	L140 Y142 Q169 A170 M171 A175	L140-V173 HydrophobicContact CD2-CG2 3.89Å; Y142-V173 HydrophobicContact CE2-CG2 3.74Å; Q169-V173 WeakPolarHBondContact O-CG2 3.26Å; Q169-V173 PolarHBondContact O-N 2.6Å; A170-V173 PolarHBondContact O-N 3.18Å; M171-V173 VanDerWaalsContact C-N 3.29Å; M171-V173 PolarHBondContact O-N 2.73Å; V173-A175 HydrophobicContact CG2-CB 3.91Å
174	G	98.1	Very high	98.3	Very high	17 Å²	17	27.2 Å²	27.2	18%	0.175	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	51.3	-177.7	0	0	0	0	0	113.2	A170 L302	A170-G174 PolarHBondContact O-N 3.36Å; G174-L302 CarbonylContact O-C 3.54Å; G174-L302 WeakPolarHBondContact O-CB 3.33Å
175	A	98.4	Very high	98.1	Very high	1 Å²	1	27 Å²	27	1%	0.008	16%	0.161	C	C	.	.			trans	-124.3	148.6	177.8	0	0	0	0	0	112.3	L140 Y142 A170 V173 I212	L140-A175 HydrophobicContact CB-CB 4.45Å; L140-A175 HydrophobicContact CD2-CB 3.92Å; L140-A175 HydrophobicContact CG-CB 3.88Å; Y142-A175 HydrophobicContact CD2-CB 3.98Å; Y142-A175 HydrophobicContact CE2-CB 4.15Å; A170-A175 WeakPolarHBondContact CB-O 3.43Å; A170-A175 PolarHBondContact O-N 3.47Å; V173-A175 HydrophobicContact CG2-CB 3.91Å; A175-I212 WeakPolarHBondContact O-CB 3.48Å; A175-I212 WeakPolarHBondContact O-CD1 3.23Å; A175-I212 WeakPolarHBondContact O-CG2 3.47Å
176	P	98.8	Very high	98	Very high	1 Å²	1	25 Å²	25	1%	0.006	16%	0.159	C	C	.	.			trans	-64	156.2	178.6	-20.8	32.8	0	0	0	113.4	V141 Y142 P213 F297 L302	V141-P176 HydrophobicContact CG2-CB 4.38Å; Y142-P176 PolarHBondContact N-O 2.96Å; P176-P213 VanDerWaalsContact CA-O 3.25Å; P176-P213 WeakPolarHBondContact CA-O 3.34Å; P176-P213 HydrophobicContact CB-CB 4.21Å; P176-P213 HydrophobicContact CB-CG 4.44Å; P176-P213 WeakPolarHBondContact CB-O 3.22Å; P176-P213 HydrophobicContact CG-CB 4.46Å; P176-P213 HydrophobicContact CG-CG 4.19Å; P176-F297 HydrophobicContact CB-CE2 3.94Å; P176-F297 HydrophobicContact CG-CE2 3.73Å; P176-F297 HydrophobicContact CG-CZ 4.05Å; P176-L302 WeakPolarHBondContact CD-O 3.45Å; P176-L302 HydrophobicContact CG-CD2 3.91Å
177	V	98.9	Very high	98	Very high	6 Å²	6	25 Å²	25	4%	0.036	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129.1	171.5	178.1	0	0	0	0	110.2	Y142 F144 M167 A170 I212 P213 Q214 I215	Y142-V177 WeakPolarHBondContact O-CA 3.27Å; F144-V177 HydrophobicContact CD1-CG1 4.24Å; F144-V177 HydrophobicContact CE1-CG1 4.16Å; M167-V177 HydrophobicContact CG-CG1 4.31Å; M167-V177 HydrophobicContact CG-CG2 4.45Å; A170-V177 HydrophobicContact CB-CG2 3.35Å; V177-I212 HydrophobicContact CG2-CD1 3.92Å; V177-P213 PolarHBondContact N-O 3.19Å; V177-Q214 WeakPolarHBondContact O-CA 3.32Å; V177-I215 PolarHBondContact O-N 3.48Å
178	I	98.9	Very high	97.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	124.7	172.6	-60.5	177.7	0	0	0	109.7	L95 I136 V141 Y142 V143 F144 L180 I215 L293 F297	L95-I178 HydrophobicContact CD1-CD1 4.49Å; L95-I178 HydrophobicContact CD2-CB 4.46Å; L95-I178 HydrophobicContact CD2-CD1 4.07Å; L95-I178 HydrophobicContact CD2-CG2 3.94Å; I136-I178 HydrophobicContact CD1-CD1 3.74Å; V141-I178 HydrophobicContact CG2-CD1 3.76Å; V141-I178 HydrophobicContact CG2-CG1 3.86Å; Y142-I178 PolarHBondContact O-N 3.3Å; V143-I178 WeakPolarHBondContact CA-O 3.28Å; V143-I178 HydrophobicContact CG2-CB 4.42Å; F144-I178 PolarHBondContact N-O 3.38Å; I178-L180 HydrophobicContact CG2-CD2 3.66Å; I178-L180 HydrophobicContact CG2-CG 4.29Å; I178-I215 CarbonylContact C-O 3.53Å; I178-I215 WeakPolarHBondContact CA-O 3.41Å; I178-I215 HydrophobicContact CG1-CB 4.44Å; I178-L293 HydrophobicContact CD1-CD2 4.27Å; I178-L293 HydrophobicContact CD1-CG 4.42Å; I178-L293 HydrophobicContact CG2-CD2 3.88Å; I178-F297 HydrophobicContact CD1-CD2 4.34Å
179	G	98.8	Very high	97.7	Very high	2 Å²	2	32 Å²	32	2%	0.021	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	119.7	171.2	0	0	0	0	0	111.5	F144 I215 S216 L217	F144-G179 VanDerWaalsContact CE1-CA 3.44Å; G179-I215 PolarHBondContact N-O 3.14Å; G179-S216 WeakPolarHBondContact O-CA 3.15Å; G179-L217 PolarHBondContact O-N 2.86Å
180	L	98.9	Very high	97.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	99.2	173	-50.6	-176.9	0	0	0	108.2	R91 V92 L95 V143 F144 Q146 I178 L217 M219 L290 L293	R91-L180 HydrophobicContact CB-CD1 3.88Å; V92-L180 HydrophobicContact CG2-CD1 4.45Å; L95-L180 HydrophobicContact CD2-CD1 4.13Å; L95-L180 HydrophobicContact CD2-CD2 4.34Å; V143-L180 HydrophobicContact CG2-CD1 4.26Å; V143-L180 HydrophobicContact CG2-CG 4.27Å; F144-L180 PolarHBondContact O-N 3.12Å; Q146-L180 PolarHBondContact N-O 3.11Å; I178-L180 HydrophobicContact CG2-CD2 3.66Å; I178-L180 HydrophobicContact CG2-CG 4.29Å; L180-L217 HydrophobicContact CD2-CB 3.91Å; L180-L217 HydrophobicContact CD2-CD2 4.11Å; L180-L217 HydrophobicContact CD2-CG 4.46Å; L180-M219 HydrophobicContact CB-SD 4.26Å; L180-M219 HydrophobicContact CD2-SD 4.24Å; L180-L290 HydrophobicContact CD1-CD2 4.19Å; L180-L290 HydrophobicContact CD2-CD2 4.03Å; L180-L293 HydrophobicContact CD2-CD2 4.5Å
181	N	98.8	Very high	97.4	Very high	7 Å²	7	31.7 Å²	31.7	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.5	-167	-69.1	104.7	0	0	0	112.4	Q146 L217 I218 M219	Q146-N181 PolarHBondContact OE1-ND2 2.75Å; Q146-N181 VanDerWaalsContact OE1-ND2 3.15Å; N181-L217 PolarHBondContact N-O 3.37Å; N181-I218 HydrophobicContact CB-CD1 3.81Å; N181-M219 PolarHBondContact O-N 3.07Å
182	D	98.3	Very high	97.3	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	77.6	179.8	-168	-3.5	0	0	0	108.5	Q80 K85 R91 F148 G220 P221	Q80-D182 PolarHBondContact NE2-OD2 3.32Å; K85-D182 VanDerWaalsContact CE-OD2 3.27Å; K85-D182 WeakPolarHBondContact CE-OD2 3.44Å; K85-D182 IonicContact NZ-OD1 3.22Å; K85-D182 PolarHBondContact NZ-OD1 2.91Å; K85-D182 IonicContact NZ-OD2 3.91Å; K85-D182 PolarHBondContact NZ-OD2 3.16Å; R91-D182 IonicContact CZ-OD2 2.87Å; R91-D182 IonicContact NH1-OD2 3.81Å; R91-D182 PolarHBondContact NH1-OD2 3.08Å; R91-D182 IonicContact NH2-OD2 3.84Å; F148-D182 HydrophobicContact CB-CB 4.49Å; F148-D182 WeakPolarHBondContact CB-OD1 3.4Å; F148-D182 VanDerWaalsContact CD2-OD1 3.28Å; F148-D182 WeakPolarHBondContact CD2-OD1 3.24Å; F148-D182 WeakPolarHBondContact CG-OD1 3.36Å; D182-G220 WeakPolarHBondContact OD1-CA 3.46Å; D182-P221 VanDerWaalsContact OD1-CD 3.22Å; D182-P221 WeakPolarHBondContact OD1-CD 3.1Å
183	S	96.3	Very high	97.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	128.8	-167	-178.9	0	0	0	0	112.9	G153 G185 P221	G153-S183 VanDerWaalsContact O-CB 3.28Å; G153-S183 WeakPolarHBondContact O-CB 3.49Å; G153-S183 PolarHBondContact O-OG 2.78Å; S183-G185 PolarHBondContact O-N 3.24Å; S183-G185 VanDerWaalsContact O-N 3.08Å; S183-G185 PolarHBondContact OG-N 3.23Å; S183-P221 CarbonylContact C-O 3.58Å; S183-P221 PolarHBondContact N-O 3.08Å; S183-P221 CarbonylContact O-C 3.59Å; S183-P221 VanDerWaalsContact O-C 3.27Å
184	G	93.9	Very high	97.2	Very high	48 Å²	48	28.5 Å²	28.5	50%	0.495	18%	0.181	S	C	.	.			trans	-65.7	-1.8	170.8	0	0	0	0	0	115	G152	G152-G184 PolarHBondContact O-N 2.72Å
185	G	95.4	Very high	97.2	Very high	2 Å²	2	32.7 Å²	32.7	2%	0.021	20%	0.199	C	C	.	.	S	Bend	trans	107.8	-143.9	177.4	0	0	0	0	0	113.6	S154 L155 S183 Y198 A223	S154-G185 CarbonylContact C-O 3.56Å; S154-G185 VanDerWaalsContact CA-O 3.26Å; S154-G185 WeakPolarHBondContact CA-O 3.48Å; L155-G185 PolarHBondContact N-O 3.1Å; S183-G185 PolarHBondContact O-N 3.24Å; S183-G185 VanDerWaalsContact O-N 3.08Å; S183-G185 PolarHBondContact OG-N 3.23Å; G185-Y198 WeakPolarHBondContact CA-OH 3.35Å; G185-Y198 PolarHBondContact O-OH 3.11Å; G185-A223 WeakPolarHBondContact CA-O 3.48Å
186	A	96.6	Very high	97.2	Very high	38 Å²	38	34.8 Å²	34.8	31%	0.314	22%	0.216	S	C	.	.	B	Isolated β-bridge	trans	-63.7	140.8	-177.7	0	0	0	0	0	112.2	I188 S194 Y198	A186-I188 PolarHBondContact O-N 3.24Å; A186-I188 VanDerWaalsContact O-N 3.08Å; A186-S194 WeakPolarHBondContact CA-OG 3.17Å; A186-S194 WeakPolarHBondContact CB-OG 3.25Å; A186-Y198 HydrophobicContact CB-CE2 3.91Å; A186-Y198 PolarHBondContact N-OH 3.43Å
187	R	97.4	Very high	97.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.217	C	C	.	.			trans	-78.3	92.9	166.9	-169.8	172.2	-61.4	165.1	11.1	109.2	D127 S128 S154 L155 Q189 E190 S194	D127-R187 IonicContact OD1-CZ 2.88Å; D127-R187 IonicContact OD1-NH1 2.7Å; D127-R187 PolarHBondContact OD1-NH1 3.22Å; D127-R187 IonicContact OD1-NH2 2.84Å; D127-R187 PolarHBondContact OD1-NH2 3.49Å; D127-R187 IonicContact OD2-CZ 2.69Å; D127-R187 IonicContact OD2-NH1 2.78Å; D127-R187 PolarHBondContact OD2-NH1 2.84Å; D127-R187 IonicContact OD2-NH2 3.6Å; D127-R187 PolarHBondContact OD2-NH2 3.37Å; S128-R187 PolarHBondContact OG-NH2 2.88Å; S128-R187 VanDerWaalsContact OG-NH2 3.1Å; S154-R187 PolarHBondContact O-NH2 3.44Å; S154-R187 PolarHBondContact OG-NE 3.15Å; S154-R187 VanDerWaalsContact OG-NE 3.17Å; L155-R187 VanDerWaalsContact O-CB 3.27Å; L155-R187 WeakPolarHBondContact O-CB 3.36Å; L155-R187 PolarHBondContact O-N 3.07Å; R187-Q189 HydrophobicContact CG-CB 4.4Å; R187-Q189 VanDerWaalsContact CG-OE1 3.31Å; R187-Q189 PolarHBondContact O-N 2.93Å; R187-Q189 VanDerWaalsContact O-N 3.08Å; R187-E190 HydrophobicContact CB-CG 4.33Å; R187-E190 HydrophobicContact CG-CG 4.05Å; R187-E190 IonicContact NH1-OE1 3.53Å; R187-E190 PolarHBondContact O-N 3.5Å; R187-S194 PolarHBondContact N-OG 3.17Å; R187-S194 VanDerWaalsContact N-OG 3.11Å
188	I	95.8	Very high	97.1	Very high	143 Å²	143	35.2 Å²	35.2	73%	0.733	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-51.8	-35.1	-175.1	-59.3	174.4	0	0	0	112	A186 E190 G191	A186-I188 PolarHBondContact O-N 3.24Å; A186-I188 VanDerWaalsContact O-N 3.08Å; I188-E190 PolarHBondContact O-N 3.45Å; I188-G191 PolarHBondContact O-N 3.45Å
189	Q	96.2	Very high	97.1	Very high	74 Å²	74	37.8 Å²	37.8	35%	0.346	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-60.8	-25.6	178.7	-62.8	79.4	2.6	0	0	113.6	C112 F115 M117 R187	C112-Q189 PolarHBondContact SG-O 3.4Å; F115-Q189 HydrophobicContact CB-CG 4.22Å; F115-Q189 HydrophobicContact CD2-CB 3.98Å; F115-Q189 HydrophobicContact CD2-CG 4.26Å; M117-Q189 HydrophobicContact CG-CB 3.83Å; M117-Q189 HydrophobicContact CG-CG 4.09Å; M117-Q189 HydrophobicContact SD-CB 4.21Å; M117-Q189 HydrophobicContact SD-CG 4.07Å; R187-Q189 HydrophobicContact CG-CB 4.4Å; R187-Q189 VanDerWaalsContact CG-OE1 3.31Å; R187-Q189 PolarHBondContact O-N 2.93Å; R187-Q189 VanDerWaalsContact O-N 3.08Å
190	E	95.9	Very high	97.1	Very high	20 Å²	20	41.1 Å²	41.1	9%	0.093	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-96.2	-0.5	177.8	-46.3	-158.2	160.1	0	0	112.9	H110 C112 S156 G157 R187 I188 V192 E193	H110-E190 WeakPolarHBondContact CB-OE1 3.15Å; H110-E190 IonicContact CG-OE1 2.75Å; H110-E190 IonicContact ND1-OE1 3.15Å; H110-E190 PolarHBondContact ND1-OE1 2.98Å; C112-E190 HydrophobicContact CB-CG 3.71Å; C112-E190 WeakPolarHBondContact CB-OE1 3.25Å; S156-E190 VanDerWaalsContact CA-OE2 3.23Å; S156-E190 WeakPolarHBondContact CA-OE2 3.45Å; S156-E190 WeakPolarHBondContact CB-OE2 3.26Å; G157-E190 PolarHBondContact N-OE2 2.87Å; R187-E190 HydrophobicContact CB-CG 4.33Å; R187-E190 HydrophobicContact CG-CG 4.05Å; R187-E190 IonicContact NH1-OE1 3.53Å; R187-E190 PolarHBondContact O-N 3.5Å; I188-E190 PolarHBondContact O-N 3.45Å; E190-V192 PolarHBondContact O-N 3.03Å; E190-V192 VanDerWaalsContact O-N 3.17Å; E190-E193 HydrophobicContact CB-CB 4.22Å; E190-E193 WeakPolarHBondContact O-CB 3.26Å; E190-E193 PolarHBondContact O-N 3.08Å; E190-E193 VanDerWaalsContact O-N 3.12Å
191	G	96	Very high	97.1	Very high	41 Å²	41	41.3 Å²	41.3	42%	0.423	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	-119.2	176.1	0	0	0	0	0	113.6	I188 E193 S194	I188-G191 PolarHBondContact O-N 3.45Å; G191-E193 VanDerWaalsContact C-N 3.32Å; G191-E193 PolarHBondContact O-N 2.82Å; G191-S194 WeakPolarHBondContact O-CB 3.35Å; G191-S194 PolarHBondContact O-N 3.17Å
192	V	96.6	Very high	97.1	Very high	117 Å²	117	43.1 Å²	43.1	71%	0.709	27%	0.265	S	S	*	.	H	α-helix	trans	-68.8	-24.3	-175.4	73.7	0	0	0	0	113.8	E190 S194 L195 A196	E190-V192 PolarHBondContact O-N 3.03Å; E190-V192 VanDerWaalsContact O-N 3.17Å; V192-S194 VanDerWaalsContact C-N 3.28Å; V192-S194 PolarHBondContact O-N 3.27Å; V192-L195 PolarHBondContact O-N 3.13Å; V192-L195 VanDerWaalsContact O-N 3.12Å; V192-A196 PolarHBondContact O-N 3.45Å
193	E	96.9	Very high	97.1	Very high	81 Å²	81	47.7 Å²	47.7	38%	0.379	29%	0.289	S	S	.	.	H	α-helix	trans	-62.7	-37.2	176	-179.5	79.2	171.5	0	0	110.6	R111 E190 G191 A196 G197	R111-E193 IonicContact NH2-OE1 3.61Å; E190-E193 HydrophobicContact CB-CB 4.22Å; E190-E193 WeakPolarHBondContact O-CB 3.26Å; E190-E193 PolarHBondContact O-N 3.08Å; E190-E193 VanDerWaalsContact O-N 3.12Å; G191-E193 VanDerWaalsContact C-N 3.32Å; G191-E193 PolarHBondContact O-N 2.82Å; E193-A196 PolarHBondContact O-N 3.32Å; E193-G197 PolarHBondContact O-N 3.06Å
194	S	96.9	Very high	97.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.7	-39.6	173.9	-174	0	0	0	0	111.9	L155 A186 R187 G191 V192 G197 Y198	L155-S194 WeakPolarHBondContact CD2-O 3.18Å; L155-S194 WeakPolarHBondContact O-CB 3.27Å; L155-S194 PolarHBondContact O-OG 2.8Å; A186-S194 WeakPolarHBondContact CA-OG 3.17Å; A186-S194 WeakPolarHBondContact CB-OG 3.25Å; R187-S194 PolarHBondContact N-OG 3.17Å; R187-S194 VanDerWaalsContact N-OG 3.11Å; G191-S194 WeakPolarHBondContact O-CB 3.35Å; G191-S194 PolarHBondContact O-N 3.17Å; V192-S194 VanDerWaalsContact C-N 3.28Å; V192-S194 PolarHBondContact O-N 3.27Å; S194-G197 PolarHBondContact O-N 2.98Å; S194-Y198 VanDerWaalsContact O-CD2 3.26Å; S194-Y198 WeakPolarHBondContact O-CD2 3.42Å; S194-Y198 PolarHBondContact O-N 3.03Å; S194-Y198 VanDerWaalsContact O-N 3.08Å
195	L	97.3	Very high	97.5	Very high	106 Å²	106	48 Å²	48	56%	0.555	28%	0.276	S	S	*	.	H	α-helix	trans	-70.4	-38.7	177.4	-59.5	-179.4	0	0	0	112.4	V192 G197 Y198 A199	V192-L195 PolarHBondContact O-N 3.13Å; V192-L195 VanDerWaalsContact O-N 3.12Å; L195-G197 VanDerWaalsContact C-N 3.34Å; L195-Y198 WeakPolarHBondContact O-CB 3.49Å; L195-Y198 PolarHBondContact O-N 2.75Å; L195-A199 PolarHBondContact O-N 3.27Å; L195-A199 VanDerWaalsContact O-N 3.09Å
196	A	98.3	Very high	97.7	Very high	45 Å²	45	52 Å²	52	37%	0.372	30%	0.3	S	S	.	.	H	α-helix	trans	-61.6	-44.5	172.1	0	0	0	0	0	110.9	V192 E193 Y198 A199 D200	V192-A196 PolarHBondContact O-N 3.45Å; E193-A196 PolarHBondContact O-N 3.32Å; A196-Y198 VanDerWaalsContact C-N 3.31Å; A196-Y198 PolarHBondContact O-N 3.3Å; A196-A199 PolarHBondContact O-N 2.88Å; A196-A199 VanDerWaalsContact O-N 3.1Å; A196-D200 PolarHBondContact O-N 3Å
197	G	98.3	Very high	97.8	Very high	3 Å²	3	55.4 Å²	55.4	3%	0.031	31%	0.312	C	S	.	.	H	α-helix	trans	-57.9	-38.6	174.6	0	0	0	0	0	113.9	A160 E193 S194 L195 I201	A160-G197 WeakPolarHBondContact CB-O 3.41Å; E193-G197 PolarHBondContact O-N 3.06Å; S194-G197 PolarHBondContact O-N 2.98Å; L195-G197 VanDerWaalsContact C-N 3.34Å; G197-I201 WeakPolarHBondContact O-CG1 3.16Å; G197-I201 PolarHBondContact O-N 3.29Å
198	Y	98.4	Very high	97.8	Very high	12 Å²	12	55.5 Å²	55.5	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-62.9	-48.4	171	-84.6	-59.1	0	0	0	112.6	L155 G185 A186 S194 L195 A196 D200 I201 F202 A226	L155-Y198 HydrophobicContact CB-CE1 4.34Å; L155-Y198 HydrophobicContact CB-CE2 4.24Å; L155-Y198 HydrophobicContact CD1-CD1 4.03Å; L155-Y198 HydrophobicContact CD1-CE1 3.7Å; L155-Y198 HydrophobicContact CD2-CD1 4.41Å; L155-Y198 HydrophobicContact CD2-CD2 4Å; L155-Y198 HydrophobicContact CD2-CE1 4.37Å; L155-Y198 HydrophobicContact CD2-CE2 3.99Å; L155-Y198 HydrophobicContact CD2-CG 4.21Å; L155-Y198 HydrophobicContact CG-CE1 4.36Å; G185-Y198 WeakPolarHBondContact CA-OH 3.35Å; G185-Y198 PolarHBondContact O-OH 3.11Å; A186-Y198 HydrophobicContact CB-CE2 3.91Å; A186-Y198 PolarHBondContact N-OH 3.43Å; S194-Y198 VanDerWaalsContact O-CD2 3.26Å; S194-Y198 WeakPolarHBondContact O-CD2 3.42Å; S194-Y198 PolarHBondContact O-N 3.03Å; S194-Y198 VanDerWaalsContact O-N 3.08Å; L195-Y198 WeakPolarHBondContact O-CB 3.49Å; L195-Y198 PolarHBondContact O-N 2.75Å; A196-Y198 VanDerWaalsContact C-N 3.31Å; A196-Y198 PolarHBondContact O-N 3.3Å; Y198-D200 VanDerWaalsContact C-N 3.31Å; Y198-D200 PolarHBondContact O-N 3.33Å; Y198-I201 PolarHBondContact O-N 2.85Å; Y198-I201 VanDerWaalsContact O-N 3.16Å; Y198-F202 AromaticContact CD1-CE1 3.99Å; Y198-F202 HydrophobicContact CD1-CE1 3.99Å; Y198-F202 AromaticContact CD1-CZ 3.77Å; Y198-F202 HydrophobicContact CD1-CZ 3.77Å; Y198-F202 AromaticContact CG-CZ 3.99Å; Y198-F202 HydrophobicContact CG-CZ 3.99Å; Y198-F202 VanDerWaalsContact O-CD1 3.32Å; Y198-F202 WeakPolarHBondContact O-CD1 3.45Å; Y198-F202 WeakPolarHBondContact O-CD2 3.3Å; Y198-F202 WeakPolarHBondContact O-CG 3.42Å; Y198-F202 PolarHBondContact O-N 3.4Å; Y198-A226 HydrophobicContact CE1-CB 4.11Å
199	A	98.5	Very high	98	Very high	54 Å²	54	52 Å²	52	45%	0.446	30%	0.3	S	S	.	.	H	α-helix	trans	-60.8	-38.9	-179.7	0	0	0	0	0	112.5	L195 A196 I201 F202 L203	L195-A199 PolarHBondContact O-N 3.27Å; L195-A199 VanDerWaalsContact O-N 3.09Å; A196-A199 PolarHBondContact O-N 2.88Å; A196-A199 VanDerWaalsContact O-N 3.1Å; A199-I201 VanDerWaalsContact C-N 3.32Å; A199-I201 PolarHBondContact O-N 2.79Å; A199-F202 PolarHBondContact O-N 3.07Å; A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 2.94Å
200	D	98.6	Very high	98.1	Very high	72 Å²	72	49.2 Å²	49.2	39%	0.385	29%	0.292	S	S	.	.	H	α-helix	trans	-63	-34.4	176	-84	-22	0	0	0	113.2	A196 Y198 R204	A196-D200 PolarHBondContact O-N 3Å; Y198-D200 VanDerWaalsContact C-N 3.31Å; Y198-D200 PolarHBondContact O-N 3.33Å; D200-R204 WeakPolarHBondContact O-CD 3.48Å; D200-R204 WeakPolarHBondContact O-CG 3.34Å; D200-R204 PolarHBondContact O-NH1 3.38Å
201	I	98.9	Very high	98.2	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-73.5	-46.8	173.3	-66.6	169.9	0	0	0	110.2	L155 A160 I163 M167 G197 Y198 A199 L203 R204 N205	L155-I201 HydrophobicContact CD1-CD1 3.67Å; A160-I201 HydrophobicContact CB-CD1 4.23Å; I163-I201 HydrophobicContact CB-CD1 4.08Å; I163-I201 HydrophobicContact CB-CG1 4.33Å; I163-I201 HydrophobicContact CD1-CD1 4Å; I163-I201 HydrophobicContact CG2-CD1 4Å; I163-I201 HydrophobicContact CG2-CG1 4.04Å; I163-I201 HydrophobicContact CG2-CG2 4.45Å; M167-I201 HydrophobicContact SD-CG2 4.22Å; G197-I201 WeakPolarHBondContact O-CG1 3.16Å; G197-I201 PolarHBondContact O-N 3.29Å; Y198-I201 PolarHBondContact O-N 2.85Å; Y198-I201 VanDerWaalsContact O-N 3.16Å; A199-I201 VanDerWaalsContact C-N 3.32Å; A199-I201 PolarHBondContact O-N 2.79Å; I201-L203 VanDerWaalsContact C-N 3.31Å; I201-L203 PolarHBondContact O-N 2.91Å; I201-R204 CarbonylContact O-C 3.5Å; I201-R204 WeakPolarHBondContact O-CA 3.28Å; I201-R204 WeakPolarHBondContact O-CB 3.23Å; I201-R204 PolarHBondContact O-N 3.41Å; I201-N205 PolarHBondContact O-N 2.95Å; I201-N205 PolarHBondContact O-OD1 2.94Å
202	F	98.8	Very high	98.4	Very high	44 Å²	44	48.6 Å²	48.6	19%	0.193	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-41.3	-178.8	-55.9	-24.1	0	0	0	111.9	Y198 A199 R204 N205 V206 G225 Y228 L232	Y198-F202 AromaticContact CD1-CE1 3.99Å; Y198-F202 HydrophobicContact CD1-CE1 3.99Å; Y198-F202 AromaticContact CD1-CZ 3.77Å; Y198-F202 HydrophobicContact CD1-CZ 3.77Å; Y198-F202 AromaticContact CG-CZ 3.99Å; Y198-F202 HydrophobicContact CG-CZ 3.99Å; Y198-F202 VanDerWaalsContact O-CD1 3.32Å; Y198-F202 WeakPolarHBondContact O-CD1 3.45Å; Y198-F202 WeakPolarHBondContact O-CD2 3.3Å; Y198-F202 WeakPolarHBondContact O-CG 3.42Å; Y198-F202 PolarHBondContact O-N 3.4Å; A199-F202 PolarHBondContact O-N 3.07Å; F202-R204 VanDerWaalsContact C-N 3.27Å; F202-R204 PolarHBondContact O-N 2.89Å; F202-N205 PolarHBondContact O-N 2.87Å; F202-V206 WeakPolarHBondContact O-CG2 3.43Å; F202-V206 PolarHBondContact O-N 2.69Å; F202-G225 VanDerWaalsContact CZ-O 3.27Å; F202-G225 WeakPolarHBondContact CZ-O 3.49Å; F202-Y228 HydrophobicContact CZ-CD2 4.36Å; F202-L232 HydrophobicContact CB-CD1 4.03Å; F202-L232 HydrophobicContact CD1-CD1 4.46Å; F202-L232 HydrophobicContact CG-CD1 4.41Å
203	L	98.9	Very high	98.5	Very high	96 Å²	96	43 Å²	43	50%	0.503	25%	0.248	S	C	.	.	H	α-helix	trans	-57.3	-43.2	174.5	177.2	59.4	0	0	0	111.1	A199 I201 V206 L207	A199-L203 WeakPolarHBondContact O-CB 3.49Å; A199-L203 PolarHBondContact O-N 2.94Å; I201-L203 VanDerWaalsContact C-N 3.31Å; I201-L203 PolarHBondContact O-N 2.91Å; L203-V206 PolarHBondContact O-N 3.17Å; L203-L207 HydrophobicContact CD1-CD1 4.04Å; L203-L207 HydrophobicContact CD1-CG 4.21Å; L203-L207 HydrophobicContact CG-CD1 3.98Å; L203-L207 WeakPolarHBondContact O-CB 3.27Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.24Å; L203-L207 PolarHBondContact O-N 3.32Å
204	R	98.8	Very high	98.6	Very high	52 Å²	52	39.3 Å²	39.3	20%	0.196	23%	0.23	C	C	.	.	H	α-helix	trans	-68.7	-37.2	176.9	-71.1	168.1	170.8	79.4	2.5	112.5	C164 M167 D168 D200 I201 F202 V206 L207 A208	C164-R204 PolarHBondContact O-NE 3.06Å; M167-R204 HydrophobicContact CB-CB 4.27Å; M167-R204 HydrophobicContact CE-CB 3.58Å; M167-R204 HydrophobicContact SD-CB 3.9Å; D168-R204 VanDerWaalsContact CG-NE 3.26Å; D168-R204 WeakPolarHBondContact OD1-CD 3.37Å; D168-R204 IonicContact OD1-CZ 2.71Å; D168-R204 IonicContact OD1-NE 2.72Å; D168-R204 PolarHBondContact OD1-NE 2.87Å; D168-R204 IonicContact OD1-NH2 2.68Å; D168-R204 IonicContact OD2-CZ 2.81Å; D168-R204 IonicContact OD2-NE 3.29Å; D168-R204 PolarHBondContact OD2-NE 3.49Å; D168-R204 VanDerWaalsContact OD2-NE 3.15Å; D168-R204 IonicContact OD2-NH2 2.79Å; D168-R204 PolarHBondContact OD2-NH2 2.93Å; D200-R204 WeakPolarHBondContact O-CD 3.48Å; D200-R204 WeakPolarHBondContact O-CG 3.34Å; D200-R204 PolarHBondContact O-NH1 3.38Å; I201-R204 CarbonylContact O-C 3.5Å; I201-R204 WeakPolarHBondContact O-CA 3.28Å; I201-R204 WeakPolarHBondContact O-CB 3.23Å; I201-R204 PolarHBondContact O-N 3.41Å; F202-R204 VanDerWaalsContact C-N 3.27Å; F202-R204 PolarHBondContact O-N 2.89Å; R204-V206 VanDerWaalsContact C-N 3.31Å; R204-V206 PolarHBondContact O-N 3.1Å; R204-L207 PolarHBondContact O-N 3.13Å; R204-A208 WeakPolarHBondContact O-CB 3.35Å; R204-A208 PolarHBondContact O-N 2.84Å
205	N	98.9	Very high	98.7	Very high	4 Å²	4	39.4 Å²	39.4	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-59.8	-43.8	173.4	-68.8	127.3	0	0	0	111.5	M167 I201 F202 A208 S209 Q214 S229 L232	M167-N205 HydrophobicContact CE-CB 4.5Å; M167-N205 VanDerWaalsContact CE-ND2 3.33Å; M167-N205 WeakPolarHBondContact CE-ND2 3.23Å; I201-N205 PolarHBondContact O-N 2.95Å; I201-N205 PolarHBondContact O-OD1 2.94Å; F202-N205 PolarHBondContact O-N 2.87Å; N205-A208 PolarHBondContact O-N 3.02Å; N205-S209 PolarHBondContact O-N 3.48Å; N205-Q214 VanDerWaalsContact CA-OE1 3.28Å; N205-Q214 PolarHBondContact ND2-OE1 2.98Å; N205-Q214 PolarHBondContact O-NE2 3.02Å; N205-S229 WeakPolarHBondContact OD1-CB 3.39Å; N205-S229 PolarHBondContact OD1-OG 2.8Å; N205-L232 HydrophobicContact CB-CB 3.8Å; N205-L232 HydrophobicContact CB-CD1 4.21Å
206	V	98.9	Very high	98.7	Very high	86 Å²	86	34.4 Å²	34.4	52%	0.521	21%	0.205	S	C	.	.	H	α-helix	trans	-66.1	-43.8	178	172.8	0	0	0	0	111.5	F202 L203 R204 A208 S209 L232	F202-V206 WeakPolarHBondContact O-CG2 3.43Å; F202-V206 PolarHBondContact O-N 2.69Å; L203-V206 PolarHBondContact O-N 3.17Å; R204-V206 VanDerWaalsContact C-N 3.31Å; R204-V206 PolarHBondContact O-N 3.1Å; V206-A208 VanDerWaalsContact C-N 3.3Å; V206-A208 PolarHBondContact O-N 3.36Å; V206-S209 WeakPolarHBondContact O-CB 3.29Å; V206-S209 PolarHBondContact O-N 2.83Å; V206-L232 HydrophobicContact CG2-CD1 4.27Å; V206-L232 HydrophobicContact CG2-CD2 4.18Å
207	L	98.8	Very high	98.8	Very high	109 Å²	109	32.2 Å²	32.2	57%	0.571	19%	0.187	S	C	*	.	H	α-helix	trans	-68.4	-27.6	178	-69.2	173.1	0	0	0	113.3	M171 L203 R204	M171-L207 VanDerWaalsContact CE-O 3.25Å; M171-L207 WeakPolarHBondContact CE-O 3.4Å; L203-L207 HydrophobicContact CD1-CD1 4.04Å; L203-L207 HydrophobicContact CD1-CG 4.21Å; L203-L207 HydrophobicContact CG-CD1 3.98Å; L203-L207 WeakPolarHBondContact O-CB 3.27Å; L203-L207 VanDerWaalsContact O-CG 3.27Å; L203-L207 WeakPolarHBondContact O-CG 3.24Å; L203-L207 PolarHBondContact O-N 3.32Å; R204-L207 PolarHBondContact O-N 3.13Å
208	A	98.8	Very high	98.8	Very high	2 Å²	2	32.1 Å²	32.1	2%	0.017	19%	0.185	C	C	.	.	H	α-helix	trans	-86.8	-13.8	176.8	0	0	0	0	0	114.3	M171 R204 N205 V206 G210 V211 I212 Q214	M171-A208 HydrophobicContact CE-CB 4.39Å; M171-A208 HydrophobicContact CG-CB 4.16Å; M171-A208 VanDerWaalsContact SD-CA 3.52Å; M171-A208 HydrophobicContact SD-CB 3.53Å; M171-A208 VanDerWaalsContact SD-CB 3.53Å; R204-A208 WeakPolarHBondContact O-CB 3.35Å; R204-A208 PolarHBondContact O-N 2.84Å; N205-A208 PolarHBondContact O-N 3.02Å; V206-A208 VanDerWaalsContact C-N 3.3Å; V206-A208 PolarHBondContact O-N 3.36Å; A208-G210 PolarHBondContact O-N 2.84Å; A208-V211 PolarHBondContact O-N 3.17Å; A208-I212 HydrophobicContact CB-CD1 4.2Å; A208-I212 HydrophobicContact CB-CG1 3.88Å; A208-I212 PolarHBondContact O-N 3.26Å; A208-Q214 HydrophobicContact CB-CG 4.28Å
209	S	98.8	Very high	98.8	Very high	68 Å²	68	31.5 Å²	31.5	48%	0.476	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	118.4	-176.9	-173.2	0	0	0	0	111.4	N205 V206 V211	N205-S209 PolarHBondContact O-N 3.48Å; V206-S209 WeakPolarHBondContact O-CB 3.29Å; V206-S209 PolarHBondContact O-N 2.83Å; S209-V211 VanDerWaalsContact C-N 3.25Å; S209-V211 PolarHBondContact O-N 3.12Å
210	G	98.5	Very high	98.8	Very high	17 Å²	17	29 Å²	29	18%	0.175	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	17.3	-175	0	0	0	0	0	114.8	A208 N304	A208-G210 PolarHBondContact O-N 2.84Å; G210-N304 WeakPolarHBondContact O-CB 3.18Å; G210-N304 PolarHBondContact O-ND2 3.41Å
211	V	98.8	Very high	98.7	Very high	47 Å²	47	26.1 Å²	26.1	29%	0.285	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-50.2	174.1	-175.1	0	0	0	0	111.1	M171 A208 S209 S303 N304	M171-V211 HydrophobicContact CE-CB 4.01Å; M171-V211 HydrophobicContact CE-CG1 3.79Å; M171-V211 HydrophobicContact CE-CG2 4.29Å; M171-V211 HydrophobicContact SD-CB 4.07Å; M171-V211 HydrophobicContact SD-CG1 3.94Å; A208-V211 PolarHBondContact O-N 3.17Å; S209-V211 VanDerWaalsContact C-N 3.25Å; S209-V211 PolarHBondContact O-N 3.12Å; V211-S303 CarbonylContact O-C 3.48Å; V211-S303 VanDerWaalsContact O-CA 3.26Å; V211-S303 WeakPolarHBondContact O-CA 3.29Å; V211-S303 WeakPolarHBondContact O-CB 3.45Å; V211-N304 PolarHBondContact O-N 3.33Å
212	I	98.9	Very high	98.6	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.146	C	C	.	.	S	Bend	trans	-129.2	143.4	170.6	57.6	178.3	0	0	0	108.5	A170 M171 A175 V177 A208 Q214 F406	A170-I212 HydrophobicContact CB-CD1 3.81Å; M171-I212 HydrophobicContact CG-CD1 3.79Å; M171-I212 HydrophobicContact CG-CG1 4.5Å; M171-I212 HydrophobicContact SD-CD1 3.64Å; M171-I212 HydrophobicContact SD-CG1 3.7Å; M171-I212 HydrophobicContact SD-CG2 4.34Å; A175-I212 WeakPolarHBondContact O-CB 3.48Å; A175-I212 WeakPolarHBondContact O-CD1 3.23Å; A175-I212 WeakPolarHBondContact O-CG2 3.47Å; V177-I212 HydrophobicContact CG2-CD1 3.92Å; A208-I212 HydrophobicContact CB-CD1 4.2Å; A208-I212 HydrophobicContact CB-CG1 3.88Å; A208-I212 PolarHBondContact O-N 3.26Å; I212-Q214 PolarHBondContact O-N 3.26Å; I212-F406 VanDerWaalsContact C-CZ 3.46Å
213	P	98.9	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.144	C	C	.	.			trans	-63.6	133.7	175.7	-20.1	31.6	0	0	0	111.3	P176 V177 D234 L300 L302 F406	P176-P213 VanDerWaalsContact CA-O 3.25Å; P176-P213 WeakPolarHBondContact CA-O 3.34Å; P176-P213 HydrophobicContact CB-CB 4.21Å; P176-P213 HydrophobicContact CB-CG 4.44Å; P176-P213 WeakPolarHBondContact CB-O 3.22Å; P176-P213 HydrophobicContact CG-CB 4.46Å; P176-P213 HydrophobicContact CG-CG 4.19Å; V177-P213 PolarHBondContact N-O 3.19Å; P213-D234 WeakPolarHBondContact CA-OD2 3.36Å; P213-L300 HydrophobicContact CB-CD1 3.98Å; P213-L300 HydrophobicContact CG-CB 4.44Å; P213-L302 WeakPolarHBondContact CD-O 3.33Å; P213-F406 HydrophobicContact CB-CZ 4.48Å; P213-F406 HydrophobicContact CG-CD1 4.12Å; P213-F406 HydrophobicContact CG-CE1 3.81Å; P213-F406 HydrophobicContact CG-CZ 4.12Å
214	Q	98.9	Very high	98.2	Very high	3 Å²	3	21.3 Å²	21.3	1%	0.014	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	123.6	178.5	-62.5	178	81.9	0	0	109.4	V177 N205 A208 I212 T233 D234 F235	V177-Q214 WeakPolarHBondContact O-CA 3.32Å; N205-Q214 VanDerWaalsContact CA-OE1 3.28Å; N205-Q214 PolarHBondContact ND2-OE1 2.98Å; N205-Q214 PolarHBondContact O-NE2 3.02Å; A208-Q214 HydrophobicContact CB-CG 4.28Å; I212-Q214 PolarHBondContact O-N 3.26Å; Q214-T233 HydrophobicContact CB-CG2 3.87Å; Q214-D234 PolarHBondContact N-OD2 3.17Å; Q214-D234 WeakPolarHBondContact O-CB 3.35Å; Q214-D234 PolarHBondContact O-N 3.1Å; Q214-F235 PolarHBondContact O-N 3.32Å
215	I	98.9	Very high	97.9	Very high	1 Å²	1	20 Å²	20	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	126.5	-178	-50.2	167.5	0	0	0	109.5	V177 I178 G179 F235 F237 L293 F296 L300	V177-I215 PolarHBondContact O-N 3.48Å; I178-I215 CarbonylContact C-O 3.53Å; I178-I215 WeakPolarHBondContact CA-O 3.41Å; I178-I215 HydrophobicContact CG1-CB 4.44Å; G179-I215 PolarHBondContact N-O 3.14Å; I215-F235 WeakPolarHBondContact CA-O 3.16Å; I215-F235 HydrophobicContact CG2-CB 4.37Å; I215-F237 HydrophobicContact CG2-CD2 3.95Å; I215-F237 HydrophobicContact CG2-CE2 3.98Å; I215-L293 HydrophobicContact CB-CD1 4.49Å; I215-L293 HydrophobicContact CD1-CD1 3.91Å; I215-L293 HydrophobicContact CG2-CD1 3.74Å; I215-F296 HydrophobicContact CD1-CD1 3.97Å; I215-F296 HydrophobicContact CD1-CE1 3.82Å; I215-F296 HydrophobicContact CG1-CE1 4.29Å; I215-L300 HydrophobicContact CD1-CD1 3.97Å
216	S	98.9	Very high	97.7	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	130.1	170.2	-79.4	0	0	0	0	110.5	G179 P230 T233 F235 T236 F237	G179-S216 WeakPolarHBondContact O-CA 3.15Å; S216-P230 WeakPolarHBondContact OG-CA 3.42Å; S216-T233 PolarHBondContact OG-OG1 3.46Å; S216-F235 PolarHBondContact N-O 3.18Å; S216-T236 CarbonylContact O-C 3.53Å; S216-T236 VanDerWaalsContact O-CA 3.31Å; S216-T236 WeakPolarHBondContact O-CA 3.42Å; S216-F237 PolarHBondContact O-N 3.12Å
217	L	98.8	Very high	97.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	112.4	169.3	176.9	60.1	0	0	0	108.2	G179 L180 N181 M219 F237 V239 A289 L290 L293	G179-L217 PolarHBondContact O-N 2.86Å; L180-L217 HydrophobicContact CD2-CB 3.91Å; L180-L217 HydrophobicContact CD2-CD2 4.11Å; L180-L217 HydrophobicContact CD2-CG 4.46Å; N181-L217 PolarHBondContact N-O 3.37Å; L217-M219 HydrophobicContact CD1-CG 4.46Å; L217-M219 HydrophobicContact CD2-CE 3.9Å; L217-M219 HydrophobicContact CD2-CG 4.06Å; L217-M219 HydrophobicContact CD2-SD 3.7Å; L217-M219 HydrophobicContact CG-CE 4.46Å; L217-M219 HydrophobicContact CG-CG 3.64Å; L217-M219 HydrophobicContact CG-SD 3.94Å; L217-F237 HydrophobicContact CD1-CB 3.58Å; L217-V239 HydrophobicContact CD1-CG2 4.47Å; L217-A289 HydrophobicContact CD1-CB 3.99Å; L217-A289 HydrophobicContact CD2-CB 3.91Å; L217-L290 HydrophobicContact CD2-CD2 3.65Å; L217-L290 HydrophobicContact CD2-CG 4.26Å; L217-L293 HydrophobicContact CB-CD2 4.43Å; L217-L293 HydrophobicContact CD2-CD2 4.1Å
218	I	98.8	Very high	97.6	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	114.7	179.9	-38.6	-56.9	0	0	0	108	N181 G220 C222 P230 T236 F237 M238 V239 S243 L245	N181-I218 HydrophobicContact CB-CD1 3.81Å; I218-G220 WeakPolarHBondContact CG2-O 3.31Å; I218-C222 HydrophobicContact CG2-CB 3.88Å; I218-P230 HydrophobicContact CD1-CB 3.99Å; I218-P230 HydrophobicContact CD1-CG 3.72Å; I218-T236 HydrophobicContact CD1-CG2 4.17Å; I218-T236 HydrophobicContact CG1-CG2 3.91Å; I218-F237 PolarHBondContact N-O 3.03Å; I218-M238 HydrophobicContact CB-CG 4.14Å; I218-M238 HydrophobicContact CG1-CG 4.1Å; I218-V239 PolarHBondContact O-N 3.17Å; I218-S243 VanDerWaalsContact O-CB 3.22Å; I218-S243 WeakPolarHBondContact O-CB 3.37Å; I218-S243 PolarHBondContact O-OG 2.91Å; I218-L245 HydrophobicContact CD1-CD1 4.27Å; I218-L245 HydrophobicContact CG1-CD1 3.8Å; I218-L245 HydrophobicContact CG1-CG 4.24Å; I218-L245 HydrophobicContact CG2-CG 4.47Å
219	M	98.5	Very high	97.6	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	27.8	-173.7	-47.3	-176.3	83.9	0	0	110.6	K85 R91 L180 N181 L217 V239 D286 L290	K85-M219 WeakPolarHBondContact CE-O 3.45Å; R91-M219 HydrophobicContact CG-CE 4.18Å; R91-M219 HydrophobicContact CG-SD 4.12Å; R91-M219 VanDerWaalsContact CZ-CB 3.44Å; R91-M219 VanDerWaalsContact NH2-CB 3.35Å; R91-M219 PolarHBondContact NH2-O 3.49Å; L180-M219 HydrophobicContact CB-SD 4.26Å; L180-M219 HydrophobicContact CD2-SD 4.24Å; N181-M219 PolarHBondContact O-N 3.07Å; L217-M219 HydrophobicContact CD1-CG 4.46Å; L217-M219 HydrophobicContact CD2-CE 3.9Å; L217-M219 HydrophobicContact CD2-CG 4.06Å; L217-M219 HydrophobicContact CD2-SD 3.7Å; L217-M219 HydrophobicContact CG-CE 4.46Å; L217-M219 HydrophobicContact CG-CG 3.64Å; L217-M219 HydrophobicContact CG-SD 3.94Å; M219-V239 HydrophobicContact CB-CG2 4.24Å; M219-V239 HydrophobicContact CE-CG2 4.25Å; M219-V239 HydrophobicContact CG-CG2 4.05Å; M219-D286 HydrophobicContact CE-CB 3.61Å; M219-D286 VanDerWaalsContact CE-CG 3.45Å; M219-L290 HydrophobicContact CE-CD1 3.91Å; M219-L290 HydrophobicContact CE-CD2 4.08Å; M219-L290 HydrophobicContact CE-CG 3.8Å; M219-L290 HydrophobicContact SD-CD2 4.2Å
