A0A096NJJ8_PAPAN Loading...

Serpin family A member 4

AlphaFold DB , UniProt , Accession A0A096NJJ8, Species PAPAN (Papio anubis, Olive baboon), Gene SERPINA4, Length 428 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	49.2	Very low	49.5	Very low	222 Å²	222	150.4 Å²	150.4	100%	1.094	75%	0.751	S	S	*	*				0	113.9	0	-99.6	172.4	68	0	0	109
2	H	56.2	Low	49	Very low	145 Å²	145	147.4 Å²	147.4	67%	0.671	75%	0.746	S	S	*	*			trans	58.5	91.9	151.8	-57.9	-64.2	0	0	0	119.7
3	L	49.2	Very low	48.4	Very low	156 Å²	156	140.4 Å²	140.4	82%	0.817	73%	0.733	S	S	*	*	S	Bend		-166	-20	129.4	-132.8	81	0	0	0	113.3
4	I	52.7	Low	47.8	Very low	141 Å²	141	141.2 Å²	141.2	72%	0.723	74%	0.738	S	S	*	*	S	Bend	trans	-82.4	-31.8	-173.6	-64.1	175	0	0	0	112.5	Y6 L7	I4-Y6 VanDerWaalsContact C-N 3.3Å; I4-Y6 PolarHBondContact O-N 2.96Å; I4-L7 PolarHBondContact O-N 2.88Å
5	D	49.3	Very low	47.2	Very low	129 Å²	129	141.2 Å²	141.2	69%	0.69	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	-16.3	-176.6	-59.8	-39	0	0	0	114.4
6	Y	51.2	Low	46.7	Very low	185 Å²	185	137.6 Å²	137.6	73%	0.725	74%	0.735	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.7	-18.9	176.5	-107	-87.7	0	0	0	113.4	I4	I4-Y6 VanDerWaalsContact C-N 3.3Å; I4-Y6 PolarHBondContact O-N 2.96Å
7	L	49.3	Very low	46.1	Very low	131 Å²	131	139.7 Å²	139.7	69%	0.686	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-22.4	-178.1	-140.5	85.3	0	0	0	112.5	I4	I4-L7 PolarHBondContact O-N 2.88Å
8	L	47.1	Very low	45.7	Very low	139 Å²	139	136.7 Å²	136.7	73%	0.728	74%	0.737	S	S	*	*	S	Bend	trans	-83.6	-21	-179	-127.5	86.7	0	0	0	113.8
9	L	49.8	Very low	45.2	Very low	148 Å²	148	140 Å²	140	78%	0.775	75%	0.747	S	S	*	*	S	Bend	trans	-86.3	-16.2	-179.2	-96.8	150.9	0	0	0	114.2
10	L	44.9	Very low	44.3	Very low	130 Å²	130	137.1 Å²	137.1	68%	0.681	75%	0.751	S	S	*	*	S	Bend	trans	-90	-14.9	179.1	-117.3	143.6	0	0	0	113.6
11	L	45.7	Very low	43.7	Very low	128 Å²	128	139.5 Å²	139.5	67%	0.67	76%	0.757	S	S	*	*	S	Bend	trans	-88.4	-10.9	178.9	-106.5	128.2	0	0	0	114.4
12	V	43.2	Very low	42.7	Very low	115 Å²	115	136.1 Å²	136.1	70%	0.697	74%	0.743	S	S	*	*	S	Bend	trans	-93.3	-16.3	177.1