220	G	98.1	Very high	97.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.4	-166.1	-170.8	0	0	0	0	0	112.5	D182 I218 T242 S243 Y244	D182-G220 WeakPolarHBondContact OD1-CA 3.46Å; I218-G220 WeakPolarHBondContact CG2-O 3.31Å; G220-T242 VanDerWaalsContact CA-O 3.28Å; G220-T242 WeakPolarHBondContact CA-O 3.44Å; G220-S243 VanDerWaalsContact O-CA 3.25Å; G220-S243 WeakPolarHBondContact O-CA 3.38Å; G220-S243 WeakPolarHBondContact O-CB 3.43Å; G220-Y244 PolarHBondContact O-N 2.94Å; G220-Y244 VanDerWaalsContact O-N 3.16Å
221	P	97.6	Very high	97.5	Very high	13 Å²	13	15.5 Å²	15.5	8%	0.084	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	144.7	169.8	-24.6	37.4	0	0	0	111.5	F148 D182 S183 Y244	F148-P221 HydrophobicContact CD2-CG 4.47Å; F148-P221 HydrophobicContact CE2-CB 4.48Å; F148-P221 HydrophobicContact CE2-CG 3.79Å; F148-P221 HydrophobicContact CZ-CG 4.28Å; D182-P221 VanDerWaalsContact OD1-CD 3.22Å; D182-P221 WeakPolarHBondContact OD1-CD 3.1Å; S183-P221 CarbonylContact C-O 3.58Å; S183-P221 PolarHBondContact N-O 3.08Å; S183-P221 CarbonylContact O-C 3.59Å; S183-P221 VanDerWaalsContact O-C 3.27Å; P221-Y244 HydrophobicContact CB-CD2 4.48Å; P221-Y244 HydrophobicContact CB-CE1 4.27Å; P221-Y244 HydrophobicContact CB-CE2 3.65Å; P221-Y244 WeakPolarHBondContact CB-OH 3.22Å; P221-Y244 HydrophobicContact CG-CE1 4.04Å; P221-Y244 HydrophobicContact CG-CE2 4.3Å; P221-Y244 WeakPolarHBondContact CG-OH 3.35Å
222	C	97.4	Very high	97.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	98	166	-167.9	0	0	0	0	108.4	I218 A226 V227 Y244 L245 F246	I218-C222 HydrophobicContact CG2-CB 3.88Å; C222-A226 VanDerWaalsContact SG-CB 3.57Å; C222-V227 WeakPolarHBondContact O-CG1 3.33Å; C222-Y244 WeakPolarHBondContact CB-O 3.43Å; C222-Y244 PolarHBondContact N-O 3.05Å; C222-L245 HydrophobicContact CB-CD2 3.62Å; C222-L245 HydrophobicContact CB-CG 4.05Å; C222-L245 WeakPolarHBondContact O-CA 3.41Å; C222-L245 VanDerWaalsContact SG-CD2 3.52Å; C222-F246 PolarHBondContact O-N 3.26Å; C222-F246 VanDerWaalsContact O-N 3.17Å
223	A	93.6	Very high	97.5	Very high	18 Å²	18	16.5 Å²	16.5	15%	0.149	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	151.4	-169.3	0	0	0	0	0	113.5	G185 G225 A226 F246	G185-A223 WeakPolarHBondContact CA-O 3.48Å; A223-G225 PolarHBondContact O-N 2.76Å; A223-A226 WeakPolarHBondContact O-CB 3.32Å; A223-A226 PolarHBondContact O-N 3.03Å; A223-F246 CarbonylContact C-O 3.38Å; A223-F246 WeakPolarHBondContact CA-O 3.42Å; A223-F246 HydrophobicContact CB-CD2 4.16Å; A223-F246 HydrophobicContact CB-CE2 3.78Å
224	G	94.4	Very high	97.5	Very high	26 Å²	26	17.4 Å²	17.4	27%	0.268	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	66.5	-129.9	174.3	0	0	0	0	0	112.4	A226 V227 F246 I247	G224-A226 PolarHBondContact O-N 3.37Å; G224-V227 WeakPolarHBondContact O-CG2 3.44Å; G224-V227 PolarHBondContact O-N 2.93Å; G224-F246 PolarHBondContact N-O 3.01Å; G224-I247 VanDerWaalsContact CA-O 3.29Å; G224-I247 WeakPolarHBondContact CA-O 3.23Å; G224-I247 PolarHBondContact N-O 3.19Å
225	G	92.1	Very high	97.5	Very high	25 Å²	25	17.5 Å²	17.5	26%	0.258	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-59.3	-26.1	178.3	0	0	0	0	0	114	F202 A223 V227 Y228	F202-G225 VanDerWaalsContact CZ-O 3.27Å; F202-G225 WeakPolarHBondContact CZ-O 3.49Å; A223-G225 PolarHBondContact O-N 2.76Å; G225-V227 PolarHBondContact O-N 3.04Å; G225-V227 VanDerWaalsContact O-N 3.11Å; G225-Y228 PolarHBondContact O-N 3.31Å
226	A	95	Very high	97.5	Very high	5 Å²	5	17.6 Å²	17.6	4%	0.041	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-58.8	-28.6	-176.7	0	0	0	0	0	113.8	Y198 C222 A223 G224 Y228 P230	Y198-A226 HydrophobicContact CE1-CB 4.11Å; C222-A226 VanDerWaalsContact SG-CB 3.57Å; A223-A226 WeakPolarHBondContact O-CB 3.32Å; A223-A226 PolarHBondContact O-N 3.03Å; G224-A226 PolarHBondContact O-N 3.37Å; A226-Y228 VanDerWaalsContact C-N 3.3Å; A226-Y228 PolarHBondContact O-N 2.92Å; A226-P230 WeakPolarHBondContact O-CD 3.45Å
227	V	97.4	Very high	97.5	Very high	16 Å²	16	17.6 Å²	17.6	10%	0.097	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-70	-24.7	-174.1	-45.5	0	0	0	0	113.8	C222 G224 G225 A231 L245 F246 I247	C222-V227 WeakPolarHBondContact O-CG1 3.33Å; G224-V227 WeakPolarHBondContact O-CG2 3.44Å; G224-V227 PolarHBondContact O-N 2.93Å; G225-V227 PolarHBondContact O-N 3.04Å; G225-V227 VanDerWaalsContact O-N 3.11Å; V227-A231 WeakPolarHBondContact O-CB 3.23Å; V227-A231 PolarHBondContact O-N 3.33Å; V227-L245 HydrophobicContact CB-CD2 3.61Å; V227-L245 HydrophobicContact CG1-CD2 3.59Å; V227-F246 VanDerWaalsContact CG1-O 3.31Å; V227-F246 WeakPolarHBondContact CG1-O 3.24Å; V227-I247 HydrophobicContact CG2-CG1 3.7Å
228	Y	98.3	Very high	97.5	Very high	113 Å²	113	17.6 Å²	17.6	44%	0.443	11%	0.11	S	C	.	.	H	α-helix	trans	-74.2	-30.3	-174.2	-70.7	-61.5	0	0	0	113.2	F202 G225 A226 A231 L232 I247	F202-Y228 HydrophobicContact CZ-CD2 4.36Å; G225-Y228 PolarHBondContact O-N 3.31Å; A226-Y228 VanDerWaalsContact C-N 3.3Å; A226-Y228 PolarHBondContact O-N 2.92Å; Y228-A231 PolarHBondContact O-N 3.19Å; Y228-L232 VanDerWaalsContact O-CG 3.26Å; Y228-L232 WeakPolarHBondContact O-CG 3.42Å; Y228-L232 PolarHBondContact O-N 2.64Å; Y228-L232 VanDerWaalsContact O-N 3.14Å; Y228-I247 HydrophobicContact CE1-CD1 4.38Å
229	S	98.4	Very high	97.5	Very high	9 Å²	9	17.6 Å²	17.6	6%	0.063	11%	0.11	C	C	.	.	H	α-helix	trans	-65.4	-53	176.5	178.8	0	0	0	0	111.1	N205 A231 L232 T233	N205-S229 WeakPolarHBondContact OD1-CB 3.39Å; N205-S229 PolarHBondContact OD1-OG 2.8Å; S229-A231 VanDerWaalsContact C-N 3.31Å; S229-A231 PolarHBondContact O-N 3.41Å; S229-L232 PolarHBondContact O-N 3.39Å; S229-T233 WeakPolarHBondContact O-CG2 3.32Å; S229-T233 PolarHBondContact O-N 2.84Å; S229-T233 VanDerWaalsContact O-N 3.13Å
230	P	98.3	Very high	97.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	12%	0.123	C	C	.	.	H	α-helix	trans	-54.7	-40.5	170.7	-28.5	36.4	0	0	0	114.5	S216 I218 A226 L232 T233 T236	S216-P230 WeakPolarHBondContact OG-CA 3.42Å; I218-P230 HydrophobicContact CD1-CB 3.99Å; I218-P230 HydrophobicContact CD1-CG 3.72Å; A226-P230 WeakPolarHBondContact O-CD 3.45Å; P230-L232 PolarHBondContact O-N 2.7Å; P230-T233 PolarHBondContact O-N 3.14Å; P230-T233 VanDerWaalsContact O-N 3.09Å; P230-T233 PolarHBondContact O-OG1 3.32Å; P230-T236 HydrophobicContact CB-CG2 4.18Å; P230-T236 PolarHBondContact O-OG1 3.33Å
231	A	98.1	Very high	97.4	Very high	46 Å²	46	27.1 Å²	27.1	38%	0.38	16%	0.158	S	C	.	.	H	α-helix	trans	-60.8	-30.7	178.2	0	0	0	0	0	113.5	V227 Y228 S229 R398	V227-A231 WeakPolarHBondContact O-CB 3.23Å; V227-A231 PolarHBondContact O-N 3.33Å; Y228-A231 PolarHBondContact O-N 3.19Å; S229-A231 VanDerWaalsContact C-N 3.31Å; S229-A231 PolarHBondContact O-N 3.41Å; A231-R398 PolarHBondContact O-NH2 3.19Å
232	L	98.7	Very high	97.4	Very high	66 Å²	66	28.2 Å²	28.2	35%	0.346	16%	0.164	S	C	.	.	H	α-helix	trans	-84.9	-17.6	176.1	-67.5	168.3	0	0	0	113.9	F202 N205 V206 Y228 S229 P230	F202-L232 HydrophobicContact CB-CD1 4.03Å; F202-L232 HydrophobicContact CD1-CD1 4.46Å; F202-L232 HydrophobicContact CG-CD1 4.41Å; N205-L232 HydrophobicContact CB-CB 3.8Å; N205-L232 HydrophobicContact CB-CD1 4.21Å; V206-L232 HydrophobicContact CG2-CD1 4.27Å; V206-L232 HydrophobicContact CG2-CD2 4.18Å; Y228-L232 VanDerWaalsContact O-CG 3.26Å; Y228-L232 WeakPolarHBondContact O-CG 3.42Å; Y228-L232 PolarHBondContact O-N 2.64Å; Y228-L232 VanDerWaalsContact O-N 3.14Å; S229-L232 PolarHBondContact O-N 3.39Å; P230-L232 PolarHBondContact O-N 2.7Å
233	T	98.9	Very high	97.4	Very high	4 Å²	4	28.2 Å²	28.2	3%	0.025	16%	0.164	C	C	.	.	S	Bend	trans	-72.1	163.3	172.9	67.6	0	0	0	0	112.2	Q214 S216 S229 P230 R398	Q214-T233 HydrophobicContact CB-CG2 3.87Å; S216-T233 PolarHBondContact OG-OG1 3.46Å; S229-T233 WeakPolarHBondContact O-CG2 3.32Å; S229-T233 PolarHBondContact O-N 2.84Å; S229-T233 VanDerWaalsContact O-N 3.13Å; P230-T233 PolarHBondContact O-N 3.14Å; P230-T233 VanDerWaalsContact O-N 3.09Å; P230-T233 PolarHBondContact O-OG1 3.32Å; T233-R398 PolarHBondContact O-NH2 2.86Å
234	D	98.8	Very high	97.6	Very high	19 Å²	19	29.5 Å²	29.5	10%	0.102	17%	0.165	C	C	.	.	S	Bend	trans	-69.2	-44.5	-176.2	-59	-62.1	0	0	0	111.6	P213 Q214 F402	P213-D234 WeakPolarHBondContact CA-OD2 3.36Å; Q214-D234 PolarHBondContact N-OD2 3.17Å; Q214-D234 WeakPolarHBondContact O-CB 3.35Å; Q214-D234 PolarHBondContact O-N 3.1Å; D234-F402 HydrophobicContact CB-CD2 3.62Å; D234-F402 HydrophobicContact CB-CE2 3.58Å
235	F	98.9	Very high	97.7	Very high	5 Å²	5	28.5 Å²	28.5	2%	0.022	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.7	-180	-60.6	-84.1	0	0	0	112.1	Q214 I215 S216 F237 H280 F296 I354 F366 F402	Q214-F235 PolarHBondContact O-N 3.32Å; I215-F235 WeakPolarHBondContact CA-O 3.16Å; I215-F235 HydrophobicContact CG2-CB 4.37Å; S216-F235 PolarHBondContact N-O 3.18Å; F235-F237 HydrophobicContact CB-CE2 4.2Å; F235-F237 HydrophobicContact CB-CZ 4.13Å; F235-H280 HydrophobicContact CD1-CB 4.36Å; F235-H280 AromaticContact CD1-CD2 3.72Å; F235-F296 HydrophobicContact CB-CE1 4.38Å; F235-F296 HydrophobicContact CB-CZ 4.47Å; F235-F296 HydrophobicContact CD1-CZ 4.01Å; F235-F296 AromaticContact CD2-CE1 3.85Å; F235-F296 HydrophobicContact CD2-CE1 3.85Å; F235-F296 AromaticContact CD2-CZ 3.53Å; F235-F296 HydrophobicContact CD2-CZ 3.53Å; F235-F296 HydrophobicContact CE1-CZ 4.13Å; F235-F296 HydrophobicContact CE2-CE1 4.35Å; F235-F296 AromaticContact CE2-CZ 3.65Å; F235-F296 HydrophobicContact CE2-CZ 3.65Å; F235-F296 HydrophobicContact CG-CE1 4.05Å; F235-F296 AromaticContact CG-CZ 3.72Å; F235-F296 HydrophobicContact CG-CZ 3.72Å; F235-F296 AromaticContact CZ-CZ 3.97Å; F235-F296 HydrophobicContact CZ-CZ 3.97Å; F235-I354 HydrophobicContact CD1-CD1 4.06Å; F235-I354 HydrophobicContact CE1-CD1 3.98Å; F235-I354 HydrophobicContact CE1-CG1 4.2Å; F235-I354 HydrophobicContact CE1-CG2 4.15Å; F235-F366 HydrophobicContact CE1-CE2 4.18Å; F235-F366 HydrophobicContact CE2-CE2 4.48Å; F235-F366 AromaticContact CZ-CE2 3.72Å; F235-F366 HydrophobicContact CZ-CE2 3.72Å; F235-F366 AromaticContact CZ-CZ 3.85Å; F235-F366 HydrophobicContact CZ-CZ 3.85Å; F235-F402 HydrophobicContact CD2-CE2 4.39Å; F235-F402 AromaticContact CE2-CD1 3.94Å; F235-F402 HydrophobicContact CE2-CD1 3.94Å; F235-F402 AromaticContact CE2-CD2 3.8Å; F235-F402 HydrophobicContact CE2-CD2 3.8Å; F235-F402 AromaticContact CE2-CE1 3.75Å; F235-F402 HydrophobicContact CE2-CE1 3.75Å; F235-F402 AromaticContact CE2-CE2 3.58Å; F235-F402 HydrophobicContact CE2-CE2 3.58Å; F235-F402 AromaticContact CE2-CG 3.98Å; F235-F402 HydrophobicContact CE2-CG 3.98Å; F235-F402 AromaticContact CE2-CZ 3.58Å; F235-F402 HydrophobicContact CE2-CZ 3.58Å; F235-F402 AromaticContact CZ-CD1 3.84Å; F235-F402 HydrophobicContact CZ-CD1 3.84Å; F235-F402 HydrophobicContact CZ-CD2 4.25Å; F235-F402 HydrophobicContact CZ-CE1 4.02Å; F235-F402 HydrophobicContact CZ-CE2 4.39Å; F235-F402 AromaticContact CZ-CG 3.99Å; F235-F402 HydrophobicContact CZ-CG 3.99Å; F235-F402 HydrophobicContact CZ-CZ 4.31Å
236	T	98.8	Very high	97.9	Very high	2 Å²	2	28.5 Å²	28.5	1%	0.012	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	115.9	172.9	-61.5	0	0	0	0	109.4	S216 I218 P230 L245 A279 H280	S216-T236 CarbonylContact O-C 3.53Å; S216-T236 VanDerWaalsContact O-CA 3.31Å; S216-T236 WeakPolarHBondContact O-CA 3.42Å; I218-T236 HydrophobicContact CD1-CG2 4.17Å; I218-T236 HydrophobicContact CG1-CG2 3.91Å; P230-T236 HydrophobicContact CB-CG2 4.18Å; P230-T236 PolarHBondContact O-OG1 3.33Å; T236-L245 HydrophobicContact CG2-CD1 4.1Å; T236-A279 CarbonylContact O-C 3.51Å; T236-A279 WeakPolarHBondContact O-CA 3.33Å; T236-H280 PolarHBondContact N-ND1 3.32Å; T236-H280 WeakPolarHBondContact O-CB 3.35Å; T236-H280 PolarHBondContact O-N 2.64Å; T236-H280 PolarHBondContact O-ND1 3.39Å
237	F	98.8	Very high	97.9	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	157.3	173.2	-61.2	-53.1	0	0	0	110.8	I215 S216 L217 I218 F235 H280 R281 F283 L293 F296 F352 I354	I215-F237 HydrophobicContact CG2-CD2 3.95Å; I215-F237 HydrophobicContact CG2-CE2 3.98Å; S216-F237 PolarHBondContact O-N 3.12Å; L217-F237 HydrophobicContact CD1-CB 3.58Å; I218-F237 PolarHBondContact N-O 3.03Å; F235-F237 HydrophobicContact CB-CE2 4.2Å; F235-F237 HydrophobicContact CB-CZ 4.13Å; F237-H280 HydrophobicContact CD1-CB 4.14Å; F237-H280 HydrophobicContact CE1-CB 3.9Å; F237-R281 WeakPolarHBondContact CA-O 3.31Å; F237-R281 HydrophobicContact CD1-CB 3.64Å; F237-R281 HydrophobicContact CE1-CB 3.82Å; F237-F283 HydrophobicContact CB-CD2 4.5Å; F237-F283 HydrophobicContact CB-CE2 3.91Å; F237-F283 HydrophobicContact CD1-CE2 4.19Å; F237-F283 AromaticContact CG-CE2 3.97Å; F237-F283 HydrophobicContact CG-CE2 3.97Å; F237-L293 HydrophobicContact CD2-CD1 4.39Å; F237-L293 HydrophobicContact CE2-CD1 4.28Å; F237-F296 AromaticContact CE2-CD1 3.7Å; F237-F296 HydrophobicContact CE2-CD1 3.7Å; F237-F296 AromaticContact CE2-CE1 3.85Å; F237-F296 HydrophobicContact CE2-CE1 3.85Å; F237-F296 HydrophobicContact CE2-CG 4.23Å; F237-F296 AromaticContact CZ-CD1 3.97Å; F237-F296 HydrophobicContact CZ-CD1 3.97Å; F237-F296 HydrophobicContact CZ-CD2 4.38Å; F237-F296 AromaticContact CZ-CE1 3.95Å; F237-F296 HydrophobicContact CZ-CE1 3.95Å; F237-F296 HydrophobicContact CZ-CE2 4.37Å; F237-F296 HydrophobicContact CZ-CG 4.19Å; F237-F296 HydrophobicContact CZ-CZ 4.16Å; F237-F352 HydrophobicContact CE1-CE1 4.45Å; F237-F352 HydrophobicContact CZ-CE1 4.2Å; F237-F352 HydrophobicContact CZ-CZ 4.47Å; F237-I354 HydrophobicContact CE1-CD1 4.31Å; F237-I354 HydrophobicContact CZ-CD1 4.33Å
238	M	98.8	Very high	97.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	154.8	-178.3	-65.1	-172.3	71	0	0	112.1	I218 L245 A269 H272 A279 R281 A282 F283	I218-M238 HydrophobicContact CB-CG 4.14Å; I218-M238 HydrophobicContact CG1-CG 4.1Å; M238-L245 HydrophobicContact SD-CD1 4.25Å; M238-A269 HydrophobicContact CB-CB 3.89Å; M238-A269 HydrophobicContact CE-CB 4.22Å; M238-A269 HydrophobicContact SD-CB 4.42Å; M238-H272 HydrophobicContact SD-CB 3.85Å; M238-A279 HydrophobicContact CG-CB 3.86Å; M238-A279 HydrophobicContact SD-CB 3.63Å; M238-R281 PolarHBondContact N-O 3.41Å; M238-R281 VanDerWaalsContact N-O 3.07Å; M238-A282 HydrophobicContact CB-CB 4.46Å; M238-A282 CarbonylContact O-C 3.48Å; M238-A282 VanDerWaalsContact O-CA 3.23Å; M238-A282 WeakPolarHBondContact O-CA 3.5Å; M238-F283 PolarHBondContact O-N 2.85Å
239	V	98.7	Very high	97.4	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.5	168.3	-171.9	0	0	0	0	109.1	L217 I218 M219 T242 S243 N285 A289	L217-V239 HydrophobicContact CD1-CG2 4.47Å; I218-V239 PolarHBondContact O-N 3.17Å; M219-V239 HydrophobicContact CB-CG2 4.24Å; M219-V239 HydrophobicContact CE-CG2 4.25Å; M219-V239 HydrophobicContact CG-CG2 4.05Å; V239-T242 VanDerWaalsContact CG1-OG1 3.29Å; V239-T242 WeakPolarHBondContact CG1-OG1 3.46Å; V239-S243 PolarHBondContact N-OG 2.88Å; V239-S243 VanDerWaalsContact N-OG 3.09Å; V239-S243 WeakPolarHBondContact O-CB 3.4Å; V239-S243 PolarHBondContact O-N 3.08Å; V239-S243 PolarHBondContact O-OG 3.47Å; V239-N285 VanDerWaalsContact CG1-CA 3.49Å; V239-A289 HydrophobicContact CG2-CB 3.98Å
240	K	98.1	Very high	97.1	Very high	65 Å²	65	31.1 Å²	31.1	28%	0.283	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	151.4	-179.1	-66.5	-179.9	-164.5	172.9	0	112.1	T242 A269 A282 F283 E284	K240-T242 PolarHBondContact O-N 2.8Å; K240-T242 PolarHBondContact O-OG1 3.07Å; K240-A269 HydrophobicContact CG-CB 4.32Å; K240-A282 HydrophobicContact CG-CB 4.1Å; K240-F283 WeakPolarHBondContact CG-O 3.46Å; K240-F283 PolarHBondContact N-O 3.23Å; K240-E284 VanDerWaalsContact CD-OE2 3.29Å; K240-E284 WeakPolarHBondContact CD-OE2 3.26Å; K240-E284 WeakPolarHBondContact CE-OE2 3.28Å; K240-E284 IonicContact NZ-OE1 3.64Å; K240-E284 PolarHBondContact NZ-OE1 2.98Å; K240-E284 IonicContact NZ-OE2 2.77Å; K240-E284 PolarHBondContact NZ-OE2 3Å
241	D	96.4	Very high	96.7	Very high	135 Å²	135	37.5 Å²	37.5	72%	0.722	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	-4.4	173.3	-48.6	-42.6	0	0	0	117
242	T	97.1	Very high	96.4	Very high	35 Å²	35	38.9 Å²	38.9	22%	0.215	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-128.3	-10.3	-173.2	54.9	0	0	0	0	112.7	K85 G220 V239 K240	K85-T242 HydrophobicContact CG-CG2 4.14Å; G220-T242 VanDerWaalsContact CA-O 3.28Å; G220-T242 WeakPolarHBondContact CA-O 3.44Å; V239-T242 VanDerWaalsContact CG1-OG1 3.29Å; V239-T242 WeakPolarHBondContact CG1-OG1 3.46Å; K240-T242 PolarHBondContact O-N 2.8Å; K240-T242 PolarHBondContact O-OG1 3.07Å
243	S	97.9	Very high	96.1	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.007	20%	0.201	C	C	.	.			trans	-129.2	145.1	179.3	81.6	0	0	0	0	113.1	I218 G220 V239	I218-S243 VanDerWaalsContact O-CB 3.22Å; I218-S243 WeakPolarHBondContact O-CB 3.37Å; I218-S243 PolarHBondContact O-OG 2.91Å; G220-S243 VanDerWaalsContact O-CA 3.25Å; G220-S243 WeakPolarHBondContact O-CA 3.38Å; G220-S243 WeakPolarHBondContact O-CB 3.43Å; V239-S243 PolarHBondContact N-OG 2.88Å; V239-S243 VanDerWaalsContact N-OG 3.09Å; V239-S243 WeakPolarHBondContact O-CB 3.4Å; V239-S243 PolarHBondContact O-N 3.08Å; V239-S243 PolarHBondContact O-OG 3.47Å
244	Y	97.6	Very high	95.8	Very high	44 Å²	44	41 Å²	41	17%	0.173	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	154.4	178.6	54.5	-102.4	0	0	0	112.3	G220 P221 C222 F246 Q263 G267	G220-Y244 PolarHBondContact O-N 2.94Å; G220-Y244 VanDerWaalsContact O-N 3.16Å; P221-Y244 HydrophobicContact CB-CD2 4.48Å; P221-Y244 HydrophobicContact CB-CE1 4.27Å; P221-Y244 HydrophobicContact CB-CE2 3.65Å; P221-Y244 WeakPolarHBondContact CB-OH 3.22Å; P221-Y244 HydrophobicContact CG-CE1 4.04Å; P221-Y244 HydrophobicContact CG-CE2 4.3Å; P221-Y244 WeakPolarHBondContact CG-OH 3.35Å; C222-Y244 WeakPolarHBondContact CB-O 3.43Å; C222-Y244 PolarHBondContact N-O 3.05Å; Y244-F246 AromaticContact CD2-CD1 3.99Å; Y244-F246 HydrophobicContact CD2-CD1 3.99Å; Y244-F246 AromaticContact CD2-CE1 3.26Å; Y244-F246 HydrophobicContact CD2-CE1 3.26Å; Y244-F246 AromaticContact CD2-CZ 3.63Å; Y244-F246 HydrophobicContact CD2-CZ 3.63Å; Y244-F246 AromaticContact CE2-CE1 3.6Å; Y244-F246 HydrophobicContact CE2-CE1 3.6Å; Y244-F246 HydrophobicContact CE2-CE2 4.39Å; Y244-F246 AromaticContact CE2-CZ 3.45Å; Y244-F246 HydrophobicContact CE2-CZ 3.45Å; Y244-F246 VanDerWaalsContact CE2-CZ 3.45Å; Y244-F246 HydrophobicContact CG-CE1 4.08Å; Y244-Q263 HydrophobicContact CD1-CB 4.46Å; Y244-G267 CarbonylContact C-O 3.6Å; Y244-G267 WeakPolarHBondContact CA-O 3.44Å; Y244-G267 WeakPolarHBondContact CB-O 3.49Å
245	L	96	Very high	95.6	Very high	6 Å²	6	44.4 Å²	44.4	3%	0.031	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	125.5	-178.7	-94.1	164.9	0	0	0	110.2	I218 C222 V227 T236 M238 G267 H272 V278	I218-L245 HydrophobicContact CD1-CD1 4.27Å; I218-L245 HydrophobicContact CG1-CD1 3.8Å; I218-L245 HydrophobicContact CG1-CG 4.24Å; I218-L245 HydrophobicContact CG2-CG 4.47Å; C222-L245 HydrophobicContact CB-CD2 3.62Å; C222-L245 HydrophobicContact CB-CG 4.05Å; C222-L245 WeakPolarHBondContact O-CA 3.41Å; C222-L245 VanDerWaalsContact SG-CD2 3.52Å; V227-L245 HydrophobicContact CB-CD2 3.61Å; V227-L245 HydrophobicContact CG1-CD2 3.59Å; T236-L245 HydrophobicContact CG2-CD1 4.1Å; M238-L245 HydrophobicContact SD-CD1 4.25Å; L245-G267 PolarHBondContact N-O 3.07Å; L245-G267 VanDerWaalsContact O-CA 3.23Å; L245-G267 WeakPolarHBondContact O-CA 3.49Å; L245-H272 VanDerWaalsContact CB-NE2 3.32Å; L245-H272 WeakPolarHBondContact CB-NE2 3.46Å; L245-H272 PolarHBondContact O-NE2 2.86Å; L245-V278 HydrophobicContact CD1-CG1 4.21Å
246	F	96.5	Very high	95.4	Very high	24 Å²	24	49.4 Å²	49.4	11%	0.105	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	146.9	166.5	43.8	-108.8	0	0	0	113	C222 A223 G224 V227 Y244 G249 Q263 L266	C222-F246 PolarHBondContact O-N 3.26Å; C222-F246 VanDerWaalsContact O-N 3.17Å; A223-F246 CarbonylContact C-O 3.38Å; A223-F246 WeakPolarHBondContact CA-O 3.42Å; A223-F246 HydrophobicContact CB-CD2 4.16Å; A223-F246 HydrophobicContact CB-CE2 3.78Å; G224-F246 PolarHBondContact N-O 3.01Å; V227-F246 VanDerWaalsContact CG1-O 3.31Å; V227-F246 WeakPolarHBondContact CG1-O 3.24Å; Y244-F246 AromaticContact CD2-CD1 3.99Å; Y244-F246 HydrophobicContact CD2-CD1 3.99Å; Y244-F246 AromaticContact CD2-CE1 3.26Å; Y244-F246 HydrophobicContact CD2-CE1 3.26Å; Y244-F246 AromaticContact CD2-CZ 3.63Å; Y244-F246 HydrophobicContact CD2-CZ 3.63Å; Y244-F246 AromaticContact CE2-CE1 3.6Å; Y244-F246 HydrophobicContact CE2-CE1 3.6Å; Y244-F246 HydrophobicContact CE2-CE2 4.39Å; Y244-F246 AromaticContact CE2-CZ 3.45Å; Y244-F246 HydrophobicContact CE2-CZ 3.45Å; Y244-F246 VanDerWaalsContact CE2-CZ 3.45Å; Y244-F246 HydrophobicContact CG-CE1 4.08Å; F246-G249 VanDerWaalsContact CE2-CA 3.44Å; F246-Q263 HydrophobicContact CE1-CB 4.3Å; F246-Q263 HydrophobicContact CE1-CG 4.19Å; F246-Q263 HydrophobicContact CZ-CG 4.34Å; F246-L266 HydrophobicContact CB-CD2 4.33Å; F246-L266 HydrophobicContact CB-CG 4.43Å; F246-L266 HydrophobicContact CD1-CD2 4.1Å; F246-L266 HydrophobicContact CD1-CG 4.37Å; F246-L266 HydrophobicContact CG-CD2 4.2Å
247	I	95.4	Very high	95	Very high	97 Å²	97	53.1 Å²	53.1	50%	0.497	30%	0.298	S	S	.	.	S	Bend	trans	-68.2	-45.8	171.7	-62.7	168.9	0	0	0	109.8	G224 V227 Y228	G224-I247 VanDerWaalsContact CA-O 3.29Å; G224-I247 WeakPolarHBondContact CA-O 3.23Å; G224-I247 PolarHBondContact N-O 3.19Å; V227-I247 HydrophobicContact CG2-CG1 3.7Å; Y228-I247 HydrophobicContact CE1-CD1 4.38Å
248	T	92.7	Very high	94.6	Very high	65 Å²	65	59.8 Å²	59.8	40%	0.399	33%	0.333	S	S	.	.	S	Bend	trans	-121.8	126.7	-173.2	-58.7	0	0	0	0	108.7	V252 V253 L266	T248-V252 HydrophobicContact CG2-CB 3.55Å; T248-V252 HydrophobicContact CG2-CG1 3.46Å; T248-V252 VanDerWaalsContact CG2-CG1 3.46Å; T248-V253 HydrophobicContact CG2-CG2 4.15Å; T248-L266 WeakPolarHBondContact O-CD2 3.18Å
249	G	91.8	Very high	94.2	Very high	20 Å²	20	65.1 Å²	65.1	21%	0.206	36%	0.358	C	S	.	.			trans	-75.8	160.2	-178	0	0	0	0	0	113.7	F246 D251 V252 V253	F246-G249 VanDerWaalsContact CE2-CA 3.44Å; G249-D251 VanDerWaalsContact C-N 3.31Å; G249-D251 PolarHBondContact O-N 3.1Å; G249-V252 PolarHBondContact O-N 3.25Å; G249-V253 PolarHBondContact O-N 3.46Å
250	P	91.9	Very high	93.9	Very high	16 Å²	16	70.8 Å²	70.8	10%	0.104	39%	0.388	C	S	.	.	H	α-helix	trans	-53.1	-39.4	-175.6	-30.2	36.5	0	0	0	115.4	V252 V253 K254 V261 Q263 L266	P250-V252 PolarHBondContact O-N 3.13Å; P250-V253 WeakPolarHBondContact O-CB 3.36Å; P250-V253 PolarHBondContact O-N 3.38Å; P250-V253 VanDerWaalsContact O-N 3.17Å; P250-K254 WeakPolarHBondContact O-CB 3.47Å; P250-K254 PolarHBondContact O-N 2.92Å; P250-V261 HydrophobicContact CB-CG1 4.47Å; P250-V261 WeakPolarHBondContact CB-O 3.29Å; P250-Q263 HydrophobicContact CG-CG 3.85Å; P250-L266 HydrophobicContact CG-CD2 3.79Å
251	D	90.6	Very high	93.8	Very high	135 Å²	135	69 Å²	69	72%	0.722	38%	0.383	S	S	*	.	H	α-helix	trans	-62.1	-33.3	179.7	-54.2	-52.6	0	0	0	112.5	G249 S255	G249-D251 VanDerWaalsContact C-N 3.31Å; G249-D251 PolarHBondContact O-N 3.1Å; D251-S255 WeakPolarHBondContact O-CB 3.33Å; D251-S255 PolarHBondContact O-N 2.64Å; D251-S255 VanDerWaalsContact O-N 3.13Å; D251-S255 PolarHBondContact O-OG 2.85Å
252	V	91.2	Very high	93.7	Very high	76 Å²	76	66 Å²	66	46%	0.461	37%	0.37	S	S	.	.	H	α-helix	trans	-80	-37.9	176.6	-177.7	0	0	0	0	110.6	T248 G249 P250 S255 V256	T248-V252 HydrophobicContact CG2-CB 3.55Å; T248-V252 HydrophobicContact CG2-CG1 3.46Å; T248-V252 VanDerWaalsContact CG2-CG1 3.46Å; G249-V252 PolarHBondContact O-N 3.25Å; P250-V252 PolarHBondContact O-N 3.13Å; V252-S255 WeakPolarHBondContact CA-OG 3.42Å; V252-S255 PolarHBondContact O-N 3.38Å; V252-S255 PolarHBondContact O-OG 3.32Å; V252-V256 HydrophobicContact CG1-CG2 4.27Å; V252-V256 WeakPolarHBondContact O-CB 3.39Å; V252-V256 WeakPolarHBondContact O-CG2 3.26Å; V252-V256 PolarHBondContact O-N 3.44Å; V252-V256 VanDerWaalsContact O-N 3.1Å
253	V	92.3	Very high	93.5	Very high	20 Å²	20	68.6 Å²	68.6	12%	0.121	38%	0.379	C	S	.	.	H	α-helix	trans	-56.8	-52.1	171.2	173.6	0	0	0	0	109.9	T248 G249 P250 S255 V256 T257 E259 V261 L266	T248-V253 HydrophobicContact CG2-CG2 4.15Å; G249-V253 PolarHBondContact O-N 3.46Å; P250-V253 WeakPolarHBondContact O-CB 3.36Å; P250-V253 PolarHBondContact O-N 3.38Å; P250-V253 VanDerWaalsContact O-N 3.17Å; V253-S255 PolarHBondContact O-N 2.74Å; V253-V256 PolarHBondContact O-N 2.84Å; V253-T257 WeakPolarHBondContact O-CB 3.19Å; V253-T257 PolarHBondContact O-N 2.66Å; V253-T257 PolarHBondContact O-OG1 3.3Å; V253-E259 HydrophobicContact CG1-CB 4.04Å; V253-V261 HydrophobicContact CG1-CG1 4.13Å; V253-L266 HydrophobicContact CG2-CD1 4.47Å; V253-L266 HydrophobicContact CG2-CD2 4.11Å
254	K	92.8	Very high	93.3	Very high	95 Å²	95	71.4 Å²	71.4	41%	0.413	39%	0.392	S	S	.	.	H	α-helix	trans	-57.5	-49	178.5	-177	172.5	-172.6	152.1	0	112.8	P250 V256 N258 E259 D260	P250-K254 WeakPolarHBondContact O-CB 3.47Å; P250-K254 PolarHBondContact O-N 2.92Å; K254-V256 VanDerWaalsContact C-N 3.31Å; K254-V256 PolarHBondContact O-N 3.38Å; K254-N258 WeakPolarHBondContact O-CA 3.44Å; K254-N258 PolarHBondContact O-N 3.33Å; K254-E259 VanDerWaalsContact CA-O 3.3Å; K254-E259 WeakPolarHBondContact CA-O 3.35Å; K254-D260 WeakPolarHBondContact CD-OD1 3.28Å; K254-D260 WeakPolarHBondContact CE-OD1 3.48Å; K254-D260 VanDerWaalsContact CE-OD2 3.28Å; K254-D260 WeakPolarHBondContact CE-OD2 3.4Å; K254-D260 IonicContact NZ-OD1 3.2Å; K254-D260 PolarHBondContact NZ-OD1 3.31Å; K254-D260 IonicContact NZ-OD2 2.76Å; K254-D260 PolarHBondContact NZ-OD2 3.25Å
255	S	94.4	Very high	93.2	Very high	90 Å²	90	74.8 Å²	74.8	63%	0.629	41%	0.41	S	S	*	.	H	α-helix	trans	-69.9	-23.5	-177.1	50.7	0	0	0	0	114.5	D251 V252 V253	D251-S255 WeakPolarHBondContact O-CB 3.33Å; D251-S255 PolarHBondContact O-N 2.64Å; D251-S255 VanDerWaalsContact O-N 3.13Å; D251-S255 PolarHBondContact O-OG 2.85Å; V252-S255 WeakPolarHBondContact CA-OG 3.42Å; V252-S255 PolarHBondContact O-N 3.38Å; V252-S255 PolarHBondContact O-OG 3.32Å; V253-S255 PolarHBondContact O-N 2.74Å
256	V	95.1	Very high	93.2	Very high	110 Å²	110	76.8 Å²	76.8	67%	0.667	42%	0.42	S	S	*	.	H	α-helix	trans	-96.3	-37.2	179.6	176.2	0	0	0	0	112.8	V252 V253 K254	V252-V256 HydrophobicContact CG1-CG2 4.27Å; V252-V256 WeakPolarHBondContact O-CB 3.39Å; V252-V256 WeakPolarHBondContact O-CG2 3.26Å; V252-V256 PolarHBondContact O-N 3.44Å; V252-V256 VanDerWaalsContact O-N 3.1Å; V253-V256 PolarHBondContact O-N 2.84Å; K254-V256 VanDerWaalsContact C-N 3.31Å; K254-V256 PolarHBondContact O-N 3.38Å
257	T	90.9	Very high	93.2	Very high	79 Å²	79	75.6 Å²	75.6	49%	0.485	42%	0.415	S	S	.	.	H	α-helix	trans	-111.7	-14.9	-171	67.7	0	0	0	0	114	V253 E259	V253-T257 WeakPolarHBondContact O-CB 3.19Å; V253-T257 PolarHBondContact O-N 2.66Å; V253-T257 PolarHBondContact O-OG1 3.3Å; T257-E259 PolarHBondContact O-N 2.91Å; T257-E259 VanDerWaalsContact OG1-CB 3.26Å; T257-E259 WeakPolarHBondContact OG1-CB 3.45Å; T257-E259 PolarHBondContact OG1-N 2.75Å; T257-E259 VanDerWaalsContact OG1-N 3.13Å
258	N	89.8	Confident	93.3	Very high	141 Å²	141	71 Å²	71	75%	0.754	39%	0.391	S	S	*	.			trans	60.6	17.3	-165.6	-54	-76	0	0	0	114.6	K254	K254-N258 WeakPolarHBondContact O-CA 3.44Å; K254-N258 PolarHBondContact O-N 3.33Å
259	E	90.9	Very high	93.5	Very high	112 Å²	112	68 Å²	68	52%	0.523	37%	0.373	S	S	.	.			trans	-80.1	121.7	170.5	-171.8	177.5	168.2	0	0	110.5	V253 K254 T257	V253-E259 HydrophobicContact CG1-CB 4.04Å; K254-E259 VanDerWaalsContact CA-O 3.3Å; K254-E259 WeakPolarHBondContact CA-O 3.35Å; T257-E259 PolarHBondContact O-N 2.91Å; T257-E259 VanDerWaalsContact OG1-CB 3.26Å; T257-E259 WeakPolarHBondContact OG1-CB 3.45Å; T257-E259 PolarHBondContact OG1-N 2.75Å; T257-E259 VanDerWaalsContact OG1-N 3.13Å
260	D	93	Very high	93.8	Very high	120 Å²	120	74.1 Å²	74.1	64%	0.642	39%	0.394	S	S	*	.			trans	-92.7	110.7	173.6	-106.7	-52.7	0	0	0	109.4	K254	K254-D260 WeakPolarHBondContact CD-OD1 3.28Å; K254-D260 WeakPolarHBondContact CE-OD1 3.48Å; K254-D260 VanDerWaalsContact CE-OD2 3.28Å; K254-D260 WeakPolarHBondContact CE-OD2 3.4Å; K254-D260 IonicContact NZ-OD1 3.2Å; K254-D260 PolarHBondContact NZ-OD1 3.31Å; K254-D260 IonicContact NZ-OD2 2.76Å; K254-D260 PolarHBondContact NZ-OD2 3.25Å
261	V	94.8	Very high	94	Very high	27 Å²	27	75 Å²	75	16%	0.164	40%	0.399	C	S	.	.			trans	-142.5	143.9	-175.1	66.9	0	0	0	0	110.5	P250 V253 E265 L266	P250-V261 HydrophobicContact CB-CG1 4.47Å; P250-V261 WeakPolarHBondContact CB-O 3.29Å; V253-V261 HydrophobicContact CG1-CG1 4.13Å; V261-E265 HydrophobicContact CG2-CB 3.57Å; V261-L266 HydrophobicContact CG1-CB 4.2Å; V261-L266 HydrophobicContact CG1-CD1 4.37Å; V261-L266 HydrophobicContact CG1-CD2 4.44Å; V261-L266 HydrophobicContact CG2-CB 4.01Å
262	T	94.9	Very high	94.4	Very high	73 Å²	73	69.4 Å²	69.4	45%	0.448	37%	0.368	S	S	.	.			trans	-84.7	168.2	175.2	64.8	0	0	0	0	112.6	E264 E265 L266	T262-E264 VanDerWaalsContact C-N 3.34Å; T262-E264 PolarHBondContact O-N 2.76Å; T262-E265 VanDerWaalsContact CB-OE2 3.27Å; T262-E265 WeakPolarHBondContact CB-OE2 3.17Å; T262-E265 VanDerWaalsContact CG2-OE2 3.29Å; T262-E265 WeakPolarHBondContact CG2-OE2 3.38Å; T262-E265 PolarHBondContact N-OE2 3.2Å; T262-E265 PolarHBondContact O-N 2.94Å; T262-E265 VanDerWaalsContact OG1-CD 3.22Å; T262-E265 VanDerWaalsContact OG1-CG 3.29Å; T262-E265 WeakPolarHBondContact OG1-CG 3.42Å; T262-E265 PolarHBondContact OG1-N 2.77Å; T262-E265 PolarHBondContact OG1-OE2 3.35Å; T262-L266 VanDerWaalsContact O-CB 3.25Å; T262-L266 WeakPolarHBondContact O-CB 3.12Å; T262-L266 PolarHBondContact O-N 2.83Å
263	Q	93.9	Very high	94.8	Very high	89 Å²	89	66.3 Å²	66.3	42%	0.416	35%	0.35	S	S	.	.	H	α-helix	trans	-61.1	-39.6	176	-70.6	-179.5	-20.5	0	0	112.8	Y244 F246 P250 G267 G268	Y244-Q263 HydrophobicContact CD1-CB 4.46Å; F246-Q263 HydrophobicContact CE1-CB 4.3Å; F246-Q263 HydrophobicContact CE1-CG 4.19Å; F246-Q263 HydrophobicContact CZ-CG 4.34Å; P250-Q263 HydrophobicContact CG-CG 3.85Å; Q263-G267 PolarHBondContact O-N 3.38Å; Q263-G268 PolarHBondContact O-N 3.18Å
264	E	93.6	Very high	95	Very high	60 Å²	60	68 Å²	68	28%	0.28	36%	0.36	S	S	.	.	H	α-helix	trans	-72.5	-38.9	179.4	-178.3	57.7	-146.6	0	0	111.6	T262 G268 A269 T271	T262-E264 VanDerWaalsContact C-N 3.34Å; T262-E264 PolarHBondContact O-N 2.76Å; E264-G268 VanDerWaalsContact CD-CA 3.43Å; E264-G268 WeakPolarHBondContact O-CA 3.46Å; E264-G268 PolarHBondContact O-N 2.91Å; E264-G268 WeakPolarHBondContact OE1-CA 3.43Å; E264-G268 VanDerWaalsContact OE2-CA 3.26Å; E264-G268 WeakPolarHBondContact OE2-CA 3.19Å; E264-A269 PolarHBondContact OE1-N 3.14Å; E264-T271 PolarHBondContact O-OG1 2.95Å
265	E	94.9	Very high	95.2	Very high	116 Å²	116	68.3 Å²	68.3	54%	0.542	37%	0.37	S	S	.	.	H	α-helix	trans	-65.3	-46	174.9	-71.3	162	142.9	0	0	111.5	V261 T262 T271	V261-E265 HydrophobicContact CG2-CB 3.57Å; T262-E265 VanDerWaalsContact CB-OE2 3.27Å; T262-E265 WeakPolarHBondContact CB-OE2 3.17Å; T262-E265 VanDerWaalsContact CG2-OE2 3.29Å; T262-E265 WeakPolarHBondContact CG2-OE2 3.38Å; T262-E265 PolarHBondContact N-OE2 3.2Å; T262-E265 PolarHBondContact O-N 2.94Å; T262-E265 VanDerWaalsContact OG1-CD 3.22Å; T262-E265 VanDerWaalsContact OG1-CG 3.29Å; T262-E265 WeakPolarHBondContact OG1-CG 3.42Å; T262-E265 PolarHBondContact OG1-N 2.77Å; T262-E265 PolarHBondContact OG1-OE2 3.35Å; E265-T271 PolarHBondContact O-OG1 2.99Å
266	L	95.1	Very high	95.4	Very high	47 Å²	47	66.5 Å²	66.5	25%	0.246	36%	0.357	C	S	.	.	H	α-helix	trans	-67.9	-43.4	-176.9	-179	62.1	0	0	0	113.3	F246 T248 P250 V253 V261 T262	F246-L266 HydrophobicContact CB-CD2 4.33Å; F246-L266 HydrophobicContact CB-CG 4.43Å; F246-L266 HydrophobicContact CD1-CD2 4.1Å; F246-L266 HydrophobicContact CD1-CG 4.37Å; F246-L266 HydrophobicContact CG-CD2 4.2Å; T248-L266 WeakPolarHBondContact O-CD2 3.18Å; P250-L266 HydrophobicContact CG-CD2 3.79Å; V253-L266 HydrophobicContact CG2-CD1 4.47Å; V253-L266 HydrophobicContact CG2-CD2 4.11Å; V261-L266 HydrophobicContact CG1-CB 4.2Å; V261-L266 HydrophobicContact CG1-CD1 4.37Å; V261-L266 HydrophobicContact CG1-CD2 4.44Å; V261-L266 HydrophobicContact CG2-CB 4.01Å; T262-L266 VanDerWaalsContact O-CB 3.25Å; T262-L266 WeakPolarHBondContact O-CB 3.12Å; T262-L266 PolarHBondContact O-N 2.83Å
267	G	96.8	Very high	95.4	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-148	15.8	-167.3	0	0	0	0	0	115.1	Y244 L245 Q263 H272	Y244-G267 CarbonylContact C-O 3.6Å; Y244-G267 WeakPolarHBondContact CA-O 3.44Å; Y244-G267 WeakPolarHBondContact CB-O 3.49Å; L245-G267 PolarHBondContact N-O 3.07Å; L245-G267 VanDerWaalsContact O-CA 3.23Å; L245-G267 WeakPolarHBondContact O-CA 3.49Å; Q263-G267 PolarHBondContact O-N 3.38Å; G267-H272 WeakPolarHBondContact CA-NE2 3.4Å; G267-H272 PolarHBondContact O-CD2 3.39Å; G267-H272 PolarHBondContact O-NE2 2.7Å
268	G	97.6	Very high	95.8	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.328	C	S	.	.	B	Isolated β-bridge	trans	-68.6	166.6	179.5	0	0	0	0	0	114.2	Q263 E264 K270 T271 H272	Q263-G268 PolarHBondContact O-N 3.18Å; E264-G268 VanDerWaalsContact CD-CA 3.43Å; E264-G268 WeakPolarHBondContact O-CA 3.46Å; E264-G268 PolarHBondContact O-N 2.91Å; E264-G268 WeakPolarHBondContact OE1-CA 3.43Å; E264-G268 VanDerWaalsContact OE2-CA 3.26Å; E264-G268 WeakPolarHBondContact OE2-CA 3.19Å; G268-K270 PolarHBondContact O-N 3.19Å; G268-T271 PolarHBondContact O-N 2.95Å; G268-T271 VanDerWaalsContact O-N 3.11Å; G268-H272 PolarHBondContact O-N 3.11Å; G268-H272 VanDerWaalsContact O-N 3.14Å
269	A	97.5	Very high	96.2	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-58.5	-33.8	-177.3	0	0	0	0	0	112.3	M238 K240 E264 T273 A282	M238-A269 HydrophobicContact CB-CB 3.89Å; M238-A269 HydrophobicContact CE-CB 4.22Å; M238-A269 HydrophobicContact SD-CB 4.42Å; K240-A269 HydrophobicContact CG-CB 4.32Å; E264-A269 PolarHBondContact OE1-N 3.14Å; A269-T273 WeakPolarHBondContact O-CB 3.37Å; A269-T273 WeakPolarHBondContact O-CG2 3.36Å; A269-T273 PolarHBondContact O-N 3.3Å; A269-T273 PolarHBondContact O-OG1 3.45Å; A269-A282 HydrophobicContact CB-CB 3.97Å
270	K	97.3	Very high	96.6	Very high	150 Å²	150	49.7 Å²	49.7	65%	0.652	27%	0.27	S	S	*	.	H	α-helix	trans	-67	-48.3	175.6	-175	-179.2	176.7	-173.8	0	111.7	G268 H272 T273 T274	G268-K270 PolarHBondContact O-N 3.19Å; K270-H272 VanDerWaalsContact C-N 3.34Å; K270-H272 PolarHBondContact O-N 2.82Å; K270-T273 PolarHBondContact O-N 3.42Å; K270-T273 PolarHBondContact O-OG1 3.46Å; K270-T274 HydrophobicContact CG-CG2 4.5Å; K270-T274 WeakPolarHBondContact O-CB 3.39Å; K270-T274 PolarHBondContact O-N 3.47Å; K270-T274 PolarHBondContact O-OG1 3.2Å
271	T	97.6	Very high	96.8	Very high	33 Å²	33	47 Å²	47	20%	0.202	25%	0.251	C	S	.	.	H	α-helix	trans	-59.2	-44.1	-179.1	-63	0	0	0	0	111.2	E264 E265 G268 V275 S276	E264-T271 PolarHBondContact O-OG1 2.95Å; E265-T271 PolarHBondContact O-OG1 2.99Å; G268-T271 PolarHBondContact O-N 2.95Å; G268-T271 VanDerWaalsContact O-N 3.11Å; T271-V275 WeakPolarHBondContact O-CA 3.18Å; T271-V275 WeakPolarHBondContact O-CB 3.32Å; T271-V275 PolarHBondContact O-N 3.19Å; T271-S276 PolarHBondContact O-N 3.32Å; T271-S276 VanDerWaalsContact O-N 3.07Å
272	H	98.4	Very high	96.9	Very high	18 Å²	18	46.8 Å²	46.8	8%	0.083	25%	0.252	C	S	.	.	H	α-helix	trans	-76.3	-24.3	-179.5	-69.3	-43.3	0	0	0	115.8	M238 L245 G267 G268 K270 S276 G277 V278 A279	M238-H272 HydrophobicContact SD-CB 3.85Å; L245-H272 VanDerWaalsContact CB-NE2 3.32Å; L245-H272 WeakPolarHBondContact CB-NE2 3.46Å; L245-H272 PolarHBondContact O-NE2 2.86Å; G267-H272 WeakPolarHBondContact CA-NE2 3.4Å; G267-H272 PolarHBondContact O-CD2 3.39Å; G267-H272 PolarHBondContact O-NE2 2.7Å; G268-H272 PolarHBondContact O-N 3.11Å; G268-H272 VanDerWaalsContact O-N 3.14Å; K270-H272 VanDerWaalsContact C-N 3.34Å; K270-H272 PolarHBondContact O-N 2.82Å; H272-S276 PolarHBondContact ND1-OG 3.01Å; H272-G277 PolarHBondContact O-N 3.39Å; H272-V278 HydrophobicContact CB-CB 4.28Å; H272-V278 PolarHBondContact O-N 3.03Å; H272-A279 HydrophobicContact CB-CB 3.65Å; H272-A279 PolarHBondContact O-N 3.31Å
273	T	98.3	Very high	97.1	Very high	12 Å²	12	43.3 Å²	43.3	7%	0.074	23%	0.231	C	C	.	.	H	α-helix	trans	-93.3	-9.4	177.1	56.1	0	0	0	0	114.6	A269 K270 A279 A282 N357 Y358	A269-T273 WeakPolarHBondContact O-CB 3.37Å; A269-T273 WeakPolarHBondContact O-CG2 3.36Å; A269-T273 PolarHBondContact O-N 3.3Å; A269-T273 PolarHBondContact O-OG1 3.45Å; K270-T273 PolarHBondContact O-N 3.42Å; K270-T273 PolarHBondContact O-OG1 3.46Å; T273-A279 HydrophobicContact CG2-CB 3.63Å; T273-A282 HydrophobicContact CG2-CB 3.84Å; T273-N357 CarbonylContact O-C 3.52Å; T273-N357 VanDerWaalsContact O-CB 3.24Å; T273-N357 WeakPolarHBondContact O-CB 3.5Å; T273-Y358 WeakPolarHBondContact O-CB 3.4Å; T273-Y358 PolarHBondContact O-N 3.05Å
274	T	97.8	Very high	97.3	Very high	54 Å²	54	44.3 Å²	44.3	33%	0.331	24%	0.235	S	C	.	.	H	α-helix	trans	-121.5	-37.5	-179.7	59.3	0	0	0	0	114.2	K270 N357	K270-T274 HydrophobicContact CG-CG2 4.5Å; K270-T274 WeakPolarHBondContact O-CB 3.39Å; K270-T274 PolarHBondContact O-N 3.47Å; K270-T274 PolarHBondContact O-OG1 3.2Å; T274-N357 HydrophobicContact CG2-CB 3.92Å
275	V	97	Very high	97.5	Very high	103 Å²	103	44.5 Å²	44.5	62%	0.624	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.6	-56	-172	-174.8	0	0	0	0	111.8	T271 Y358	T271-V275 WeakPolarHBondContact O-CA 3.18Å; T271-V275 WeakPolarHBondContact O-CB 3.32Å; T271-V275 PolarHBondContact O-N 3.19Å; V275-Y358 WeakPolarHBondContact O-CE2 3.42Å
276	S	97.4	Very high	97.7	Very high	51 Å²	51	39.1 Å²	39.1	36%	0.357	21%	0.213	S	C	.	.	S	Bend	trans	-88.5	-16.7	-169.2	90	0	0	0	0	114.7	T271 H272 V278	T271-S276 PolarHBondContact O-N 3.32Å; T271-S276 VanDerWaalsContact O-N 3.07Å; H272-S276 PolarHBondContact ND1-OG 3.01Å; S276-V278 PolarHBondContact O-N 3.21Å; S276-V278 WeakPolarHBondContact OG-CB 3.39Å; S276-V278 VanDerWaalsContact OG-CG2 3.26Å; S276-V278 WeakPolarHBondContact OG-CG2 3.25Å; S276-V278 PolarHBondContact OG-N 3.39Å
277	G	96.9	Very high	97.9	Very high	18 Å²	18	39.9 Å²	39.9	19%	0.186	22%	0.22	C	C	.	.			trans	63.9	22.4	-176.9	0	0	0	0	0	115	H272 M355	H272-G277 PolarHBondContact O-N 3.39Å; G277-M355 WeakPolarHBondContact O-CE 3.48Å
278	V	97.9	Very high	97.9	Very high	59 Å²	59	42.7 Å²	42.7	36%	0.358	23%	0.233	S	C	.	.			trans	-82.3	-34.8	178.2	168.2	0	0	0	0	111.3	L245 H272 S276	L245-V278 HydrophobicContact CD1-CG1 4.21Å; H272-V278 HydrophobicContact CB-CB 4.28Å; H272-V278 PolarHBondContact O-N 3.03Å; S276-V278 PolarHBondContact O-N 3.21Å; S276-V278 WeakPolarHBondContact OG-CB 3.39Å; S276-V278 VanDerWaalsContact OG-CG2 3.26Å; S276-V278 WeakPolarHBondContact OG-CG2 3.25Å; S276-V278 PolarHBondContact OG-N 3.39Å
279	A	98.3	Very high	98	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	23%	0.233	C	C	.	.			trans	-101.9	139	179.7	0	0	0	0	0	111.2	T236 M238 H272 T273	T236-A279 CarbonylContact O-C 3.51Å; T236-A279 WeakPolarHBondContact O-CA 3.33Å; M238-A279 HydrophobicContact CG-CB 3.86Å; M238-A279 HydrophobicContact SD-CB 3.63Å; H272-A279 HydrophobicContact CB-CB 3.65Å; H272-A279 PolarHBondContact O-N 3.31Å; T273-A279 HydrophobicContact CG2-CB 3.63Å
280	H	98.6	Very high	98.1	Very high	11 Å²	11	42.6 Å²	42.6	5%	0.051	23%	0.232	C	C	.	.	S	Bend	trans	-89.7	-29.9	-172.2	-62.6	71.4	0	0	0	111.8	F235 T236 F237 I354 M355	F235-H280 HydrophobicContact CD1-CB 4.36Å; F235-H280 AromaticContact CD1-CD2 3.72Å; T236-H280 PolarHBondContact N-ND1 3.32Å; T236-H280 WeakPolarHBondContact O-CB 3.35Å; T236-H280 PolarHBondContact O-N 2.64Å; T236-H280 PolarHBondContact O-ND1 3.39Å; F237-H280 HydrophobicContact CD1-CB 4.14Å; F237-H280 HydrophobicContact CE1-CB 3.9Å; H280-I354 HydrophobicContact CB-CG2 4.34Å; H280-M355 HydrophobicContact CB-CG 4.32Å; H280-M355 WeakPolarHBondContact O-CA 3.26Å; H280-M355 PolarHBondContact O-N 3.03Å
281	R	98.1	Very high	98.1	Very high	65 Å²	65	39.3 Å²	39.3	25%	0.245	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	156.4	172.5	-164.2	164.6	166.2	-169.8	-12.6	109	F237 M238 F283 N292 F352	F237-R281 WeakPolarHBondContact CA-O 3.31Å; F237-R281 HydrophobicContact CD1-CB 3.64Å; F237-R281 HydrophobicContact CE1-CB 3.82Å; M238-R281 PolarHBondContact N-O 3.41Å; M238-R281 VanDerWaalsContact N-O 3.07Å; R281-F283 HydrophobicContact CB-CZ 4.28Å; R281-F283 HydrophobicContact CG-CE1 4.06Å; R281-F283 HydrophobicContact CG-CZ 4.07Å; R281-N292 PolarHBondContact NH2-OD1 3.46Å; R281-N292 VanDerWaalsContact NH2-OD1 3.13Å; R281-F352 VanDerWaalsContact NH1-CE2 3.28Å; R281-F352 VanDerWaalsContact NH1-CZ 3.34Å
282	A	98.1	Very high	98.1	Very high	21 Å²	21	38.9 Å²	38.9	17%	0.174	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	141.4	171.3	0	0	0	0	0	110	M238 K240 A269 T273	M238-A282 HydrophobicContact CB-CB 4.46Å; M238-A282 CarbonylContact O-C 3.48Å; M238-A282 VanDerWaalsContact O-CA 3.23Å; M238-A282 WeakPolarHBondContact O-CA 3.5Å; K240-A282 HydrophobicContact CG-CB 4.1Å; A269-A282 HydrophobicContact CB-CB 3.97Å; T273-A282 HydrophobicContact CG2-CB 3.84Å
283	F	98.4	Very high	98.1	Very high	1 Å²	1	38 Å²	38	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	156.1	-176.8	-56.6	-73.3	0	0	0	110.7	F237 M238 K240 R281 N285 E288 A289 N292 F352	F237-F283 HydrophobicContact CB-CD2 4.5Å; F237-F283 HydrophobicContact CB-CE2 3.91Å; F237-F283 HydrophobicContact CD1-CE2 4.19Å; F237-F283 AromaticContact CG-CE2 3.97Å; F237-F283 HydrophobicContact CG-CE2 3.97Å; M238-F283 PolarHBondContact O-N 2.85Å; K240-F283 WeakPolarHBondContact CG-O 3.46Å; K240-F283 PolarHBondContact N-O 3.23Å; R281-F283 HydrophobicContact CB-CZ 4.28Å; R281-F283 HydrophobicContact CG-CE1 4.06Å; R281-F283 HydrophobicContact CG-CZ 4.07Å; F283-N285 VanDerWaalsContact C-N 3.34Å; F283-N285 PolarHBondContact O-N 2.93Å; F283-E288 HydrophobicContact CB-CG 4.38Å; F283-E288 HydrophobicContact CD1-CG 4.48Å; F283-A289 HydrophobicContact CB-CB 3.82Å; F283-A289 HydrophobicContact CD2-CB 3.63Å; F283-A289 HydrophobicContact CG-CB 3.97Å; F283-N292 HydrophobicContact CD1-CB 3.97Å; F283-N292 HydrophobicContact CE1-CB 3.32Å; F283-N292 WeakPolarHBondContact CE1-OD1 3.34Å; F283-N292 HydrophobicContact CE2-CB 4.36Å; F283-N292 HydrophobicContact CZ-CB 3.55Å; F283-F352 HydrophobicContact CZ-CZ 4.43Å
284	E	98.1	Very high	98.1	Very high	109 Å²	109	39.4 Å²	39.4	51%	0.509	22%	0.217	S	C	.	.	S	Bend	trans	-68.5	-30.3	-173.1	-49.8	-58.5	155.6	0	0	113.4	K240 E288	K240-E284 VanDerWaalsContact CD-OE2 3.29Å; K240-E284 WeakPolarHBondContact CD-OE2 3.26Å; K240-E284 WeakPolarHBondContact CE-OE2 3.28Å; K240-E284 IonicContact NZ-OE1 3.64Å; K240-E284 PolarHBondContact NZ-OE1 2.98Å; K240-E284 IonicContact NZ-OE2 2.77Å; K240-E284 PolarHBondContact NZ-OE2 3Å; E284-E288 VanDerWaalsContact CB-OE2 3.31Å; E284-E288 WeakPolarHBondContact CB-OE2 3.43Å; E284-E288 VanDerWaalsContact CG-OE2 3.26Å; E284-E288 WeakPolarHBondContact CG-OE2 3.5Å
285	N	98.3	Very high	98.1	Very high	65 Å²	65	42.1 Å²	42.1	35%	0.348	23%	0.226	S	C	.	.	S	Bend	trans	-157.9	168.5	-175.5	61.3	81.1	0	0	0	112.5	V239 F283 V287 E288 A289	V239-N285 VanDerWaalsContact CG1-CA 3.49Å; F283-N285 VanDerWaalsContact C-N 3.34Å; F283-N285 PolarHBondContact O-N 2.93Å; N285-V287 VanDerWaalsContact C-N 3.3Å; N285-V287 PolarHBondContact O-N 3.16Å; N285-V287 WeakPolarHBondContact OD1-CB 3.42Å; N285-V287 PolarHBondContact OD1-N 3.3Å; N285-E288 PolarHBondContact O-N 3.45Å; N285-E288 PolarHBondContact OD1-N 2.91Å; N285-A289 WeakPolarHBondContact O-CB 3.44Å; N285-A289 PolarHBondContact O-N 2.83Å
286	D	98.6	Very high	98.1	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.016	20%	0.197	C	C	.	.	H	α-helix	trans	-53.5	-40.7	179.3	-80.2	17.1	0	0	0	113.7	L86 R91 M219 L290	L86-D286 HydrophobicContact CB-CB 4.41Å; L86-D286 WeakPolarHBondContact CB-OD2 3.39Å; L86-D286 HydrophobicContact CD1-CB 3.94Å; L86-D286 HydrophobicContact CG-CB 3.93Å; L86-D286 PolarHBondContact N-OD2 2.98Å; R91-D286 IonicContact CZ-OD2 3.6Å; R91-D286 IonicContact NE-OD2 3.46Å; R91-D286 PolarHBondContact NE-OD2 3.05Å; R91-D286 IonicContact NH2-OD1 3.31Å; R91-D286 IonicContact NH2-OD2 2.66Å; R91-D286 PolarHBondContact NH2-OD2 3.27Å; M219-D286 HydrophobicContact CE-CB 3.61Å; M219-D286 VanDerWaalsContact CE-CG 3.45Å; D286-L290 WeakPolarHBondContact O-CD1 3.47Å; D286-L290 VanDerWaalsContact O-CG 3.23Å; D286-L290 WeakPolarHBondContact O-CG 3.22Å; D286-L290 PolarHBondContact O-N 3.4Å; D286-L290 VanDerWaalsContact O-N 3.13Å
287	V	98.6	Very high	98.2	Very high	63 Å²	63	34.8 Å²	34.8	38%	0.382	18%	0.18	S	C	.	.	H	α-helix	trans	-69.8	-50	-176.1	174.9	0	0	0	0	110.4	L86 L94 N285 A289 L290 L291	L86-V287 HydrophobicContact CD1-CG2 4.22Å; L94-V287 HydrophobicContact CD2-CB 4.11Å; L94-V287 HydrophobicContact CD2-CG1 4.02Å; L94-V287 HydrophobicContact CD2-CG2 3.91Å; N285-V287 VanDerWaalsContact C-N 3.3Å; N285-V287 PolarHBondContact O-N 3.16Å; N285-V287 WeakPolarHBondContact OD1-CB 3.42Å; N285-V287 PolarHBondContact OD1-N 3.3Å; V287-A289 VanDerWaalsContact C-N 3.3Å; V287-A289 PolarHBondContact O-N 3.42Å; V287-L290 PolarHBondContact O-N 3.02Å; V287-L291 HydrophobicContact CG1-CD1 4.03Å; V287-L291 WeakPolarHBondContact O-CG 3.16Å; V287-L291 PolarHBondContact O-N 2.77Å
288	E	98.3	Very high	98.1	Very high	58 Å²	58	36.3 Å²	36.3	27%	0.271	18%	0.184	S	C	.	.	H	α-helix	trans	-58.9	-42.3	176.2	-176.2	-169.7	136.6	0	0	111.7	F283 E284 N285 L290 L291 N292	F283-E288 HydrophobicContact CB-CG 4.38Å; F283-E288 HydrophobicContact CD1-CG 4.48Å; E284-E288 VanDerWaalsContact CB-OE2 3.31Å; E284-E288 WeakPolarHBondContact CB-OE2 3.43Å; E284-E288 VanDerWaalsContact CG-OE2 3.26Å; E284-E288 WeakPolarHBondContact CG-OE2 3.5Å; N285-E288 PolarHBondContact O-N 3.45Å; N285-E288 PolarHBondContact OD1-N 2.91Å; E288-L290 PolarHBondContact O-N 2.69Å; E288-L291 PolarHBondContact O-N 3.47Å; E288-N292 WeakPolarHBondContact CG-ND2 3.35Å; E288-N292 WeakPolarHBondContact O-CB 3.49Å; E288-N292 PolarHBondContact O-N 2.99Å; E288-N292 PolarHBondContact O-ND2 2.73Å
289	A	98.6	Very high	98.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-61.7	-43.2	179.7	0	0	0	0	0	112.5	L217 V239 F283 N285 V287 L293	L217-A289 HydrophobicContact CD1-CB 3.99Å; L217-A289 HydrophobicContact CD2-CB 3.91Å; V239-A289 HydrophobicContact CG2-CB 3.98Å; F283-A289 HydrophobicContact CB-CB 3.82Å; F283-A289 HydrophobicContact CD2-CB 3.63Å; F283-A289 HydrophobicContact CG-CB 3.97Å; N285-A289 WeakPolarHBondContact O-CB 3.44Å; N285-A289 PolarHBondContact O-N 2.83Å; V287-A289 VanDerWaalsContact C-N 3.3Å; V287-A289 PolarHBondContact O-N 3.42Å; A289-L293 VanDerWaalsContact O-CB 3.24Å; A289-L293 WeakPolarHBondContact O-CB 3.32Å; A289-L293 PolarHBondContact O-N 2.76Å
290	L	98.7	Very high	98.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-72.9	-35.7	179.9	-66	169.7	0	0	0	112.1	R91 L94 L95 L180 L217 M219 D286 V287 E288 L293 R294	R91-L290 HydrophobicContact CB-CD1 3.94Å; R91-L290 HydrophobicContact CG-CD1 4.07Å; L94-L290 HydrophobicContact CB-CD1 4.26Å; L94-L290 HydrophobicContact CD2-CB 4.33Å; L94-L290 HydrophobicContact CD2-CD1 3.99Å; L94-L290 HydrophobicContact CG-CB 4.37Å; L94-L290 HydrophobicContact CG-CD1 4.32Å; L95-L290 HydrophobicContact CB-CD2 4.17Å; L95-L290 HydrophobicContact CD1-CD2 4.19Å; L180-L290 HydrophobicContact CD1-CD2 4.19Å; L180-L290 HydrophobicContact CD2-CD2 4.03Å; L217-L290 HydrophobicContact CD2-CD2 3.65Å; L217-L290 HydrophobicContact CD2-CG 4.26Å; M219-L290 HydrophobicContact CE-CD1 3.91Å; M219-L290 HydrophobicContact CE-CD2 4.08Å; M219-L290 HydrophobicContact CE-CG 3.8Å; M219-L290 HydrophobicContact SD-CD2 4.2Å; D286-L290 WeakPolarHBondContact O-CD1 3.47Å; D286-L290 VanDerWaalsContact O-CG 3.23Å; D286-L290 WeakPolarHBondContact O-CG 3.22Å; D286-L290 PolarHBondContact O-N 3.4Å; D286-L290 VanDerWaalsContact O-N 3.13Å; V287-L290 PolarHBondContact O-N 3.02Å; E288-L290 PolarHBondContact O-N 2.69Å; L290-L293 PolarHBondContact O-N 3.21Å; L290-R294 WeakPolarHBondContact O-CG 3.48Å; L290-R294 PolarHBondContact O-N 2.82Å; L290-R294 VanDerWaalsContact O-N 3.08Å
291	L	98.4	Very high	98	Very high	81 Å²	81	33.3 Å²	33.3	42%	0.424	17%	0.166	S	C	.	.	H	α-helix	trans	-65.8	-48.6	173.1	-68	173.9	0	0	0	111.9	V287 E288 L293 R294 E295	V287-L291 HydrophobicContact CG1-CD1 4.03Å; V287-L291 WeakPolarHBondContact O-CG 3.16Å; V287-L291 PolarHBondContact O-N 2.77Å; E288-L291 PolarHBondContact O-N 3.47Å; L291-L293 PolarHBondContact O-N 3.06Å; L291-R294 WeakPolarHBondContact O-CB 3.38Å; L291-R294 PolarHBondContact O-N 2.85Å; L291-R294 VanDerWaalsContact O-N 3.08Å; L291-E295 PolarHBondContact O-N 3.39Å; L291-E295 VanDerWaalsContact O-N 3.1Å
292	N	98.3	Very high	98	Very high	23 Å²	23	31.9 Å²	31.9	12%	0.123	16%	0.163	C	C	.	.	H	α-helix	trans	-61.8	-32.7	175.1	-83.4	-106.5	0	0	0	111.7	R281 F283 E288 E295 F296	R281-N292 PolarHBondContact NH2-OD1 3.46Å; R281-N292 VanDerWaalsContact NH2-OD1 3.13Å; F283-N292 HydrophobicContact CD1-CB 3.97Å; F283-N292 HydrophobicContact CE1-CB 3.32Å; F283-N292 WeakPolarHBondContact CE1-OD1 3.34Å; F283-N292 HydrophobicContact CE2-CB 4.36Å; F283-N292 HydrophobicContact CZ-CB 3.55Å; E288-N292 WeakPolarHBondContact CG-ND2 3.35Å; E288-N292 WeakPolarHBondContact O-CB 3.49Å; E288-N292 PolarHBondContact O-N 2.99Å; E288-N292 PolarHBondContact O-ND2 2.73Å; N292-E295 PolarHBondContact O-N 3.19Å; N292-F296 VanDerWaalsContact O-CB 3.29Å; N292-F296 WeakPolarHBondContact O-CB 3.48Å; N292-F296 PolarHBondContact O-N 3.4Å
293	L	98.5	Very high	98.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-67	-36.7	174.6	-179.9	55.2	0	0	0	112.1	L95 I178 L180 I215 L217 F237 A289 L290 L291 F296 F297	L95-L293 HydrophobicContact CD1-CB 4.45Å; L95-L293 HydrophobicContact CD1-CD2 3.9Å; L95-L293 HydrophobicContact CD1-CG 4.06Å; I178-L293 HydrophobicContact CD1-CD2 4.27Å; I178-L293 HydrophobicContact CD1-CG 4.42Å; I178-L293 HydrophobicContact CG2-CD2 3.88Å; L180-L293 HydrophobicContact CD2-CD2 4.5Å; I215-L293 HydrophobicContact CB-CD1 4.49Å; I215-L293 HydrophobicContact CD1-CD1 3.91Å; I215-L293 HydrophobicContact CG2-CD1 3.74Å; L217-L293 HydrophobicContact CB-CD2 4.43Å; L217-L293 HydrophobicContact CD2-CD2 4.1Å; F237-L293 HydrophobicContact CD2-CD1 4.39Å; F237-L293 HydrophobicContact CE2-CD1 4.28Å; A289-L293 VanDerWaalsContact O-CB 3.24Å; A289-L293 WeakPolarHBondContact O-CB 3.32Å; A289-L293 PolarHBondContact O-N 2.76Å; L290-L293 PolarHBondContact O-N 3.21Å; L291-L293 PolarHBondContact O-N 3.06Å; L293-F296 HydrophobicContact CD1-CD1 4.18Å; L293-F296 PolarHBondContact O-N 3.19Å; L293-F297 VanDerWaalsContact O-CB 3.27Å; L293-F297 WeakPolarHBondContact O-CB 3.44Å; L293-F297 PolarHBondContact O-N 3.3Å
294	R	98.2	Very high	98	Very high	41 Å²	41	33.3 Å²	33.3	16%	0.155	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-37.8	172.2	-69.3	178.1	60.6	90.2	2.2	112.4	L95 L96 D97 I136 N137 L290 L291	L95-R294 HydrophobicContact CD1-CG 4.14Å; L95-R294 VanDerWaalsContact O-CD 3.29Å; L95-R294 WeakPolarHBondContact O-CD 3.4Å; L95-R294 WeakPolarHBondContact O-CG 3.43Å; L95-R294 PolarHBondContact O-NH1 3.43Å; L96-R294 VanDerWaalsContact C-NH1 3.32Å; D97-R294 IonicContact OD1-CZ 2.69Å; D97-R294 VanDerWaalsContact OD1-CZ 3.29Å; D97-R294 IonicContact OD1-NH1 3.38Å; D97-R294 PolarHBondContact OD1-NH1 2.92Å; D97-R294 IonicContact OD1-NH2 3.49Å; D97-R294 PolarHBondContact OD1-NH2 2.83Å; I136-R294 HydrophobicContact CG2-CB 4.13Å; I136-R294 HydrophobicContact CG2-CG 4.03Å; N137-R294 PolarHBondContact OD1-NH2 2.75Å; L290-R294 WeakPolarHBondContact O-CG 3.48Å; L290-R294 PolarHBondContact O-N 2.82Å; L290-R294 VanDerWaalsContact O-N 3.08Å; L291-R294 WeakPolarHBondContact O-CB 3.38Å; L291-R294 PolarHBondContact O-N 2.85Å; L291-R294 VanDerWaalsContact O-N 3.08Å
295	E	96.4	Very high	98	Very high	111 Å²	111	35.6 Å²	35.6	52%	0.519	18%	0.179	S	C	.	.	H	α-helix	trans	-65.6	-48.6	173.7	-68.3	175.7	171.7	0	0	111.4	L291 N292 F297 N298	L291-E295 PolarHBondContact O-N 3.39Å; L291-E295 VanDerWaalsContact O-N 3.1Å; N292-E295 PolarHBondContact O-N 3.19Å; E295-F297 VanDerWaalsContact C-N 3.33Å; E295-F297 PolarHBondContact O-N 3.01Å; E295-N298 WeakPolarHBondContact O-CB 3.44Å; E295-N298 PolarHBondContact O-N 3.24Å; E295-N298 VanDerWaalsContact O-N 3.1Å
296	F	98.3	Very high	97.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.2	-43.6	176.7	178.9	-114.1	0	0	0	112.6	I215 F235 F237 N292 L293 N298 F299 L300 F352 I354 F366	I215-F296 HydrophobicContact CD1-CD1 3.97Å; I215-F296 HydrophobicContact CD1-CE1 3.82Å; I215-F296 HydrophobicContact CG1-CE1 4.29Å; F235-F296 HydrophobicContact CB-CE1 4.38Å; F235-F296 HydrophobicContact CB-CZ 4.47Å; F235-F296 HydrophobicContact CD1-CZ 4.01Å; F235-F296 AromaticContact CD2-CE1 3.85Å; F235-F296 HydrophobicContact CD2-CE1 3.85Å; F235-F296 AromaticContact CD2-CZ 3.53Å; F235-F296 HydrophobicContact CD2-CZ 3.53Å; F235-F296 HydrophobicContact CE1-CZ 4.13Å; F235-F296 HydrophobicContact CE2-CE1 4.35Å; F235-F296 AromaticContact CE2-CZ 3.65Å; F235-F296 HydrophobicContact CE2-CZ 3.65Å; F235-F296 HydrophobicContact CG-CE1 4.05Å; F235-F296 AromaticContact CG-CZ 3.72Å; F235-F296 HydrophobicContact CG-CZ 3.72Å; F235-F296 AromaticContact CZ-CZ 3.97Å; F235-F296 HydrophobicContact CZ-CZ 3.97Å; F237-F296 AromaticContact CE2-CD1 3.7Å; F237-F296 HydrophobicContact CE2-CD1 3.7Å; F237-F296 AromaticContact CE2-CE1 3.85Å; F237-F296 HydrophobicContact CE2-CE1 3.85Å; F237-F296 HydrophobicContact CE2-CG 4.23Å; F237-F296 AromaticContact CZ-CD1 3.97Å; F237-F296 HydrophobicContact CZ-CD1 3.97Å; F237-F296 HydrophobicContact CZ-CD2 4.38Å; F237-F296 AromaticContact CZ-CE1 3.95Å; F237-F296 HydrophobicContact CZ-CE1 3.95Å; F237-F296 HydrophobicContact CZ-CE2 4.37Å; F237-F296 HydrophobicContact CZ-CG 4.19Å; F237-F296 HydrophobicContact CZ-CZ 4.16Å; N292-F296 VanDerWaalsContact O-CB 3.29Å; N292-F296 WeakPolarHBondContact O-CB 3.48Å; N292-F296 PolarHBondContact O-N 3.4Å; L293-F296 HydrophobicContact CD1-CD1 4.18Å; L293-F296 PolarHBondContact O-N 3.19Å; F296-N298 PolarHBondContact O-N 3.07Å; F296-N298 VanDerWaalsContact O-N 3.13Å; F296-F299 PolarHBondContact O-N 3.16Å; F296-L300 HydrophobicContact CD1-CD1 4.42Å; F296-L300 HydrophobicContact CE1-CD1 3.8Å; F296-L300 HydrophobicContact CE1-CG 4.45Å; F296-L300 HydrophobicContact CZ-CD1 4.13Å; F296-L300 HydrophobicContact CZ-CD2 4.17Å; F296-L300 HydrophobicContact CZ-CG 4.47Å; F296-F352 HydrophobicContact CB-CD2 4.45Å; F296-F352 HydrophobicContact CB-CE1 4.25Å; F296-F352 HydrophobicContact CB-CE2 3.91Å; F296-F352 HydrophobicContact CB-CZ 3.79Å; F296-F352 AromaticContact CD2-CD1 3.61Å; F296-F352 HydrophobicContact CD2-CD1 3.61Å; F296-F352 AromaticContact CD2-CE1 3.49Å; F296-F352 HydrophobicContact CD2-CE1 3.49Å; F296-F352 VanDerWaalsContact CD2-CE1 3.49Å; F296-F352 HydrophobicContact CD2-CE2 4.45Å; F296-F352 HydrophobicContact CD2-CG 4.17Å; F296-F352 AromaticContact CD2-CZ 3.94Å; F296-F352 HydrophobicContact CD2-CZ 3.94Å; F296-F352 HydrophobicContact CE2-CD1 4.19Å; F296-F352 HydrophobicContact CE2-CE1 4.15Å; F296-F352 HydrophobicContact CG-CE1 4.1Å; F296-F352 HydrophobicContact CG-CZ 4.11Å; F296-I354 HydrophobicContact CE2-CD1 3.94Å; F296-F366 HydrophobicContact CD2-CD2 4.44Å; F296-F366 AromaticContact CE2-CD2 3.67Å; F296-F366 HydrophobicContact CE2-CD2 3.67Å; F296-F366 AromaticContact CE2-CE2 3.63Å; F296-F366 HydrophobicContact CE2-CE2 3.63Å; F296-F366 HydrophobicContact CZ-CE2 4.1Å
297	F	97.9	Very high	97.4	Very high	1 Å²	1	40 Å²	40	0%	0.004	21%	0.208	C	C	.	.	H	α-helix	trans	-57.9	-26.8	177.9	-173.5	-88.3	0	0	0	113.2	I136 R139 V141 P176 I178 L293 E295 F299 L300 L302	I136-F297 HydrophobicContact CB-CD1 3.78Å; I136-F297 HydrophobicContact CB-CE1 3.86Å; I136-F297 HydrophobicContact CB-CG 4.3Å; I136-F297 HydrophobicContact CB-CZ 4.43Å; I136-F297 HydrophobicContact CD1-CD1 4.46Å; I136-F297 HydrophobicContact CD1-CD2 4.11Å; I136-F297 HydrophobicContact CD1-CE2 4.37Å; I136-F297 HydrophobicContact CD1-CG 4.15Å; I136-F297 HydrophobicContact CG2-CB 4.21Å; I136-F297 HydrophobicContact CG2-CD1 3.59Å; I136-F297 HydrophobicContact CG2-CE1 4.19Å; I136-F297 HydrophobicContact CG2-CG 4.02Å; R139-F297 HydrophobicContact CB-CE1 4.01Å; R139-F297 PolarHBondContact NH1-O 3Å; V141-F297 HydrophobicContact CB-CE2 4.06Å; V141-F297 HydrophobicContact CB-CZ 4.06Å; V141-F297 HydrophobicContact CG2-CE2 3.86Å; V141-F297 HydrophobicContact CG2-CZ 4.37Å; P176-F297 HydrophobicContact CB-CE2 3.94Å; P176-F297 HydrophobicContact CG-CE2 3.73Å; P176-F297 HydrophobicContact CG-CZ 4.05Å; I178-F297 HydrophobicContact CD1-CD2 4.34Å; L293-F297 VanDerWaalsContact O-CB 3.27Å; L293-F297 WeakPolarHBondContact O-CB 3.44Å; L293-F297 PolarHBondContact O-N 3.3Å; E295-F297 VanDerWaalsContact C-N 3.33Å; E295-F297 PolarHBondContact O-N 3.01Å; F297-F299 PolarHBondContact O-N 3.38Å; F297-L300 PolarHBondContact O-N 3.35Å; F297-L302 HydrophobicContact CE1-CD2 4.49Å; F297-L302 HydrophobicContact CZ-CD2 4.01Å
298	N	95.4	Very high	97.1	Very high	50 Å²	50	37.7 Å²	37.7	27%	0.267	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-8.8	177.1	-70.4	-26.3	0	0	0	114.5	N137 E295 F296 P309 R368	N137-N298 VanDerWaalsContact ND2-CG 3.27Å; N137-N298 PolarHBondContact ND2-ND2 3.36Å; N137-N298 PolarHBondContact ND2-OD1 2.94Å; E295-N298 WeakPolarHBondContact O-CB 3.44Å; E295-N298 PolarHBondContact O-N 3.24Å; E295-N298 VanDerWaalsContact O-N 3.1Å; F296-N298 PolarHBondContact O-N 3.07Å; F296-N298 VanDerWaalsContact O-N 3.13Å; N298-P309 WeakPolarHBondContact O-CG 3.07Å; N298-R368 VanDerWaalsContact C-NH2 3.26Å; N298-R368 PolarHBondContact O-NH2 2.95Å
299	F	98	Very high	96.8	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.018	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-33.5	172.4	-66.4	-85.1	0	0	0	112.1	F296 F297 D350 F352 F366 R368 T373	F296-F299 PolarHBondContact O-N 3.16Å; F297-F299 PolarHBondContact O-N 3.38Å; F299-D350 WeakPolarHBondContact CZ-OD2 3.3Å; F299-F352 HydrophobicContact CE2-CB 3.92Å; F299-F352 HydrophobicContact CZ-CB 4.25Å; F299-F366 HydrophobicContact CB-CB 4.04Å; F299-F366 HydrophobicContact CB-CG 4.29Å; F299-F366 HydrophobicContact CD1-CB 3.73Å; F299-F366 HydrophobicContact CD2-CB 4.38Å; F299-F366 HydrophobicContact CE1-CB 4.24Å; F299-F366 HydrophobicContact CG-CB 3.79Å; F299-R368 HydrophobicContact CD1-CG 4.42Å; F299-R368 HydrophobicContact CE1-CG 4.19Å; F299-T373 HydrophobicContact CB-CG2 3.93Å; F299-T373 HydrophobicContact CD1-CG2 4.16Å; F299-T373 WeakPolarHBondContact O-CB 3.41Å; F299-T373 VanDerWaalsContact O-CG2 3.29Å; F299-T373 WeakPolarHBondContact O-CG2 3.44Å; F299-T373 PolarHBondContact O-OG1 2.77Å
300	L	98.1	Very high	96.5	Very high	2 Å²	2	42 Å²	42	1%	0.01	22%	0.221	C	C	.	.	S	Bend	trans	-81.3	147.1	-169.3	-49.7	-173.2	0	0	0	112.4	R139 P213 I215 F296 F297 P309 F366 F402	R139-L300 PolarHBondContact NH1-O 3.32Å; R139-L300 PolarHBondContact NH2-O 3.08Å; P213-L300 HydrophobicContact CB-CD1 3.98Å; P213-L300 HydrophobicContact CG-CB 4.44Å; I215-L300 HydrophobicContact CD1-CD1 3.97Å; F296-L300 HydrophobicContact CD1-CD1 4.42Å; F296-L300 HydrophobicContact CE1-CD1 3.8Å; F296-L300 HydrophobicContact CE1-CG 4.45Å; F296-L300 HydrophobicContact CZ-CD1 4.13Å; F296-L300 HydrophobicContact CZ-CD2 4.17Å; F296-L300 HydrophobicContact CZ-CG 4.47Å; F297-L300 PolarHBondContact O-N 3.35Å; L300-P309 WeakPolarHBondContact O-CD 3.43Å; L300-F366 HydrophobicContact CD2-CE2 4.43Å; L300-F366 HydrophobicContact CD2-CZ 4.24Å; L300-F402 HydrophobicContact CD1-CZ 4.41Å; L300-F402 HydrophobicContact CD2-CE1 3.8Å; L300-F402 HydrophobicContact CD2-CZ 3.83Å
301	P	97.9	Very high	96.2	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.242	C	C	.	.			trans	-66.7	178	162.4	33.6	-38.1	0	0	0	111.3	D306 F406	P301-D306 HydrophobicContact CB-CB 4.16Å; P301-F406 HydrophobicContact CG-CB 3.76Å; P301-F406 HydrophobicContact CG-CD1 4Å; P301-F406 HydrophobicContact CG-CG 4.26Å
302	L	98	Very high	95.9	Very high	36 Å²	36	51.1 Å²	51.1	19%	0.188	26%	0.256	C	S	.	.	S	Bend	trans	-87.9	-32.6	174.3	-64.2	-179.6	0	0	0	113	R139 G174 P176 P213 F297	R139-L302 HydrophobicContact CB-CD2 4.22Å; G174-L302 CarbonylContact O-C 3.54Å; G174-L302 WeakPolarHBondContact O-CB 3.33Å; P176-L302 WeakPolarHBondContact CD-O 3.45Å; P176-L302 HydrophobicContact CG-CD2 3.91Å; P213-L302 WeakPolarHBondContact CD-O 3.33Å; F297-L302 HydrophobicContact CE1-CD2 4.49Å; F297-L302 HydrophobicContact CZ-CD2 4.01Å
303	S	98.4	Very high	95.7	Very high	8 Å²	8	51.4 Å²	51.4	6%	0.056	26%	0.26	C	S	.	.	S	Bend	trans	-147.4	176.6	174.6	73.9	0	0	0	0	111	V211 Q305 D306	V211-S303 CarbonylContact O-C 3.48Å; V211-S303 VanDerWaalsContact O-CA 3.26Å; V211-S303 WeakPolarHBondContact O-CA 3.29Å; V211-S303 WeakPolarHBondContact O-CB 3.45Å; S303-Q305 PolarHBondContact O-N 2.95Å; S303-Q305 PolarHBondContact OG-N 3.31Å; S303-Q305 VanDerWaalsContact OG-N 3.12Å; S303-D306 WeakPolarHBondContact CB-OD2 3.08Å; S303-D306 PolarHBondContact N-OD2 3.23Å; S303-D306 PolarHBondContact O-N 3.27Å; S303-D306 PolarHBondContact OG-N 3.17Å; S303-D306 PolarHBondContact OG-OD2 3.35Å
304	N	98	Very high	95.5	Very high	43 Å²	43	58.3 Å²	58.3	23%	0.23	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-5.1	170.9	74.2	6.2	0	0	0	114.5	G210 V211 A405 F406 N407	G210-N304 WeakPolarHBondContact O-CB 3.18Å; G210-N304 PolarHBondContact O-ND2 3.41Å; V211-N304 PolarHBondContact O-N 3.33Å; N304-A405 WeakPolarHBondContact CB-O 3.25Å; N304-F406 HydrophobicContact CB-CD1 4.33Å; N304-F406 HydrophobicContact CB-CE1 4.42Å; N304-N407 PolarHBondContact O-ND2 3.43Å
305	Q	96.5	Very high	95.4	Very high	158 Å²	158	57.6 Å²	57.6	74%	0.738	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-18.5	172.1	-58.6	-54.3	-65.1	0	0	112.4	S303	S303-Q305 PolarHBondContact O-N 2.95Å; S303-Q305 PolarHBondContact OG-N 3.31Å; S303-Q305 VanDerWaalsContact OG-N 3.12Å
306	D	94.4	Very high	95.4	Very high	57 Å²	57	55.7 Å²	55.7	31%	0.305	29%	0.288	S	S	.	.	S	Bend	trans	-87.2	146.1	-179.6	-63.3	-73.3	0	0	0	111.4	P301 S303	P301-D306 HydrophobicContact CB-CB 4.16Å; S303-D306 WeakPolarHBondContact CB-OD2 3.08Å; S303-D306 PolarHBondContact N-OD2 3.23Å; S303-D306 PolarHBondContact O-N 3.27Å; S303-D306 PolarHBondContact OG-N 3.17Å; S303-D306 PolarHBondContact OG-OD2 3.35Å
307	P	90.6	Very high	95.3	Very high	102 Å²	102	57.5 Å²	57.5	66%	0.662	30%	0.301	S	S	*	.	P	Polyproline II helix	trans	-67.5	152	164.8	31.1	-34.4	0	0	0	110.3
308	A	91.5	Very high	95.2	Very high	15 Å²	15	62.2 Å²	62.2	12%	0.124	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-59.7	143.2	166.5	0	0	0	0	0	110.3	I310 I408	A308-I310 PolarHBondContact O-N 3.3Å; A308-I408 HydrophobicContact CB-CG1 4.44Å
309	P	91.8	Very high	95.3	Very high	31 Å²	31	62.8 Å²	62.8	20%	0.201	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-60.8	132.6	-177.6	25.6	-36.2	0	0	0	111.6	N298 L300	N298-P309 WeakPolarHBondContact O-CG 3.07Å; L300-P309 WeakPolarHBondContact O-CD 3.43Å
310	I	92.9	Very high	95.3	Very high	117 Å²	117	67 Å²	67	60%	0.6	35%	0.347	S	S	*	.	B	Isolated β-bridge	trans	-98	126.4	173.1	-54.8	179.7	0	0	0	108	A308 G371 R372	A308-I310 PolarHBondContact O-N 3.3Å; I310-G371 WeakPolarHBondContact CA-O 3.42Å; I310-R372 HydrophobicContact CD1-CG 4.41Å; I310-R372 HydrophobicContact CG1-CG 4.31Å; I310-R372 HydrophobicContact CG2-CG 4.5Å
311	R	92.1	Very high	95.2	Very high	122 Å²	122	67.4 Å²	67.4	46%	0.46	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-101	146.9	174	-171.1	-177.6	159.1	-148.5	-19.7	109.1	C313 E348 G371	R311-C313 PolarHBondContact O-N 3.12Å; R311-E348 IonicContact CZ-OE1 2.87Å; R311-E348 IonicContact CZ-OE2 3.19Å; R311-E348 IonicContact NH1-OE1 2.68Å; R311-E348 IonicContact NH1-OE2 2.76Å; R311-E348 PolarHBondContact NH1-OE2 2.69Å; R311-E348 IonicContact NH2-OE1 3.3Å; R311-E348 PolarHBondContact NH2-OE1 2.98Å; R311-E348 IonicContact NH2-OE2 2.73Å; R311-E348 PolarHBondContact NH2-OE2 3.44Å; R311-G371 PolarHBondContact N-O 3.04Å; R311-G371 WeakPolarHBondContact O-CA 3.4Å
312	E	93.1	Very high	95.2	Very high	152 Å²	152	75 Å²	75	71%	0.71	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-59.5	133.4	165.6	-175.5	172.6	-173.4	0	0	109.6	H314	E312-H314 IonicContact OE1-CE1 3.54Å; E312-H314 PolarHBondContact OE1-CE1 3.11Å; E312-H314 VanDerWaalsContact OE1-CE1 3.32Å
313	C	93.6	Very high	95.1	Very high	29 Å²	29	76.5 Å²	76.5	20%	0.196	40%	0.396	C	S	.	.			trans	-127.3	127.9	-175.3	-172.4	0	0	0	0	109.6	R311 D347	R311-C313 PolarHBondContact O-N 3.12Å; C313-D347 PolarHBondContact SG-OD2 3.46Å; C313-D347 VanDerWaalsContact SG-OD2 3.33Å
314	H	94.1	Very high	95	Very high	145 Å²	145	76.2 Å²	76.2	67%	0.671	39%	0.393	S	S	*	.			trans	-101.6	-0.8	175.8	-55.8	-52.7	0	0	0	112.7	E312 P316	E312-H314 IonicContact OE1-CE1 3.54Å; E312-H314 PolarHBondContact OE1-CE1 3.11Å; E312-H314 VanDerWaalsContact OE1-CE1 3.32Å; H314-P316 WeakPolarHBondContact O-CD 3.32Å
315	D	95.4	Very high	95	Very high	26 Å²	26	77.7 Å²	77.7	14%	0.139	40%	0.401	C	S	.	.	S	Bend	trans	-82.3	110.6	174.3	-173	1.1	0	0	0	109.7	S317 R319 E348 R534	D315-S317 PolarHBondContact O-N 2.86Å; D315-R319 VanDerWaalsContact OD1-CD 3.28Å; D315-R319 WeakPolarHBondContact OD1-CD 3.26Å; D315-R319 IonicContact OD1-CZ 2.62Å; D315-R319 IonicContact OD1-NE 3.22Å; D315-R319 PolarHBondContact OD1-NE 3.4Å; D315-R319 IonicContact OD1-NH2 3.34Å; D315-R319 IonicContact OD2-CZ 2.58Å; D315-R319 IonicContact OD2-NE 2.79Å; D315-R319 PolarHBondContact OD2-NE 3.27Å; D315-R319 IonicContact OD2-NH2 2.74Å; D315-R319 PolarHBondContact OD2-NH2 3.34Å; D315-E348 PolarHBondContact OD2-N 3.09Å; D315-R534 PolarHBondContact O-NH2 3.32Å; D315-R534 IonicContact OD1-CZ 3.85Å; D315-R534 IonicContact OD1-NE 3.06Å; D315-R534 IonicContact OD1-NH2 3.6Å; D315-R534 IonicContact OD2-CZ 2.77Å; D315-R534 IonicContact OD2-NH1 3.87Å; D315-R534 IonicContact OD2-NH2 2.77Å
316	P	96.7	Very high	94.9	Very high	71 Å²	71	75.9 Å²	75.9	46%	0.461	40%	0.401	S	S	.	.			trans	-56	131	-171.3	-24.9	34.4	0	0	0	112.5	H314 D318 R319 R534	H314-P316 WeakPolarHBondContact O-CD 3.32Å; P316-D318 WeakPolarHBondContact CB-OD1 3.15Å; P316-D318 PolarHBondContact O-N 3.45Å; P316-R319 HydrophobicContact CB-CB 4.34Å; P316-R319 WeakPolarHBondContact O-CG 3.42Å; P316-R319 PolarHBondContact O-N 3.43Å; P316-R534 PolarHBondContact O-NE 3.48Å; P316-R534 PolarHBondContact O-NH2 3.27Å
317	S	96.3	Very high	95	Very high	38 Å²	38	74.7 Å²	74.7	27%	0.266	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-25	-179.8	56	0	0	0	0	112.5	D315 R535	D315-S317 PolarHBondContact O-N 2.86Å; S317-R535 VanDerWaalsContact O-CA 3.28Å; S317-R535 WeakPolarHBondContact O-CA 3.39Å
318	D	96.5	Very high	95.2	Very high	100 Å²	100	70.3 Å²	70.3	54%	0.535	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-1.1	-175.4	71.4	-27.7	0	0	0	115.1	P316 L320 R535	P316-D318 WeakPolarHBondContact CB-OD1 3.15Å; P316-D318 PolarHBondContact O-N 3.45Å; D318-L320 PolarHBondContact O-N 2.97Å; D318-R535 HydrophobicContact CB-CG 4.16Å
319	R	97.3	Very high	95.3	Very high	62 Å²	62	71.2 Å²	71.2	23%	0.234	37%	0.371	C	S	.	.			trans	-58.5	138.9	-175.7	70.8	169.7	165.7	86.4	-2.1	112.4	D315 P316 A344 V346	D315-R319 VanDerWaalsContact OD1-CD 3.28Å; D315-R319 WeakPolarHBondContact OD1-CD 3.26Å; D315-R319 IonicContact OD1-CZ 2.62Å; D315-R319 IonicContact OD1-NE 3.22Å; D315-R319 PolarHBondContact OD1-NE 3.4Å; D315-R319 IonicContact OD1-NH2 3.34Å; D315-R319 IonicContact OD2-CZ 2.58Å; D315-R319 IonicContact OD2-NE 2.79Å; D315-R319 PolarHBondContact OD2-NE 3.27Å; D315-R319 IonicContact OD2-NH2 2.74Å; D315-R319 PolarHBondContact OD2-NH2 3.34Å; P316-R319 HydrophobicContact CB-CB 4.34Å; P316-R319 WeakPolarHBondContact O-CG 3.42Å; P316-R319 PolarHBondContact O-N 3.43Å; R319-A344 PolarHBondContact NH1-O 2.91Å; R319-A344 PolarHBondContact NH2-O 2.76Å; R319-V346 PolarHBondContact NH2-O 3.15Å
320	L	97.7	Very high	94.9	Very high	93 Å²	93	79.6 Å²	79.6	49%	0.487	40%	0.404	S	S	.	.			trans	-83.3	134.4	173.1	-60.5	-177.9	0	0	0	111	D318 A531 T532	D318-L320 PolarHBondContact O-N 2.97Å; L320-A531 WeakPolarHBondContact CA-O 3.47Å; L320-T532 HydrophobicContact CD2-CG2 3.99Å
321	V	97.4	Very high	94.6	Very high	9 Å²	9	78.8 Å²	78.8	6%	0.055	40%	0.398	C	S	.	.			trans	-109.3	66.8	-174.2	-161.8	0	0	0	0	110	S323 L324 A344 A531 R534	V321-S323 PolarHBondContact O-N 3.19Å; V321-L324 HydrophobicContact CB-CD1 3.79Å; V321-L324 HydrophobicContact CB-CG 3.99Å; V321-L324 HydrophobicContact CG1-CD1 3.95Å; V321-L324 HydrophobicContact CG1-CD2 4.47Å; V321-L324 HydrophobicContact CG1-CG 3.8Å; V321-L324 WeakPolarHBondContact O-CB 3.43Å; V321-L324 WeakPolarHBondContact O-CG 3.47Å; V321-L324 PolarHBondContact O-N 2.86Å; V321-A344 HydrophobicContact CG1-CB 3.79Å; V321-A344 WeakPolarHBondContact CG1-O 3.38Å; V321-A531 PolarHBondContact N-O 2.87Å; V321-A531 WeakPolarHBondContact O-CA 3.24Å; V321-R534 HydrophobicContact CG2-CB 4.08Å
322	K	96.7	Very high	94.1	Very high	160 Å²	160	75.6 Å²	75.6	70%	0.696	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-52.4	-24.3	-171.6	-64.4	-173	177.3	-174.9	0	115.7	L324 D325	K322-L324 PolarHBondContact O-N 2.96Å; K322-D325 PolarHBondContact O-N 3.25Å
323	S	96.1	Very high	93.7	Very high	69 Å²	69	74.4 Å²	74.4	48%	0.483	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-64.8	-21.3	175.3	52	0	0	0	0	113.6	V321 D325 T326 I327	V321-S323 PolarHBondContact O-N 3.19Å; S323-D325 VanDerWaalsContact C-N 3.31Å; S323-T326 PolarHBondContact O-OG1 3.46Å; S323-I327 PolarHBondContact O-N 3.41Å
324	L	97	Very high	93.7	Very high	2 Å²	2	77.9 Å²	77.9	1%	0.01	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-71.8	-24.4	178	-59.7	-178.3	0	0	0	112.8	V321 K322 T326 I327 I341 A344 I345 W477 P530	V321-L324 HydrophobicContact CB-CD1 3.79Å; V321-L324 HydrophobicContact CB-CG 3.99Å; V321-L324 HydrophobicContact CG1-CD1 3.95Å; V321-L324 HydrophobicContact CG1-CD2 4.47Å; V321-L324 HydrophobicContact CG1-CG 3.8Å; V321-L324 WeakPolarHBondContact O-CB 3.43Å; V321-L324 WeakPolarHBondContact O-CG 3.47Å; V321-L324 PolarHBondContact O-N 2.86Å; K322-L324 PolarHBondContact O-N 2.96Å; L324-T326 PolarHBondContact O-N 2.98Å; L324-T326 VanDerWaalsContact O-N 3.13Å; L324-I327 HydrophobicContact CB-CG2 4.5Å; L324-I327 HydrophobicContact CD2-CD1 4.17Å; L324-I327 HydrophobicContact CD2-CG2 4.26Å; L324-I327 VanDerWaalsContact O-CG2 3.3Å; L324-I327 WeakPolarHBondContact O-CG2 3.27Å; L324-I327 PolarHBondContact O-N 2.75Å; L324-I341 HydrophobicContact CD2-CB 4.33Å; L324-I341 HydrophobicContact CD2-CG1 4.18Å; L324-I341 HydrophobicContact CD2-CG2 4.17Å; L324-A344 HydrophobicContact CD2-CB 4.06Å; L324-I345 HydrophobicContact CD1-CG2 3.63Å; L324-W477 HydrophobicContact CB-CH2 3.98Å; L324-W477 HydrophobicContact CB-CZ2 4.33Å; L324-W477 HydrophobicContact CD1-CH2 4.38Å; L324-W477 HydrophobicContact CD1-CZ2 4.18Å; L324-W477 HydrophobicContact CD2-CH2 4.21Å; L324-W477 HydrophobicContact CG-CH2 4.41Å; L324-P530 HydrophobicContact CB-CB 3.7Å; L324-P530 WeakPolarHBondContact CD1-O 3.49Å; L324-P530 WeakPolarHBondContact O-CB 3.26Å
325	D	96.7	Very high	93.7	Very high	74 Å²	74	73.5 Å²	73.5	40%	0.396	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-67.7	-15.5	-178.4	-53.9	-35.6	0	0	0	112.4	K322 S323 A531	K322-D325 PolarHBondContact O-N 3.25Å; S323-D325 VanDerWaalsContact C-N 3.31Å; D325-A531 VanDerWaalsContact OD1-CB 3.26Å; D325-A531 WeakPolarHBondContact OD1-CB 3.28Å; D325-A531 PolarHBondContact OD1-N 2.78Å; D325-A531 WeakPolarHBondContact OD2-CB 3.46Å
326	T	95.5	Very high	93.8	Very high	120 Å²	120	72.8 Å²	72.8	74%	0.736	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-123.9	3.7	-179.3	59.3	0	0	0	0	114.1	S323 L324	S323-T326 PolarHBondContact O-OG1 3.46Å; L324-T326 PolarHBondContact O-N 2.98Å; L324-T326 VanDerWaalsContact O-N 3.13Å
327	I	96.2	Very high	93.9	Very high	31 Å²	31	70.7 Å²	70.7	16%	0.159	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-33.1	-171.9	-162.7	160.9	0	0	0	113.3	S323 L324 P329 Y336 D340 I341 W477	S323-I327 PolarHBondContact O-N 3.41Å; L324-I327 HydrophobicContact CB-CG2 4.5Å; L324-I327 HydrophobicContact CD2-CD1 4.17Å; L324-I327 HydrophobicContact CD2-CG2 4.26Å; L324-I327 VanDerWaalsContact O-CG2 3.3Å; L324-I327 WeakPolarHBondContact O-CG2 3.27Å; L324-I327 PolarHBondContact O-N 2.75Å; I327-P329 WeakPolarHBondContact O-CD 3.26Å; I327-Y336 WeakPolarHBondContact O-CB 3.26Å; I327-D340 HydrophobicContact CD1-CB 3.56Å; I327-D340 HydrophobicContact CG1-CB 4.47Å; I327-I341 HydrophobicContact CD1-CG1 3.61Å; I327-I341 HydrophobicContact CG1-CG1 4.23Å; I327-I341 HydrophobicContact CG2-CD1 4.01Å; I327-I341 HydrophobicContact CG2-CG1 3.88Å; I327-W477 HydrophobicContact CG2-CH2 4Å; I327-W477 HydrophobicContact CG2-CZ3 3.73Å
328	V	95.4	Very high	94	Very high	11 Å²	11	68.9 Å²	68.9	7%	0.067	37%	0.366	C	S	.	.	S	Bend	trans	-86.4	119	175.3	173.2	0	0	0	0	108.3	Y336 R454 W477 T479	V328-Y336 HydrophobicContact CB-CE1 4.45Å; V328-Y336 HydrophobicContact CG1-CE1 4.29Å; V328-Y336 HydrophobicContact CG2-CD1 4.34Å; V328-Y336 HydrophobicContact CG2-CE1 3.85Å; V328-Y336 HydrophobicContact CG2-CE2 4.3Å; V328-R454 HydrophobicContact CG1-CB 4.08Å; V328-R454 HydrophobicContact CG1-CG 4.24Å; V328-W477 HydrophobicContact CG2-CE3 3.93Å; V328-W477 HydrophobicContact CG2-CZ3 3.7Å; V328-T479 HydrophobicContact CG1-CG2 4.14Å
329	P	92.8	Very high	94.1	Very high	34 Å²	34	65.8 Å²	65.8	22%	0.221	35%	0.349	C	S	.	.			trans	-66.3	136.9	176.5	-20.2	33.3	0	0	0	111.2	I327 E331 K334	I327-P329 WeakPolarHBondContact O-CD 3.26Å; P329-E331 PolarHBondContact O-N 3.06Å; P329-K334 HydrophobicContact CB-CB 3.79Å; P329-K334 HydrophobicContact CG-CB 3.95Å
330	F	84.3	Confident	94.1	Very high	207 Å²	207	67 Å²	67	91%	0.908	36%	0.36	S	S	*	.	S	Bend	trans	-56	-32.8	171.2	-84.3	-87.4	0	0	0	112.9	S332	F330-S332 PolarHBondContact O-N 2.96Å
331	E	86.1	Confident	94.2	Very high	99 Å²	99	62.6 Å²	62.6	46%	0.463	34%	0.337	S	S	.	.	S	Bend	trans	-74.5	110.3	173.5	-71.9	166.4	-120.3	0	0	110.4	P329 T333 K334	P329-E331 PolarHBondContact O-N 3.06Å; E331-T333 PolarHBondContact O-N 2.59Å; E331-K334 HydrophobicContact CB-CB 4.33Å; E331-K334 HydrophobicContact CB-CD 4.07Å; E331-K334 HydrophobicContact CB-CG 4.11Å; E331-K334 PolarHBondContact O-N 3.06Å; E331-K334 IonicContact OE1-NZ 2.91Å; E331-K334 PolarHBondContact OE1-NZ 3.19Å; E331-K334 WeakPolarHBondContact OE2-CD 3.5Å; E331-K334 WeakPolarHBondContact OE2-CE 3.28Å; E331-K334 IonicContact OE2-NZ 2.74Å; E331-K334 PolarHBondContact OE2-NZ 3.31Å
332	S	80.6	Confident	94.2	Very high	56 Å²	56	62.2 Å²	62.2	39%	0.392	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.6	-179	65.6	0	0	0	0	114.1	F330 K455	F330-S332 PolarHBondContact O-N 2.96Å; S332-K455 WeakPolarHBondContact O-CE 3.43Å; S332-K455 PolarHBondContact O-NZ 2.97Å
333	T	85.8	Confident	94.3	Very high	126 Å²	126	57.8 Å²	57.8	77%	0.773	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-19.7	174.4	52.3	0	0	0	0	114	E331	E331-T333 PolarHBondContact O-N 2.59Å
334	K	93.1	Very high	94.4	Very high	103 Å²	103	55.2 Å²	55.2	45%	0.448	30%	0.299	S	S	.	.			trans	-82.9	135.3	179.3	-75.8	179.9	174	155.8	0	111.2	P329 E331 R454	P329-K334 HydrophobicContact CB-CB 3.79Å; P329-K334 HydrophobicContact CG-CB 3.95Å; E331-K334 HydrophobicContact CB-CB 4.33Å; E331-K334 HydrophobicContact CB-CD 4.07Å; E331-K334 HydrophobicContact CB-CG 4.11Å; E331-K334 PolarHBondContact O-N 3.06Å; E331-K334 IonicContact OE1-NZ 2.91Å; E331-K334 PolarHBondContact OE1-NZ 3.19Å; E331-K334 WeakPolarHBondContact OE2-CD 3.5Å; E331-K334 WeakPolarHBondContact OE2-CE 3.28Å; E331-K334 IonicContact OE2-NZ 2.74Å; E331-K334 PolarHBondContact OE2-NZ 3.31Å; K334-R454 PolarHBondContact O-NH1 3.39Å; K334-R454 PolarHBondContact O-NH2 3.34Å
335	A	95.3	Very high	94.4	Very high	52 Å²	52	55.1 Å²	55.1	43%	0.43	30%	0.298	S	S	.	.			trans	-88.3	155.8	173.5	0	0	0	0	0	111.5	P381 K382	A335-P381 HydrophobicContact CB-CB 4.16Å; A335-P381 WeakPolarHBondContact CB-O 3.42Å; A335-K382 HydrophobicContact CB-CG 4.26Å
336	Y	97.1	Very high	94.5	Very high	12 Å²	12	51.6 Å²	51.6	5%	0.047	28%	0.28	C	S	.	.			trans	-136.7	167.7	170.3	64.1	-86.1	0	0	0	108.4	I327 V328 M338 I341 Q380 P381 D415 T453	I327-Y336 WeakPolarHBondContact O-CB 3.26Å; V328-Y336 HydrophobicContact CB-CE1 4.45Å; V328-Y336 HydrophobicContact CG1-CE1 4.29Å; V328-Y336 HydrophobicContact CG2-CD1 4.34Å; V328-Y336 HydrophobicContact CG2-CE1 3.85Å; V328-Y336 HydrophobicContact CG2-CE2 4.3Å; Y336-M338 HydrophobicContact CE2-CE 4.09Å; Y336-M338 WeakPolarHBondContact OH-CE 3.44Å; Y336-I341 HydrophobicContact CD2-CD1 4.24Å; Y336-I341 HydrophobicContact CE2-CD1 3.55Å; Y336-I341 HydrophobicContact CE2-CG1 4.39Å; Y336-Q380 PolarHBondContact O-OE1 3.41Å; Y336-P381 HydrophobicContact CD1-CG 4.35Å; Y336-P381 HydrophobicContact CE1-CB 4.45Å; Y336-P381 HydrophobicContact CE1-CG 3.85Å; Y336-P381 HydrophobicContact CE2-CG 4.29Å; Y336-D415 WeakPolarHBondContact CE1-OD2 3.37Å; Y336-D415 VanDerWaalsContact OH-CB 3.29Å; Y336-D415 WeakPolarHBondContact OH-CB 3.36Å; Y336-D415 PolarHBondContact OH-OD2 3.29Å; Y336-D415 VanDerWaalsContact OH-OD2 3.04Å; Y336-T453 PolarHBondContact OH-OG1 3.15Å
337	D	98	Very high	94.6	Very high	26 Å²	26	46.1 Å²	46.1	14%	0.139	25%	0.246	C	C	.	.			trans	-85.1	127.6	177.5	-141.1	-52.7	0	0	0	111.7	L339 D340 Q380 K382	D337-L339 PolarHBondContact O-N 2.85Å; D337-L339 WeakPolarHBondContact OD1-CB 3.41Å; D337-L339 PolarHBondContact OD1-N 2.94Å; D337-D340 HydrophobicContact CB-CB 4.11Å; D337-D340 WeakPolarHBondContact CB-OD2 3.41Å; D337-D340 PolarHBondContact O-N 3.47Å; D337-Q380 PolarHBondContact OD1-NE2 2.91Å; D337-K382 HydrophobicContact CB-CD 4.13Å; D337-K382 VanDerWaalsContact CB-NZ 3.35Å; D337-K382 WeakPolarHBondContact OD2-CD 3.29Å; D337-K382 WeakPolarHBondContact OD2-CE 3.48Å; D337-K382 IonicContact OD2-NZ 2.7Å; D337-K382 PolarHBondContact OD2-NZ 2.83Å
338	M	98.5	Very high	94.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.4	-26.7	170.2	-169.4	58.5	71.3	0	0	112	Y336 D340 I341 I342 N379 F413 D415	Y336-M338 HydrophobicContact CE2-CE 4.09Å; Y336-M338 WeakPolarHBondContact OH-CE 3.44Å; M338-D340 VanDerWaalsContact C-N 3.28Å; M338-D340 PolarHBondContact O-N 3.18Å; M338-I341 PolarHBondContact O-N 3.01Å; M338-I341 HydrophobicContact SD-CB 4.28Å; M338-I341 HydrophobicContact SD-CD1 3.93Å; M338-I342 HydrophobicContact CG-CD1 4.08Å; M338-I342 WeakPolarHBondContact O-CG1 3.44Å; M338-I342 PolarHBondContact O-N 2.7Å; M338-N379 WeakPolarHBondContact CB-O 3.4Å; M338-N379 VanDerWaalsContact CE-O 3.25Å; M338-N379 WeakPolarHBondContact CE-O 3.24Å; M338-N379 VanDerWaalsContact CG-O 3.25Å; M338-N379 WeakPolarHBondContact CG-O 3.2Å; M338-F413 HydrophobicContact CE-CB 4.01Å; M338-F413 HydrophobicContact CG-CB 4.34Å; M338-F413 HydrophobicContact SD-CB 3.52Å; M338-F413 VanDerWaalsContact SD-CB 3.52Å; M338-F413 HydrophobicContact SD-CG 4.09Å; M338-D415 HydrophobicContact CE-CB 4.26Å
339	L	98.4	Very high	94.7	Very high	36 Å²	36	57.1 Å²	57.1	19%	0.188	29%	0.288	C	S	.	.	H	α-helix	trans	-64.8	-33	175.8	-67.4	169.8	0	0	0	111.9	D337 I341 I342 H343 F351 V363	D337-L339 PolarHBondContact O-N 2.85Å; D337-L339 WeakPolarHBondContact OD1-CB 3.41Å; D337-L339 PolarHBondContact OD1-N 2.94Å; L339-I341 VanDerWaalsContact C-N 3.28Å; L339-I341 PolarHBondContact O-N 2.94Å; L339-I342 HydrophobicContact CD2-CD1 4.46Å; L339-I342 PolarHBondContact O-N 3.23Å; L339-H343 WeakPolarHBondContact O-CB 3.42Å; L339-H343 PolarHBondContact O-CD2 3.38Å; L339-H343 PolarHBondContact O-N 3.13Å; L339-F351 HydrophobicContact CD2-CD1 3.97Å; L339-F351 HydrophobicContact CD2-CE1 3.68Å; L339-V363 HydrophobicContact CD2-CG1 3.74Å; L339-V363 HydrophobicContact CD2-CG2 4.16Å; L339-V363 HydrophobicContact CG-CG2 4.27Å
340	D	98.2	Very high	94.9	Very high	88 Å²	88	58.2 Å²	58.2	47%	0.471	29%	0.292	S	S	.	.	H	α-helix	trans	-62.9	-35.6	176.3	-68.2	-29.5	0	0	0	111.3	I327 D337 M338 A344	I327-D340 HydrophobicContact CD1-CB 3.56Å; I327-D340 HydrophobicContact CG1-CB 4.47Å; D337-D340 HydrophobicContact CB-CB 4.11Å; D337-D340 WeakPolarHBondContact CB-OD2 3.41Å; D337-D340 PolarHBondContact O-N 3.47Å; M338-D340 VanDerWaalsContact C-N 3.28Å; M338-D340 PolarHBondContact O-N 3.18Å; D340-A344 WeakPolarHBondContact O-CB 3.38Å; D340-A344 PolarHBondContact O-N 3.07Å
341	I	98.4	Very high	95.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-69.3	-49.9	172.6	-62.5	179.8	0	0	0	110.2	L324 I327 Y336 M338 L339 A344 I345 F413 T453 W477	L324-I341 HydrophobicContact CD2-CB 4.33Å; L324-I341 HydrophobicContact CD2-CG1 4.18Å; L324-I341 HydrophobicContact CD2-CG2 4.17Å; I327-I341 HydrophobicContact CD1-CG1 3.61Å; I327-I341 HydrophobicContact CG1-CG1 4.23Å; I327-I341 HydrophobicContact CG2-CD1 4.01Å; I327-I341 HydrophobicContact CG2-CG1 3.88Å; Y336-I341 HydrophobicContact CD2-CD1 4.24Å; Y336-I341 HydrophobicContact CE2-CD1 3.55Å; Y336-I341 HydrophobicContact CE2-CG1 4.39Å; M338-I341 PolarHBondContact O-N 3.01Å; M338-I341 HydrophobicContact SD-CB 4.28Å; M338-I341 HydrophobicContact SD-CD1 3.93Å; L339-I341 VanDerWaalsContact C-N 3.28Å; L339-I341 PolarHBondContact O-N 2.94Å; I341-A344 PolarHBondContact O-N 3.16Å; I341-I345 PolarHBondContact O-N 2.8Å; I341-F413 HydrophobicContact CG2-CD1 4.36Å; I341-F413 HydrophobicContact CG2-CE1 4.34Å; I341-T453 HydrophobicContact CD1-CG2 3.9Å; I341-W477 HydrophobicContact CD1-CH2 3.66Å; I341-W477 HydrophobicContact CD1-CZ3 3.89Å; I341-W477 HydrophobicContact CG1-CH2 4.15Å; I341-W477 HydrophobicContact CG2-CH2 4.14Å; I341-W477 HydrophobicContact CG2-CZ2 4.41Å
342	I	98.6	Very high	96.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.6	-56	-176.8	-68.1	166.5	0	0	0	110.7	M338 L339 A344 I345 V346 F351 V363 I376 F413	M338-I342 HydrophobicContact CG-CD1 4.08Å; M338-I342 WeakPolarHBondContact O-CG1 3.44Å; M338-I342 PolarHBondContact O-N 2.7Å; L339-I342 HydrophobicContact CD2-CD1 4.46Å; L339-I342 PolarHBondContact O-N 3.23Å; I342-A344 PolarHBondContact O-N 2.85Å; I342-I345 WeakPolarHBondContact O-CG1 3.36Å; I342-I345 PolarHBondContact O-N 3.42Å; I342-I345 VanDerWaalsContact O-N 3.14Å; I342-V346 HydrophobicContact CG2-CG1 4.2Å; I342-V346 WeakPolarHBondContact O-CG1 3.4Å; I342-V346 WeakPolarHBondContact O-CG2 3.43Å; I342-V346 PolarHBondContact O-N 2.78Å; I342-V346 VanDerWaalsContact O-N 3.11Å; I342-F351 HydrophobicContact CG2-CB 4.31Å; I342-F351 HydrophobicContact CG2-CD1 4.07Å; I342-F351 HydrophobicContact CG2-CD2 3.87Å; I342-F351 HydrophobicContact CG2-CE1 4.36Å; I342-F351 HydrophobicContact CG2-CE2 4.17Å; I342-F351 HydrophobicContact CG2-CG 3.82Å; I342-F351 HydrophobicContact CG2-CZ 4.41Å; I342-V363 HydrophobicContact CD1-CB 4.47Å; I342-V363 HydrophobicContact CD1-CG1 3.88Å; I342-I376 HydrophobicContact CD1-CG2 3.79Å; I342-I376 HydrophobicContact CG1-CG2 4.01Å; I342-I376 HydrophobicContact CG2-CD1 3.79Å; I342-F413 HydrophobicContact CG1-CD2 4.22Å; I342-F413 HydrophobicContact CG1-CE2 4.41Å
343	H	98.5	Very high	97	Very high	68 Å²	68	44.2 Å²	44.2	32%	0.315	22%	0.223	S	C	.	.	H	α-helix	trans	-60.7	-28.7	178.4	-73.2	-65.7	0	0	0	112.9	L339 R349	L339-H343 WeakPolarHBondContact O-CB 3.42Å; L339-H343 PolarHBondContact O-CD2 3.38Å; L339-H343 PolarHBondContact O-N 3.13Å; H343-R349 HydrophobicContact CB-CB 4.36Å; H343-R349 PolarHBondContact ND1-O 3.19Å; H343-R349 WeakPolarHBondContact O-CA 3.26Å; H343-R349 WeakPolarHBondContact O-CB 3.15Å; H343-R349 VanDerWaalsContact O-CG 3.23Å; H343-R349 WeakPolarHBondContact O-CG 3.43Å
344	A	97.8	Very high	97.6	Very high	14 Å²	14	38.3 Å²	38.3	12%	0.116	19%	0.187	C	C	.	.	H	α-helix	trans	-74.5	-28.2	178.6	0	0	0	0	0	113.3	R319 V321 L324 D340 I341 I342	R319-A344 PolarHBondContact NH1-O 2.91Å; R319-A344 PolarHBondContact NH2-O 2.76Å; V321-A344 HydrophobicContact CG1-CB 3.79Å; V321-A344 WeakPolarHBondContact CG1-O 3.38Å; L324-A344 HydrophobicContact CD2-CB 4.06Å; D340-A344 WeakPolarHBondContact O-CB 3.38Å; D340-A344 PolarHBondContact O-N 3.07Å; I341-A344 PolarHBondContact O-N 3.16Å; I342-A344 PolarHBondContact O-N 2.85Å
345	I	97.6	Very high	97.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-98.4	-27.5	-177.4	64.8	172.7	0	0	0	115	L324 I341 I342 F413 T533 R534 I537	L324-I345 HydrophobicContact CD1-CG2 3.63Å; I341-I345 PolarHBondContact O-N 2.8Å; I342-I345 WeakPolarHBondContact O-CG1 3.36Å; I342-I345 PolarHBondContact O-N 3.42Å; I342-I345 VanDerWaalsContact O-N 3.14Å; I345-F413 HydrophobicContact CD1-CE1 3.98Å; I345-F413 HydrophobicContact CD1-CE2 3.8Å; I345-F413 HydrophobicContact CD1-CZ 3.17Å; I345-T533 HydrophobicContact CG2-CG2 4.46Å; I345-R534 HydrophobicContact CB-CB 4.29Å; I345-R534 HydrophobicContact CG2-CB 4.49Å; I345-R534 VanDerWaalsContact O-CD 3.29Å; I345-R534 WeakPolarHBondContact O-CD 3.43Å; I345-R534 WeakPolarHBondContact O-CG 3.39Å; I345-R534 PolarHBondContact O-NH1 3.48Å; I345-I537 HydrophobicContact CD1-CD1 4.19Å
346	V	98.4	Very high	98	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-75.7	156.7	-175.9	-60	0	0	0	0	112.1	R319 I342 E348 R349 D350 A367 M369 I376	R319-V346 PolarHBondContact NH2-O 3.15Å; I342-V346 HydrophobicContact CG2-CG1 4.2Å; I342-V346 WeakPolarHBondContact O-CG1 3.4Å; I342-V346 WeakPolarHBondContact O-CG2 3.43Å; I342-V346 PolarHBondContact O-N 2.78Å; I342-V346 VanDerWaalsContact O-N 3.11Å; V346-E348 PolarHBondContact O-N 3.13Å; V346-R349 PolarHBondContact O-N 3.29Å; V346-D350 WeakPolarHBondContact CG2-O 3.38Å; V346-A367 HydrophobicContact CB-CB 3.85Å; V346-A367 HydrophobicContact CG1-CB 3.42Å; V346-A367 VanDerWaalsContact CG1-CB 3.42Å; V346-A367 HydrophobicContact CG2-CB 4.46Å; V346-M369 HydrophobicContact CB-SD 4.46Å; V346-M369 HydrophobicContact CG1-SD 4.26Å; V346-I376 HydrophobicContact CG1-CD1 3.57Å
347	D	98.1	Very high	98.1	Very high	6 Å²	6	36.4 Å²	36.4	3%	0.032	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-56.7	131.8	177.5	-65.2	-9.7	0	0	0	110.8	C313 R349 D350 R368 M369 N370 G371 R534	C313-D347 PolarHBondContact SG-OD2 3.46Å; C313-D347 VanDerWaalsContact SG-OD2 3.33Å; D347-R349 PolarHBondContact O-N 2.88Å; D347-D350 PolarHBondContact O-N 2.79Å; D347-R368 HydrophobicContact CB-CB 4.09Å; D347-R368 WeakPolarHBondContact CB-O 3.36Å; D347-R368 VanDerWaalsContact CG-C 3.46Å; D347-R368 PolarHBondContact N-O 2.75Å; D347-R368 WeakPolarHBondContact OD2-CB 3.29Å; D347-M369 WeakPolarHBondContact OD1-CA 3.44Å; D347-M369 PolarHBondContact OD2-N 2.71Å; D347-N370 PolarHBondContact OD1-N 3.43Å; D347-N370 PolarHBondContact OD2-N 2.93Å; D347-G371 PolarHBondContact OD2-N 3.1Å; D347-R534 IonicContact OD1-CZ 2.79Å; D347-R534 VanDerWaalsContact OD1-CZ 3.22Å; D347-R534 IonicContact OD1-NH1 2.69Å; D347-R534 PolarHBondContact OD1-NH1 2.9Å; D347-R534 IonicContact OD1-NH2 2.84Å; D347-R534 PolarHBondContact OD1-NH2 3.29Å
348	E	95.7	Very high	98.1	Very high	93 Å²	93	36 Å²	36	44%	0.435	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	58.5	7.8	175.6	-59	175.5	179.6	0	0	114.3	R311 D315 V346 D350	R311-E348 IonicContact CZ-OE1 2.87Å; R311-E348 IonicContact CZ-OE2 3.19Å; R311-E348 IonicContact NH1-OE1 2.68Å; R311-E348 IonicContact NH1-OE2 2.76Å; R311-E348 PolarHBondContact NH1-OE2 2.69Å; R311-E348 IonicContact NH2-OE1 3.3Å; R311-E348 PolarHBondContact NH2-OE1 2.98Å; R311-E348 IonicContact NH2-OE2 2.73Å; R311-E348 PolarHBondContact NH2-OE2 3.44Å; D315-E348 PolarHBondContact OD2-N 3.09Å; V346-E348 PolarHBondContact O-N 3.13Å; E348-D350 PolarHBondContact O-N 2.83Å
349	R	96.6	Very high	98.1	Very high	180 Å²	180	36.7 Å²	36.7	68%	0.679	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	62.5	13.6	-166.1	-42.2	-166.5	178.2	179.2	-1.7	114.8	H343 V346 D347 F351	H343-R349 HydrophobicContact CB-CB 4.36Å; H343-R349 PolarHBondContact ND1-O 3.19Å; H343-R349 WeakPolarHBondContact O-CA 3.26Å; H343-R349 WeakPolarHBondContact O-CB 3.15Å; H343-R349 VanDerWaalsContact O-CG 3.23Å; H343-R349 WeakPolarHBondContact O-CG 3.43Å; V346-R349 PolarHBondContact O-N 3.29Å; D347-R349 PolarHBondContact O-N 2.88Å; R349-F351 PolarHBondContact O-N 3.37Å
350	D	97.2	Very high	98.1	Very high	57 Å²	57	39.5 Å²	39.5	31%	0.305	19%	0.189	S	C	.	.			trans	-72.4	116.1	-179	178.8	24	0	0	0	111.3	F299 V346 D347 E348 R368	F299-D350 WeakPolarHBondContact CZ-OD2 3.3Å; V346-D350 WeakPolarHBondContact CG2-O 3.38Å; D347-D350 PolarHBondContact O-N 2.79Å; E348-D350 PolarHBondContact O-N 2.83Å; D350-R368 IonicContact OD2-NH1 3.94Å; D350-R368 PolarHBondContact OD2-NH1 3.14Å
351	F	98.5	Very high	98.1	Very high	22 Å²	22	35.7 Å²	35.7	10%	0.096	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	113.2	177.1	180	-121	0	0	0	110.8	L339 I342 R349 E353 V363 G365 F366 A367 I376	L339-F351 HydrophobicContact CD2-CD1 3.97Å; L339-F351 HydrophobicContact CD2-CE1 3.68Å; I342-F351 HydrophobicContact CG2-CB 4.31Å; I342-F351 HydrophobicContact CG2-CD1 4.07Å; I342-F351 HydrophobicContact CG2-CD2 3.87Å; I342-F351 HydrophobicContact CG2-CE1 4.36Å; I342-F351 HydrophobicContact CG2-CE2 4.17Å; I342-F351 HydrophobicContact CG2-CG 3.82Å; I342-F351 HydrophobicContact CG2-CZ 4.41Å; R349-F351 PolarHBondContact O-N 3.37Å; F351-E353 HydrophobicContact CD1-CB 4.1Å; F351-E353 HydrophobicContact CE1-CB 3.65Å; F351-E353 HydrophobicContact CE1-CG 3.86Å; F351-E353 HydrophobicContact CZ-CB 4.33Å; F351-E353 HydrophobicContact CZ-CG 4.37Å; F351-E353 PolarHBondContact O-N 3.44Å; F351-V363 HydrophobicContact CE1-CG1 3.68Å; F351-V363 HydrophobicContact CZ-CG1 3.68Å; F351-G365 VanDerWaalsContact CE2-C 3.43Å; F351-F366 WeakPolarHBondContact CD2-O 3.4Å; F351-A367 HydrophobicContact CD2-CB 4.14Å; F351-I376 HydrophobicContact CD2-CD1 4.32Å; F351-I376 HydrophobicContact CE2-CB 4.04Å; F351-I376 HydrophobicContact CE2-CD1 4.25Å; F351-I376 HydrophobicContact CE2-CG1 4.5Å
352	F	98.5	Very high	98.1	Very high	8 Å²	8	35.7 Å²	35.7	4%	0.035	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	91.1	173.9	-163.1	-78.2	0	0	0	109.6	F237 R281 F283 F296 F299 I354 G365 F366	F237-F352 HydrophobicContact CE1-CE1 4.45Å; F237-F352 HydrophobicContact CZ-CE1 4.2Å; F237-F352 HydrophobicContact CZ-CZ 4.47Å; R281-F352 VanDerWaalsContact NH1-CE2 3.28Å; R281-F352 VanDerWaalsContact NH1-CZ 3.34Å; F283-F352 HydrophobicContact CZ-CZ 4.43Å; F296-F352 HydrophobicContact CB-CD2 4.45Å; F296-F352 HydrophobicContact CB-CE1 4.25Å; F296-F352 HydrophobicContact CB-CE2 3.91Å; F296-F352 HydrophobicContact CB-CZ 3.79Å; F296-F352 AromaticContact CD2-CD1 3.61Å; F296-F352 HydrophobicContact CD2-CD1 3.61Å; F296-F352 AromaticContact CD2-CE1 3.49Å; F296-F352 HydrophobicContact CD2-CE1 3.49Å; F296-F352 VanDerWaalsContact CD2-CE1 3.49Å; F296-F352 HydrophobicContact CD2-CE2 4.45Å; F296-F352 HydrophobicContact CD2-CG 4.17Å; F296-F352 AromaticContact CD2-CZ 3.94Å; F296-F352 HydrophobicContact CD2-CZ 3.94Å; F296-F352 HydrophobicContact CE2-CD1 4.19Å; F296-F352 HydrophobicContact CE2-CE1 4.15Å; F296-F352 HydrophobicContact CG-CE1 4.1Å; F296-F352 HydrophobicContact CG-CZ 4.11Å; F299-F352 HydrophobicContact CE2-CB 3.92Å; F299-F352 HydrophobicContact CZ-CB 4.25Å; F352-I354 HydrophobicContact CD1-CD1 3.86Å; F352-I354 HydrophobicContact CD1-CG1 4.48Å; F352-I354 HydrophobicContact CE1-CD1 3.79Å; F352-G365 CarbonylContact O-C 3.59Å; F352-G365 WeakPolarHBondContact O-CA 3.37Å; F352-F366 PolarHBondContact N-O 3.03Å; F352-F366 PolarHBondContact O-N 3.34Å
353	E	98.6	Very high	98.1	Very high	37 Å²	37	35.9 Å²	35.9	17%	0.173	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	137	178	-165.9	177	-178.7	0	0	112.1	F351 P356 V363	F351-E353 HydrophobicContact CD1-CB 4.1Å; F351-E353 HydrophobicContact CE1-CB 3.65Å; F351-E353 HydrophobicContact CE1-CG 3.86Å; F351-E353 HydrophobicContact CZ-CB 4.33Å; F351-E353 HydrophobicContact CZ-CG 4.37Å; F351-E353 PolarHBondContact O-N 3.44Å; E353-P356 HydrophobicContact CB-CB 4.45Å; E353-P356 HydrophobicContact CG-CB 4.04Å; E353-P356 WeakPolarHBondContact OE2-CB 3.39Å; E353-V363 HydrophobicContact CG-CG1 4.38Å
354	I	98.6	Very high	98.1	Very high	3 Å²	3	32.7 Å²	32.7	2%	0.015	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.3	176.8	-65.8	-64.5	0	0	0	109.2	F235 F237 H280 F296 F352 V364 F366 K395 F399	F235-I354 HydrophobicContact CD1-CD1 4.06Å; F235-I354 HydrophobicContact CE1-CD1 3.98Å; F235-I354 HydrophobicContact CE1-CG1 4.2Å; F235-I354 HydrophobicContact CE1-CG2 4.15Å; F237-I354 HydrophobicContact CE1-CD1 4.31Å; F237-I354 HydrophobicContact CZ-CD1 4.33Å; H280-I354 HydrophobicContact CB-CG2 4.34Å; F296-I354 HydrophobicContact CE2-CD1 3.94Å; F352-I354 HydrophobicContact CD1-CD1 3.86Å; F352-I354 HydrophobicContact CD1-CG1 4.48Å; F352-I354 HydrophobicContact CE1-CD1 3.79Å; I354-V364 HydrophobicContact CB-CG2 4.06Å; I354-V364 HydrophobicContact CG2-CG2 4.15Å; I354-V364 PolarHBondContact N-O 3.04Å; I354-V364 WeakPolarHBondContact O-CG2 3.2Å; I354-F366 HydrophobicContact CG1-CD2 4.24Å; I354-F366 HydrophobicContact CG1-CE2 4.17Å; I354-K395 WeakPolarHBondContact O-CE 3.4Å; I354-F399 HydrophobicContact CG1-CE2 4.37Å
355	M	98.6	Very high	98.2	Very high	14 Å²	14	32 Å²	32	7%	0.069	15%	0.15	C	C	.	.	S	Bend	trans	54.3	49	-173.9	-59.1	174.9	100.1	0	0	113.7	G277 H280 N357 Y358 K395	G277-M355 WeakPolarHBondContact O-CE 3.48Å; H280-M355 HydrophobicContact CB-CG 4.32Å; H280-M355 WeakPolarHBondContact O-CA 3.26Å; H280-M355 PolarHBondContact O-N 3.03Å; M355-N357 PolarHBondContact O-N 3.35Å; M355-Y358 HydrophobicContact CE-CD1 3.4Å; M355-Y358 VanDerWaalsContact CE-CD1 3.4Å; M355-Y358 HydrophobicContact CE-CE1 3.9Å; M355-Y358 HydrophobicContact CE-CG 4.03Å; M355-Y358 PolarHBondContact O-N 3.38Å; M355-Y358 HydrophobicContact SD-CD1 4.25Å; M355-K395 HydrophobicContact CB-CD 4.02Å; M355-K395 PolarHBondContact O-NZ 2.97Å; M355-K395 HydrophobicContact SD-CB 4.38Å; M355-K395 HydrophobicContact SD-CD 4.37Å; M355-K395 HydrophobicContact SD-CG 3.97Å
356	P	98.2	Very high	98.2	Very high	36 Å²	36	32 Å²	32	23%	0.234	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-20.6	-179.3	27	-37	0	0	0	113.3	E353 K360	E353-P356 HydrophobicContact CB-CB 4.45Å; E353-P356 HydrophobicContact CG-CB 4.04Å; E353-P356 WeakPolarHBondContact OE2-CB 3.39Å; P356-K360 VanDerWaalsContact O-CE 3.29Å; P356-K360 WeakPolarHBondContact O-CE 3.2Å
357	N	98.3	Very high	98.2	Very high	76 Å²	76	32 Å²	32	41%	0.406	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-5.7	-177	-81.3	-49.2	0	0	0	115.7	T273 T274 M355 K360	T273-N357 CarbonylContact O-C 3.52Å; T273-N357 VanDerWaalsContact O-CB 3.24Å; T273-N357 WeakPolarHBondContact O-CB 3.5Å; T274-N357 HydrophobicContact CG2-CB 3.92Å; M355-N357 PolarHBondContact O-N 3.35Å; N357-K360 VanDerWaalsContact CA-CE 3.45Å; N357-K360 WeakPolarHBondContact OD1-CE 3.45Å; N357-K360 PolarHBondContact OD1-NZ 2.8Å
358	Y	98.6	Very high	98.3	Very high	19 Å²	19	32.5 Å²	32.5	8%	0.075	15%	0.151	C	C	.	.	S	Bend	trans	-123	138.9	-179.1	175	-95.5	0	0	0	111	T273 V275 M355 K360 N391 K395	T273-Y358 WeakPolarHBondContact O-CB 3.4Å; T273-Y358 PolarHBondContact O-N 3.05Å; V275-Y358 WeakPolarHBondContact O-CE2 3.42Å; M355-Y358 HydrophobicContact CE-CD1 3.4Å; M355-Y358 VanDerWaalsContact CE-CD1 3.4Å; M355-Y358 HydrophobicContact CE-CE1 3.9Å; M355-Y358 HydrophobicContact CE-CG 4.03Å; M355-Y358 PolarHBondContact O-N 3.38Å; M355-Y358 HydrophobicContact SD-CD1 4.25Å; Y358-K360 PolarHBondContact O-N 2.91Å; Y358-N391 HydrophobicContact CE1-CB 4.08Å; Y358-N391 HydrophobicContact CE2-CB 4.34Å; Y358-N391 WeakPolarHBondContact OH-CB 3.49Å; Y358-N391 VanDerWaalsContact OH-CG 3.23Å; Y358-N391 PolarHBondContact OH-OD1 2.68Å; Y358-N391 VanDerWaalsContact OH-OD1 3.13Å; Y358-K395 WeakPolarHBondContact O-CD 3.13Å; Y358-K395 PolarHBondContact O-NZ 2.87Å
359	A	98.2	Very high	98.4	Very high	13 Å²	13	28.1 Å²	28.1	11%	0.107	13%	0.131	C	C	.	.	S	Bend	trans	46.3	56	-175.8	0	0	0	0	0	112.7	N361 I362 N391 K395	A359-N361 WeakPolarHBondContact CA-OD1 3.25Å; A359-N361 PolarHBondContact O-N 2.87Å; A359-N361 PolarHBondContact O-OD1 3.35Å; A359-I362 PolarHBondContact O-N 3.03Å; A359-I362 VanDerWaalsContact O-O 3.04Å; A359-N391 HydrophobicContact CB-CB 3.9Å; A359-K395 HydrophobicContact CB-CB 4.42Å; A359-K395 HydrophobicContact CB-CD 3.95Å
360	K	98.5	Very high	98.4	Very high	95 Å²	95	22 Å²	22	41%	0.413	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-8.8	-171.9	-62.8	-175	170.6	-170.2	0	114.8	P356 N357 Y358 I362 Q380 V383	P356-K360 VanDerWaalsContact O-CE 3.29Å; P356-K360 WeakPolarHBondContact O-CE 3.2Å; N357-K360 VanDerWaalsContact CA-CE 3.45Å; N357-K360 WeakPolarHBondContact OD1-CE 3.45Å; N357-K360 PolarHBondContact OD1-NZ 2.8Å; Y358-K360 PolarHBondContact O-N 2.91Å; K360-I362 VanDerWaalsContact C-N 3.27Å; K360-Q380 WeakPolarHBondContact O-CB 3.26Å; K360-Q380 VanDerWaalsContact O-CG 3.24Å; K360-Q380 WeakPolarHBondContact O-CG 3.46Å; K360-V383 HydrophobicContact CB-CB 4.31Å; K360-V383 HydrophobicContact CB-CG1 3.96Å; K360-V383 HydrophobicContact CB-CG2 3.94Å
361	N	98.4	Very high	98.3	Very high	8 Å²	8	19.3 Å²	19.3	4%	0.043	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-13.2	170.8	48	-39.1	0	0	0	113.8	A359 Q380 V383 A384 C387 D389	A359-N361 WeakPolarHBondContact CA-OD1 3.25Å; A359-N361 PolarHBondContact O-N 2.87Å; A359-N361 PolarHBondContact O-OD1 3.35Å; N361-Q380 PolarHBondContact O-N 3.46Å; N361-V383 HydrophobicContact CB-CB 4.4Å; N361-V383 HydrophobicContact CB-CG1 4.14Å; N361-V383 WeakPolarHBondContact CB-O 3.47Å; N361-A384 HydrophobicContact CB-CB 4.24Å; N361-C387 PolarHBondContact ND2-O 3.16Å; N361-D389 PolarHBondContact ND2-OD2 3.23Å
362	I	98.8	Very high	98.3	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	131.3	166.4	-157.7	172.5	0	0	0	110.2	A359 K360 V377 G378 L388 K395 L437	A359-I362 PolarHBondContact O-N 3.03Å; A359-I362 VanDerWaalsContact O-O 3.04Å; K360-I362 VanDerWaalsContact C-N 3.27Å; I362-V377 HydrophobicContact CD1-CG1 3.69Å; I362-V377 HydrophobicContact CG1-CG1 4.09Å; I362-G378 CarbonylContact C-O 3.58Å; I362-G378 WeakPolarHBondContact CA-O 3.17Å; I362-G378 WeakPolarHBondContact CG1-O 3.24Å; I362-L388 HydrophobicContact CD1-CD2 4.15Å; I362-K395 HydrophobicContact CG2-CB 4.4Å; I362-K395 HydrophobicContact CG2-CD 3.81Å; I362-K395 HydrophobicContact CG2-CG 4.17Å; I362-K395 VanDerWaalsContact O-CE 3.24Å; I362-K395 WeakPolarHBondContact O-CE 3.14Å; I362-K395 PolarHBondContact O-NZ 2.87Å; I362-L437 HydrophobicContact CD1-CD2 4.39Å
363	V	98.8	Very high	98.3	Very high	3 Å²	3	21.9 Å²	21.9	2%	0.018	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.9	171.2	173.5	0	0	0	0	107.9	L339 I342 F351 E353 V377 G378 Q380	L339-V363 HydrophobicContact CD2-CG1 3.74Å; L339-V363 HydrophobicContact CD2-CG2 4.16Å; L339-V363 HydrophobicContact CG-CG2 4.27Å; I342-V363 HydrophobicContact CD1-CB 4.47Å; I342-V363 HydrophobicContact CD1-CG1 3.88Å; F351-V363 HydrophobicContact CE1-CG1 3.68Å; F351-V363 HydrophobicContact CZ-CG1 3.68Å; E353-V363 HydrophobicContact CG-CG1 4.38Å; V363-V377 CarbonylContact O-C 3.49Å; V363-V377 WeakPolarHBondContact O-CA 3.25Å; V363-G378 PolarHBondContact N-O 3.22Å; V363-G378 PolarHBondContact O-N 2.91Å; V363-Q380 HydrophobicContact CG2-CB 4.3Å
364	V	98.9	Very high	98.3	Very high	1 Å²	1	20.1 Å²	20.1	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	148.1	168	-53.7	0	0	0	0	109.8	I354 I376 V377 K395 F399	I354-V364 HydrophobicContact CB-CG2 4.06Å; I354-V364 HydrophobicContact CG2-CG2 4.15Å; I354-V364 PolarHBondContact N-O 3.04Å; I354-V364 WeakPolarHBondContact O-CG2 3.2Å; V364-I376 VanDerWaalsContact CA-O 3.26Å; V364-I376 WeakPolarHBondContact CA-O 2.94Å; V364-V377 HydrophobicContact CG1-CB 4.49Å; V364-V377 HydrophobicContact CG1-CG1 4.17Å; V364-V377 HydrophobicContact CG1-CG2 4.15Å; V364-K395 HydrophobicContact CG1-CG 4.42Å; V364-K395 HydrophobicContact CG2-CD 4.43Å; V364-K395 HydrophobicContact CG2-CG 3.99Å; V364-F399 HydrophobicContact CB-CB 4.16Å; V364-F399 HydrophobicContact CB-CD1 3.81Å; V364-F399 HydrophobicContact CB-CD2 4.1Å; V364-F399 HydrophobicContact CB-CE1 4.25Å; V364-F399 HydrophobicContact CB-CG 3.73Å; V364-F399 HydrophobicContact CG1-CB 4.33Å; V364-F399 HydrophobicContact CG1-CD1 4.24Å; V364-F399 HydrophobicContact CG1-CG 4.31Å; V364-F399 HydrophobicContact CG2-CB 4.07Å; V364-F399 HydrophobicContact CG2-CD1 4.49Å; V364-F399 HydrophobicContact CG2-CD2 3.96Å; V364-F399 HydrophobicContact CG2-CG 3.9Å
365	G	98.8	Very high	98.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	177	179.8	0	0	0	0	0	113.7	F351 F352 I376 F399	F351-G365 VanDerWaalsContact CE2-C 3.43Å; F352-G365 CarbonylContact O-C 3.59Å; F352-G365 WeakPolarHBondContact O-CA 3.37Å; G365-I376 PolarHBondContact N-O 3.09Å; G365-I376 VanDerWaalsContact N-O 3.16Å; G365-I376 PolarHBondContact O-N 2.83Å; G365-F399 WeakPolarHBondContact O-CZ 3.36Å
366	F	98.8	Very high	98.3	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	142.6	-178.6	-61.1	-78.1	0	0	0	111.7	F235 F296 F299 L300 F351 F352 I354 T373 V374 F399 F402 I408	F235-F366 HydrophobicContact CE1-CE2 4.18Å; F235-F366 HydrophobicContact CE2-CE2 4.48Å; F235-F366 AromaticContact CZ-CE2 3.72Å; F235-F366 HydrophobicContact CZ-CE2 3.72Å; F235-F366 AromaticContact CZ-CZ 3.85Å; F235-F366 HydrophobicContact CZ-CZ 3.85Å; F296-F366 HydrophobicContact CD2-CD2 4.44Å; F296-F366 AromaticContact CE2-CD2 3.67Å; F296-F366 HydrophobicContact CE2-CD2 3.67Å; F296-F366 AromaticContact CE2-CE2 3.63Å; F296-F366 HydrophobicContact CE2-CE2 3.63Å; F296-F366 HydrophobicContact CZ-CE2 4.1Å; F299-F366 HydrophobicContact CB-CB 4.04Å; F299-F366 HydrophobicContact CB-CG 4.29Å; F299-F366 HydrophobicContact CD1-CB 3.73Å; F299-F366 HydrophobicContact CD2-CB 4.38Å; F299-F366 HydrophobicContact CE1-CB 4.24Å; F299-F366 HydrophobicContact CG-CB 3.79Å; L300-F366 HydrophobicContact CD2-CE2 4.43Å; L300-F366 HydrophobicContact CD2-CZ 4.24Å; F351-F366 WeakPolarHBondContact CD2-O 3.4Å; F352-F366 PolarHBondContact N-O 3.03Å; F352-F366 PolarHBondContact O-N 3.34Å; I354-F366 HydrophobicContact CG1-CD2 4.24Å; I354-F366 HydrophobicContact CG1-CE2 4.17Å; F366-T373 HydrophobicContact CD1-CG2 4.13Å; F366-V374 WeakPolarHBondContact CA-O 3.48Å; F366-F399 HydrophobicContact CD1-CE2 4.43Å; F366-F399 HydrophobicContact CD1-CZ 4.2Å; F366-F399 HydrophobicContact CD2-CE2 4.16Å; F366-F399 AromaticContact CE1-CE2 3.93Å; F366-F399 HydrophobicContact CE1-CE2 3.93Å; F366-F399 AromaticContact CE1-CZ 3.91Å; F366-F399 HydrophobicContact CE1-CZ 3.91Å; F366-F399 AromaticContact CE2-CE2 3.64Å; F366-F399 HydrophobicContact CE2-CE2 3.64Å; F366-F399 HydrophobicContact CE2-CZ 4.34Å; F366-F399 HydrophobicContact CZ-CD2 4.41Å; F366-F399 AromaticContact CZ-CE2 3.52Å; F366-F399 HydrophobicContact CZ-CE2 3.52Å; F366-F399 HydrophobicContact CZ-CZ 4Å; F366-F402 HydrophobicContact CE1-CD1 4.32Å; F366-F402 HydrophobicContact CE1-CE1 4.19Å; F366-F402 AromaticContact CZ-CD1 3.75Å; F366-F402 HydrophobicContact CZ-CD1 3.75Å; F366-F402 AromaticContact CZ-CE1 3.68Å; F366-F402 HydrophobicContact CZ-CE1 3.68Å; F366-I408 HydrophobicContact CD1-CD1 4.31Å; F366-I408 HydrophobicContact CE1-CD1 3.71Å
367	A	98.6	Very high	98.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	-174.7	172.5	0	0	0	0	0	110.2	V346 F351 T373 V374 I376	V346-A367 HydrophobicContact CB-CB 3.85Å; V346-A367 HydrophobicContact CG1-CB 3.42Å; V346-A367 VanDerWaalsContact CG1-CB 3.42Å; V346-A367 HydrophobicContact CG2-CB 4.46Å; F351-A367 HydrophobicContact CD2-CB 4.14Å; A367-T373 WeakPolarHBondContact O-CA 3.37Å; A367-V374 HydrophobicContact CB-CG2 3.94Å; A367-V374 PolarHBondContact N-O 3.01Å; A367-V374 PolarHBondContact O-N 3.4Å; A367-I376 HydrophobicContact CB-CD1 3.69Å; A367-I376 HydrophobicContact CB-CG1 4.42Å
368	R	98.4	Very high	98.3	Very high	16 Å²	16	14 Å²	14	6%	0.06	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	149.1	162.6	-65.3	-178.3	-170	75.5	9.7	112.2	N298 F299 D347 D350 R372	N298-R368 VanDerWaalsContact C-NH2 3.26Å; N298-R368 PolarHBondContact O-NH2 2.95Å; F299-R368 HydrophobicContact CD1-CG 4.42Å; F299-R368 HydrophobicContact CE1-CG 4.19Å; D347-R368 HydrophobicContact CB-CB 4.09Å; D347-R368 WeakPolarHBondContact CB-O 3.36Å; D347-R368 VanDerWaalsContact CG-C 3.46Å; D347-R368 PolarHBondContact N-O 2.75Å; D347-R368 WeakPolarHBondContact OD2-CB 3.29Å; D350-R368 IonicContact OD2-NH1 3.94Å; D350-R368 PolarHBondContact OD2-NH1 3.14Å; R368-R372 CarbonylContact C-O 3.5Å; R368-R372 WeakPolarHBondContact CA-O 3.39Å
369	M	98	Very high	98.3	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	116.9	170.5	-65.3	-66.5	-77.1	0	0	108.2	V346 D347 G371 R372 V374 I411 R534 I537 L541	V346-M369 HydrophobicContact CB-SD 4.46Å; V346-M369 HydrophobicContact CG1-SD 4.26Å; D347-M369 WeakPolarHBondContact OD1-CA 3.44Å; D347-M369 PolarHBondContact OD2-N 2.71Å; M369-G371 VanDerWaalsContact C-N 3.27Å; M369-G371 PolarHBondContact O-N 3.09Å; M369-R372 PolarHBondContact N-O 3.3Å; M369-R372 PolarHBondContact O-N 3.27Å; M369-V374 HydrophobicContact CB-CG1 4.14Å; M369-V374 HydrophobicContact CG-CG1 4.06Å; M369-V374 HydrophobicContact CG-CG2 3.81Å; M369-I411 HydrophobicContact CG-CD1 3.9Å; M369-R534 HydrophobicContact CE-CB 4.49Å; M369-R534 HydrophobicContact CE-CG 4.04Å; M369-I537 HydrophobicContact CE-CB 3.93Å; M369-I537 HydrophobicContact CE-CD1 4.47Å; M369-I537 HydrophobicContact CE-CG2 3.68Å; M369-L541 HydrophobicContact CB-CD1 3.68Å; M369-L541 HydrophobicContact CG-CD1 4.24Å
370	N	96.8	Very high	98.4	Very high	51 Å²	51	13 Å²	13	27%	0.273	6%	0.058	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	47.3	-172.5	-162.8	16.8	0	0	0	112.7	D347 R372 E542	D347-N370 PolarHBondContact OD1-N 3.43Å; D347-N370 PolarHBondContact OD2-N 2.93Å; N370-R372 VanDerWaalsContact C-N 3.26Å; N370-R372 PolarHBondContact O-N 2.98Å; N370-E542 PolarHBondContact ND2-OE1 3.47Å
371	G	96.5	Very high	98.3	Very high	1 Å²	1	8.8 Å²	8.8	1%	0.01	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-10.3	177.7	0	0	0	0	0	115.9	I310 R311 D347 M369	I310-G371 WeakPolarHBondContact CA-O 3.42Å; R311-G371 PolarHBondContact N-O 3.04Å; R311-G371 WeakPolarHBondContact O-CA 3.4Å; D347-G371 PolarHBondContact OD2-N 3.1Å; M369-G371 VanDerWaalsContact C-N 3.27Å; M369-G371 PolarHBondContact O-N 3.09Å
372	R	96.8	Very high	98.2	Very high	83 Å²	83	13.9 Å²	13.9	31%	0.313	6%	0.062	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	134.2	-175.2	-56.8	173.3	-176.6	-127.1	3.6	111.2	I310 R368 M369 N370 V374	I310-R372 HydrophobicContact CD1-CG 4.41Å; I310-R372 HydrophobicContact CG1-CG 4.31Å; I310-R372 HydrophobicContact CG2-CG 4.5Å; R368-R372 CarbonylContact C-O 3.5Å; R368-R372 WeakPolarHBondContact CA-O 3.39Å; M369-R372 PolarHBondContact N-O 3.3Å; M369-R372 PolarHBondContact O-N 3.27Å; N370-R372 VanDerWaalsContact C-N 3.26Å; N370-R372 PolarHBondContact O-N 2.98Å; R372-V374 PolarHBondContact O-N 2.83Å
373	T	98.4	Very high	98.1	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.012	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	135.4	171.8	-58.2	0	0	0	0	111.3	F299 F366 A367 I408	F299-T373 HydrophobicContact CB-CG2 3.93Å; F299-T373 HydrophobicContact CD1-CG2 4.16Å; F299-T373 WeakPolarHBondContact O-CB 3.41Å; F299-T373 VanDerWaalsContact O-CG2 3.29Å; F299-T373 WeakPolarHBondContact O-CG2 3.44Å; F299-T373 PolarHBondContact O-OG1 2.77Å; F366-T373 HydrophobicContact CD1-CG2 4.13Å; A367-T373 WeakPolarHBondContact O-CA 3.37Å; T373-I408 HydrophobicContact CG2-CD1 4.28Å; T373-I408 HydrophobicContact CG2-CG2 3.94Å
374	V	98.8	Very high	97.9	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.7	169.7	-62.2	0	0	0	0	110	F366 A367 M369 R372 I376 P409 I411 L541	F366-V374 WeakPolarHBondContact CA-O 3.48Å; A367-V374 HydrophobicContact CB-CG2 3.94Å; A367-V374 PolarHBondContact N-O 3.01Å; A367-V374 PolarHBondContact O-N 3.4Å; M369-V374 HydrophobicContact CB-CG1 4.14Å; M369-V374 HydrophobicContact CG-CG1 4.06Å; M369-V374 HydrophobicContact CG-CG2 3.81Å; R372-V374 PolarHBondContact O-N 2.83Å; V374-I376 HydrophobicContact CG2-CD1 4.48Å; V374-I376 HydrophobicContact CG2-CG1 4.24Å; V374-P409 HydrophobicContact CG1-CB 4.39Å; V374-I411 HydrophobicContact CB-CD1 3.88Å; V374-I411 HydrophobicContact CB-CG1 4.48Å; V374-I411 HydrophobicContact CG1-CD1 3.99Å; V374-I411 HydrophobicContact CG2-CD1 3.81Å; V374-L541 HydrophobicContact CG1-CD1 3.84Å
375	G	98.8	Very high	97.7	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	132.7	165.4	0	0	0	0	0	109.4	P409 I410 I411	G375-P409 PolarHBondContact N-O 3.13Å; G375-I410 CarbonylContact O-C 3.45Å; G375-I410 WeakPolarHBondContact O-CA 3.23Å; G375-I411 PolarHBondContact O-N 2.85Å
376	I	98.9	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.2	178.1	-60.1	-178.1	0	0	0	109.1	I342 V346 F351 V364 G365 A367 V374 F399 I411 F413	I342-I376 HydrophobicContact CD1-CG2 3.79Å; I342-I376 HydrophobicContact CG1-CG2 4.01Å; I342-I376 HydrophobicContact CG2-CD1 3.79Å; V346-I376 HydrophobicContact CG1-CD1 3.57Å; F351-I376 HydrophobicContact CD2-CD1 4.32Å; F351-I376 HydrophobicContact CE2-CB 4.04Å; F351-I376 HydrophobicContact CE2-CD1 4.25Å; F351-I376 HydrophobicContact CE2-CG1 4.5Å; V364-I376 VanDerWaalsContact CA-O 3.26Å; V364-I376 WeakPolarHBondContact CA-O 2.94Å; G365-I376 PolarHBondContact N-O 3.09Å; G365-I376 VanDerWaalsContact N-O 3.16Å; G365-I376 PolarHBondContact O-N 2.83Å; A367-I376 HydrophobicContact CB-CD1 3.69Å; A367-I376 HydrophobicContact CB-CG1 4.42Å; V374-I376 HydrophobicContact CG2-CD1 4.48Å; V374-I376 HydrophobicContact CG2-CG1 4.24Å; I376-F399 WeakPolarHBondContact O-CE1 3.46Å; I376-I411 WeakPolarHBondContact CA-O 3.43Å; I376-F413 HydrophobicContact CG2-CD2 3.95Å; I376-F413 HydrophobicContact CG2-CE2 4.04Å
377	V	98.9	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128	169.8	-178	0	0	0	0	108.1	I362 V363 V364 F399 V400 I410 I411 T412 F413 Y441 M464	I362-V377 HydrophobicContact CD1-CG1 3.69Å; I362-V377 HydrophobicContact CG1-CG1 4.09Å; V363-V377 CarbonylContact O-C 3.49Å; V363-V377 WeakPolarHBondContact O-CA 3.25Å; V364-V377 HydrophobicContact CG1-CB 4.49Å; V364-V377 HydrophobicContact CG1-CG1 4.17Å; V364-V377 HydrophobicContact CG1-CG2 4.15Å; V377-F399 HydrophobicContact CG2-CD1 3.8Å; V377-F399 HydrophobicContact CG2-CE1 4.14Å; V377-V400 HydrophobicContact CG2-CG2 4Å; V377-I410 HydrophobicContact CG2-CG2 4.33Å; V377-I411 PolarHBondContact N-O 3.22Å; V377-T412 CarbonylContact O-C 3.54Å; V377-T412 VanDerWaalsContact O-CA 3.27Å; V377-T412 WeakPolarHBondContact O-CA 3.47Å; V377-F413 PolarHBondContact O-N 3.17Å; V377-Y441 WeakPolarHBondContact CB-OH 3.36Å; V377-Y441 WeakPolarHBondContact CG1-OH 3.45Å; V377-M464 HydrophobicContact CG1-CE 4.14Å
378	G	98.4	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	137.7	-178.8	0	0	0	0	0	113.4	I362 V363 F413	I362-G378 CarbonylContact C-O 3.58Å; I362-G378 WeakPolarHBondContact CA-O 3.17Å; I362-G378 WeakPolarHBondContact CG1-O 3.24Å; V363-G378 PolarHBondContact N-O 3.22Å; V363-G378 PolarHBondContact O-N 2.91Å; G378-F413 WeakPolarHBondContact CA-O 3.33Å
379	N	98.8	Very high	97.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	145.2	167.9	-58.4	104	0	0	0	110	M338 P381 G386 F413 D415 M464	M338-N379 WeakPolarHBondContact CB-O 3.4Å; M338-N379 VanDerWaalsContact CE-O 3.25Å; M338-N379 WeakPolarHBondContact CE-O 3.24Å; M338-N379 VanDerWaalsContact CG-O 3.25Å; M338-N379 WeakPolarHBondContact CG-O 3.2Å; N379-P381 WeakPolarHBondContact O-CD 3.35Å; N379-G386 PolarHBondContact ND2-O 3.23Å; N379-G386 VanDerWaalsContact ND2-O 3.13Å; N379-F413 PolarHBondContact N-O 3.37Å; N379-F413 PolarHBondContact OD1-O 2.91Å; N379-D415 VanDerWaalsContact CB-O 3.27Å; N379-D415 WeakPolarHBondContact CB-O 3.41Å; N379-D415 PolarHBondContact OD1-N 3.32Å; N379-M464 WeakPolarHBondContact OD1-CE 3.48Å
380	Q	98.4	Very high	97.5	Very high	11 Å²	11	23.8 Å²	23.8	5%	0.051	13%	0.131	C	C	.	.			trans	-112.7	97.2	179.6	175.2	53.9	-92.7	0	0	111	Y336 D337 K360 N361 V363 K382 V383 G386	Y336-Q380 PolarHBondContact O-OE1 3.41Å; D337-Q380 PolarHBondContact OD1-NE2 2.91Å; K360-Q380 WeakPolarHBondContact O-CB 3.26Å; K360-Q380 VanDerWaalsContact O-CG 3.24Å; K360-Q380 WeakPolarHBondContact O-CG 3.46Å; N361-Q380 PolarHBondContact O-N 3.46Å; V363-Q380 HydrophobicContact CG2-CB 4.3Å; Q380-K382 HydrophobicContact CG-CB 4.46Å; Q380-K382 PolarHBondContact O-N 3.03Å; Q380-K382 VanDerWaalsContact O-N 3.16Å; Q380-V383 HydrophobicContact CG-CB 4.23Å; Q380-V383 HydrophobicContact CG-CG2 4.04Å; Q380-V383 PolarHBondContact O-N 3.22Å; Q380-G386 WeakPolarHBondContact O-CA 3.42Å; Q380-G386 PolarHBondContact O-N 3.47Å
381	P	97.3	Very high	97.6	Very high	6 Å²	6	24.6 Å²	24.6	4%	0.039	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-26.7	-176.7	-26.4	37	0	0	0	114.5	A335 Y336 N379 V383 S385 D415	A335-P381 HydrophobicContact CB-CB 4.16Å; A335-P381 WeakPolarHBondContact CB-O 3.42Å; Y336-P381 HydrophobicContact CD1-CG 4.35Å; Y336-P381 HydrophobicContact CE1-CB 4.45Å; Y336-P381 HydrophobicContact CE1-CG 3.85Å; Y336-P381 HydrophobicContact CE2-CG 4.29Å; N379-P381 WeakPolarHBondContact O-CD 3.35Å; P381-V383 PolarHBondContact O-N 2.73Å; P381-S385 WeakPolarHBondContact O-CA 3.45Å; P381-D415 HydrophobicContact CG-CB 4Å; P381-D415 WeakPolarHBondContact CG-OD2 3.43Å
382	K	96.8	Very high	97.7	Very high	116 Å²	116	24.6 Å²	24.6	50%	0.504	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.4	175.4	-73.9	180	-177.9	175.1	0	113.8	A335 D337 Q380	A335-K382 HydrophobicContact CB-CG 4.26Å; D337-K382 HydrophobicContact CB-CD 4.13Å; D337-K382 VanDerWaalsContact CB-NZ 3.35Å; D337-K382 WeakPolarHBondContact OD2-CD 3.29Å; D337-K382 WeakPolarHBondContact OD2-CE 3.48Å; D337-K382 IonicContact OD2-NZ 2.7Å; D337-K382 PolarHBondContact OD2-NZ 2.83Å; Q380-K382 HydrophobicContact CG-CB 4.46Å; Q380-K382 PolarHBondContact O-N 3.03Å; Q380-K382 VanDerWaalsContact O-N 3.16Å
383	V	96.8	Very high	97.8	Very high	52 Å²	52	20.6 Å²	20.6	32%	0.315	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	120.3	-176.9	-177.8	0	0	0	0	110.2	K360 N361 Q380 P381 S385 G386	K360-V383 HydrophobicContact CB-CB 4.31Å; K360-V383 HydrophobicContact CB-CG1 3.96Å; K360-V383 HydrophobicContact CB-CG2 3.94Å; N361-V383 HydrophobicContact CB-CB 4.4Å; N361-V383 HydrophobicContact CB-CG1 4.14Å; N361-V383 WeakPolarHBondContact CB-O 3.47Å; Q380-V383 HydrophobicContact CG-CB 4.23Å; Q380-V383 HydrophobicContact CG-CG2 4.04Å; Q380-V383 PolarHBondContact O-N 3.22Å; P381-V383 PolarHBondContact O-N 2.73Å; V383-S385 PolarHBondContact O-N 3.1Å; V383-G386 PolarHBondContact O-N 2.9Å
384	A	93.7	Very high	97.8	Very high	48 Å²	48	22.8 Å²	22.8	40%	0.397	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	48.2	33.3	-177.9	0	0	0	0	0	113.5	N361 G386 C387	N361-A384 HydrophobicContact CB-CB 4.24Å; A384-G386 PolarHBondContact O-N 3.39Å; A384-G386 VanDerWaalsContact O-N 3.14Å; A384-C387 VanDerWaalsContact O-CB 3.3Å; A384-C387 WeakPolarHBondContact O-CB 3.41Å; A384-C387 PolarHBondContact O-N 3.49Å; A384-C387 VanDerWaalsContact O-N 3.09Å; A384-C387 PolarHBondContact O-SG 3.34Å
385	S	94.1	Very high	97.8	Very high	74 Å²	74	23 Å²	23	52%	0.517	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	56.6	22.3	-176.7	-53.9	0	0	0	0	115.2	P381 V383 C387 P417	P381-S385 WeakPolarHBondContact O-CA 3.45Å; V383-S385 PolarHBondContact O-N 3.1Å; S385-C387 VanDerWaalsContact C-N 3.26Å; S385-C387 PolarHBondContact O-N 3.38Å; S385-P417 WeakPolarHBondContact O-CD 3.38Å; S385-P417 WeakPolarHBondContact O-CG 3.3Å
386	G	96.3	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	75.2	6.8	-175.7	0	0	0	0	0	115	N379 Q380 V383 A384	N379-G386 PolarHBondContact ND2-O 3.23Å; N379-G386 VanDerWaalsContact ND2-O 3.13Å; Q380-G386 WeakPolarHBondContact O-CA 3.42Å; Q380-G386 PolarHBondContact O-N 3.47Å; V383-G386 PolarHBondContact O-N 2.9Å; A384-G386 PolarHBondContact O-N 3.39Å; A384-G386 VanDerWaalsContact O-N 3.14Å
387	C	97.3	Very high	97.8	Very high	17 Å²	17	23.3 Å²	23.3	12%	0.115	14%	0.136	C	C	.	.			trans	-55.8	145.3	178.2	-69.9	0	0	0	0	112.5	N361 A384 S385 P417 G418 L420	N361-C387 PolarHBondContact ND2-O 3.16Å; A384-C387 VanDerWaalsContact O-CB 3.3Å; A384-C387 WeakPolarHBondContact O-CB 3.41Å; A384-C387 PolarHBondContact O-N 3.49Å; A384-C387 VanDerWaalsContact O-N 3.09Å; A384-C387 PolarHBondContact O-SG 3.34Å; S385-C387 VanDerWaalsContact C-N 3.26Å; S385-C387 PolarHBondContact O-N 3.38Å; C387-P417 VanDerWaalsContact SG-CG 3.57Å; C387-G418 WeakPolarHBondContact CA-O 3.38Å; C387-L420 HydrophobicContact CB-CB 4.28Å
388	L	98.6	Very high	97.8	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-80.8	141	167.9	-67.5	175.5	0	0	0	111.4	I362 S392 V416 G418 F419 L420 L437 A460 V463 M464	I362-L388 HydrophobicContact CD1-CD2 4.15Å; L388-S392 WeakPolarHBondContact CA-OG 3.41Å; L388-V416 HydrophobicContact CG-CG2 4.15Å; L388-G418 PolarHBondContact N-O 3.07Å; L388-G418 VanDerWaalsContact N-O 3.07Å; L388-F419 HydrophobicContact CB-CD1 3.56Å; L388-F419 HydrophobicContact CB-CE1 3.52Å; L388-F419 HydrophobicContact CB-CG 4.22Å; L388-F419 HydrophobicContact CB-CZ 4.13Å; L388-F419 HydrophobicContact CD1-CE1 4.06Å; L388-F419 HydrophobicContact CD1-CE2 4.37Å; L388-F419 HydrophobicContact CD1-CZ 3.85Å; L388-F419 HydrophobicContact CG-CE1 4.45Å; L388-F419 CarbonylContact O-C 3.58Å; L388-F419 VanDerWaalsContact O-CA 3.24Å; L388-F419 WeakPolarHBondContact O-CA 3.4Å; L388-F419 WeakPolarHBondContact O-CD1 3.46Å; L388-L420 PolarHBondContact O-N 2.89Å; L388-L437 HydrophobicContact CD1-CD2 4.32Å; L388-L437 HydrophobicContact CD2-CD2 4.03Å; L388-A460 HydrophobicContact CD1-CB 4.18Å; L388-V463 HydrophobicContact CD1-CB 4.32Å; L388-V463 HydrophobicContact CD1-CG1 3.84Å; L388-M464 HydrophobicContact CD1-CG 4.28Å; L388-M464 HydrophobicContact CD1-SD 4.11Å; L388-M464 HydrophobicContact CD2-SD 4.08Å
389	D	98.3	Very high	97.8	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.091	16%	0.159	C	C	.	.			trans	-138.7	-176.3	174.1	68.4	40.8	0	0	0	111.1	N361 N391 S392 S393 L420 I430	N361-D389 PolarHBondContact ND2-OD2 3.23Å; D389-N391 VanDerWaalsContact C-N 3.33Å; D389-N391 PolarHBondContact O-N 3.27Å; D389-N391 WeakPolarHBondContact OD1-CA 3.46Å; D389-N391 WeakPolarHBondContact OD1-CB 3.28Å; D389-N391 PolarHBondContact OD1-N 3.04Å; D389-S392 PolarHBondContact N-OG 3.42Å; D389-S392 PolarHBondContact O-OG 3.26Å; D389-S392 PolarHBondContact OD1-N 2.82Å; D389-S393 WeakPolarHBondContact O-CB 3.33Å; D389-S393 PolarHBondContact O-N 3.12Å; D389-S393 PolarHBondContact O-OG 3.38Å; D389-L420 HydrophobicContact CB-CB 4.07Å; D389-L420 HydrophobicContact CB-CD2 4.18Å; D389-I430 VanDerWaalsContact C-CD1 3.49Å
390	I	98.6	Very high	97.8	Very high	22 Å²	22	29.3 Å²	29.3	11%	0.113	16%	0.159	C	C	.	.	H	α-helix	trans	-52.6	-49	177.7	-73.4	164.3	0	0	0	112.1	V394 Q425 I430 H433	I390-V394 VanDerWaalsContact O-CG2 3.32Å; I390-V394 WeakPolarHBondContact O-CG2 3.26Å; I390-V394 PolarHBondContact O-N 3.21Å; I390-V394 VanDerWaalsContact O-N 3.1Å; I390-Q425 VanDerWaalsContact N-OE1 3.11Å; I390-I430 HydrophobicContact CG1-CB 4.15Å; I390-I430 HydrophobicContact CG1-CD1 3.9Å; I390-H433 HydrophobicContact CB-CB 4.25Å; I390-H433 HydrophobicContact CG1-CB 4.09Å; I390-H433 HydrophobicContact CG2-CB 4.06Å
391	N	98.6	Very high	97.8	Very high	68 Å²	68	33.4 Å²	33.4	36%	0.364	17%	0.174	S	C	.	.	H	α-helix	trans	-75.8	-41.1	-171.4	-66.8	-18	0	0	0	110.9	Y358 A359 D389 S393 V394 K395	Y358-N391 HydrophobicContact CE1-CB 4.08Å; Y358-N391 HydrophobicContact CE2-CB 4.34Å; Y358-N391 WeakPolarHBondContact OH-CB 3.49Å; Y358-N391 VanDerWaalsContact OH-CG 3.23Å; Y358-N391 PolarHBondContact OH-OD1 2.68Å; Y358-N391 VanDerWaalsContact OH-OD1 3.13Å; A359-N391 HydrophobicContact CB-CB 3.9Å; D389-N391 VanDerWaalsContact C-N 3.33Å; D389-N391 PolarHBondContact O-N 3.27Å; D389-N391 WeakPolarHBondContact OD1-CA 3.46Å; D389-N391 WeakPolarHBondContact OD1-CB 3.28Å; D389-N391 PolarHBondContact OD1-N 3.04Å; N391-S393 VanDerWaalsContact C-N 3.33Å; N391-V394 PolarHBondContact O-N 2.94Å; N391-K395 WeakPolarHBondContact O-CB 3.49Å; N391-K395 PolarHBondContact O-N 2.68Å
392	S	98.6	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.6	-37.9	176.3	86.6	0	0	0	0	111.4	L388 D389 G396	L388-S392 WeakPolarHBondContact CA-OG 3.41Å; D389-S392 PolarHBondContact N-OG 3.42Å; D389-S392 PolarHBondContact O-OG 3.26Å; D389-S392 PolarHBondContact OD1-N 2.82Å; S392-G396 PolarHBondContact O-N 2.84Å
393	S	98.7	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-68.3	-39.9	177.3	-56	0	0	0	0	111.8	D389 N391 A397 H433	D389-S393 WeakPolarHBondContact O-CB 3.33Å; D389-S393 PolarHBondContact O-N 3.12Å; D389-S393 PolarHBondContact O-OG 3.38Å; N391-S393 VanDerWaalsContact C-N 3.33Å; S393-A397 WeakPolarHBondContact O-CB 3.36Å; S393-A397 PolarHBondContact O-N 3.28Å; S393-H433 VanDerWaalsContact CB-O 3.24Å; S393-H433 WeakPolarHBondContact CB-O 3.33Å
394	V	98.7	Very high	98.1	Very high	47 Å²	47	27 Å²	27	29%	0.285	14%	0.143	S	C	.	.	H	α-helix	trans	-66.6	-46.3	174.2	170.8	0	0	0	0	111.6	I390 N391 A397 R398 H433 K436	I390-V394 VanDerWaalsContact O-CG2 3.32Å; I390-V394 WeakPolarHBondContact O-CG2 3.26Å; I390-V394 PolarHBondContact O-N 3.21Å; I390-V394 VanDerWaalsContact O-N 3.1Å; N391-V394 PolarHBondContact O-N 2.94Å; V394-A397 PolarHBondContact O-N 3.37Å; V394-R398 PolarHBondContact O-N 3.13Å; V394-R398 VanDerWaalsContact O-N 3.11Å; V394-H433 HydrophobicContact CG2-CB 4.49Å; V394-K436 HydrophobicContact CG2-CD 3.98Å
395	K	98.8	Very high	98.3	Very high	6 Å²	6	26.4 Å²	26.4	3%	0.026	14%	0.137	C	C	.	.	H	α-helix	trans	-56.2	-54	175.8	172.5	175.8	172.5	179.1	0	111.3	I354 M355 Y358 A359 I362 V364 N391 A397 F399	I354-K395 WeakPolarHBondContact O-CE 3.4Å; M355-K395 HydrophobicContact CB-CD 4.02Å; M355-K395 PolarHBondContact O-NZ 2.97Å; M355-K395 HydrophobicContact SD-CB 4.38Å; M355-K395 HydrophobicContact SD-CD 4.37Å; M355-K395 HydrophobicContact SD-CG 3.97Å; Y358-K395 WeakPolarHBondContact O-CD 3.13Å; Y358-K395 PolarHBondContact O-NZ 2.87Å; A359-K395 HydrophobicContact CB-CB 4.42Å; A359-K395 HydrophobicContact CB-CD 3.95Å; I362-K395 HydrophobicContact CG2-CB 4.4Å; I362-K395 HydrophobicContact CG2-CD 3.81Å; I362-K395 HydrophobicContact CG2-CG 4.17Å; I362-K395 VanDerWaalsContact O-CE 3.24Å; I362-K395 WeakPolarHBondContact O-CE 3.14Å; I362-K395 PolarHBondContact O-NZ 2.87Å; V364-K395 HydrophobicContact CG1-CG 4.42Å; V364-K395 HydrophobicContact CG2-CD 4.43Å; V364-K395 HydrophobicContact CG2-CG 3.99Å; N391-K395 WeakPolarHBondContact O-CB 3.49Å; N391-K395 PolarHBondContact O-N 2.68Å; K395-A397 PolarHBondContact O-N 3.26Å; K395-F399 PolarHBondContact O-N 2.87Å
396	G	98.8	Very high	98.5	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-60.8	-44.9	178.4	0	0	0	0	0	112.6	S392 F399 V400	S392-G396 PolarHBondContact O-N 2.84Å; G396-F399 PolarHBondContact O-N 3.17Å; G396-V400 WeakPolarHBondContact O-CB 3.19Å; G396-V400 WeakPolarHBondContact O-CG2 3.27Å; G396-V400 PolarHBondContact O-N 3.22Å
397	A	98.9	Very high	98.6	Very high	5 Å²	5	26.5 Å²	26.5	4%	0.041	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-44.4	-176.2	0	0	0	0	0	113	S393 V394 K395 F399 R401 K436 L437 A440	S393-A397 WeakPolarHBondContact O-CB 3.36Å; S393-A397 PolarHBondContact O-N 3.28Å; V394-A397 PolarHBondContact O-N 3.37Å; K395-A397 PolarHBondContact O-N 3.26Å; A397-F399 VanDerWaalsContact C-N 3.33Å; A397-F399 PolarHBondContact O-N 2.71Å; A397-R401 WeakPolarHBondContact O-CG 3.41Å; A397-R401 PolarHBondContact O-N 2.94Å; A397-R401 VanDerWaalsContact O-N 3.09Å; A397-K436 HydrophobicContact CB-CB 3.63Å; A397-K436 WeakPolarHBondContact CB-O 3.2Å; A397-L437 HydrophobicContact CB-CB 4.48Å; A397-A440 HydrophobicContact CB-CB 4.22Å
398	R	98.9	Very high	98.7	Very high	119 Å²	119	25.7 Å²	25.7	45%	0.449	13%	0.127	S	C	.	.	H	α-helix	trans	-63.2	-42.1	177.4	-169.8	175.8	-176	137.6	-0.5	110.7	A231 T233 V394 R401 F402	A231-R398 PolarHBondContact O-NH2 3.19Å; T233-R398 PolarHBondContact O-NH2 2.86Å; V394-R398 PolarHBondContact O-N 3.13Å; V394-R398 VanDerWaalsContact O-N 3.11Å; R398-R401 PolarHBondContact O-N 3Å; R398-F402 PolarHBondContact O-N 2.99Å
399	F	98.9	Very high	98.6	Very high	8 Å²	8	26.8 Å²	26.8	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-64.7	-47	179	-174.4	-96.6	0	0	0	113.1	I354 V364 G365 F366 I376 V377 K395 G396 A397 R401 F402 C403	I354-F399 HydrophobicContact CG1-CE2 4.37Å; V364-F399 HydrophobicContact CB-CB 4.16Å; V364-F399 HydrophobicContact CB-CD1 3.81Å; V364-F399 HydrophobicContact CB-CD2 4.1Å; V364-F399 HydrophobicContact CB-CE1 4.25Å; V364-F399 HydrophobicContact CB-CG 3.73Å; V364-F399 HydrophobicContact CG1-CB 4.33Å; V364-F399 HydrophobicContact CG1-CD1 4.24Å; V364-F399 HydrophobicContact CG1-CG 4.31Å; V364-F399 HydrophobicContact CG2-CB 4.07Å; V364-F399 HydrophobicContact CG2-CD1 4.49Å; V364-F399 HydrophobicContact CG2-CD2 3.96Å; V364-F399 HydrophobicContact CG2-CG 3.9Å; G365-F399 WeakPolarHBondContact O-CZ 3.36Å; F366-F399 HydrophobicContact CD1-CE2 4.43Å; F366-F399 HydrophobicContact CD1-CZ 4.2Å; F366-F399 HydrophobicContact CD2-CE2 4.16Å; F366-F399 AromaticContact CE1-CE2 3.93Å; F366-F399 HydrophobicContact CE1-CE2 3.93Å; F366-F399 AromaticContact CE1-CZ 3.91Å; F366-F399 HydrophobicContact CE1-CZ 3.91Å; F366-F399 AromaticContact CE2-CE2 3.64Å; F366-F399 HydrophobicContact CE2-CE2 3.64Å; F366-F399 HydrophobicContact CE2-CZ 4.34Å; F366-F399 HydrophobicContact CZ-CD2 4.41Å; F366-F399 AromaticContact CZ-CE2 3.52Å; F366-F399 HydrophobicContact CZ-CE2 3.52Å; F366-F399 HydrophobicContact CZ-CZ 4Å; I376-F399 WeakPolarHBondContact O-CE1 3.46Å; V377-F399 HydrophobicContact CG2-CD1 3.8Å; V377-F399 HydrophobicContact CG2-CE1 4.14Å; K395-F399 PolarHBondContact O-N 2.87Å; G396-F399 PolarHBondContact O-N 3.17Å; A397-F399 VanDerWaalsContact C-N 3.33Å; A397-F399 PolarHBondContact O-N 2.71Å; F399-R401 PolarHBondContact O-N 2.83Å; F399-F402 PolarHBondContact O-N 2.81Å; F399-C403 VanDerWaalsContact CE1-SG 3.52Å; F399-C403 PolarHBondContact O-N 3.29Å; F399-C403 PolarHBondContact O-SG 3.4Å
400	V	98.9	Very high	98.7	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.9	-44.3	177	167.8	0	0	0	0	111.2	V377 G396 C403 D404 I410 L437 A440 Y441 A444	V377-V400 HydrophobicContact CG2-CG2 4Å; G396-V400 WeakPolarHBondContact O-CB 3.19Å; G396-V400 WeakPolarHBondContact O-CG2 3.27Å; G396-V400 PolarHBondContact O-N 3.22Å; V400-C403 PolarHBondContact O-N 3.33Å; V400-D404 PolarHBondContact O-N 2.93Å; V400-I410 HydrophobicContact CB-CD1 4.3Å; V400-I410 HydrophobicContact CG1-CD1 3.8Å; V400-I410 HydrophobicContact CG2-CD1 4.42Å; V400-L437 HydrophobicContact CG2-CD1 4.29Å; V400-A440 HydrophobicContact CB-CB 3.87Å; V400-A440 HydrophobicContact CG1-CB 3.61Å; V400-Y441 HydrophobicContact CG1-CD1 3.98Å; V400-Y441 HydrophobicContact CG1-CE1 4.19Å; V400-Y441 HydrophobicContact CG1-CG 4.36Å; V400-Y441 HydrophobicContact CG2-CD1 4.3Å; V400-Y441 HydrophobicContact CG2-CE1 3.74Å; V400-Y441 HydrophobicContact CG2-CE2 4.16Å; V400-A444 HydrophobicContact CG1-CB 4.45Å
401	R	98.9	Very high	98.7	Very high	96 Å²	96	25 Å²	25	36%	0.362	13%	0.125	S	C	.	.	H	α-helix	trans	-68.8	-33.8	178.5	-66	-170.7	82.2	-107.3	-5.4	113.2	A397 R398 F399 A405 A440 E443	A397-R401 WeakPolarHBondContact O-CG 3.41Å; A397-R401 PolarHBondContact O-N 2.94Å; A397-R401 VanDerWaalsContact O-N 3.09Å; R398-R401 PolarHBondContact O-N 3Å; F399-R401 PolarHBondContact O-N 2.83Å; R401-A405 VanDerWaalsContact O-CB 3.29Å; R401-A405 WeakPolarHBondContact O-CB 3.29Å; R401-A405 PolarHBondContact O-N 3.4Å; R401-A440 HydrophobicContact CG-CB 3.68Å; R401-E443 IonicContact CZ-OE2 3.47Å; R401-E443 VanDerWaalsContact CZ-OE2 3.22Å; R401-E443 IonicContact NE-OE2 3.32Å; R401-E443 PolarHBondContact NE-OE2 3.24Å; R401-E443 IonicContact NH2-OE1 3.91Å; R401-E443 IonicContact NH2-OE2 2.73Å; R401-E443 PolarHBondContact NH2-OE2 3.32Å
402	F	98.9	Very high	98.7	Very high	14 Å²	14	21.8 Å²	21.8	6%	0.061	11%	0.107	C	C	.	.	H	α-helix	trans	-63.1	-47.9	171.2	176.8	-88	0	0	0	111	D234 F235 L300 F366 R398 F399 D404 A405 F406 I408	D234-F402 HydrophobicContact CB-CD2 3.62Å; D234-F402 HydrophobicContact CB-CE2 3.58Å; F235-F402 HydrophobicContact CD2-CE2 4.39Å; F235-F402 AromaticContact CE2-CD1 3.94Å; F235-F402 HydrophobicContact CE2-CD1 3.94Å; F235-F402 AromaticContact CE2-CD2 3.8Å; F235-F402 HydrophobicContact CE2-CD2 3.8Å; F235-F402 AromaticContact CE2-CE1 3.75Å; F235-F402 HydrophobicContact CE2-CE1 3.75Å; F235-F402 AromaticContact CE2-CE2 3.58Å; F235-F402 HydrophobicContact CE2-CE2 3.58Å; F235-F402 AromaticContact CE2-CG 3.98Å; F235-F402 HydrophobicContact CE2-CG 3.98Å; F235-F402 AromaticContact CE2-CZ 3.58Å; F235-F402 HydrophobicContact CE2-CZ 3.58Å; F235-F402 AromaticContact CZ-CD1 3.84Å; F235-F402 HydrophobicContact CZ-CD1 3.84Å; F235-F402 HydrophobicContact CZ-CD2 4.25Å; F235-F402 HydrophobicContact CZ-CE1 4.02Å; F235-F402 HydrophobicContact CZ-CE2 4.39Å; F235-F402 AromaticContact CZ-CG 3.99Å; F235-F402 HydrophobicContact CZ-CG 3.99Å; F235-F402 HydrophobicContact CZ-CZ 4.31Å; L300-F402 HydrophobicContact CD1-CZ 4.41Å; L300-F402 HydrophobicContact CD2-CE1 3.8Å; L300-F402 HydrophobicContact CD2-CZ 3.83Å; F366-F402 HydrophobicContact CE1-CD1 4.32Å; F366-F402 HydrophobicContact CE1-CE1 4.19Å; F366-F402 AromaticContact CZ-CD1 3.75Å; F366-F402 HydrophobicContact CZ-CD1 3.75Å; F366-F402 AromaticContact CZ-CE1 3.68Å; F366-F402 HydrophobicContact CZ-CE1 3.68Å; R398-F402 PolarHBondContact O-N 2.99Å; F399-F402 PolarHBondContact O-N 2.81Å; F402-D404 VanDerWaalsContact C-N 3.33Å; F402-D404 PolarHBondContact O-N 3.22Å; F402-A405 PolarHBondContact O-N 3.45Å; F402-F406 HydrophobicContact CD1-CD2 4.41Å; F402-F406 AromaticContact CD2-CD2 3.59Å; F402-F406 HydrophobicContact CD2-CD2 3.59Å; F402-F406 AromaticContact CD2-CE2 3.69Å; F402-F406 HydrophobicContact CD2-CE2 3.69Å; F402-F406 HydrophobicContact CE1-CD2 4.08Å; F402-F406 AromaticContact CE2-CD2 3.2Å; F402-F406 HydrophobicContact CE2-CD2 3.2Å; F402-F406 AromaticContact CE2-CE2 3.27Å; F402-F406 HydrophobicContact CE2-CE2 3.27Å; F402-F406 HydrophobicContact CE2-CG 4.25Å; F402-F406 HydrophobicContact CE2-CZ 4.36Å; F402-F406 HydrophobicContact CG-CD2 4.17Å; F402-F406 HydrophobicContact CZ-CB 4.46Å; F402-F406 AromaticContact CZ-CD2 3.46Å; F402-F406 HydrophobicContact CZ-CD2 3.46Å; F402-F406 VanDerWaalsContact CZ-CD2 3.46Å; F402-F406 AromaticContact CZ-CE2 3.94Å; F402-F406 HydrophobicContact CZ-CE2 3.94Å; F402-F406 HydrophobicContact CZ-CG 4.12Å; F402-F406 WeakPolarHBondContact O-CD2 3.49Å; F402-F406 PolarHBondContact O-N 3.36Å; F402-I408 HydrophobicContact CE1-CD1 4.05Å
403	C	98.8	Very high	98.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59.4	-44.7	179.5	-65.3	0	0	0	0	111.6	F399 V400 F406 N407 I408 I410	F399-C403 VanDerWaalsContact CE1-SG 3.52Å; F399-C403 PolarHBondContact O-N 3.29Å; F399-C403 PolarHBondContact O-SG 3.4Å; V400-C403 PolarHBondContact O-N 3.33Å; C403-F406 CarbonylContact O-C 3.48Å; C403-F406 PolarHBondContact O-N 2.99Å; C403-N407 PolarHBondContact O-N 3.01Å; C403-I408 HydrophobicContact CB-CB 4.03Å; C403-I408 HydrophobicContact CB-CG2 4.4Å; C403-I408 PolarHBondContact O-N 2.91Å; C403-I410 HydrophobicContact CB-CD1 3.86Å; C403-I410 HydrophobicContact CB-CG1 3.79Å
404	D	98.8	Very high	98.7	Very high	27 Å²	27	21.9 Å²	21.9	14%	0.144	11%	0.108	C	C	.	.	H	α-helix	trans	-62.7	-47.5	177	-170.7	62	0	0	0	112.9	V400 F402 F406 N407 A444 T445 V446	V400-D404 PolarHBondContact O-N 2.93Å; F402-D404 VanDerWaalsContact C-N 3.33Å; F402-D404 PolarHBondContact O-N 3.22Å; D404-F406 PolarHBondContact O-N 3.07Å; D404-F406 VanDerWaalsContact O-N 3.13Å; D404-N407 PolarHBondContact O-N 3.45Å; D404-A444 HydrophobicContact CB-CB 3.98Å; D404-A444 VanDerWaalsContact CG-CA 3.46Å; D404-A444 VanDerWaalsContact OD1-CA 3.29Å; D404-A444 WeakPolarHBondContact OD1-CA 3.43Å; D404-T445 PolarHBondContact OD1-N 3.08Å; D404-V446 HydrophobicContact CB-CG2 4.21Å; D404-V446 WeakPolarHBondContact OD1-CG2 3.38Å; D404-V446 PolarHBondContact OD1-N 3.3Å
405	A	98.6	Very high	98.7	Very high	34 Å²	34	19.6 Å²	19.6	28%	0.281	9%	0.094	S	C	.	.	H	α-helix	trans	-61.6	-22.5	-180	0	0	0	0	0	113.8	N304 R401 F402	N304-A405 WeakPolarHBondContact CB-O 3.25Å; R401-A405 VanDerWaalsContact O-CB 3.29Å; R401-A405 WeakPolarHBondContact O-CB 3.29Å; R401-A405 PolarHBondContact O-N 3.4Å; F402-A405 PolarHBondContact O-N 3.45Å
406	F	98.7	Very high	98.6	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.8	24.3	-177.9	-70.8	-68.5	0	0	0	113.5	I212 P213 P301 N304 F402 C403 D404 I408	I212-F406 VanDerWaalsContact C-CZ 3.46Å; P213-F406 HydrophobicContact CB-CZ 4.48Å; P213-F406 HydrophobicContact CG-CD1 4.12Å; P213-F406 HydrophobicContact CG-CE1 3.81Å; P213-F406 HydrophobicContact CG-CZ 4.12Å; P301-F406 HydrophobicContact CG-CB 3.76Å; P301-F406 HydrophobicContact CG-CD1 4Å; P301-F406 HydrophobicContact CG-CG 4.26Å; N304-F406 HydrophobicContact CB-CD1 4.33Å; N304-F406 HydrophobicContact CB-CE1 4.42Å; F402-F406 HydrophobicContact CD1-CD2 4.41Å; F402-F406 AromaticContact CD2-CD2 3.59Å; F402-F406 HydrophobicContact CD2-CD2 3.59Å; F402-F406 AromaticContact CD2-CE2 3.69Å; F402-F406 HydrophobicContact CD2-CE2 3.69Å; F402-F406 HydrophobicContact CE1-CD2 4.08Å; F402-F406 AromaticContact CE2-CD2 3.2Å; F402-F406 HydrophobicContact CE2-CD2 3.2Å; F402-F406 AromaticContact CE2-CE2 3.27Å; F402-F406 HydrophobicContact CE2-CE2 3.27Å; F402-F406 HydrophobicContact CE2-CG 4.25Å; F402-F406 HydrophobicContact CE2-CZ 4.36Å; F402-F406 HydrophobicContact CG-CD2 4.17Å; F402-F406 HydrophobicContact CZ-CB 4.46Å; F402-F406 AromaticContact CZ-CD2 3.46Å; F402-F406 HydrophobicContact CZ-CD2 3.46Å; F402-F406 VanDerWaalsContact CZ-CD2 3.46Å; F402-F406 AromaticContact CZ-CE2 3.94Å; F402-F406 HydrophobicContact CZ-CE2 3.94Å; F402-F406 HydrophobicContact CZ-CG 4.12Å; F402-F406 WeakPolarHBondContact O-CD2 3.49Å; F402-F406 PolarHBondContact O-N 3.36Å; C403-F406 CarbonylContact O-C 3.48Å; C403-F406 PolarHBondContact O-N 2.99Å; D404-F406 PolarHBondContact O-N 3.07Å; D404-F406 VanDerWaalsContact O-N 3.13Å; F406-I408 HydrophobicContact CB-CD1 4.48Å; F406-I408 PolarHBondContact O-N 3.26Å
407	N	97.3	Very high	98.4	Very high	76 Å²	76	21.3 Å²	21.3	41%	0.406	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	25.6	173.6	-50.1	-61.8	0	0	0	115.1	N304 C403 D404 P409	N304-N407 PolarHBondContact O-ND2 3.43Å; C403-N407 PolarHBondContact O-N 3.01Å; D404-N407 PolarHBondContact O-N 3.45Å; N407-P409 WeakPolarHBondContact O-CD 3.29Å
408	I	98.6	Very high	98.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.			trans	-90.5	120	-179	-58.7	176.6	0	0	0	109.4	A308 F366 T373 F402 C403 F406	A308-I408 HydrophobicContact CB-CG1 4.44Å; F366-I408 HydrophobicContact CD1-CD1 4.31Å; F366-I408 HydrophobicContact CE1-CD1 3.71Å; T373-I408 HydrophobicContact CG2-CD1 4.28Å; T373-I408 HydrophobicContact CG2-CG2 3.94Å; F402-I408 HydrophobicContact CE1-CD1 4.05Å; C403-I408 HydrophobicContact CB-CB 4.03Å; C403-I408 HydrophobicContact CB-CG2 4.4Å; C403-I408 PolarHBondContact O-N 2.91Å; F406-I408 HydrophobicContact CB-CD1 4.48Å; F406-I408 PolarHBondContact O-N 3.26Å
409	P	98.5	Very high	98.2	Very high	24 Å²	24	19.4 Å²	19.4	16%	0.156	10%	0.104	C	C	.	.			trans	-56.1	145.3	172.9	-27.2	36.6	0	0	0	113.1	V374 G375 N407 P447 L541	V374-P409 HydrophobicContact CG1-CB 4.39Å; G375-P409 PolarHBondContact N-O 3.13Å; N407-P409 WeakPolarHBondContact O-CD 3.29Å; P409-P447 WeakPolarHBondContact CA-O 3.48Å; P409-P447 HydrophobicContact CB-CB 4.12Å; P409-P447 HydrophobicContact CB-CG 4.45Å; P409-P447 HydrophobicContact CG-CB 4.48Å; P409-P447 HydrophobicContact CG-CG 4.3Å; P409-L541 HydrophobicContact CB-CD2 3.56Å; P409-L541 HydrophobicContact CG-CD2 4.06Å
410	I	98.8	Very high	98	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	126.8	-177.3	-52.3	177	0	0	0	110.4	G375 V377 V400 C403 Y441 V446 P447 K448 I449	G375-I410 CarbonylContact O-C 3.45Å; G375-I410 WeakPolarHBondContact O-CA 3.23Å; V377-I410 HydrophobicContact CG2-CG2 4.33Å; V400-I410 HydrophobicContact CB-CD1 4.3Å; V400-I410 HydrophobicContact CG1-CD1 3.8Å; V400-I410 HydrophobicContact CG2-CD1 4.42Å; C403-I410 HydrophobicContact CB-CD1 3.86Å; C403-I410 HydrophobicContact CB-CG1 3.79Å; I410-Y441 HydrophobicContact CG2-CE1 4.09Å; I410-V446 HydrophobicContact CD1-CG2 3.89Å; I410-V446 HydrophobicContact CG1-CG2 3.95Å; I410-P447 PolarHBondContact N-O 3.43Å; I410-K448 WeakPolarHBondContact O-CA 3.42Å; I410-I449 PolarHBondContact O-N 2.98Å
411	I	98.9	Very high	97.6	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	125.9	173.3	-56.5	164.4	0	0	0	108.5	M369 V374 G375 I376 V377 F413 I449 I537	M369-I411 HydrophobicContact CG-CD1 3.9Å; V374-I411 HydrophobicContact CB-CD1 3.88Å; V374-I411 HydrophobicContact CB-CG1 4.48Å; V374-I411 HydrophobicContact CG1-CD1 3.99Å; V374-I411 HydrophobicContact CG2-CD1 3.81Å; G375-I411 PolarHBondContact O-N 2.85Å; I376-I411 WeakPolarHBondContact CA-O 3.43Å; V377-I411 PolarHBondContact N-O 3.22Å; I411-F413 HydrophobicContact CB-CE2 4.49Å; I411-F413 HydrophobicContact CG2-CD2 4.37Å; I411-F413 HydrophobicContact CG2-CE1 4.49Å; I411-F413 HydrophobicContact CG2-CE2 3.49Å; I411-F413 VanDerWaalsContact CG2-CE2 3.49Å; I411-F413 HydrophobicContact CG2-CZ 3.52Å; I411-I449 CarbonylContact C-O 3.57Å; I411-I449 WeakPolarHBondContact CA-O 3.38Å; I411-I537 HydrophobicContact CD1-CG2 3.68Å; I411-I537 HydrophobicContact CG1-CG2 4.17Å; I411-I537 HydrophobicContact CG2-CD1 4.05Å
412	T	98.9	Very high	97.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.2	-174.8	-49.7	0	0	0	0	111.5	V377 V414 Y441 I449 T450 V451 M464 S465	V377-T412 CarbonylContact O-C 3.54Å; V377-T412 VanDerWaalsContact O-CA 3.27Å; V377-T412 WeakPolarHBondContact O-CA 3.47Å; T412-V414 HydrophobicContact CG2-CG2 4.09Å; T412-Y441 PolarHBondContact OG1-OH 3.36Å; T412-I449 PolarHBondContact N-O 3.42Å; T412-T450 HydrophobicContact CG2-CG2 4.47Å; T412-T450 CarbonylContact O-C 3.27Å; T412-T450 WeakPolarHBondContact O-CA 3.38Å; T412-V451 PolarHBondContact O-N 3.04Å; T412-M464 HydrophobicContact CG2-CB 4.5Å; T412-M464 HydrophobicContact CG2-CE 3.7Å; T412-S465 WeakPolarHBondContact OG1-CB 3.27Å
413	F	98.8	Very high	97.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.1	174.3	-66.6	-75.2	0	0	0	111.6	M338 I341 I342 I345 I376 V377 G378 N379 I411 V451 T453 T533 I537	M338-F413 HydrophobicContact CE-CB 4.01Å; M338-F413 HydrophobicContact CG-CB 4.34Å; M338-F413 HydrophobicContact SD-CB 3.52Å; M338-F413 VanDerWaalsContact SD-CB 3.52Å; M338-F413 HydrophobicContact SD-CG 4.09Å; I341-F413 HydrophobicContact CG2-CD1 4.36Å; I341-F413 HydrophobicContact CG2-CE1 4.34Å; I342-F413 HydrophobicContact CG1-CD2 4.22Å; I342-F413 HydrophobicContact CG1-CE2 4.41Å; I345-F413 HydrophobicContact CD1-CE1 3.98Å; I345-F413 HydrophobicContact CD1-CE2 3.8Å; I345-F413 HydrophobicContact CD1-CZ 3.17Å; I376-F413 HydrophobicContact CG2-CD2 3.95Å; I376-F413 HydrophobicContact CG2-CE2 4.04Å; V377-F413 PolarHBondContact O-N 3.17Å; G378-F413 WeakPolarHBondContact CA-O 3.33Å; N379-F413 PolarHBondContact N-O 3.37Å; N379-F413 PolarHBondContact OD1-O 2.91Å; I411-F413 HydrophobicContact CB-CE2 4.49Å; I411-F413 HydrophobicContact CG2-CD2 4.37Å; I411-F413 HydrophobicContact CG2-CE1 4.49Å; I411-F413 HydrophobicContact CG2-CE2 3.49Å; I411-F413 VanDerWaalsContact CG2-CE2 3.49Å; I411-F413 HydrophobicContact CG2-CZ 3.52Å; F413-V451 WeakPolarHBondContact CA-O 3.32Å; F413-V451 HydrophobicContact CD1-CB 3.85Å; F413-V451 HydrophobicContact CD1-CG1 4.36Å; F413-V451 HydrophobicContact CD1-CG2 4.48Å; F413-V451 HydrophobicContact CE1-CB 3.74Å; F413-V451 HydrophobicContact CE1-CG1 4.24Å; F413-V451 HydrophobicContact CE1-CG2 3.9Å; F413-T453 HydrophobicContact CD1-CG2 4.17Å; F413-T533 HydrophobicContact CE1-CG2 4.4Å; F413-I537 HydrophobicContact CZ-CD1 4.18Å
414	V	98.8	Very high	97.2	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	112.3	-168.9	-167	0	0	0	0	112	T412 V416 T450 V451 I452 T453 R454 A456 M464	T412-V414 HydrophobicContact CG2-CG2 4.09Å; V414-V416 HydrophobicContact CG1-CG1 3.75Å; V414-T450 HydrophobicContact CG2-CG2 3.62Å; V414-V451 PolarHBondContact N-O 3.04Å; V414-I452 HydrophobicContact CB-CB 4.44Å; V414-I452 HydrophobicContact CB-CG1 4.16Å; V414-I452 HydrophobicContact CB-CG2 4.42Å; V414-I452 HydrophobicContact CG2-CG1 4.43Å; V414-T453 PolarHBondContact O-N 2.8Å; V414-T453 PolarHBondContact O-OG1 2.98Å; V414-R454 PolarHBondContact O-N 2.89Å; V414-A456 HydrophobicContact CG1-CB 3.92Å; V414-M464 HydrophobicContact CG1-CB 4Å; V414-M464 HydrophobicContact CG1-CG 4.44Å; V414-M464 HydrophobicContact CG2-CB 3.89Å
415	D	98	Very high	97.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	77.2	162.6	-172.5	13.7	0	0	0	108.2	Y336 M338 N379 P381 R454 K455	Y336-D415 WeakPolarHBondContact CE1-OD2 3.37Å; Y336-D415 VanDerWaalsContact OH-CB 3.29Å; Y336-D415 WeakPolarHBondContact OH-CB 3.36Å; Y336-D415 PolarHBondContact OH-OD2 3.29Å; Y336-D415 VanDerWaalsContact OH-OD2 3.04Å; M338-D415 HydrophobicContact CE-CB 4.26Å; N379-D415 VanDerWaalsContact CB-O 3.27Å; N379-D415 WeakPolarHBondContact CB-O 3.41Å; N379-D415 PolarHBondContact OD1-N 3.32Å; P381-D415 HydrophobicContact CG-CB 4Å; P381-D415 WeakPolarHBondContact CG-OD2 3.43Å; D415-R454 HydrophobicContact CB-CB 4.44Å; D415-R454 IonicContact OD1-NE 3.18Å; D415-R454 PolarHBondContact OD1-NE 2.88Å; D415-R454 IonicContact OD1-NH2 3.35Å; D415-R454 IonicContact OD2-CZ 3.29Å; D415-R454 VanDerWaalsContact OD2-CZ 3.3Å; D415-R454 IonicContact OD2-NE 3.88Å; D415-R454 PolarHBondContact OD2-NE 3Å; D415-R454 IonicContact OD2-NH2 3.43Å; D415-R454 PolarHBondContact OD2-NH2 3.4Å; D415-K455 CarbonylContact C-O 3.55Å; D415-K455 VanDerWaalsContact CA-O 3.23Å; D415-K455 WeakPolarHBondContact CA-O 3.5Å; D415-K455 VanDerWaalsContact OD1-CB 3.3Å; D415-K455 WeakPolarHBondContact OD1-CB 3.27Å; D415-K455 WeakPolarHBondContact OD1-CG 3.47Å; D415-K455 PolarHBondContact OD1-N 2.97Å
416	V	97.4	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	118.2	-173.9	68.3	0	0	0	0	111.3	L388 V414 G418 K455 Y457 A460 M464	L388-V416 HydrophobicContact CG-CG2 4.15Å; V414-V416 HydrophobicContact CG1-CG1 3.75Å; V416-G418 VanDerWaalsContact C-N 3.32Å; V416-G418 WeakPolarHBondContact CG2-O 3.37Å; V416-K455 PolarHBondContact N-O 3.15Å; V416-K455 CarbonylContact O-C 3.52Å; V416-Y457 PolarHBondContact O-N 3.49Å; V416-A460 HydrophobicContact CB-CB 4.33Å; V416-A460 HydrophobicContact CG1-CB 3.76Å; V416-A460 HydrophobicContact CG2-CB 3.58Å; V416-M464 HydrophobicContact CG1-CG 4.1Å
417	P	95	Very high	97.1	Very high	42 Å²	42	45.3 Å²	45.3	27%	0.273	26%	0.257	S	S	.	.			trans	-83.8	-7.3	177.4	34.8	-36.8	0	0	0	113.2	S385 C387 K455 Y457	S385-P417 WeakPolarHBondContact O-CD 3.38Å; S385-P417 WeakPolarHBondContact O-CG 3.3Å; C387-P417 VanDerWaalsContact SG-CG 3.57Å; P417-K455 HydrophobicContact CB-CD 4.1Å; P417-Y457 HydrophobicContact CB-CD2 4.19Å; P417-Y457 HydrophobicContact CB-CE2 4.49Å; P417-Y457 WeakPolarHBondContact O-CD2 3.29Å
418	G	95.7	Very high	97.1	Very high	14 Å²	14	42.9 Å²	42.9	14%	0.144	25%	0.251	C	S	.	.			trans	145.9	-162.3	-178.8	0	0	0	0	0	113	C387 L388 V416	C387-G418 WeakPolarHBondContact CA-O 3.38Å; L388-G418 PolarHBondContact N-O 3.07Å; L388-G418 VanDerWaalsContact N-O 3.07Å; V416-G418 VanDerWaalsContact C-N 3.32Å; V416-G418 WeakPolarHBondContact CG2-O 3.37Å
419	F	96.6	Very high	97	Very high	69 Å²	69	43.7 Å²	43.7	30%	0.303	26%	0.259	S	S	.	.	B	Isolated β-bridge	trans	-88	151.9	167.5	-76.2	-91.2	0	0	0	110.9	L388 P421 I430 A460 V463	L388-F419 HydrophobicContact CB-CD1 3.56Å; L388-F419 HydrophobicContact CB-CE1 3.52Å; L388-F419 HydrophobicContact CB-CG 4.22Å; L388-F419 HydrophobicContact CB-CZ 4.13Å; L388-F419 HydrophobicContact CD1-CE1 4.06Å; L388-F419 HydrophobicContact CD1-CE2 4.37Å; L388-F419 HydrophobicContact CD1-CZ 3.85Å; L388-F419 HydrophobicContact CG-CE1 4.45Å; L388-F419 CarbonylContact O-C 3.58Å; L388-F419 VanDerWaalsContact O-CA 3.24Å; L388-F419 WeakPolarHBondContact O-CA 3.4Å; L388-F419 WeakPolarHBondContact O-CD1 3.46Å; F419-P421 WeakPolarHBondContact O-CD 3.27Å; F419-I430 HydrophobicContact CD1-CD1 3.93Å; F419-I430 HydrophobicContact CD1-CG1 4.12Å; F419-I430 HydrophobicContact CE1-CD1 4.28Å; F419-A460 HydrophobicContact CD2-CB 4.28Å; F419-A460 HydrophobicContact CE2-CB 4.2Å; F419-V463 HydrophobicContact CE2-CG2 4.44Å; F419-V463 HydrophobicContact CZ-CG2 4.18Å
420	L	95	Very high	97	Very high	61 Å²	61	43.2 Å²	43.2	32%	0.319	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-67.3	118.8	175.4	-175.1	70.7	0	0	0	110	C387 L388 D389 Q425	C387-L420 HydrophobicContact CB-CB 4.28Å; L388-L420 PolarHBondContact O-N 2.89Å; D389-L420 HydrophobicContact CB-CB 4.07Å; D389-L420 HydrophobicContact CB-CD2 4.18Å; L420-Q425 HydrophobicContact CD2-CG 4.35Å
421	P	91.4	Very high	97	Very high	114 Å²	114	49.6 Å²	49.6	74%	0.74	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-78.9	150.3	179.2	32.2	-35.1	0	0	0	111.9	F419	F419-P421 WeakPolarHBondContact O-CD 3.27Å
422	G	94.3	Very high	96.9	Very high	39 Å²	39	55.1 Å²	55.1	40%	0.402	31%	0.308	S	S	.	.	S	Bend	trans	149.5	151.9	168	0	0	0	0	0	113.6	A424 Q425 E426	G422-A424 PolarHBondContact O-N 3.09Å; G422-Q425 WeakPolarHBondContact O-CB 3.11Å; G422-Q425 PolarHBondContact O-N 3.01Å; G422-E426 PolarHBondContact O-N 3.49Å
423	T	96.6	Very high	96.9	Very high	95 Å²	95	56.8 Å²	56.8	58%	0.583	32%	0.316	S	S	*	.	H	α-helix	trans	-57.8	-33.1	179.9	48.7	0	0	0	0	113	Q425 E426 Y427	T423-Q425 VanDerWaalsContact C-N 3.32Å; T423-Q425 PolarHBondContact O-N 3.37Å; T423-E426 PolarHBondContact O-N 3.27Å; T423-Y427 WeakPolarHBondContact O-CB 3.46Å; T423-Y427 WeakPolarHBondContact O-CD2 3.3Å; T423-Y427 PolarHBondContact O-N 2.94Å
424	A	96.8	Very high	96.8	Very high	76 Å²	76	57 Å²	57	63%	0.628	32%	0.318	S	S	*	.	H	α-helix	trans	-62.7	-34.8	174.7	0	0	0	0	0	113.3	G422 G428	G422-A424 PolarHBondContact O-N 3.09Å; A424-G428 PolarHBondContact O-N 3.29Å
425	Q	97.7	Very high	96.8	Very high	31 Å²	31	58.3 Å²	58.3	15%	0.145	33%	0.329	C	S	.	.	H	α-helix	trans	-73.7	-44.5	175.7	-66.1	-66.8	-41	0	0	110.5	I390 L420 G422 T423 G428 G429 I430	I390-Q425 VanDerWaalsContact N-OE1 3.11Å; L420-Q425 HydrophobicContact CD2-CG 4.35Å; G422-Q425 WeakPolarHBondContact O-CB 3.11Å; G422-Q425 PolarHBondContact O-N 3.01Å; T423-Q425 VanDerWaalsContact C-N 3.32Å; T423-Q425 PolarHBondContact O-N 3.37Å; Q425-G428 PolarHBondContact O-N 2.76Å; Q425-G429 PolarHBondContact O-N 2.94Å; Q425-G429 VanDerWaalsContact O-N 3.13Å; Q425-I430 HydrophobicContact CB-CB 4.11Å; Q425-I430 HydrophobicContact CB-CG2 4.22Å; Q425-I430 WeakPolarHBondContact O-CB 3.39Å; Q425-I430 WeakPolarHBondContact O-CG2 3.42Å; Q425-I430 PolarHBondContact O-N 2.95Å
426	E	97.6	Very high	96.9	Very high	107 Å²	107	59.3 Å²	59.3	50%	0.5	33%	0.334	S	S	.	.	H	α-helix	trans	-62.1	-49.5	177.1	-64.3	-57	155.6	0	0	112.3	G422 T423 G428 G429	G422-E426 PolarHBondContact O-N 3.49Å; T423-E426 PolarHBondContact O-N 3.27Å; E426-G428 VanDerWaalsContact C-N 3.35Å; E426-G428 PolarHBondContact O-N 3.06Å; E426-G429 WeakPolarHBondContact O-CA 3.18Å; E426-G429 PolarHBondContact O-N 3.03Å
427	Y	97.8	Very high	96.9	Very high	200 Å²	200	59.3 Å²	59.3	78%	0.784	33%	0.334	S	S	*	.	H	α-helix	trans	-70.7	-28.9	179.4	-59.1	-15.3	0	0	0	112.7	T423 G429	T423-Y427 WeakPolarHBondContact O-CB 3.46Å; T423-Y427 WeakPolarHBondContact O-CD2 3.3Å; T423-Y427 PolarHBondContact O-N 2.94Å; Y427-G429 PolarHBondContact O-N 3.34Å
428	G	97.6	Very high	97.1	Very high	26 Å²	26	60.5 Å²	60.5	27%	0.268	34%	0.337	S	S	.	.	H	α-helix	trans	-68.5	-14.2	168	0	0	0	0	0	113.7	A424 Q425 E426 H433	A424-G428 PolarHBondContact O-N 3.29Å; Q425-G428 PolarHBondContact O-N 2.76Å; E426-G428 VanDerWaalsContact C-N 3.35Å; E426-G428 PolarHBondContact O-N 3.06Å; G428-H433 PolarHBondContact O-CD2 2.73Å; G428-H433 PolarHBondContact O-NE2 3.23Å
429	G	97.8	Very high	97.2	Very high	17 Å²	17	62.8 Å²	62.8	18%	0.175	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	45.3	179.3	0	0	0	0	0	113.3	Q425 E426 Y427 I431 R432 H433	Q425-G429 PolarHBondContact O-N 2.94Å; Q425-G429 VanDerWaalsContact O-N 3.13Å; E426-G429 WeakPolarHBondContact O-CA 3.18Å; E426-G429 PolarHBondContact O-N 3.03Å; Y427-G429 PolarHBondContact O-N 3.34Å; G429-I431 PolarHBondContact O-N 3.13Å; G429-I431 VanDerWaalsContact O-N 3.07Å; G429-R432 WeakPolarHBondContact O-CG 3.4Å; G429-R432 PolarHBondContact O-N 2.9Å; G429-H433 PolarHBondContact O-CD2 3.41Å; G429-H433 VanDerWaalsContact O-CD2 3.26Å; G429-H433 PolarHBondContact O-N 3.5Å
430	I	97.9	Very high	97.3	Very high	13 Å²	13	59.5 Å²	59.5	7%	0.067	33%	0.328	C	S	.	.	H	α-helix	trans	-49	-34.9	176.7	-176.6	59.8	0	0	0	112.9	D389 I390 F419 Q425 R432 H433 G434	D389-I430 VanDerWaalsContact C-CD1 3.49Å; I390-I430 HydrophobicContact CG1-CB 4.15Å; I390-I430 HydrophobicContact CG1-CD1 3.9Å; F419-I430 HydrophobicContact CD1-CD1 3.93Å; F419-I430 HydrophobicContact CD1-CG1 4.12Å; F419-I430 HydrophobicContact CE1-CD1 4.28Å; Q425-I430 HydrophobicContact CB-CB 4.11Å; Q425-I430 HydrophobicContact CB-CG2 4.22Å; Q425-I430 WeakPolarHBondContact O-CB 3.39Å; Q425-I430 WeakPolarHBondContact O-CG2 3.42Å; Q425-I430 PolarHBondContact O-N 2.95Å; I430-R432 PolarHBondContact O-N 3.11Å; I430-H433 PolarHBondContact O-N 3.39Å; I430-G434 PolarHBondContact O-N 3.09Å
431	I	97.9	Very high	97.5	Very high	135 Å²	135	56.6 Å²	56.6	69%	0.692	31%	0.313	S	S	*	.	H	α-helix	trans	-53.6	-49.4	176.2	-58.7	174.3	0	0	0	111.6	G429 A435	G429-I431 PolarHBondContact O-N 3.13Å; G429-I431 VanDerWaalsContact O-N 3.07Å; I431-A435 WeakPolarHBondContact O-CB 3.45Å; I431-A435 PolarHBondContact O-N 2.93Å
432	R	97.9	Very high	97.9	Very high	116 Å²	116	52.9 Å²	52.9	44%	0.438	29%	0.291	S	S	.	.	H	α-helix	trans	-75	-34.1	179	58.8	163.3	-179.3	147.6	-3	112.6	G429 I430 P560 L561	G429-R432 WeakPolarHBondContact O-CG 3.4Å; G429-R432 PolarHBondContact O-N 2.9Å; I430-R432 PolarHBondContact O-N 3.11Å; R432-P560 HydrophobicContact CB-CB 4.16Å; R432-P560 WeakPolarHBondContact O-CB 3.24Å; R432-L561 PolarHBondContact NH1-O 2.73Å
433	H	98.3	Very high	98.1	Very high	35 Å²	35	52.4 Å²	52.4	16%	0.162	28%	0.279	C	S	.	.	H	α-helix	trans	-77.4	-43.1	-177.1	-69.2	-66.2	0	0	0	112.4	I390 S393 V394 G428 G429 I430 A435 K436 L561	I390-H433 HydrophobicContact CB-CB 4.25Å; I390-H433 HydrophobicContact CG1-CB 4.09Å; I390-H433 HydrophobicContact CG2-CB 4.06Å; S393-H433 VanDerWaalsContact CB-O 3.24Å; S393-H433 WeakPolarHBondContact CB-O 3.33Å; V394-H433 HydrophobicContact CG2-CB 4.49Å; G428-H433 PolarHBondContact O-CD2 2.73Å; G428-H433 PolarHBondContact O-NE2 3.23Å; G429-H433 PolarHBondContact O-CD2 3.41Å; G429-H433 VanDerWaalsContact O-CD2 3.26Å; G429-H433 PolarHBondContact O-N 3.5Å; I430-H433 PolarHBondContact O-N 3.39Å; H433-A435 VanDerWaalsContact C-N 3.31Å; H433-A435 PolarHBondContact O-N 2.92Å; H433-K436 PolarHBondContact CE1-NZ 3.1Å; H433-K436 VanDerWaalsContact CE1-NZ 3.25Å; H433-K436 PolarHBondContact ND1-NZ 3.07Å; H433-K436 VanDerWaalsContact O-CB 3.27Å; H433-K436 WeakPolarHBondContact O-CB 3.32Å; H433-K436 PolarHBondContact O-N 3.34Å; H433-K436 VanDerWaalsContact O-N 3.09Å; H433-L561 PolarHBondContact CE1-OXT 3.03Å
434	G	97.6	Very high	98.2	Very high	4 Å²	4	47.9 Å²	47.9	4%	0.041	25%	0.251	C	S	.	.	H	α-helix	trans	-60.3	-39.4	171	0	0	0	0	0	112.5	I430 K436 L437 L438	I430-G434 PolarHBondContact O-N 3.09Å; G434-K436 PolarHBondContact O-N 3.14Å; G434-K436 VanDerWaalsContact O-N 3.14Å; G434-L437 PolarHBondContact O-N 2.97Å; G434-L437 VanDerWaalsContact O-N 3.16Å; G434-L438 PolarHBondContact O-N 3.39Å
435	A	98.4	Very high	98.2	Very high	30 Å²	30	46 Å²	46	25%	0.248	23%	0.232	C	C	.	.	H	α-helix	trans	-61.5	-19.2	174.2	0	0	0	0	0	114	I431 H433 Y439 P560	I431-A435 WeakPolarHBondContact O-CB 3.45Å; I431-A435 PolarHBondContact O-N 2.93Å; H433-A435 VanDerWaalsContact C-N 3.31Å; H433-A435 PolarHBondContact O-N 2.92Å; A435-Y439 VanDerWaalsContact O-CB 3.26Å; A435-Y439 WeakPolarHBondContact O-CB 3.13Å; A435-Y439 PolarHBondContact O-N 2.65Å; A435-P560 HydrophobicContact CB-CG 4.22Å
436	K	98.8	Very high	98.3	Very high	22 Å²	22	45 Å²	45	10%	0.096	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-41.4	174	-62.3	174	177.8	173.9	0	111.9	V394 A397 H433 G434 Y439 A440 P560 L561	V394-K436 HydrophobicContact CG2-CD 3.98Å; A397-K436 HydrophobicContact CB-CB 3.63Å; A397-K436 WeakPolarHBondContact CB-O 3.2Å; H433-K436 PolarHBondContact CE1-NZ 3.1Å; H433-K436 VanDerWaalsContact CE1-NZ 3.25Å; H433-K436 PolarHBondContact ND1-NZ 3.07Å; H433-K436 VanDerWaalsContact O-CB 3.27Å; H433-K436 WeakPolarHBondContact O-CB 3.32Å; H433-K436 PolarHBondContact O-N 3.34Å; H433-K436 VanDerWaalsContact O-N 3.09Å; G434-K436 PolarHBondContact O-N 3.14Å; G434-K436 VanDerWaalsContact O-N 3.14Å; K436-Y439 PolarHBondContact O-N 2.81Å; K436-A440 WeakPolarHBondContact O-CB 3.27Å; K436-A440 PolarHBondContact O-N 3.43Å; K436-P560 WeakPolarHBondContact CE-O 3.37Å; K436-P560 HydrophobicContact CG-CB 4.43Å; K436-P560 WeakPolarHBondContact CG-O 3.49Å; K436-L561 WeakPolarHBondContact CE-OXT 3.39Å; K436-L561 PolarHBondContact NZ-OXT 3.21Å
437	L	98.7	Very high	98.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-71.4	-41.1	179.4	-175.2	56.8	0	0	0	110.8	I362 L388 A397 V400 G434 Y439 A440 Y441 V463 M464	I362-L437 HydrophobicContact CD1-CD2 4.39Å; L388-L437 HydrophobicContact CD1-CD2 4.32Å; L388-L437 HydrophobicContact CD2-CD2 4.03Å; A397-L437 HydrophobicContact CB-CB 4.48Å; V400-L437 HydrophobicContact CG2-CD1 4.29Å; G434-L437 PolarHBondContact O-N 2.97Å; G434-L437 VanDerWaalsContact O-N 3.16Å; L437-Y439 VanDerWaalsContact C-N 3.33Å; L437-Y439 PolarHBondContact O-N 2.83Å; L437-A440 PolarHBondContact O-N 2.78Å; L437-Y441 HydrophobicContact CD1-CD2 3.86Å; L437-Y441 HydrophobicContact CD1-CE2 3.54Å; L437-Y441 HydrophobicContact CG-CD2 4.11Å; L437-Y441 HydrophobicContact CG-CE2 3.98Å; L437-Y441 WeakPolarHBondContact O-CD2 3.12Å; L437-Y441 PolarHBondContact O-N 2.98Å; L437-Y441 VanDerWaalsContact O-N 3.11Å; L437-V463 HydrophobicContact CB-CG1 3.9Å; L437-V463 HydrophobicContact CD2-CG1 3.71Å; L437-V463 HydrophobicContact CG-CG1 3.64Å; L437-M464 HydrophobicContact CD2-SD 4.05Å
438	L	98.5	Very high	98.4	Very high	66 Å²	66	31 Å²	31	35%	0.346	17%	0.171	S	C	.	.	H	α-helix	trans	-53.1	-50.4	169.3	-170.4	77.5	0	0	0	111.2	G434 A442 V463 L469	G434-L438 PolarHBondContact O-N 3.39Å; L438-A442 VanDerWaalsContact O-CB 3.32Å; L438-A442 WeakPolarHBondContact O-CB 3.34Å; L438-A442 PolarHBondContact O-N 3.28Å; L438-V463 HydrophobicContact CB-CG2 4.08Å; L438-V463 HydrophobicContact CD1-CB 4.46Å; L438-V463 HydrophobicContact CD1-CG2 3.65Å; L438-V463 HydrophobicContact CG-CG2 4.45Å; L438-L469 HydrophobicContact CD1-CD1 3.9Å; L438-L469 HydrophobicContact CD1-CD2 4.14Å
439	Y	98.8	Very high	98.4	Very high	62 Å²	62	29.8 Å²	29.8	24%	0.243	16%	0.158	C	C	.	.	H	α-helix	trans	-62.7	-45.9	-179.4	-164.4	-80.6	0	0	0	111.7	A435 K436 L437 Y441 A442 E443 A557 I559	A435-Y439 VanDerWaalsContact O-CB 3.26Å; A435-Y439 WeakPolarHBondContact O-CB 3.13Å; A435-Y439 PolarHBondContact O-N 2.65Å; K436-Y439 PolarHBondContact O-N 2.81Å; L437-Y439 VanDerWaalsContact C-N 3.33Å; L437-Y439 PolarHBondContact O-N 2.83Å; Y439-Y441 PolarHBondContact O-N 3.01Å; Y439-A442 PolarHBondContact O-N 3.27Å; Y439-E443 HydrophobicContact CD1-CB 4.19Å; Y439-E443 HydrophobicContact CE1-CB 4.09Å; Y439-E443 HydrophobicContact CE1-CG 4.45Å; Y439-E443 VanDerWaalsContact O-CB 3.23Å; Y439-E443 WeakPolarHBondContact O-CB 3.44Å; Y439-E443 PolarHBondContact O-N 3.35Å; Y439-A557 HydrophobicContact CE1-CB 3.75Å; Y439-A557 VanDerWaalsContact OH-CB 3.24Å; Y439-A557 WeakPolarHBondContact OH-CB 3.21Å; Y439-I559 HydrophobicContact CD1-CB 3.98Å; Y439-I559 HydrophobicContact CD1-CD1 3.71Å; Y439-I559 HydrophobicContact CD1-CG1 3.74Å; Y439-I559 HydrophobicContact CD2-CG1 4.36Å; Y439-I559 HydrophobicContact CE1-CB 4.08Å; Y439-I559 HydrophobicContact CE1-CG1 4.37Å; Y439-I559 HydrophobicContact CG-CB 4.24Å; Y439-I559 HydrophobicContact CG-CD1 4.05Å; Y439-I559 HydrophobicContact CG-CG1 3.75Å
440	A	98.8	Very high	98.5	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.008	15%	0.15	C	C	.	.	H	α-helix	trans	-58.2	-47.5	-179.3	0	0	0	0	0	111.6	A397 V400 R401 K436 L437 A444	A397-A440 HydrophobicContact CB-CB 4.22Å; V400-A440 HydrophobicContact CB-CB 3.87Å; V400-A440 HydrophobicContact CG1-CB 3.61Å; R401-A440 HydrophobicContact CG-CB 3.68Å; K436-A440 WeakPolarHBondContact O-CB 3.27Å; K436-A440 PolarHBondContact O-N 3.43Å; L437-A440 PolarHBondContact O-N 2.78Å; A440-A444 VanDerWaalsContact O-CB 3.29Å; A440-A444 WeakPolarHBondContact O-CB 3.38Å; A440-A444 PolarHBondContact O-N 2.99Å
441	Y	98.8	Very high	98.5	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-69	-36.8	176.3	-78.5	-60.8	0	0	0	113.5	V377 V400 I410 T412 L437 Y439 K448 V463	V377-Y441 WeakPolarHBondContact CB-OH 3.36Å; V377-Y441 WeakPolarHBondContact CG1-OH 3.45Å; V400-Y441 HydrophobicContact CG1-CD1 3.98Å; V400-Y441 HydrophobicContact CG1-CE1 4.19Å; V400-Y441 HydrophobicContact CG1-CG 4.36Å; V400-Y441 HydrophobicContact CG2-CD1 4.3Å; V400-Y441 HydrophobicContact CG2-CE1 3.74Å; V400-Y441 HydrophobicContact CG2-CE2 4.16Å; I410-Y441 HydrophobicContact CG2-CE1 4.09Å; T412-Y441 PolarHBondContact OG1-OH 3.36Å; L437-Y441 HydrophobicContact CD1-CD2 3.86Å; L437-Y441 HydrophobicContact CD1-CE2 3.54Å; L437-Y441 HydrophobicContact CG-CD2 4.11Å; L437-Y441 HydrophobicContact CG-CE2 3.98Å; L437-Y441 WeakPolarHBondContact O-CD2 3.12Å; L437-Y441 PolarHBondContact O-N 2.98Å; L437-Y441 VanDerWaalsContact O-N 3.11Å; Y439-Y441 PolarHBondContact O-N 3.01Å; Y441-K448 HydrophobicContact CD1-CD 4.29Å; Y441-K448 PolarHBondContact O-NZ 2.85Å; Y441-V463 WeakPolarHBondContact CD2-O 3.45Å
442	A	98.5	Very high	98.6	Very high	35 Å²	35	22.2 Å²	22.2	29%	0.289	12%	0.115	S	C	.	.	H	α-helix	trans	-69.9	-37.4	178.7	0	0	0	0	0	113	L438 Y439 L469 R470	L438-A442 VanDerWaalsContact O-CB 3.32Å; L438-A442 WeakPolarHBondContact O-CB 3.34Å; L438-A442 PolarHBondContact O-N 3.28Å; Y439-A442 PolarHBondContact O-N 3.27Å; A442-L469 HydrophobicContact CB-CD2 4.28Å; A442-R470 PolarHBondContact O-NH1 3.35Å
443	E	98.6	Very high	98.6	Very high	30 Å²	30	16.7 Å²	16.7	14%	0.14	9%	0.094	C	C	.	.	H	α-helix	trans	-66.7	-43.3	174.3	179.1	163.6	-113.4	0	0	111.1	R401 Y439 T445 N551 A557	R401-E443 IonicContact CZ-OE2 3.47Å; R401-E443 VanDerWaalsContact CZ-OE2 3.22Å; R401-E443 IonicContact NE-OE2 3.32Å; R401-E443 PolarHBondContact NE-OE2 3.24Å; R401-E443 IonicContact NH2-OE1 3.91Å; R401-E443 IonicContact NH2-OE2 2.73Å; R401-E443 PolarHBondContact NH2-OE2 3.32Å; Y439-E443 HydrophobicContact CD1-CB 4.19Å; Y439-E443 HydrophobicContact CE1-CB 4.09Å; Y439-E443 HydrophobicContact CE1-CG 4.45Å; Y439-E443 VanDerWaalsContact O-CB 3.23Å; Y439-E443 WeakPolarHBondContact O-CB 3.44Å; Y439-E443 PolarHBondContact O-N 3.35Å; E443-T445 PolarHBondContact O-N 3.14Å; E443-N551 PolarHBondContact O-ND2 3.31Å; E443-A557 WeakPolarHBondContact OE1-CB 3.34Å
444	A	98.6	Very high	98.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.088	C	C	.	.			trans	-57.7	129.7	-169.9	0	0	0	0	0	114.7	V400 D404 A440 V446 K448	V400-A444 HydrophobicContact CG1-CB 4.45Å; D404-A444 HydrophobicContact CB-CB 3.98Å; D404-A444 VanDerWaalsContact CG-CA 3.46Å; D404-A444 VanDerWaalsContact OD1-CA 3.29Å; D404-A444 WeakPolarHBondContact OD1-CA 3.43Å; A440-A444 VanDerWaalsContact O-CB 3.29Å; A440-A444 WeakPolarHBondContact O-CB 3.38Å; A440-A444 PolarHBondContact O-N 2.99Å; A444-V446 HydrophobicContact CB-CG2 4.45Å; A444-K448 HydrophobicContact CB-CD 4.07Å; A444-K448 PolarHBondContact O-NZ 2.84Å
445	T	98.4	Very high	98.4	Very high	37 Å²	37	16.5 Å²	16.5	23%	0.227	9%	0.091	C	C	.	.			trans	-107.3	-17.7	-178.9	63.9	0	0	0	0	114	D404 E443 K547 Q549 N551	D404-T445 PolarHBondContact OD1-N 3.08Å; E443-T445 PolarHBondContact O-N 3.14Å; T445-K547 WeakPolarHBondContact O-CD 3.44Å; T445-K547 WeakPolarHBondContact O-CE 3.32Å; T445-K547 PolarHBondContact O-NZ 3.36Å; T445-Q549 HydrophobicContact CG2-CB 4.43Å; T445-Q549 HydrophobicContact CG2-CG 4.3Å; T445-N551 WeakPolarHBondContact CG2-ND2 3.4Å
446	V	98.4	Very high	98.3	Very high	8 Å²	8	15 Å²	15	5%	0.048	8%	0.08	C	C	.	.	S	Bend	trans	-54.4	162.7	169	-69.4	0	0	0	0	112.8	D404 I410 A444 K448 K547	D404-V446 HydrophobicContact CB-CG2 4.21Å; D404-V446 WeakPolarHBondContact OD1-CG2 3.38Å; D404-V446 PolarHBondContact OD1-N 3.3Å; I410-V446 HydrophobicContact CD1-CG2 3.89Å; I410-V446 HydrophobicContact CG1-CG2 3.95Å; A444-V446 HydrophobicContact CB-CG2 4.45Å; V446-K448 PolarHBondContact O-N 2.62Å; V446-K547 PolarHBondContact O-NZ 2.83Å
447	P	98.6	Very high	98.1	Very high	15 Å²	15	15.2 Å²	15.2	10%	0.097	8%	0.08	C	C	.	.			trans	-56.7	132.7	171.2	-26.4	36.9	0	0	0	112	P409 I410 D472 L544 K547	P409-P447 WeakPolarHBondContact CA-O 3.48Å; P409-P447 HydrophobicContact CB-CB 4.12Å; P409-P447 HydrophobicContact CB-CG 4.45Å; P409-P447 HydrophobicContact CG-CB 4.48Å; P409-P447 HydrophobicContact CG-CG 4.3Å; I410-P447 PolarHBondContact N-O 3.43Å; P447-D472 WeakPolarHBondContact CA-OD2 3.5Å; P447-L544 HydrophobicContact CB-CB 3.79Å; P447-L544 HydrophobicContact CB-CD1 4.08Å; P447-L544 HydrophobicContact CG-CB 3.91Å; P447-K547 HydrophobicContact CG-CB 4.46Å; P447-K547 HydrophobicContact CG-CD 4.3Å
448	K	98.7	Very high	97.9	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	111.8	-179.9	-67.4	-179.8	-55.6	-158.4	0	109.7	I410 Y441 A444 V446 L469 R470 D472 V473	I410-K448 WeakPolarHBondContact O-CA 3.42Å; Y441-K448 HydrophobicContact CD1-CD 4.29Å; Y441-K448 PolarHBondContact O-NZ 2.85Å; A444-K448 HydrophobicContact CB-CD 4.07Å; A444-K448 PolarHBondContact O-NZ 2.84Å; V446-K448 PolarHBondContact O-N 2.62Å; K448-L469 PolarHBondContact NZ-O 3.14Å; K448-R470 WeakPolarHBondContact CE-O 3.16Å; K448-R470 PolarHBondContact NZ-O 3.09Å; K448-D472 PolarHBondContact N-OD2 2.56Å; K448-D472 PolarHBondContact O-N 2.92Å; K448-V473 PolarHBondContact O-N 2.79Å
449	I	98.9	Very high	97.7	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	133.3	176	-58.4	165.9	0	0	0	108.2	I410 I411 T412 V473 Y475 I537 D540 L541 L544	I410-I449 PolarHBondContact O-N 2.98Å; I411-I449 CarbonylContact C-O 3.57Å; I411-I449 WeakPolarHBondContact CA-O 3.38Å; T412-I449 PolarHBondContact N-O 3.42Å; I449-V473 CarbonylContact C-O 3.5Å; I449-V473 WeakPolarHBondContact CA-O 3.16Å; I449-V473 HydrophobicContact CG1-CB 4.48Å; I449-V473 HydrophobicContact CG2-CB 4.44Å; I449-Y475 HydrophobicContact CG2-CD2 4.28Å; I449-Y475 HydrophobicContact CG2-CE2 4.33Å; I449-I537 HydrophobicContact CD1-CG2 4.15Å; I449-I537 HydrophobicContact CG2-CG1 4.15Å; I449-D540 HydrophobicContact CD1-CB 3.73Å; I449-D540 HydrophobicContact CG1-CB 4.41Å; I449-L541 HydrophobicContact CD1-CD2 3.85Å; I449-L541 HydrophobicContact CD1-CG 3.8Å; I449-L544 HydrophobicContact CD1-CD1 4.37Å; I449-L544 HydrophobicContact CG1-CD1 4.12Å
450	T	98.9	Very high	97.6	Very high	2 Å²	2	12 Å²	12	1%	0.012	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	139	-178	-52.1	0	0	0	0	110	T412 V414 S465 V473 N474 Y475	T412-T450 HydrophobicContact CG2-CG2 4.47Å; T412-T450 CarbonylContact O-C 3.27Å; T412-T450 WeakPolarHBondContact O-CA 3.38Å; V414-T450 HydrophobicContact CG2-CG2 3.62Å; T450-S465 WeakPolarHBondContact OG1-CB 3.49Å; T450-S465 PolarHBondContact OG1-O 2.75Å; T450-S465 PolarHBondContact OG1-OG 2.79Å; T450-V473 PolarHBondContact N-O 3.06Å; T450-N474 VanDerWaalsContact CB-ND2 3.35Å; T450-N474 WeakPolarHBondContact CB-ND2 3.48Å; T450-N474 PolarHBondContact OG1-ND2 2.81Å; T450-Y475 PolarHBondContact O-N 3.43Å
451	V	98.8	Very high	97.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	109.7	175.9	-174.7	0	0	0	0	108.4	T412 F413 V414 T453 Y475 T533 I537	T412-V451 PolarHBondContact O-N 3.04Å; F413-V451 WeakPolarHBondContact CA-O 3.32Å; F413-V451 HydrophobicContact CD1-CB 3.85Å; F413-V451 HydrophobicContact CD1-CG1 4.36Å; F413-V451 HydrophobicContact CD1-CG2 4.48Å; F413-V451 HydrophobicContact CE1-CB 3.74Å; F413-V451 HydrophobicContact CE1-CG1 4.24Å; F413-V451 HydrophobicContact CE1-CG2 3.9Å; V414-V451 PolarHBondContact N-O 3.04Å; V451-T453 HydrophobicContact CG1-CG2 4.4Å; V451-T453 PolarHBondContact O-N 3.46Å; V451-Y475 WeakPolarHBondContact CA-O 3.42Å; V451-Y475 HydrophobicContact CG2-CD2 4.4Å; V451-T533 HydrophobicContact CG1-CG2 4.33Å; V451-T533 HydrophobicContact CG2-CG2 4.16Å; V451-I537 HydrophobicContact CG2-CD1 4.21Å
452	I	98.6	Very high	97.4	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.015	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	110.2	172.9	-52.2	175.8	0	0	0	107.8	V414 R454 A456 Y461 Y475 A476 W477 A480 V482 V524	V414-I452 HydrophobicContact CB-CB 4.44Å; V414-I452 HydrophobicContact CB-CG1 4.16Å; V414-I452 HydrophobicContact CB-CG2 4.42Å; V414-I452 HydrophobicContact CG2-CG1 4.43Å; I452-R454 WeakPolarHBondContact CG2-O 3.35Å; I452-A456 HydrophobicContact CD1-CB 4.15Å; I452-A456 HydrophobicContact CG2-CB 3.85Å; I452-Y461 HydrophobicContact CD1-CD2 4.4Å; I452-Y461 HydrophobicContact CD1-CE2 4.35Å; I452-Y475 PolarHBondContact N-O 3.25Å; I452-A476 HydrophobicContact CB-CB 4.44Å; I452-W477 PolarHBondContact O-N 3.36Å; I452-A480 HydrophobicContact CB-CB 4.18Å; I452-A480 HydrophobicContact CG2-CB 3.72Å; I452-V482 HydrophobicContact CD1-CG2 3.89Å; I452-V524 HydrophobicContact CD1-CG2 4.31Å
453	T	98.1	Very high	97.4	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	-36.7	-177.8	56.6	0	0	0	0	111.4	Y336 I341 F413 V414 V451 W477 T479	Y336-T453 PolarHBondContact OH-OG1 3.15Å; I341-T453 HydrophobicContact CD1-CG2 3.9Å; F413-T453 HydrophobicContact CD1-CG2 4.17Å; V414-T453 PolarHBondContact O-N 2.8Å; V414-T453 PolarHBondContact O-OG1 2.98Å; V451-T453 HydrophobicContact CG1-CG2 4.4Å; V451-T453 PolarHBondContact O-N 3.46Å; T453-W477 HydrophobicContact CG2-CD2 4.11Å; T453-W477 HydrophobicContact CG2-CE3 4.03Å; T453-W477 HydrophobicContact CG2-CH2 4.09Å; T453-W477 HydrophobicContact CG2-CZ2 4.16Å; T453-W477 HydrophobicContact CG2-CZ3 4.03Å; T453-T479 PolarHBondContact O-OG1 3.37Å
454	R	96.4	Very high	97.4	Very high	7 Å²	7	13.7 Å²	13.7	3%	0.026	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	-100.1	173.9	-168.1	178.9	50.7	-176.7	-4.6	112.1	V328 K334 V414 D415 I452 T479 A480 E481	V328-R454 HydrophobicContact CG1-CB 4.08Å; V328-R454 HydrophobicContact CG1-CG 4.24Å; K334-R454 PolarHBondContact O-NH1 3.39Å; K334-R454 PolarHBondContact O-NH2 3.34Å; V414-R454 PolarHBondContact O-N 2.89Å; D415-R454 HydrophobicContact CB-CB 4.44Å; D415-R454 IonicContact OD1-NE 3.18Å; D415-R454 PolarHBondContact OD1-NE 2.88Å; D415-R454 IonicContact OD1-NH2 3.35Å; D415-R454 IonicContact OD2-CZ 3.29Å; D415-R454 VanDerWaalsContact OD2-CZ 3.3Å; D415-R454 IonicContact OD2-NE 3.88Å; D415-R454 PolarHBondContact OD2-NE 3Å; D415-R454 IonicContact OD2-NH2 3.43Å; D415-R454 PolarHBondContact OD2-NH2 3.4Å; I452-R454 WeakPolarHBondContact CG2-O 3.35Å; R454-T479 WeakPolarHBondContact CA-O 3.02Å; R454-T479 WeakPolarHBondContact CG-O 3.37Å; R454-A480 CarbonylContact O-C 3.57Å; R454-A480 VanDerWaalsContact O-CA 3.23Å; R454-A480 WeakPolarHBondContact O-CA 3.49Å; R454-E481 PolarHBondContact O-N 3.01Å
455	K	95.8	Very high	97.4	Very high	28 Å²	28	13.8 Å²	13.8	12%	0.122	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	137.7	-169.6	-58.8	169.9	-168.9	151.1	0	111.7	S332 D415 V416 P417 Y457	S332-K455 WeakPolarHBondContact O-CE 3.43Å; S332-K455 PolarHBondContact O-NZ 2.97Å; D415-K455 CarbonylContact C-O 3.55Å; D415-K455 VanDerWaalsContact CA-O 3.23Å; D415-K455 WeakPolarHBondContact CA-O 3.5Å; D415-K455 VanDerWaalsContact OD1-CB 3.3Å; D415-K455 WeakPolarHBondContact OD1-CB 3.27Å; D415-K455 WeakPolarHBondContact OD1-CG 3.47Å; D415-K455 PolarHBondContact OD1-N 2.97Å; V416-K455 PolarHBondContact N-O 3.15Å; V416-K455 CarbonylContact O-C 3.52Å; P417-K455 HydrophobicContact CB-CD 4.1Å; K455-Y457 HydrophobicContact CB-CE1 4.32Å; K455-Y457 HydrophobicContact CB-CE2 4.18Å; K455-Y457 HydrophobicContact CD-CE2 4.08Å; K455-Y457 HydrophobicContact CG-CE2 4.11Å
456	A	96.8	Very high	97.3	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	91.3	165.8	0	0	0	0	0	109	V414 I452 Y461 E481 V482 A483	V414-A456 HydrophobicContact CG1-CB 3.92Å; I452-A456 HydrophobicContact CD1-CB 4.15Å; I452-A456 HydrophobicContact CG2-CB 3.85Å; A456-Y461 HydrophobicContact CB-CD2 3.89Å; A456-Y461 HydrophobicContact CB-CG 4.36Å; A456-E481 PolarHBondContact N-O 3.45Å; A456-V482 HydrophobicContact CB-CG2 4.41Å; A456-A483 PolarHBondContact O-N 2.74Å
457	Y	95.1	Very high	97.3	Very high	26 Å²	26	13.9 Å²	13.9	10%	0.102	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	135.5	-172.8	-58.1	-23.7	0	0	0	114.5	V416 P417 K455 A460 Y461 E481 A483	V416-Y457 PolarHBondContact O-N 3.49Å; P417-Y457 HydrophobicContact CB-CD2 4.19Å; P417-Y457 HydrophobicContact CB-CE2 4.49Å; P417-Y457 WeakPolarHBondContact O-CD2 3.29Å; K455-Y457 HydrophobicContact CB-CE1 4.32Å; K455-Y457 HydrophobicContact CB-CE2 4.18Å; K455-Y457 HydrophobicContact CD-CE2 4.08Å; K455-Y457 HydrophobicContact CG-CE2 4.11Å; Y457-A460 PolarHBondContact O-N 2.82Å; Y457-Y461 PolarHBondContact O-N 2.89Å; Y457-E481 HydrophobicContact CE1-CB 3.82Å; Y457-E481 WeakPolarHBondContact CE1-O 3.29Å; Y457-E481 PolarHBondContact OH-OE2 3.07Å; Y457-A483 VanDerWaalsContact CA-O 3.31Å; Y457-A483 WeakPolarHBondContact CA-O 3.49Å; Y457-A483 HydrophobicContact CD1-CB 4.04Å; Y457-A483 HydrophobicContact CE1-CB 4.23Å
458	G	93.7	Very high	97.2	Very high	19 Å²	19	17.6 Å²	17.6	20%	0.196	10%	0.098	C	C	.	.	H	α-helix	trans	54	-144.4	168.5	0	0	0	0	0	113.9	A460 Y461 D462 A483 V484	G458-A460 PolarHBondContact O-N 2.9Å; G458-Y461 WeakPolarHBondContact O-CB 3.49Å; G458-Y461 PolarHBondContact O-N 3.29Å; G458-D462 PolarHBondContact O-N 3.08Å; G458-A483 PolarHBondContact N-O 3.2Å; G458-V484 WeakPolarHBondContact CA-O 3.23Å; G458-V484 PolarHBondContact N-O 3.27Å
459	G	94.4	Very high	97.1	Very high	41 Å²	41	18.8 Å²	18.8	42%	0.423	10%	0.104	S	C	.	.	H	α-helix	trans	-60.9	-15.8	-179.7	0	0	0	0	0	114.8	V463	G459-V463 WeakPolarHBondContact O-CB 3.07Å; G459-V463 WeakPolarHBondContact O-CG2 3.36Å; G459-V463 PolarHBondContact O-N 3.11Å
460	A	96.8	Very high	96.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-78	-32	173.9	0	0	0	0	0	112.4	L388 V416 F419 Y457 G458 M464	L388-A460 HydrophobicContact CD1-CB 4.18Å; V416-A460 HydrophobicContact CB-CB 4.33Å; V416-A460 HydrophobicContact CG1-CB 3.76Å; V416-A460 HydrophobicContact CG2-CB 3.58Å; F419-A460 HydrophobicContact CD2-CB 4.28Å; F419-A460 HydrophobicContact CE2-CB 4.2Å; Y457-A460 PolarHBondContact O-N 2.82Å; G458-A460 PolarHBondContact O-N 2.9Å; A460-M464 WeakPolarHBondContact O-CB 3.44Å; A460-M464 VanDerWaalsContact O-CG 3.27Å; A460-M464 WeakPolarHBondContact O-CG 3.27Å; A460-M464 PolarHBondContact O-N 3.45Å; A460-M464 VanDerWaalsContact O-N 3.08Å
461	Y	97.5	Very high	96.8	Very high	26 Å²	26	22.9 Å²	22.9	10%	0.102	12%	0.122	C	C	.	.	H	α-helix	trans	-59.3	-47.7	166.4	153.1	-95.6	0	0	0	110.6	I452 A456 Y457 G458 V463 M464 H468 V482	I452-Y461 HydrophobicContact CD1-CD2 4.4Å; I452-Y461 HydrophobicContact CD1-CE2 4.35Å; A456-Y461 HydrophobicContact CB-CD2 3.89Å; A456-Y461 HydrophobicContact CB-CG 4.36Å; Y457-Y461 PolarHBondContact O-N 2.89Å; G458-Y461 WeakPolarHBondContact O-CB 3.49Å; G458-Y461 PolarHBondContact O-N 3.29Å; Y461-V463 VanDerWaalsContact C-N 3.31Å; Y461-V463 PolarHBondContact O-N 3.31Å; Y461-M464 PolarHBondContact O-N 3.33Å; Y461-H468 AromaticContact CE1-CD2 3.96Å; Y461-H468 AromaticContact CE1-NE2 3.96Å; Y461-H468 PolarHBondContact OH-NE2 3.16Å; Y461-V482 HydrophobicContact CD2-CG1 3.95Å; Y461-V482 HydrophobicContact CE2-CG1 3.92Å; Y461-V482 HydrophobicContact CG-CG1 4.46Å
462	D	96.6	Very high	96.8	Very high	65 Å²	65	25 Å²	25	35%	0.348	13%	0.133	S	C	.	.	H	α-helix	trans	-57.6	-46.7	-179.2	-65.3	-42.2	0	0	0	111.1	G458 S466 H468 L469	G458-D462 PolarHBondContact O-N 3.08Å; D462-S466 WeakPolarHBondContact O-CB 3.24Å; D462-S466 PolarHBondContact O-OG 2.78Å; D462-H468 IonicContact OD1-CD2 3.06Å; D462-L469 WeakPolarHBondContact O-CD1 3.46Å; D462-L469 WeakPolarHBondContact O-CG 3.43Å
463	V	97.9	Very high	96.8	Very high	8 Å²	8	25.8 Å²	25.8	5%	0.048	14%	0.138	C	C	.	.	H	α-helix	trans	-65.7	-37.2	-178.7	170	0	0	0	0	113.4	L388 F419 L437 L438 Y441 G459 Y461 S465	L388-V463 HydrophobicContact CD1-CB 4.32Å; L388-V463 HydrophobicContact CD1-CG1 3.84Å; F419-V463 HydrophobicContact CE2-CG2 4.44Å; F419-V463 HydrophobicContact CZ-CG2 4.18Å; L437-V463 HydrophobicContact CB-CG1 3.9Å; L437-V463 HydrophobicContact CD2-CG1 3.71Å; L437-V463 HydrophobicContact CG-CG1 3.64Å; L438-V463 HydrophobicContact CB-CG2 4.08Å; L438-V463 HydrophobicContact CD1-CB 4.46Å; L438-V463 HydrophobicContact CD1-CG2 3.65Å; L438-V463 HydrophobicContact CG-CG2 4.45Å; Y441-V463 WeakPolarHBondContact CD2-O 3.45Å; G459-V463 WeakPolarHBondContact O-CB 3.07Å; G459-V463 WeakPolarHBondContact O-CG2 3.36Å; G459-V463 PolarHBondContact O-N 3.11Å; Y461-V463 VanDerWaalsContact C-N 3.31Å; Y461-V463 PolarHBondContact O-N 3.31Å; V463-S465 PolarHBondContact O-N 2.77Å
464	M	98.3	Very high	96.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.01	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	61.8	-174.6	-68.1	-59.1	-61.9	0	0	112.6	V377 N379 L388 T412 V414 V416 L437 A460 Y461 S466	V377-M464 HydrophobicContact CG1-CE 4.14Å; N379-M464 WeakPolarHBondContact OD1-CE 3.48Å; L388-M464 HydrophobicContact CD1-CG 4.28Å; L388-M464 HydrophobicContact CD1-SD 4.11Å; L388-M464 HydrophobicContact CD2-SD 4.08Å; T412-M464 HydrophobicContact CG2-CB 4.5Å; T412-M464 HydrophobicContact CG2-CE 3.7Å; V414-M464 HydrophobicContact CG1-CB 4Å; V414-M464 HydrophobicContact CG1-CG 4.44Å; V414-M464 HydrophobicContact CG2-CB 3.89Å; V416-M464 HydrophobicContact CG1-CG 4.1Å; L437-M464 HydrophobicContact CD2-SD 4.05Å; A460-M464 WeakPolarHBondContact O-CB 3.44Å; A460-M464 VanDerWaalsContact O-CG 3.27Å; A460-M464 WeakPolarHBondContact O-CG 3.27Å; A460-M464 PolarHBondContact O-N 3.45Å; A460-M464 VanDerWaalsContact O-N 3.08Å; Y461-M464 PolarHBondContact O-N 3.33Å; M464-S466 VanDerWaalsContact C-N 3.3Å; M464-S466 PolarHBondContact O-N 3.44Å
465	S	98	Very high	96.9	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.007	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	37.2	176.4	-169.5	0	0	0	0	114.7	T412 T450 V463 N474	T412-S465 WeakPolarHBondContact OG1-CB 3.27Å; T450-S465 WeakPolarHBondContact OG1-CB 3.49Å; T450-S465 PolarHBondContact OG1-O 2.75Å; T450-S465 PolarHBondContact OG1-OG 2.79Å; V463-S465 PolarHBondContact O-N 2.77Å; S465-N474 PolarHBondContact O-ND2 2.68Å
466	S	97.4	Very high	97	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.014	13%	0.134	C	C	.	.			trans	-55.1	155.7	173.9	66.7	0	0	0	0	112.5	D462 M464 H468 L469	D462-S466 WeakPolarHBondContact O-CB 3.24Å; D462-S466 PolarHBondContact O-OG 2.78Å; M464-S466 VanDerWaalsContact C-N 3.3Å; M464-S466 PolarHBondContact O-N 3.44Å; S466-H468 PolarHBondContact O-N 2.8Å; S466-H468 VanDerWaalsContact O-N 3.09Å; S466-L469 PolarHBondContact O-N 2.88Å
467	K	97.6	Very high	97.1	Very high	45 Å²	45	24.9 Å²	24.9	20%	0.196	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-55	-31.1	175.8	-172.2	145.9	-70.2	-108.7	0	112.4	L469 R470 D472 N474 G522 F523 D525	K467-L469 PolarHBondContact O-N 3.39Å; K467-R470 PolarHBondContact O-N 3.19Å; K467-D472 PolarHBondContact NZ-O 3.21Å; K467-N474 WeakPolarHBondContact CA-OD1 3.36Å; K467-N474 VanDerWaalsContact CE-OD1 3.27Å; K467-N474 WeakPolarHBondContact CE-OD1 3.33Å; K467-N474 PolarHBondContact N-ND2 3.46Å; K467-N474 PolarHBondContact N-OD1 2.98Å; K467-G522 WeakPolarHBondContact CD-O 3.28Å; K467-F523 WeakPolarHBondContact CB-O 3.43Å; K467-D525 VanDerWaalsContact CE-OD1 3.28Å; K467-D525 WeakPolarHBondContact CE-OD1 3.27Å; K467-D525 WeakPolarHBondContact CE-OD2 3.38Å; K467-D525 IonicContact NZ-OD1 2.62Å; K467-D525 PolarHBondContact NZ-OD1 3.27Å; K467-D525 IonicContact NZ-OD2 4Å; K467-D525 PolarHBondContact NZ-OD2 3.43Å
468	H	97.8	Very high	97.2	Very high	93 Å²	93	27.4 Å²	27.4	43%	0.431	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-63.3	-25.1	175.9	-47.8	-42.1	0	0	0	113.4	Y461 D462 S466 R470 F523	Y461-H468 AromaticContact CE1-CD2 3.96Å; Y461-H468 AromaticContact CE1-NE2 3.96Å; Y461-H468 PolarHBondContact OH-NE2 3.16Å; D462-H468 IonicContact OD1-CD2 3.06Å; S466-H468 PolarHBondContact O-N 2.8Å; S466-H468 VanDerWaalsContact O-N 3.09Å; H468-R470 VanDerWaalsContact C-N 3.27Å; H468-R470 PolarHBondContact O-N 2.76Å; H468-F523 AromaticContact CE1-CD1 3.6Å; H468-F523 AromaticContact CE1-CD2 3.79Å; H468-F523 AromaticContact CE1-CE1 3.78Å; H468-F523 AromaticContact CE1-CE2 3.95Å; H468-F523 AromaticContact CE1-CG 3.62Å; H468-F523 AromaticContact CE1-CZ 3.95Å; H468-F523 AromaticContact NE2-CD2 3.79Å; H468-F523 AromaticContact NE2-CG 3.97Å
469	L	96.8	Very high	97.2	Very high	25 Å²	25	28.6 Å²	28.6	13%	0.131	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-91.3	26.7	172.2	-55.8	-171.1	0	0	0	113.3	L438 A442 K448 D462 S466 K467	L438-L469 HydrophobicContact CD1-CD1 3.9Å; L438-L469 HydrophobicContact CD1-CD2 4.14Å; A442-L469 HydrophobicContact CB-CD2 4.28Å; K448-L469 PolarHBondContact NZ-O 3.14Å; D462-L469 WeakPolarHBondContact O-CD1 3.46Å; D462-L469 WeakPolarHBondContact O-CG 3.43Å; S466-L469 PolarHBondContact O-N 2.88Å; K467-L469 PolarHBondContact O-N 3.39Å
470	R	94.7	Very high	97.3	Very high	81 Å²	81	26.7 Å²	26.7	31%	0.306	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	40.9	-178.6	-45.6	145.5	75.1	-174.7	18.5	111.5	A442 K448 K467 H468 Q549 N551	A442-R470 PolarHBondContact O-NH1 3.35Å; K448-R470 WeakPolarHBondContact CE-O 3.16Å; K448-R470 PolarHBondContact NZ-O 3.09Å; K467-R470 PolarHBondContact O-N 3.19Å; H468-R470 VanDerWaalsContact C-N 3.27Å; H468-R470 PolarHBondContact O-N 2.76Å; R470-Q549 VanDerWaalsContact CZ-CD 3.47Å; R470-Q549 VanDerWaalsContact NE-OE1 3.07Å; R470-Q549 VanDerWaalsContact NH2-CG 3.3Å; R470-N551 PolarHBondContact NH1-OD1 3.46Å; R470-N551 PolarHBondContact NH2-OD1 3.19Å
471	G	96.1	Very high	97.2	Very high	8 Å²	8	28.3 Å²	28.3	8%	0.082	15%	0.145	C	C	.	.			trans	-65	130.1	165.4	0	0	0	0	0	109.5
472	D	98.4	Very high	97	Very high	43 Å²	43	27.9 Å²	27.9	23%	0.23	15%	0.146	C	C	.	.	S	Bend	trans	-73.8	-49.7	-178.5	-56.6	-72.6	0	0	0	109.6	P447 K448 K467 L544 K547	P447-D472 WeakPolarHBondContact CA-OD2 3.5Å; K448-D472 PolarHBondContact N-OD2 2.56Å; K448-D472 PolarHBondContact O-N 2.92Å; K467-D472 PolarHBondContact NZ-O 3.21Å; D472-L544 HydrophobicContact CB-CD1 3.7Å; D472-L544 HydrophobicContact CB-CD2 3.8Å; D472-L544 HydrophobicContact CB-CG 4.44Å; D472-K547 WeakPolarHBondContact OD1-CD 3.44Å; D472-K547 WeakPolarHBondContact OD1-CE 3.34Å; D472-K547 IonicContact OD1-NZ 3.77Å; D472-K547 PolarHBondContact OD1-NZ 3.16Å; D472-K547 IonicContact OD2-NZ 3.95Å; D472-K547 PolarHBondContact OD2-NZ 2.76Å
473	V	98.3	Very high	96.8	Very high	20 Å²	20	25.6 Å²	25.6	12%	0.121	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	129	178.9	-170.7	0	0	0	0	110.2	K448 I449 T450 Y475 D525 D540 L544	K448-V473 PolarHBondContact O-N 2.79Å; I449-V473 CarbonylContact C-O 3.5Å; I449-V473 WeakPolarHBondContact CA-O 3.16Å; I449-V473 HydrophobicContact CG1-CB 4.48Å; I449-V473 HydrophobicContact CG2-CB 4.44Å; T450-V473 PolarHBondContact N-O 3.06Å; V473-Y475 HydrophobicContact CB-CE2 4.47Å; V473-Y475 HydrophobicContact CG1-CD1 4.39Å; V473-Y475 HydrophobicContact CG1-CD2 3.92Å; V473-Y475 HydrophobicContact CG1-CE1 3.93Å; V473-Y475 HydrophobicContact CG1-CE2 3.39Å; V473-Y475 HydrophobicContact CG1-CG 4.39Å; V473-D525 WeakPolarHBondContact CA-OD2 3.35Å; V473-D540 HydrophobicContact CG2-CB 4.29Å; V473-L544 HydrophobicContact CG2-CD1 4.38Å
474	N	98.6	Very high	96.4	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	100.8	-179.8	-72.9	84	0	0	0	108.8	T450 S465 K467 V524 D525	T450-N474 VanDerWaalsContact CB-ND2 3.35Å; T450-N474 WeakPolarHBondContact CB-ND2 3.48Å; T450-N474 PolarHBondContact OG1-ND2 2.81Å; S465-N474 PolarHBondContact O-ND2 2.68Å; K467-N474 WeakPolarHBondContact CA-OD1 3.36Å; K467-N474 VanDerWaalsContact CE-OD1 3.27Å; K467-N474 WeakPolarHBondContact CE-OD1 3.33Å; K467-N474 PolarHBondContact N-ND2 3.46Å; K467-N474 PolarHBondContact N-OD1 2.98Å; N474-V524 CarbonylContact O-C 3.53Å; N474-V524 WeakPolarHBondContact O-CA 3.48Å; N474-V524 WeakPolarHBondContact O-CG1 3.45Å; N474-D525 PolarHBondContact N-OD2 3.22Å; N474-D525 PolarHBondContact O-N 3.22Å
475	Y	98.8	Very high	95.9	Very high	12 Å²	12	33.6 Å²	33.6	5%	0.047	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	153.4	174.1	-66.4	-60.7	0	0	0	112.1	I449 T450 V451 I452 V473 D526 I528 K536 D540	I449-Y475 HydrophobicContact CG2-CD2 4.28Å; I449-Y475 HydrophobicContact CG2-CE2 4.33Å; T450-Y475 PolarHBondContact O-N 3.43Å; V451-Y475 WeakPolarHBondContact CA-O 3.42Å; V451-Y475 HydrophobicContact CG2-CD2 4.4Å; I452-Y475 PolarHBondContact N-O 3.25Å; V473-Y475 HydrophobicContact CB-CE2 4.47Å; V473-Y475 HydrophobicContact CG1-CD1 4.39Å; V473-Y475 HydrophobicContact CG1-CD2 3.92Å; V473-Y475 HydrophobicContact CG1-CE1 3.93Å; V473-Y475 HydrophobicContact CG1-CE2 3.39Å; V473-Y475 HydrophobicContact CG1-CG 4.39Å; Y475-D526 HydrophobicContact CD1-CB 3.87Å; Y475-D526 HydrophobicContact CE1-CB 3.83Å; Y475-I528 HydrophobicContact CD1-CD1 4.17Å; Y475-I528 HydrophobicContact CD1-CG1 4.43Å; Y475-I528 HydrophobicContact CD1-CG2 3.56Å; Y475-I528 HydrophobicContact CD2-CD1 4.25Å; Y475-I528 HydrophobicContact CE1-CG2 3.85Å; Y475-I528 HydrophobicContact CG-CD1 3.87Å; Y475-I528 HydrophobicContact CG-CG1 4.4Å; Y475-I528 HydrophobicContact CG-CG2 4.33Å; Y475-K536 HydrophobicContact CE1-CD 3.91Å; Y475-K536 HydrophobicContact CE2-CB 3.9Å; Y475-K536 WeakPolarHBondContact OH-CD 3.34Å; Y475-D540 WeakPolarHBondContact CE2-OD2 3.44Å; Y475-D540 VanDerWaalsContact CZ-OD2 3.22Å; Y475-D540 PolarHBondContact OH-OD2 2.98Å
476	A	98.5	Very high	95.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	146.3	164.7	0	0	0	0	0	110.5	I452 A480 P515 V524 D526 I527 I528	I452-A476 HydrophobicContact CB-CB 4.44Å; A476-A480 HydrophobicContact CB-CB 3.82Å; A476-P515 HydrophobicContact CB-CB 3.82Å; A476-V524 HydrophobicContact CB-CG1 3.73Å; A476-V524 HydrophobicContact CB-CG2 4.23Å; A476-D526 PolarHBondContact N-O 3.18Å; A476-D526 VanDerWaalsContact N-O 3.16Å; A476-I527 CarbonylContact O-C 3.57Å; A476-I527 WeakPolarHBondContact O-CA 3.36Å; A476-I528 PolarHBondContact O-N 2.92Å
477	W	98.2	Very high	94.6	Very high	1 Å²	1	35.6 Å²	35.6	0%	0.004	20%	0.2	C	C	.	.			trans	-82.2	163.2	163.9	-71.5	1.7	0	0	0	110.5	L324 I327 V328 I341 I452 T453 T479 A480 P530 T533	L324-W477 HydrophobicContact CB-CH2 3.98Å; L324-W477 HydrophobicContact CB-CZ2 4.33Å; L324-W477 HydrophobicContact CD1-CH2 4.38Å; L324-W477 HydrophobicContact CD1-CZ2 4.18Å; L324-W477 HydrophobicContact CD2-CH2 4.21Å; L324-W477 HydrophobicContact CG-CH2 4.41Å; I327-W477 HydrophobicContact CG2-CH2 4Å; I327-W477 HydrophobicContact CG2-CZ3 3.73Å; V328-W477 HydrophobicContact CG2-CE3 3.93Å; V328-W477 HydrophobicContact CG2-CZ3 3.7Å; I341-W477 HydrophobicContact CD1-CH2 3.66Å; I341-W477 HydrophobicContact CD1-CZ3 3.89Å; I341-W477 HydrophobicContact CG1-CH2 4.15Å; I341-W477 HydrophobicContact CG2-CH2 4.14Å; I341-W477 HydrophobicContact CG2-CZ2 4.41Å; I452-W477 PolarHBondContact O-N 3.36Å; T453-W477 HydrophobicContact CG2-CD2 4.11Å; T453-W477 HydrophobicContact CG2-CE3 4.03Å; T453-W477 HydrophobicContact CG2-CH2 4.09Å; T453-W477 HydrophobicContact CG2-CZ2 4.16Å; T453-W477 HydrophobicContact CG2-CZ3 4.03Å; W477-T479 PolarHBondContact O-N 3.26Å; W477-T479 VanDerWaalsContact O-N 3.15Å; W477-A480 WeakPolarHBondContact O-CB 3.4Å; W477-A480 PolarHBondContact O-N 2.88Å; W477-P530 HydrophobicContact CB-CG 4.33Å; W477-P530 HydrophobicContact CD2-CB 3.76Å; W477-P530 HydrophobicContact CD2-CG 3.77Å; W477-P530 HydrophobicContact CE3-CB 3.92Å; W477-P530 HydrophobicContact CE3-CG 3.91Å; W477-P530 HydrophobicContact CG-CB 4.33Å; W477-P530 HydrophobicContact CG-CG 3.96Å; W477-P530 HydrophobicContact CH2-CB 4.04Å; W477-P530 HydrophobicContact CZ2-CB 3.88Å; W477-P530 HydrophobicContact CZ3-CB 4.04Å; W477-P530 HydrophobicContact CZ3-CG 4.45Å; W477-T533 PolarHBondContact NE1-OG1 3.03Å
478	P	95.9	Very high	93.9	Very high	80 Å²	80	39.7 Å²	39.7	52%	0.519	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-23.7	177.8	-22.4	35.3	0	0	0	113.1	A480 I528	P478-A480 VanDerWaalsContact C-N 3.27Å; P478-A480 PolarHBondContact O-N 2.76Å; P478-I528 WeakPolarHBondContact CD-O 3.38Å
479	T	95.1	Very high	93.2	Very high	44 Å²	44	36.7 Å²	36.7	27%	0.27	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	1.8	174.7	45.5	0	0	0	0	114.2	V328 T453 R454 W477	V328-T479 HydrophobicContact CG1-CG2 4.14Å; T453-T479 PolarHBondContact O-OG1 3.37Å; R454-T479 WeakPolarHBondContact CA-O 3.02Å; R454-T479 WeakPolarHBondContact CG-O 3.37Å; W477-T479 PolarHBondContact O-N 3.26Å; W477-T479 VanDerWaalsContact O-N 3.15Å
480	A	95.9	Very high	92.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.008	21%	0.207	C	C	.	.			trans	-77.1	134.4	-175.4	0	0	0	0	0	113.3	I452 R454 A476 W477 P478 N514 P515	I452-A480 HydrophobicContact CB-CB 4.18Å; I452-A480 HydrophobicContact CG2-CB 3.72Å; R454-A480 CarbonylContact O-C 3.57Å; R454-A480 VanDerWaalsContact O-CA 3.23Å; R454-A480 WeakPolarHBondContact O-CA 3.49Å; A476-A480 HydrophobicContact CB-CB 3.82Å; W477-A480 WeakPolarHBondContact O-CB 3.4Å; W477-A480 PolarHBondContact O-N 2.88Å; P478-A480 VanDerWaalsContact C-N 3.27Å; P478-A480 PolarHBondContact O-N 2.76Å; A480-N514 CarbonylContact O-C 3.15Å; A480-N514 VanDerWaalsContact O-CA 3.22Å; A480-N514 WeakPolarHBondContact O-CA 3.37Å; A480-P515 HydrophobicContact CB-CB 4.13Å; A480-P515 HydrophobicContact CB-CG 4.49Å; A480-P515 WeakPolarHBondContact O-CD 3.49Å; A480-P515 VanDerWaalsContact O-N 3.17Å
481	E	94.3	Very high	92.2	Very high	34 Å²	34	31.9 Å²	31.9	16%	0.159	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	104.4	-179.9	-58	177.6	-120.2	0	0	108.5	R454 A456 Y457 A513	R454-E481 PolarHBondContact O-N 3.01Å; A456-E481 PolarHBondContact N-O 3.45Å; Y457-E481 HydrophobicContact CE1-CB 3.82Å; Y457-E481 WeakPolarHBondContact CE1-O 3.29Å; Y457-E481 PolarHBondContact OH-OE2 3.07Å; E481-A513 HydrophobicContact CG-CB 4.27Å
482	V	93.6	Very high	91.7	Very high	18 Å²	18	36.5 Å²	36.5	11%	0.109	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	103.4	-175.2	-171.1	0	0	0	0	110.6	I452 A456 Y461 A518	I452-V482 HydrophobicContact CD1-CG2 3.89Å; A456-V482 HydrophobicContact CB-CG2 4.41Å; Y461-V482 HydrophobicContact CD2-CG1 3.95Å; Y461-V482 HydrophobicContact CE2-CG1 3.92Å; Y461-V482 HydrophobicContact CG-CG1 4.46Å; V482-A518 HydrophobicContact CB-CB 4.15Å; V482-A518 HydrophobicContact CG1-CB 4.03Å; V482-A518 HydrophobicContact CG2-CB 4.35Å
483	A	91.9	Very high	91.1	Very high	17 Å²	17	39.9 Å²	39.9	14%	0.14	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	163.4	-170.2	0	0	0	0	0	113.4	A456 Y457 G458 M485	A456-A483 PolarHBondContact O-N 2.74Å; Y457-A483 VanDerWaalsContact CA-O 3.31Å; Y457-A483 WeakPolarHBondContact CA-O 3.49Å; Y457-A483 HydrophobicContact CD1-CB 4.04Å; Y457-A483 HydrophobicContact CE1-CB 4.23Å; G458-A483 PolarHBondContact N-O 3.2Å; A483-M485 VanDerWaalsContact C-N 3.33Å; A483-M485 PolarHBondContact O-N 3.18Å
484	V	90	Very high	90.3	Very high	109 Å²	109	44 Å²	44	66%	0.661	25%	0.25	S	C	*	.	S	Bend	trans	-67.7	-34.8	177.1	177.7	0	0	0	0	111.7	G458	G458-V484 WeakPolarHBondContact CA-O 3.23Å; G458-V484 PolarHBondContact N-O 3.27Å
485	M	88.4	Confident	89.5	Confident	68 Å²	68	46.2 Å²	46.2	34%	0.335	26%	0.259	S	S	.	.	S	Bend	trans	-162.3	169.8	172.9	62.5	-176.3	73.9	0	0	109.3	A483 G489 A490 I493	A483-M485 VanDerWaalsContact C-N 3.33Å; A483-M485 PolarHBondContact O-N 3.18Å; M485-G489 VanDerWaalsContact SD-C 3.59Å; M485-A490 HydrophobicContact CG-CB 3.8Å; M485-A490 HydrophobicContact SD-CB 4.26Å; M485-A490 PolarHBondContact SD-N 2.94Å; M485-I493 HydrophobicContact CE-CD1 4Å; M485-I493 HydrophobicContact SD-CD1 3.88Å
486	G	84.6	Confident	88.7	Confident	29 Å²	29	55.8 Å²	55.8	30%	0.299	30%	0.296	S	S	.	.			trans	-60.3	143	175.2	0	0	0	0	0	112.9	K488 G489 A490	G486-K488 PolarHBondContact O-N 3.46Å; G486-G489 PolarHBondContact O-N 3.42Å; G486-A490 PolarHBondContact O-N 2.85Å; G486-A490 VanDerWaalsContact O-N 3.14Å
487	A	83.9	Confident	87.5	Confident	17 Å²	17	59.6 Å²	59.6	14%	0.14	33%	0.334	C	S	.	.	H	α-helix	trans	-48.7	-50.6	-169.2	0	0	0	0	0	114.2	G489 A490 V491 E505 Y508 V509	A487-G489 VanDerWaalsContact C-N 3.27Å; A487-G489 PolarHBondContact O-N 3.34Å; A487-A490 PolarHBondContact O-N 2.97Å; A487-A490 VanDerWaalsContact O-N 3.09Å; A487-V491 WeakPolarHBondContact O-CG2 3.46Å; A487-V491 PolarHBondContact O-N 3.37Å; A487-E505 HydrophobicContact CB-CG 4.12Å; A487-Y508 HydrophobicContact CB-CD1 3.64Å; A487-Y508 HydrophobicContact CB-CE1 4.37Å; A487-Y508 HydrophobicContact CB-CG 4.38Å; A487-V509 HydrophobicContact CB-CG2 3.63Å
488	K	82.5	Confident	86.5	Confident	130 Å²	130	65.7 Å²	65.7	57%	0.565	36%	0.361	S	S	*	.	H	α-helix	trans	-50.2	-43.5	175.5	-167.8	169.6	-177.2	170.5	0	114	G486 Q492 E505	G486-K488 PolarHBondContact O-N 3.46Å; K488-Q492 WeakPolarHBondContact O-CB 3.33Å; K488-Q492 VanDerWaalsContact O-CG 3.25Å; K488-Q492 WeakPolarHBondContact O-CG 3.48Å; K488-Q492 PolarHBondContact O-N 3.13Å; K488-E505 WeakPolarHBondContact CB-OE1 3.13Å; K488-E505 PolarHBondContact N-OE1 2.71Å
489	G	82.4	Confident	85.4	Confident	30 Å²	30	71.6 Å²	71.6	31%	0.309	38%	0.382	S	S	.	.	H	α-helix	trans	-70.7	-42.8	178.5	0	0	0	0	0	112	M485 G486 A487 V491 Q492 I493	M485-G489 VanDerWaalsContact SD-C 3.59Å; G486-G489 PolarHBondContact O-N 3.42Å; A487-G489 VanDerWaalsContact C-N 3.27Å; A487-G489 PolarHBondContact O-N 3.34Å; G489-V491 PolarHBondContact O-N 2.84Å; G489-Q492 PolarHBondContact O-N 2.7Å; G489-I493 WeakPolarHBondContact O-CG1 3.48Å; G489-I493 PolarHBondContact O-N 3.42Å
490	A	85	Confident	84.7	Confident	4 Å²	4	73.3 Å²	73.3	3%	0.033	39%	0.389	C	S	.	.	H	α-helix	trans	-61.5	-44.8	177.5	0	0	0	0	0	111.6	M485 G486 A487 I493 I494 Y508	M485-A490 HydrophobicContact CG-CB 3.8Å; M485-A490 HydrophobicContact SD-CB 4.26Å; M485-A490 PolarHBondContact SD-N 2.94Å; G486-A490 PolarHBondContact O-N 2.85Å; G486-A490 VanDerWaalsContact O-N 3.14Å; A487-A490 PolarHBondContact O-N 2.97Å; A487-A490 VanDerWaalsContact O-N 3.09Å; A490-I493 PolarHBondContact O-N 3.34Å; A490-I494 HydrophobicContact CB-CD1 4.38Å; A490-I494 WeakPolarHBondContact O-CB 3.31Å; A490-I494 VanDerWaalsContact O-CG1 3.28Å; A490-I494 WeakPolarHBondContact O-CG1 3.35Å; A490-I494 PolarHBondContact O-N 3.16Å; A490-Y508 HydrophobicContact CB-CD1 4.43Å; A490-Y508 HydrophobicContact CB-CD2 4.07Å; A490-Y508 HydrophobicContact CB-CE1 3.91Å; A490-Y508 HydrophobicContact CB-CE2 3.51Å; A490-Y508 VanDerWaalsContact CB-CZ 3.42Å
491	V	85.2	Confident	83.7	Confident	2 Å²	2	76.7 Å²	76.7	1%	0.012	41%	0.405	C	S	.	.	H	α-helix	trans	-67.7	-40.4	-179	171	0	0	0	0	112.3	A487 G489 I493 I494 F495 Q501 A504 E505 Y508	A487-V491 WeakPolarHBondContact O-CG2 3.46Å; A487-V491 PolarHBondContact O-N 3.37Å; G489-V491 PolarHBondContact O-N 2.84Å; V491-I493 PolarHBondContact O-N 2.75Å; V491-I494 PolarHBondContact O-N 2.69Å; V491-F495 HydrophobicContact CB-CD2 4.33Å; V491-F495 HydrophobicContact CG1-CB 4.2Å; V491-F495 HydrophobicContact CG1-CD2 3.96Å; V491-F495 HydrophobicContact CG1-CG 4.36Å; V491-F495 HydrophobicContact CG2-CD2 4.3Å; V491-F495 HydrophobicContact CG2-CE2 4.47Å; V491-F495 WeakPolarHBondContact O-CA 3.04Å; V491-F495 WeakPolarHBondContact O-CB 3.34Å; V491-F495 PolarHBondContact O-N 2.99Å; V491-Q501 HydrophobicContact CG1-CB 4.2Å; V491-A504 HydrophobicContact CG1-CB 3.89Å; V491-A504 HydrophobicContact CG2-CB 4.41Å; V491-A504 WeakPolarHBondContact CG2-O 3.19Å; V491-E505 HydrophobicContact CG2-CB 4.27Å; V491-Y508 HydrophobicContact CG2-CG 4.4Å
492	Q	85.4	Confident	83.1	Confident	104 Å²	104	78.8 Å²	78.8	49%	0.486	43%	0.428	S	S	.	.	H	α-helix	trans	-59.7	-28.1	175.2	-77.4	178.5	-4.8	0	0	113.3	K488 G489 R496	K488-Q492 WeakPolarHBondContact O-CB 3.33Å; K488-Q492 VanDerWaalsContact O-CG 3.25Å; K488-Q492 WeakPolarHBondContact O-CG 3.48Å; K488-Q492 PolarHBondContact O-N 3.13Å; G489-Q492 PolarHBondContact O-N 2.7Å; Q492-R496 WeakPolarHBondContact O-CB 3.05Å
493	I	85.7	Confident	82.6	Confident	115 Å²	115	84.1 Å²	84.1	59%	0.59	45%	0.452	S	S	*	.	H	α-helix	trans	-85.1	-51.3	176.3	-63.7	171.5	0	0	0	110.9	M485 G489 A490 V491	M485-I493 HydrophobicContact CE-CD1 4Å; M485-I493 HydrophobicContact SD-CD1 3.88Å; G489-I493 WeakPolarHBondContact O-CG1 3.48Å; G489-I493 PolarHBondContact O-N 3.42Å; A490-I493 PolarHBondContact O-N 3.34Å; V491-I493 PolarHBondContact O-N 2.75Å
494	I	82.9	Confident	82.2	Confident	106 Å²	106	83.6 Å²	83.6	54%	0.544	45%	0.447	S	S	.	.	H	α-helix	trans	-72.5	-38.5	-173	-63.3	165.5	0	0	0	112.1	A490 V491 Y508	A490-I494 HydrophobicContact CB-CD1 4.38Å; A490-I494 WeakPolarHBondContact O-CB 3.31Å; A490-I494 VanDerWaalsContact O-CG1 3.28Å; A490-I494 WeakPolarHBondContact O-CG1 3.35Å; A490-I494 PolarHBondContact O-N 3.16Å; V491-I494 PolarHBondContact O-N 2.69Å; I494-Y508 HydrophobicContact CD1-CE2 4.16Å
495	F	82.2	Confident	81.8	Confident	49 Å²	49	81.7 Å²	81.7	22%	0.215	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	25.6	-176.4	-60.1	-99.7	0	0	0	112.1	V491 G497 K498 A504	V491-F495 HydrophobicContact CB-CD2 4.33Å; V491-F495 HydrophobicContact CG1-CB 4.2Å; V491-F495 HydrophobicContact CG1-CD2 3.96Å; V491-F495 HydrophobicContact CG1-CG 4.36Å; V491-F495 HydrophobicContact CG2-CD2 4.3Å; V491-F495 HydrophobicContact CG2-CE2 4.47Å; V491-F495 WeakPolarHBondContact O-CA 3.04Å; V491-F495 WeakPolarHBondContact O-CB 3.34Å; V491-F495 PolarHBondContact O-N 2.99Å; F495-G497 PolarHBondContact O-N 2.81Å; F495-K498 HydrophobicContact CB-CB 4.47Å; F495-K498 HydrophobicContact CB-CD 4.35Å; F495-K498 HydrophobicContact CD1-CD 3.89Å; F495-K498 PolarHBondContact O-N 3.22Å; F495-A504 HydrophobicContact CD1-CB 3.81Å; F495-A504 HydrophobicContact CD2-CB 3.84Å; F495-A504 HydrophobicContact CE1-CB 3.82Å; F495-A504 HydrophobicContact CE2-CB 3.84Å; F495-A504 HydrophobicContact CG-CB 3.84Å; F495-A504 HydrophobicContact CZ-CB 3.84Å
496	R	80.7	Confident	81.6	Confident	214 Å²	214	81.5 Å²	81.5	81%	0.808	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	122.7	177.8	-170	176.1	179.8	178.7	0.4	110.8	Q492	Q492-R496 WeakPolarHBondContact O-CB 3.05Å
497	G	74.2	Confident	81.7	Confident	79 Å²	79	84.3 Å²	84.3	81%	0.814	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	8.1	-179.9	0	0	0	0	0	115.6	F495	F495-G497 PolarHBondContact O-N 2.81Å
498	K	75.9	Confident	81.7	Confident	129 Å²	129	84.8 Å²	84.8	56%	0.561	44%	0.444	S	S	*	.			trans	-98.4	144.7	168.2	-66.1	178.5	173.4	-179.1	0	110.7	F495 Q501	F495-K498 HydrophobicContact CB-CB 4.47Å; F495-K498 HydrophobicContact CB-CD 4.35Å; F495-K498 HydrophobicContact CD1-CD 3.89Å; F495-K498 PolarHBondContact O-N 3.22Å; K498-Q501 WeakPolarHBondContact O-CG 3.06Å
499	E	73.6	Confident	81.8	Confident	205 Å²	205	81.9 Å²	81.9	96%	0.958	44%	0.437	S	S	*	.	S	Bend	trans	-74.3	-28.4	-177.1	-60.6	-178.6	157	0	0	113	Q501	E499-Q501 PolarHBondContact O-N 3.3Å; E499-Q501 VanDerWaalsContact O-N 3.16Å
500	N	79.6	Confident	81.9	Confident	79 Å²	79	86.4 Å²	86.4	42%	0.422	45%	0.454	S	S	.	.			trans	-93.2	54.3	-170.4	-160.7	4.4	0	0	0	113.9	E503 A504	N500-E503 PolarHBondContact ND2-OE2 3.42Å; N500-E503 WeakPolarHBondContact OD1-CB 2.99Å; N500-E503 VanDerWaalsContact OD1-CD 3.28Å; N500-E503 VanDerWaalsContact OD1-CG 3.24Å; N500-E503 WeakPolarHBondContact OD1-CG 3.49Å; N500-A504 PolarHBondContact O-N 2.71Å
501	Q	76.3	Confident	81.8	Confident	72 Å²	72	91 Å²	91	34%	0.336	47%	0.473	S	S	.	.	H	α-helix	trans	-73.5	-29.1	-175.6	-64	-171.1	-4.8	0	0	113.6	V491 K498 E499 A504 E505	V491-Q501 HydrophobicContact CG1-CB 4.2Å; K498-Q501 WeakPolarHBondContact O-CG 3.06Å; E499-Q501 PolarHBondContact O-N 3.3Å; E499-Q501 VanDerWaalsContact O-N 3.16Å; Q501-A504 PolarHBondContact O-N 3.4Å; Q501-E505 WeakPolarHBondContact O-CB 3.22Å; Q501-E505 PolarHBondContact O-N 3.5Å
502	A	81.1	Confident	81.6	Confident	78 Å²	78	94.8 Å²	94.8	65%	0.645	49%	0.49	S	S	*	.	H	α-helix	trans	-69.6	-43.5	-178.3	0	0	0	0	0	112.4	A504 E505 A506	A502-A504 VanDerWaalsContact C-N 3.35Å; A502-E505 PolarHBondContact O-N 2.88Å; A502-A506 PolarHBondContact O-N 2.93Å
503	E	83.4	Confident	81.5	Confident	131 Å²	131	91 Å²	91	61%	0.612	48%	0.476	S	S	*	.	H	α-helix	trans	-66.6	-38.7	174.8	-65.6	178.6	-166	0	0	111.1	N500 E505 A506 E507	N500-E503 PolarHBondContact ND2-OE2 3.42Å; N500-E503 WeakPolarHBondContact OD1-CB 2.99Å; N500-E503 VanDerWaalsContact OD1-CD 3.28Å; N500-E503 VanDerWaalsContact OD1-CG 3.24Å; N500-E503 WeakPolarHBondContact OD1-CG 3.49Å; E503-E505 VanDerWaalsContact C-N 3.3Å; E503-E505 PolarHBondContact O-N 3.09Å; E503-A506 PolarHBondContact O-N 3.05Å; E503-E507 WeakPolarHBondContact O-CB 3.47Å; E503-E507 PolarHBondContact O-N 3.11Å
504	A	82.8	Confident	81.6	Confident	6 Å²	6	87.1 Å²	87.1	5%	0.05	46%	0.456	C	S	.	.	H	α-helix	trans	-64.1	-31.6	174.2	0	0	0	0	0	113.2	V491 F495 N500 Q501 A502 Y508	V491-A504 HydrophobicContact CG1-CB 3.89Å; V491-A504 HydrophobicContact CG2-CB 4.41Å; V491-A504 WeakPolarHBondContact CG2-O 3.19Å; F495-A504 HydrophobicContact CD1-CB 3.81Å; F495-A504 HydrophobicContact CD2-CB 3.84Å; F495-A504 HydrophobicContact CE1-CB 3.82Å; F495-A504 HydrophobicContact CE2-CB 3.84Å; F495-A504 HydrophobicContact CG-CB 3.84Å; F495-A504 HydrophobicContact CZ-CB 3.84Å; N500-A504 PolarHBondContact O-N 2.71Å; Q501-A504 PolarHBondContact O-N 3.4Å; A502-A504 VanDerWaalsContact C-N 3.35Å; A504-Y508 WeakPolarHBondContact O-CB 3.43Å; A504-Y508 PolarHBondContact O-N 3Å
505	E	83.1	Confident	82.1	Confident	69 Å²	69	82.2 Å²	82.2	32%	0.322	43%	0.431	S	S	.	.	H	α-helix	trans	-71.4	-42.8	173.2	-170.2	168.6	-178.4	0	0	111.7	A487 K488 V491 Q501 A502 E503 Y508 V509	A487-E505 HydrophobicContact CB-CG 4.12Å; K488-E505 WeakPolarHBondContact CB-OE1 3.13Å; K488-E505 PolarHBondContact N-OE1 2.71Å; V491-E505 HydrophobicContact CG2-CB 4.27Å; Q501-E505 WeakPolarHBondContact O-CB 3.22Å; Q501-E505 PolarHBondContact O-N 3.5Å; A502-E505 PolarHBondContact O-N 2.88Å; E503-E505 VanDerWaalsContact C-N 3.3Å; E503-E505 PolarHBondContact O-N 3.09Å; E505-Y508 PolarHBondContact O-N 2.89Å; E505-V509 VanDerWaalsContact O-CG2 3.31Å; E505-V509 WeakPolarHBondContact O-CG2 3.44Å; E505-V509 PolarHBondContact O-N 2.79Å
506	A	84	Confident	82.7	Confident	63 Å²	63	86.1 Å²	86.1	52%	0.521	45%	0.449	S	S	.	.	H	α-helix	trans	-60.5	-44.5	172.4	0	0	0	0	0	112.1	A502 E503 Y508 V509 D510	A502-A506 PolarHBondContact O-N 2.93Å; E503-A506 PolarHBondContact O-N 3.05Å; A506-Y508 PolarHBondContact O-N 2.78Å; A506-V509 PolarHBondContact O-N 2.87Å; A506-D510 WeakPolarHBondContact O-CB 3.24Å; A506-D510 PolarHBondContact O-N 2.83Å
507	E	85	Confident	83.2	Confident	89 Å²	89	77.1 Å²	77.1	42%	0.416	42%	0.418	S	S	.	.	H	α-helix	trans	-63	-39	176	-169.7	-168.3	166.5	0	0	112.1	E503 K511	E503-E507 WeakPolarHBondContact O-CB 3.47Å; E503-E507 PolarHBondContact O-N 3.11Å; E507-K511 HydrophobicContact CG-CD 4.07Å; E507-K511 WeakPolarHBondContact O-CB 3.32Å; E507-K511 WeakPolarHBondContact O-CG 3.23Å; E507-K511 PolarHBondContact O-N 3.35Å; E507-K511 WeakPolarHBondContact OE1-CE 3.46Å; E507-K511 IonicContact OE1-NZ 3.37Å; E507-K511 PolarHBondContact OE1-NZ 2.89Å
508	Y	85.2	Confident	84.2	Confident	27 Å²	27	73.6 Å²	73.6	11%	0.106	38%	0.381	C	S	.	.	H	α-helix	trans	-68.4	-40.7	177.1	-166.1	-80.1	0	0	0	111.8	A487 A490 V491 I494 A504 E505 A506 K511 F512	A487-Y508 HydrophobicContact CB-CD1 3.64Å; A487-Y508 HydrophobicContact CB-CE1 4.37Å; A487-Y508 HydrophobicContact CB-CG 4.38Å; A490-Y508 HydrophobicContact CB-CD1 4.43Å; A490-Y508 HydrophobicContact CB-CD2 4.07Å; A490-Y508 HydrophobicContact CB-CE1 3.91Å; A490-Y508 HydrophobicContact CB-CE2 3.51Å; A490-Y508 VanDerWaalsContact CB-CZ 3.42Å; V491-Y508 HydrophobicContact CG2-CG 4.4Å; I494-Y508 HydrophobicContact CD1-CE2 4.16Å; A504-Y508 WeakPolarHBondContact O-CB 3.43Å; A504-Y508 PolarHBondContact O-N 3Å; E505-Y508 PolarHBondContact O-N 2.89Å; A506-Y508 PolarHBondContact O-N 2.78Å; Y508-K511 PolarHBondContact O-N 2.91Å; Y508-F512 HydrophobicContact CD1-CB 4.14Å; Y508-F512 HydrophobicContact CD1-CD2 4.09Å; Y508-F512 AromaticContact CD2-CD2 3.66Å; Y508-F512 HydrophobicContact CD2-CD2 3.66Å; Y508-F512 HydrophobicContact CD2-CE2 4.04Å; Y508-F512 HydrophobicContact CE1-CB 3.82Å; Y508-F512 HydrophobicContact CE1-CD2 4.08Å; Y508-F512 HydrophobicContact CE1-CG 4.28Å; Y508-F512 AromaticContact CE2-CD2 3.63Å; Y508-F512 HydrophobicContact CE2-CD2 3.63Å; Y508-F512 HydrophobicContact CE2-CE2 4Å; Y508-F512 HydrophobicContact CE2-CG 4.38Å; Y508-F512 AromaticContact CG-CD2 3.89Å; Y508-F512 HydrophobicContact CG-CD2 3.89Å; Y508-F512 AromaticContact CZ-CD2 3.85Å; Y508-F512 WeakPolarHBondContact O-CB 3.47Å; Y508-F512 PolarHBondContact O-N 3.44Å
509	V	83.8	Confident	85.1	Confident	69 Å²	69	68.8 Å²	68.8	42%	0.418	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-51.9	175.3	168.2	0	0	0	0	110.2	A487 E505 A506 K511 F512 A513	A487-V509 HydrophobicContact CB-CG2 3.63Å; E505-V509 VanDerWaalsContact O-CG2 3.31Å; E505-V509 WeakPolarHBondContact O-CG2 3.44Å; E505-V509 PolarHBondContact O-N 2.79Å; A506-V509 PolarHBondContact O-N 2.87Å; V509-K511 VanDerWaalsContact C-N 3.3Å; V509-K511 PolarHBondContact O-N 3.01Å; V509-F512 PolarHBondContact O-N 3.25Å; V509-A513 HydrophobicContact CB-CB 4.27Å; V509-A513 HydrophobicContact CG1-CB 3.97Å; V509-A513 HydrophobicContact CG2-CB 4.48Å; V509-A513 WeakPolarHBondContact O-CA 3.34Å; V509-A513 VanDerWaalsContact O-CB 3.29Å; V509-A513 WeakPolarHBondContact O-CB 3.31Å; V509-A513 PolarHBondContact O-N 3.3Å
510	D	84.3	Confident	86.2	Confident	124 Å²	124	64.9 Å²	64.9	66%	0.663	36%	0.356	S	S	*	.	H	α-helix	trans	-55.2	-44.1	178	-178.3	69.9	0	0	0	112.3	A506 N514	A506-D510 WeakPolarHBondContact O-CB 3.24Å; A506-D510 PolarHBondContact O-N 2.83Å; D510-N514 PolarHBondContact O-ND2 2.92Å
511	K	83.1	Confident	87	Confident	100 Å²	100	68.4 Å²	68.4	44%	0.435	36%	0.363	S	S	.	.	H	α-helix	trans	-80.1	-32.1	-176.9	-70.7	179.2	179.7	179.2	0	115.4	E507 Y508 V509 P517	E507-K511 HydrophobicContact CG-CD 4.07Å; E507-K511 WeakPolarHBondContact O-CB 3.32Å; E507-K511 WeakPolarHBondContact O-CG 3.23Å; E507-K511 PolarHBondContact O-N 3.35Å; E507-K511 WeakPolarHBondContact OE1-CE 3.46Å; E507-K511 IonicContact OE1-NZ 3.37Å; E507-K511 PolarHBondContact OE1-NZ 2.89Å; Y508-K511 PolarHBondContact O-N 2.91Å; V509-K511 VanDerWaalsContact C-N 3.3Å; V509-K511 PolarHBondContact O-N 3.01Å; K511-P517 VanDerWaalsContact O-CG 3.24Å; K511-P517 WeakPolarHBondContact O-CG 3.29Å
512	F	81.6	Confident	87.9	Confident	82 Å²	82	66.9 Å²	66.9	36%	0.36	37%	0.367	S	S	.	.	H	α-helix	trans	-130	-17.7	-166.3	-57.9	-70.8	0	0	0	115.6	Y508 V509 N514 P517	Y508-F512 HydrophobicContact CD1-CB 4.14Å; Y508-F512 HydrophobicContact CD1-CD2 4.09Å; Y508-F512 AromaticContact CD2-CD2 3.66Å; Y508-F512 HydrophobicContact CD2-CD2 3.66Å; Y508-F512 HydrophobicContact CD2-CE2 4.04Å; Y508-F512 HydrophobicContact CE1-CB 3.82Å; Y508-F512 HydrophobicContact CE1-CD2 4.08Å; Y508-F512 HydrophobicContact CE1-CG 4.28Å; Y508-F512 AromaticContact CE2-CD2 3.63Å; Y508-F512 HydrophobicContact CE2-CD2 3.63Å; Y508-F512 HydrophobicContact CE2-CE2 4Å; Y508-F512 HydrophobicContact CE2-CG 4.38Å; Y508-F512 AromaticContact CG-CD2 3.89Å; Y508-F512 HydrophobicContact CG-CD2 3.89Å; Y508-F512 AromaticContact CZ-CD2 3.85Å; Y508-F512 WeakPolarHBondContact O-CB 3.47Å; Y508-F512 PolarHBondContact O-N 3.44Å; V509-F512 PolarHBondContact O-N 3.25Å; F512-N514 PolarHBondContact O-N 3.49Å; F512-N514 VanDerWaalsContact O-N 3.11Å; F512-P517 HydrophobicContact CD1-CG 4.46Å
513	A	82.2	Confident	88.7	Confident	24 Å²	24	66.7 Å²	66.7	20%	0.198	35%	0.351	C	S	.	.	S	Bend	trans	-87.8	50.5	175.5	0	0	0	0	0	111.4	E481 V509	E481-A513 HydrophobicContact CG-CB 4.27Å; V509-A513 HydrophobicContact CB-CB 4.27Å; V509-A513 HydrophobicContact CG1-CB 3.97Å; V509-A513 HydrophobicContact CG2-CB 4.48Å; V509-A513 WeakPolarHBondContact O-CA 3.34Å; V509-A513 VanDerWaalsContact O-CB 3.29Å; V509-A513 WeakPolarHBondContact O-CB 3.31Å; V509-A513 PolarHBondContact O-N 3.3Å
514	N	89.6	Confident	89.4	Confident	34 Å²	34	60.6 Å²	60.6	18%	0.182	32%	0.323	C	S	.	.	S	Bend	trans	-156.3	169.2	177.7	72.8	75.4	0	0	0	109.3	A480 D510 F512 F516 P517	A480-N514 CarbonylContact O-C 3.15Å; A480-N514 VanDerWaalsContact O-CA 3.22Å; A480-N514 WeakPolarHBondContact O-CA 3.37Å; D510-N514 PolarHBondContact O-ND2 2.92Å; F512-N514 PolarHBondContact O-N 3.49Å; F512-N514 VanDerWaalsContact O-N 3.11Å; N514-F516 WeakPolarHBondContact OD1-CB 3.26Å; N514-F516 WeakPolarHBondContact OD1-CD2 3.21Å; N514-F516 PolarHBondContact OD1-N 3.41Å; N514-P517 WeakPolarHBondContact OD1-CD 3.13Å
515	P	92.1	Very high	90.1	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.019	34%	0.341	C	S	.	.	S	Bend	trans	-86.5	-12.1	-174	29.8	-28.4	0	0	0	114.5	A476 A480 A518 A519 I527	A476-P515 HydrophobicContact CB-CB 3.82Å; A480-P515 HydrophobicContact CB-CB 4.13Å; A480-P515 HydrophobicContact CB-CG 4.49Å; A480-P515 WeakPolarHBondContact O-CD 3.49Å; A480-P515 VanDerWaalsContact O-N 3.17Å; P515-A518 PolarHBondContact O-N 3.02Å; P515-A518 VanDerWaalsContact O-N 3.12Å; P515-A519 PolarHBondContact O-N 3.3Å; P515-I527 HydrophobicContact CB-CD1 4.11Å; P515-I527 HydrophobicContact CB-CG1 4.16Å; P515-I527 HydrophobicContact CG-CD1 3.85Å; P515-I527 HydrophobicContact CG-CG1 4.1Å; P515-I527 HydrophobicContact CG-CG2 4.19Å
516	F	94.6	Very high	90.8	Very high	132 Å²	132	63.8 Å²	63.8	58%	0.579	34%	0.342	S	S	*	.	H	α-helix	trans	-60.3	-40.7	-174.2	-66.7	-69.2	0	0	0	114.1	N514 A518 A519 V520 I527	N514-F516 WeakPolarHBondContact OD1-CB 3.26Å; N514-F516 WeakPolarHBondContact OD1-CD2 3.21Å; N514-F516 PolarHBondContact OD1-N 3.41Å; F516-A518 PolarHBondContact O-N 3.28Å; F516-A519 PolarHBondContact O-N 2.98Å; F516-V520 WeakPolarHBondContact O-CB 3.31Å; F516-V520 VanDerWaalsContact O-CG2 3.29Å; F516-V520 WeakPolarHBondContact O-CG2 3.1Å; F516-V520 PolarHBondContact O-N 3.29Å; F516-I527 HydrophobicContact CD1-CD1 3.74Å; F516-I527 HydrophobicContact CE1-CD1 3.79Å; F516-I527 HydrophobicContact CG-CD1 4.43Å
517	P	92.8	Very high	91.5	Very high	24 Å²	24	63.1 Å²	63.1	16%	0.156	33%	0.329	C	S	.	.	H	α-helix	trans	-55.8	-34	174.7	-29	35.2	0	0	0	114.2	K511 F512 N514 R521	K511-P517 VanDerWaalsContact O-CG 3.24Å; K511-P517 WeakPolarHBondContact O-CG 3.29Å; F512-P517 HydrophobicContact CD1-CG 4.46Å; N514-P517 WeakPolarHBondContact OD1-CD 3.13Å; P517-R521 WeakPolarHBondContact O-CD 3.33Å; P517-R521 WeakPolarHBondContact O-CG 3.47Å; P517-R521 PolarHBondContact O-NH1 3.32Å
518	A	94.5	Very high	92.1	Very high	5 Å²	5	59.2 Å²	59.2	4%	0.041	31%	0.311	C	S	.	.	H	α-helix	trans	-80.3	-42.1	177.1	0	0	0	0	0	111.7	V482 P515 F516 R521 G522 F523 V524	V482-A518 HydrophobicContact CB-CB 4.15Å; V482-A518 HydrophobicContact CG1-CB 4.03Å; V482-A518 HydrophobicContact CG2-CB 4.35Å; P515-A518 PolarHBondContact O-N 3.02Å; P515-A518 VanDerWaalsContact O-N 3.12Å; F516-A518 PolarHBondContact O-N 3.28Å; A518-R521 PolarHBondContact O-N 3.3Å; A518-G522 PolarHBondContact O-N 3.17Å; A518-F523 HydrophobicContact CB-CB 4.35Å; A518-F523 PolarHBondContact O-N 3.14Å; A518-V524 HydrophobicContact CB-CB 4.42Å; A518-V524 HydrophobicContact CB-CG2 3.84Å
519	A	95.4	Very high	92.7	Very high	29 Å²	29	64.3 Å²	64.3	24%	0.24	34%	0.335	C	S	.	.	H	α-helix	trans	-65	-44.8	178.7	0	0	0	0	0	112.8	P515 F516 R521 G522 V524 I527	P515-A519 PolarHBondContact O-N 3.3Å; F516-A519 PolarHBondContact O-N 2.98Å; A519-R521 PolarHBondContact O-N 3.39Å; A519-R521 VanDerWaalsContact O-N 3.11Å; A519-G522 PolarHBondContact O-N 2.9Å; A519-V524 HydrophobicContact CB-CB 4.37Å; A519-V524 HydrophobicContact CB-CG1 4.49Å; A519-I527 HydrophobicContact CB-CD1 3.85Å; A519-I527 HydrophobicContact CB-CG1 4.22Å
520	V	95.8	Very high	93.4	Very high	123 Å²	123	61.7 Å²	61.7	75%	0.745	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-22.3	176.8	171.6	0	0	0	0	112.4	F516	F516-V520 WeakPolarHBondContact O-CB 3.31Å; F516-V520 VanDerWaalsContact O-CG2 3.29Å; F516-V520 WeakPolarHBondContact O-CG2 3.1Å; F516-V520 PolarHBondContact O-N 3.29Å
521	R	95.8	Very high	94.1	Very high	152 Å²	152	56 Å²	56	57%	0.574	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-2	175.8	-68.2	174.9	174.6	74.2	0.9	113.6	P517 A518 A519 F523	P517-R521 WeakPolarHBondContact O-CD 3.33Å; P517-R521 WeakPolarHBondContact O-CG 3.47Å; P517-R521 PolarHBondContact O-NH1 3.32Å; A518-R521 PolarHBondContact O-N 3.3Å; A519-R521 PolarHBondContact O-N 3.39Å; A519-R521 VanDerWaalsContact O-N 3.11Å; R521-F523 VanDerWaalsContact C-N 3.29Å; R521-F523 HydrophobicContact CB-CD1 3.86Å; R521-F523 HydrophobicContact CB-CD2 4.02Å; R521-F523 HydrophobicContact CB-CE1 3.75Å; R521-F523 HydrophobicContact CB-CE2 3.92Å; R521-F523 HydrophobicContact CB-CG 3.99Å; R521-F523 HydrophobicContact CB-CZ 3.79Å; R521-F523 HydrophobicContact CG-CE2 4.46Å; R521-F523 HydrophobicContact CG-CZ 4.43Å; R521-F523 VanDerWaalsContact O-CD1 3.28Å; R521-F523 WeakPolarHBondContact O-CD1 3.5Å; R521-F523 WeakPolarHBondContact O-CE1 3.25Å; R521-F523 PolarHBondContact O-N 2.93Å
522	G	96.3	Very high	94.8	Very high	41 Å²	41	52 Å²	52	42%	0.423	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	23.8	-175	0	0	0	0	0	113.9	K467 A518 A519	K467-G522 WeakPolarHBondContact CD-O 3.28Å; A518-G522 PolarHBondContact O-N 3.17Å; A519-G522 PolarHBondContact O-N 2.9Å
523	F	97.1	Very high	95.7	Very high	73 Å²	73	48 Å²	48	32%	0.32	26%	0.257	S	S	.	.	S	Bend	trans	-87.5	-27.5	176.3	-57	-10.1	0	0	0	111.5	K467 H468 A518 R521	K467-F523 WeakPolarHBondContact CB-O 3.43Å; H468-F523 AromaticContact CE1-CD1 3.6Å; H468-F523 AromaticContact CE1-CD2 3.79Å; H468-F523 AromaticContact CE1-CE1 3.78Å; H468-F523 AromaticContact CE1-CE2 3.95Å; H468-F523 AromaticContact CE1-CG 3.62Å; H468-F523 AromaticContact CE1-CZ 3.95Å; H468-F523 AromaticContact NE2-CD2 3.79Å; H468-F523 AromaticContact NE2-CG 3.97Å; A518-F523 HydrophobicContact CB-CB 4.35Å; A518-F523 PolarHBondContact O-N 3.14Å; R521-F523 VanDerWaalsContact C-N 3.29Å; R521-F523 HydrophobicContact CB-CD1 3.86Å; R521-F523 HydrophobicContact CB-CD2 4.02Å; R521-F523 HydrophobicContact CB-CE1 3.75Å; R521-F523 HydrophobicContact CB-CE2 3.92Å; R521-F523 HydrophobicContact CB-CG 3.99Å; R521-F523 HydrophobicContact CB-CZ 3.79Å; R521-F523 HydrophobicContact CG-CE2 4.46Å; R521-F523 HydrophobicContact CG-CZ 4.43Å; R521-F523 VanDerWaalsContact O-CD1 3.28Å; R521-F523 WeakPolarHBondContact O-CD1 3.5Å; R521-F523 WeakPolarHBondContact O-CE1 3.25Å; R521-F523 PolarHBondContact O-N 2.93Å
524	V	97.6	Very high	96.4	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.018	25%	0.247	C	C	.	.	S	Bend	trans	-110.8	131.2	164.9	167.6	0	0	0	0	106.4	I452 N474 A476 A518 A519 D526 I527	I452-V524 HydrophobicContact CD1-CG2 4.31Å; N474-V524 CarbonylContact O-C 3.53Å; N474-V524 WeakPolarHBondContact O-CA 3.48Å; N474-V524 WeakPolarHBondContact O-CG1 3.45Å; A476-V524 HydrophobicContact CB-CG1 3.73Å; A476-V524 HydrophobicContact CB-CG2 4.23Å; A518-V524 HydrophobicContact CB-CB 4.42Å; A518-V524 HydrophobicContact CB-CG2 3.84Å; A519-V524 HydrophobicContact CB-CB 4.37Å; A519-V524 HydrophobicContact CB-CG1 4.49Å; V524-D526 VanDerWaalsContact CG1-O 3.31Å; V524-D526 WeakPolarHBondContact CG1-O 3.29Å; V524-I527 HydrophobicContact CG1-CG1 4.46Å
525	D	98.1	Very high	96.8	Very high	81 Å²	81	50.4 Å²	50.4	43%	0.433	26%	0.258	S	S	.	.	S	Bend	trans	-80.2	-34	-176.5	-57.5	-69.1	0	0	0	112.5	K467 V473 N474	K467-D525 VanDerWaalsContact CE-OD1 3.28Å; K467-D525 WeakPolarHBondContact CE-OD1 3.27Å; K467-D525 WeakPolarHBondContact CE-OD2 3.38Å; K467-D525 IonicContact NZ-OD1 2.62Å; K467-D525 PolarHBondContact NZ-OD1 3.27Å; K467-D525 IonicContact NZ-OD2 4Å; K467-D525 PolarHBondContact NZ-OD2 3.43Å; V473-D525 WeakPolarHBondContact CA-OD2 3.35Å; N474-D525 PolarHBondContact N-OD2 3.22Å; N474-D525 PolarHBondContact O-N 3.22Å
526	D	98.1	Very high	97.1	Very high	62 Å²	62	53 Å²	53	33%	0.332	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	147.6	-177.7	-169.5	12.8	0	0	0	110.9	Y475 A476 V524 I528 K536	Y475-D526 HydrophobicContact CD1-CB 3.87Å; Y475-D526 HydrophobicContact CE1-CB 3.83Å; A476-D526 PolarHBondContact N-O 3.18Å; A476-D526 VanDerWaalsContact N-O 3.16Å; V524-D526 VanDerWaalsContact CG1-O 3.31Å; V524-D526 WeakPolarHBondContact CG1-O 3.29Å; D526-I528 HydrophobicContact CB-CG2 4.11Å; D526-I528 WeakPolarHBondContact OD2-CG2 3.45Å; D526-K536 IonicContact OD2-NZ 3.57Å; D526-K536 PolarHBondContact OD2-NZ 2.9Å
527	I	98.3	Very high	97.3	Very high	49 Å²	49	46.7 Å²	46.7	25%	0.251	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	102	173.7	-60.8	162.6	0	0	0	106.6	A476 P515 F516 A519 V524	A476-I527 CarbonylContact O-C 3.57Å; A476-I527 WeakPolarHBondContact O-CA 3.36Å; P515-I527 HydrophobicContact CB-CD1 4.11Å; P515-I527 HydrophobicContact CB-CG1 4.16Å; P515-I527 HydrophobicContact CG-CD1 3.85Å; P515-I527 HydrophobicContact CG-CG1 4.1Å; P515-I527 HydrophobicContact CG-CG2 4.19Å; F516-I527 HydrophobicContact CD1-CD1 3.74Å; F516-I527 HydrophobicContact CE1-CD1 3.79Å; F516-I527 HydrophobicContact CG-CD1 4.43Å; A519-I527 HydrophobicContact CB-CD1 3.85Å; A519-I527 HydrophobicContact CB-CG1 4.22Å; V524-I527 HydrophobicContact CG1-CG1 4.46Å
528	I	98.4	Very high	97.6	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	24%	0.235	C	C	.	.			trans	-99.8	148.2	-168.9	64.5	172.1	0	0	0	111.9	Y475 A476 P478 D526 K536	Y475-I528 HydrophobicContact CD1-CD1 4.17Å; Y475-I528 HydrophobicContact CD1-CG1 4.43Å; Y475-I528 HydrophobicContact CD1-CG2 3.56Å; Y475-I528 HydrophobicContact CD2-CD1 4.25Å; Y475-I528 HydrophobicContact CE1-CG2 3.85Å; Y475-I528 HydrophobicContact CG-CD1 3.87Å; Y475-I528 HydrophobicContact CG-CG1 4.4Å; Y475-I528 HydrophobicContact CG-CG2 4.33Å; A476-I528 PolarHBondContact O-N 2.92Å; P478-I528 WeakPolarHBondContact CD-O 3.38Å; D526-I528 HydrophobicContact CB-CG2 4.11Å; D526-I528 WeakPolarHBondContact OD2-CG2 3.45Å; I528-K536 HydrophobicContact CD1-CB 4.4Å; I528-K536 HydrophobicContact CD1-CG 4.27Å; I528-K536 HydrophobicContact CG2-CD 4.1Å; I528-K536 HydrophobicContact CG2-CG 4.28Å
529	E	98.2	Very high	97.8	Very high	134 Å²	134	48.6 Å²	48.6	63%	0.626	26%	0.255	S	S	*	.			trans	-65.5	133.5	167.3	-71.6	-167.2	-173	0	0	110.4	A531 T532	E529-A531 VanDerWaalsContact C-N 3.32Å; E529-A531 PolarHBondContact O-N 2.71Å; E529-T532 HydrophobicContact CB-CG2 4.15Å; E529-T532 WeakPolarHBondContact O-CB 3.33Å; E529-T532 PolarHBondContact O-N 3.21Å; E529-T532 PolarHBondContact O-OG1 3.23Å
530	P	98.4	Very high	97.9	Very high	14 Å²	14	48.5 Å²	48.5	9%	0.091	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-52.2	-44.2	-173.7	-29.4	36.1	0	0	0	113.9	L324 W477 T532 T533	L324-P530 HydrophobicContact CB-CB 3.7Å; L324-P530 WeakPolarHBondContact CD1-O 3.49Å; L324-P530 WeakPolarHBondContact O-CB 3.26Å; W477-P530 HydrophobicContact CB-CG 4.33Å; W477-P530 HydrophobicContact CD2-CB 3.76Å; W477-P530 HydrophobicContact CD2-CG 3.77Å; W477-P530 HydrophobicContact CE3-CB 3.92Å; W477-P530 HydrophobicContact CE3-CG 3.91Å; W477-P530 HydrophobicContact CG-CB 4.33Å; W477-P530 HydrophobicContact CG-CG 3.96Å; W477-P530 HydrophobicContact CH2-CB 4.04Å; W477-P530 HydrophobicContact CZ2-CB 3.88Å; W477-P530 HydrophobicContact CZ3-CB 4.04Å; W477-P530 HydrophobicContact CZ3-CG 4.45Å; P530-T532 PolarHBondContact O-N 3.12Å; P530-T533 VanDerWaalsContact O-CB 3.28Å; P530-T533 WeakPolarHBondContact O-CB 3.08Å; P530-T533 PolarHBondContact O-N 2.99Å; P530-T533 VanDerWaalsContact O-N 3.07Å; P530-T533 PolarHBondContact O-OG1 3.11Å
531	A	98.4	Very high	98	Very high	5 Å²	5	43.1 Å²	43.1	4%	0.041	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-58	-18.8	177.1	0	0	0	0	0	115.2	L320 V321 D325 E529	L320-A531 WeakPolarHBondContact CA-O 3.47Å; V321-A531 PolarHBondContact N-O 2.87Å; V321-A531 WeakPolarHBondContact O-CA 3.24Å; D325-A531 VanDerWaalsContact OD1-CB 3.26Å; D325-A531 WeakPolarHBondContact OD1-CB 3.28Å; D325-A531 PolarHBondContact OD1-N 2.78Å; D325-A531 WeakPolarHBondContact OD2-CB 3.46Å; E529-A531 VanDerWaalsContact C-N 3.32Å; E529-A531 PolarHBondContact O-N 2.71Å
532	T	98.4	Very high	98	Very high	15 Å²	15	40.3 Å²	40.3	9%	0.092	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-88.9	-4.3	-180	72.6	0	0	0	0	114	L320 E529 P530 R534 R535 K536	L320-T532 HydrophobicContact CD2-CG2 3.99Å; E529-T532 HydrophobicContact CB-CG2 4.15Å; E529-T532 WeakPolarHBondContact O-CB 3.33Å; E529-T532 PolarHBondContact O-N 3.21Å; E529-T532 PolarHBondContact O-OG1 3.23Å; P530-T532 PolarHBondContact O-N 3.12Å; T532-R534 PolarHBondContact O-N 2.95Å; T532-R535 VanDerWaalsContact CG2-NH2 3.33Å; T532-R535 PolarHBondContact O-N 3.05Å; T532-K536 PolarHBondContact O-N 2.96Å; T532-K536 VanDerWaalsContact O-N 3.1Å
533	T	98.7	Very high	98	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.7	-47.4	-172	-60.2	0	0	0	0	113.6	I345 F413 V451 W477 P530 R535 K536 I537	I345-T533 HydrophobicContact CG2-CG2 4.46Å; F413-T533 HydrophobicContact CE1-CG2 4.4Å; V451-T533 HydrophobicContact CG1-CG2 4.33Å; V451-T533 HydrophobicContact CG2-CG2 4.16Å; W477-T533 PolarHBondContact NE1-OG1 3.03Å; P530-T533 VanDerWaalsContact O-CB 3.28Å; P530-T533 WeakPolarHBondContact O-CB 3.08Å; P530-T533 PolarHBondContact O-N 2.99Å; P530-T533 VanDerWaalsContact O-N 3.07Å; P530-T533 PolarHBondContact O-OG1 3.11Å; T533-R535 PolarHBondContact O-N 3.43Å; T533-K536 PolarHBondContact O-N 2.82Å; T533-I537 HydrophobicContact CG2-CD1 3.65Å; T533-I537 HydrophobicContact CG2-CG1 4.42Å; T533-I537 WeakPolarHBondContact O-CG1 3.37Å; T533-I537 PolarHBondContact O-N 3.2Å
534	R	98.4	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-57.2	-52.6	178.2	176.3	177.4	171.3	76.5	1.5	111.6	D315 P316 V321 I345 D347 M369 T532 K536 I537 C538	D315-R534 PolarHBondContact O-NH2 3.32Å; D315-R534 IonicContact OD1-CZ 3.85Å; D315-R534 IonicContact OD1-NE 3.06Å; D315-R534 IonicContact OD1-NH2 3.6Å; D315-R534 IonicContact OD2-CZ 2.77Å; D315-R534 IonicContact OD2-NH1 3.87Å; D315-R534 IonicContact OD2-NH2 2.77Å; P316-R534 PolarHBondContact O-NE 3.48Å; P316-R534 PolarHBondContact O-NH2 3.27Å; V321-R534 HydrophobicContact CG2-CB 4.08Å; I345-R534 HydrophobicContact CB-CB 4.29Å; I345-R534 HydrophobicContact CG2-CB 4.49Å; I345-R534 VanDerWaalsContact O-CD 3.29Å; I345-R534 WeakPolarHBondContact O-CD 3.43Å; I345-R534 WeakPolarHBondContact O-CG 3.39Å; I345-R534 PolarHBondContact O-NH1 3.48Å; D347-R534 IonicContact OD1-CZ 2.79Å; D347-R534 VanDerWaalsContact OD1-CZ 3.22Å; D347-R534 IonicContact OD1-NH1 2.69Å; D347-R534 PolarHBondContact OD1-NH1 2.9Å; D347-R534 IonicContact OD1-NH2 2.84Å; D347-R534 PolarHBondContact OD1-NH2 3.29Å; M369-R534 HydrophobicContact CE-CB 4.49Å; M369-R534 HydrophobicContact CE-CG 4.04Å; T532-R534 PolarHBondContact O-N 2.95Å; R534-K536 VanDerWaalsContact C-N 3.34Å; R534-K536 PolarHBondContact O-N 3.37Å; R534-I537 PolarHBondContact O-N 2.96Å; R534-C538 PolarHBondContact O-N 3.48Å; R534-C538 PolarHBondContact O-SG 2.88Å
535	R	98.3	Very high	97.9	Very high	107 Å²	107	43.8 Å²	43.8	40%	0.404	24%	0.235	S	C	.	.	H	α-helix	trans	-55.6	-45.7	179.7	179.8	-178.4	67.2	179.1	0.7	112.7	S317 D318 T532 T533 S539	S317-R535 VanDerWaalsContact O-CA 3.28Å; S317-R535 WeakPolarHBondContact O-CA 3.39Å; D318-R535 HydrophobicContact CB-CG 4.16Å; T532-R535 VanDerWaalsContact CG2-NH2 3.33Å; T532-R535 PolarHBondContact O-N 3.05Å; T533-R535 PolarHBondContact O-N 3.43Å; R535-S539 WeakPolarHBondContact O-CB 3.47Å; R535-S539 PolarHBondContact O-N 3.29Å; R535-S539 VanDerWaalsContact O-N 3.09Å
536	K	98.4	Very high	97.8	Very high	57 Å²	57	44.6 Å²	44.6	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-61.2	-53.8	177.7	-74.7	-88	-179.6	161.8	0	110.6	Y475 D526 I528 T532 T533 R534 C538 S539 D540	Y475-K536 HydrophobicContact CE1-CD 3.91Å; Y475-K536 HydrophobicContact CE2-CB 3.9Å; Y475-K536 WeakPolarHBondContact OH-CD 3.34Å; D526-K536 IonicContact OD2-NZ 3.57Å; D526-K536 PolarHBondContact OD2-NZ 2.9Å; I528-K536 HydrophobicContact CD1-CB 4.4Å; I528-K536 HydrophobicContact CD1-CG 4.27Å; I528-K536 HydrophobicContact CG2-CD 4.1Å; I528-K536 HydrophobicContact CG2-CG 4.28Å; T532-K536 PolarHBondContact O-N 2.96Å; T532-K536 VanDerWaalsContact O-N 3.1Å; T533-K536 PolarHBondContact O-N 2.82Å; R534-K536 VanDerWaalsContact C-N 3.34Å; R534-K536 PolarHBondContact O-N 3.37Å; K536-C538 PolarHBondContact O-N 3.35Å; K536-S539 WeakPolarHBondContact O-CB 3.24Å; K536-S539 PolarHBondContact O-N 3.06Å; K536-D540 VanDerWaalsContact O-CG 3.3Å; K536-D540 PolarHBondContact O-N 3.28Å; K536-D540 VanDerWaalsContact O-OD2 3.12Å
537	I	98.5	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-46.8	179	-65.6	168.4	0	0	0	112	I345 M369 I411 F413 I449 V451 T533 R534 S539 D540 L541	I345-I537 HydrophobicContact CD1-CD1 4.19Å; M369-I537 HydrophobicContact CE-CB 3.93Å; M369-I537 HydrophobicContact CE-CD1 4.47Å; M369-I537 HydrophobicContact CE-CG2 3.68Å; I411-I537 HydrophobicContact CD1-CG2 3.68Å; I411-I537 HydrophobicContact CG1-CG2 4.17Å; I411-I537 HydrophobicContact CG2-CD1 4.05Å; F413-I537 HydrophobicContact CZ-CD1 4.18Å; I449-I537 HydrophobicContact CD1-CG2 4.15Å; I449-I537 HydrophobicContact CG2-CG1 4.15Å; V451-I537 HydrophobicContact CG2-CD1 4.21Å; T533-I537 HydrophobicContact CG2-CD1 3.65Å; T533-I537 HydrophobicContact CG2-CG1 4.42Å; T533-I537 WeakPolarHBondContact O-CG1 3.37Å; T533-I537 PolarHBondContact O-N 3.2Å; R534-I537 PolarHBondContact O-N 2.96Å; I537-S539 PolarHBondContact O-N 3.4Å; I537-D540 PolarHBondContact O-N 2.94Å; I537-L541 HydrophobicContact CG2-CD1 3.77Å; I537-L541 HydrophobicContact CG2-CG 4.2Å; I537-L541 WeakPolarHBondContact O-CB 3.45Å; I537-L541 VanDerWaalsContact O-CG 3.26Å; I537-L541 WeakPolarHBondContact O-CG 3.28Å; I537-L541 PolarHBondContact O-N 3.07Å
538	C	98.3	Very high	97.6	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.02	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-45.6	178.5	-72.7	0	0	0	0	112.1	R534 K536 D540 L541 E542	R534-C538 PolarHBondContact O-N 3.48Å; R534-C538 PolarHBondContact O-SG 2.88Å; K536-C538 PolarHBondContact O-N 3.35Å; C538-D540 PolarHBondContact O-N 2.89Å; C538-L541 PolarHBondContact O-N 3.48Å; C538-E542 PolarHBondContact O-N 2.94Å
539	S	97.9	Very high	97.5	Very high	67 Å²	67	53.9 Å²	53.9	47%	0.469	28%	0.284	S	S	.	.	H	α-helix	trans	-60.5	-43.3	177	-174	0	0	0	0	112.1	R535 K536 I537 E542 V543	R535-S539 WeakPolarHBondContact O-CB 3.47Å; R535-S539 PolarHBondContact O-N 3.29Å; R535-S539 VanDerWaalsContact O-N 3.09Å; K536-S539 WeakPolarHBondContact O-CB 3.24Å; K536-S539 PolarHBondContact O-N 3.06Å; I537-S539 PolarHBondContact O-N 3.4Å; S539-E542 PolarHBondContact O-N 3.47Å; S539-V543 PolarHBondContact O-N 2.83Å
540	D	98.3	Very high	97.4	Very high	27 Å²	27	53.8 Å²	53.8	14%	0.144	29%	0.292	C	S	.	.	H	α-helix	trans	-71.3	-36.5	-179	-63.2	-35.5	0	0	0	112.1	I449 V473 Y475 K536 I537 C538 E542 V543 L544	I449-D540 HydrophobicContact CD1-CB 3.73Å; I449-D540 HydrophobicContact CG1-CB 4.41Å; V473-D540 HydrophobicContact CG2-CB 4.29Å; Y475-D540 WeakPolarHBondContact CE2-OD2 3.44Å; Y475-D540 VanDerWaalsContact CZ-OD2 3.22Å; Y475-D540 PolarHBondContact OH-OD2 2.98Å; K536-D540 VanDerWaalsContact O-CG 3.3Å; K536-D540 PolarHBondContact O-N 3.28Å; K536-D540 VanDerWaalsContact O-OD2 3.12Å; I537-D540 PolarHBondContact O-N 2.94Å; C538-D540 PolarHBondContact O-N 2.89Å; D540-E542 PolarHBondContact O-N 3.44Å; D540-V543 PolarHBondContact O-N 3.39Å; D540-L544 HydrophobicContact CB-CD1 4.46Å; D540-L544 VanDerWaalsContact O-CB 3.27Å; D540-L544 WeakPolarHBondContact O-CB 3.34Å; D540-L544 WeakPolarHBondContact O-CG 3.47Å; D540-L544 PolarHBondContact O-N 3.2Å
541	L	97.7	Very high	97.3	Very high	9 Å²	9	55.1 Å²	55.1	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-30.7	174.2	-73.2	172.2	0	0	0	112.5	M369 V374 P409 I449 I537 C538 A545	M369-L541 HydrophobicContact CB-CD1 3.68Å; M369-L541 HydrophobicContact CG-CD1 4.24Å; V374-L541 HydrophobicContact CG1-CD1 3.84Å; P409-L541 HydrophobicContact CB-CD2 3.56Å; P409-L541 HydrophobicContact CG-CD2 4.06Å; I449-L541 HydrophobicContact CD1-CD2 3.85Å; I449-L541 HydrophobicContact CD1-CG 3.8Å; I537-L541 HydrophobicContact CG2-CD1 3.77Å; I537-L541 HydrophobicContact CG2-CG 4.2Å; I537-L541 WeakPolarHBondContact O-CB 3.45Å; I537-L541 VanDerWaalsContact O-CG 3.26Å; I537-L541 WeakPolarHBondContact O-CG 3.28Å; I537-L541 PolarHBondContact O-N 3.07Å; C538-L541 PolarHBondContact O-N 3.48Å; L541-A545 PolarHBondContact O-N 2.89Å; L541-A545 VanDerWaalsContact O-N 3.14Å
542	E	96.1	Very high	97.3	Very high	93 Å²	93	59.8 Å²	59.8	44%	0.435	33%	0.328	S	S	.	.	H	α-helix	trans	-70.9	-43.8	174.4	-73.2	172.8	-162.3	0	0	111.8	N370 C538 S539 D540 A545	N370-E542 PolarHBondContact ND2-OE1 3.47Å; C538-E542 PolarHBondContact O-N 2.94Å; S539-E542 PolarHBondContact O-N 3.47Å; D540-E542 PolarHBondContact O-N 3.44Å; E542-A545 WeakPolarHBondContact O-CB 3.45Å
543	V	96.9	Very high	97.3	Very high	101 Å²	101	70.2 Å²	70.2	61%	0.612	37%	0.366	S	S	*	.	H	α-helix	trans	-65	-46.8	175.3	176.2	0	0	0	0	111.3	S539 D540 A545 S546	S539-V543 PolarHBondContact O-N 2.83Å; D540-V543 PolarHBondContact O-N 3.39Å; V543-A545 PolarHBondContact O-N 3.09Å; V543-S546 PolarHBondContact O-OG 3.24Å
544	L	97.5	Very high	97.3	Very high	27 Å²	27	74.6 Å²	74.6	14%	0.141	39%	0.385	C	S	.	.	H	α-helix	trans	-76.2	-6.2	-176.9	-63.2	171.2	0	0	0	113.6	P447 I449 D472 V473 D540 S546 K547	P447-L544 HydrophobicContact CB-CB 3.79Å; P447-L544 HydrophobicContact CB-CD1 4.08Å; P447-L544 HydrophobicContact CG-CB 3.91Å; I449-L544 HydrophobicContact CD1-CD1 4.37Å; I449-L544 HydrophobicContact CG1-CD1 4.12Å; D472-L544 HydrophobicContact CB-CD1 3.7Å; D472-L544 HydrophobicContact CB-CD2 3.8Å; D472-L544 HydrophobicContact CB-CG 4.44Å; V473-L544 HydrophobicContact CG2-CD1 4.38Å; D540-L544 HydrophobicContact CB-CD1 4.46Å; D540-L544 VanDerWaalsContact O-CB 3.27Å; D540-L544 WeakPolarHBondContact O-CB 3.34Å; D540-L544 WeakPolarHBondContact O-CG 3.47Å; D540-L544 PolarHBondContact O-N 3.2Å; L544-S546 PolarHBondContact O-N 3.48Å; L544-S546 VanDerWaalsContact O-N 3.08Å; L544-K547 WeakPolarHBondContact O-CB 3.46Å; L544-K547 PolarHBondContact O-N 3.48Å
545	A	94.9	Very high	97.3	Very high	63 Å²	63	83.8 Å²	83.8	52%	0.521	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-22.6	175.4	0	0	0	0	0	113.7	L541 E542 V543	L541-A545 PolarHBondContact O-N 2.89Å; L541-A545 VanDerWaalsContact O-N 3.14Å; E542-A545 WeakPolarHBondContact O-CB 3.45Å; V543-A545 PolarHBondContact O-N 3.09Å
546	S	95.1	Very high	97.3	Very high	98 Å²	98	85.6 Å²	85.6	69%	0.685	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.9	4.8	176.5	65.7	0	0	0	0	114.3	V543 L544 K548	V543-S546 PolarHBondContact O-OG 3.24Å; L544-S546 PolarHBondContact O-N 3.48Å; L544-S546 VanDerWaalsContact O-N 3.08Å; S546-K548 PolarHBondContact O-N 2.91Å
547	K	97.2	Very high	97.2	Very high	47 Å²	47	83.7 Å²	83.7	20%	0.204	43%	0.433	C	S	.	.			trans	-55.4	129.1	-179.5	-178.6	-176.7	179.4	-179.4	0	110.6	T445 V446 P447 D472 L544	T445-K547 WeakPolarHBondContact O-CD 3.44Å; T445-K547 WeakPolarHBondContact O-CE 3.32Å; T445-K547 PolarHBondContact O-NZ 3.36Å; V446-K547 PolarHBondContact O-NZ 2.83Å; P447-K547 HydrophobicContact CG-CB 4.46Å; P447-K547 HydrophobicContact CG-CD 4.3Å; D472-K547 WeakPolarHBondContact OD1-CD 3.44Å; D472-K547 WeakPolarHBondContact OD1-CE 3.34Å; D472-K547 IonicContact OD1-NZ 3.77Å; D472-K547 PolarHBondContact OD1-NZ 3.16Å; D472-K547 IonicContact OD2-NZ 3.95Å; D472-K547 PolarHBondContact OD2-NZ 2.76Å; L544-K547 WeakPolarHBondContact O-CB 3.46Å; L544-K547 PolarHBondContact O-N 3.48Å
548	K	95.8	Very high	97.2	Very high	200 Å²	200	90.9 Å²	90.9	87%	0.87	47%	0.471	S	S	*	.			trans	-131.5	121.8	171.1	-69.7	-178.4	-179.5	-180	0	109.1	S546	S546-K548 PolarHBondContact O-N 2.91Å
549	Q	95.6	Very high	97.2	Very high	65 Å²	65	92.3 Å²	92.3	30%	0.304	48%	0.478	S	S	.	.			trans	-141	135	-179.4	-179.2	172.3	-122.7	0	0	109	T445 R470	T445-Q549 HydrophobicContact CG2-CB 4.43Å; T445-Q549 HydrophobicContact CG2-CG 4.3Å; R470-Q549 VanDerWaalsContact CZ-CD 3.47Å; R470-Q549 VanDerWaalsContact NE-OE1 3.07Å; R470-Q549 VanDerWaalsContact NH2-CG 3.3Å
550	V	95.9	Very high	97.2	Very high	131 Å²	131	91.3 Å²	91.3	79%	0.794	47%	0.47	S	S	*	.			trans	-116.2	136	-176.4	-178.6	0	0	0	0	109.1
551	N	97.4	Very high	97.1	Very high	43 Å²	43	97.4 Å²	97.4	23%	0.23	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-90	154	173.3	-74	-26.1	0	0	0	110.9	E443 T445 R470 W553	E443-N551 PolarHBondContact O-ND2 3.31Å; T445-N551 WeakPolarHBondContact CG2-ND2 3.4Å; R470-N551 PolarHBondContact NH1-OD1 3.46Å; R470-N551 PolarHBondContact NH2-OD1 3.19Å; N551-W553 PolarHBondContact O-N 2.62Å
552	P	98.4	Very high	97.1	Very high	102 Å²	102	101.9 Å²	101.9	66%	0.662	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-54.1	133.3	174.8	-26.3	34.8	0	0	0	112.1	K554	P552-K554 VanDerWaalsContact O-CE 3.26Å; P552-K554 WeakPolarHBondContact O-CE 3.42Å
553	W	98.3	Very high	97.2	Very high	234 Å²	234	102.3 Å²	102.3	89%	0.886	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-59.5	135.9	-176.7	-179.8	89.7	0	0	0	112	N551	N551-W553 PolarHBondContact O-N 2.62Å
554	K	98.3	Very high	97.2	Very high	93 Å²	93	102.4 Å²	102.4	40%	0.404	53%	0.525	S	S	.	.			trans	-159.6	161.6	179.1	64.1	-171.3	78.2	165.1	0	108.7	P552 H556	P552-K554 VanDerWaalsContact O-CE 3.26Å; P552-K554 WeakPolarHBondContact O-CE 3.42Å; K554-H556 VanDerWaalsContact CD-O 3.28Å; K554-H556 WeakPolarHBondContact CD-O 3.49Å; K554-H556 WeakPolarHBondContact CG-O 3.28Å
555	K	98.1	Very high	97.2	Very high	192 Å²	192	106.8 Å²	106.8	84%	0.835	55%	0.547	S	S	*	.	S	Bend	trans	-63.4	-46.3	171	-70.7	-172.2	177.4	-175.9	0	111.7
556	H	98.3	Very high	97.3	Very high	145 Å²	145	109.6 Å²	109.6	67%	0.671	55%	0.549	S	S	*	.	S	Bend	trans	-163.7	172.1	172.5	51.8	82.3	0	0	0	109.6	K554	K554-H556 VanDerWaalsContact CD-O 3.28Å; K554-H556 WeakPolarHBondContact CD-O 3.49Å; K554-H556 WeakPolarHBondContact CG-O 3.28Å
557	A	97.4	Very high	97.4	Very high	18 Å²	18	110.3 Å²	110.3	15%	0.149	54%	0.54	C	S	.	.			trans	-62.7	156.7	168.4	0	0	0	0	0	112.7	Y439 E443	Y439-A557 HydrophobicContact CE1-CB 3.75Å; Y439-A557 VanDerWaalsContact OH-CB 3.24Å; Y439-A557 WeakPolarHBondContact OH-CB 3.21Å; E443-A557 WeakPolarHBondContact OE1-CB 3.34Å
558	N	98.1	Very high	97.5	Very high	150 Å²	150	114.9 Å²	114.9	80%	0.802	56%	0.564	S	S	*	*			trans	-117.6	63.8	164.6	-169.4	42.6	0	0	0	108.7
559	I	98.4	Very high	97.6	Very high	33 Å²	33	108.3 Å²	108.3	17%	0.169	54%	0.54	C	S	.	.			trans	-67.8	145.7	178.2	-169.8	171.8	0	0	0	110.1	Y439 L561	Y439-I559 HydrophobicContact CD1-CB 3.98Å; Y439-I559 HydrophobicContact CD1-CD1 3.71Å; Y439-I559 HydrophobicContact CD1-CG1 3.74Å; Y439-I559 HydrophobicContact CD2-CG1 4.36Å; Y439-I559 HydrophobicContact CE1-CB 4.08Å; Y439-I559 HydrophobicContact CE1-CG1 4.37Å; Y439-I559 HydrophobicContact CG-CB 4.24Å; Y439-I559 HydrophobicContact CG-CD1 4.05Å; Y439-I559 HydrophobicContact CG-CG1 3.75Å; I559-L561 HydrophobicContact CG2-CD2 4.13Å
560	P	98.3	Very high	97.8	Very high	46 Å²	46	111.9 Å²	111.9	30%	0.299	56%	0.56	S	S	.	*			trans	-57	142	169.3	-25.1	35.2	0	0	0	112.2	R432 A435 K436	R432-P560 HydrophobicContact CB-CB 4.16Å; R432-P560 WeakPolarHBondContact O-CB 3.24Å; A435-P560 HydrophobicContact CB-CG 4.22Å; K436-P560 WeakPolarHBondContact CE-O 3.37Å; K436-P560 HydrophobicContact CG-CB 4.43Å; K436-P560 WeakPolarHBondContact CG-O 3.49Å
561	L	96.5	Very high	97.9	Very high	156 Å²	156	110.2 Å²	110.2	82%	0.817	54%	0.539	S	S	*	.			trans	-113.3	0	-179.7	-58.9	-178.7	0	0	0	112.2	R432 H433 K436 I559	R432-L561 PolarHBondContact NH1-O 2.73Å; H433-L561 PolarHBondContact CE1-OXT 3.03Å; K436-L561 WeakPolarHBondContact CE-OXT 3.39Å; K436-L561 PolarHBondContact NZ-OXT 3.21Å; I559-L561 HydrophobicContact CG2-CD2 4.13Å

Retrieved 561 of 561 residues in 1094.7 ms (Link to these results)

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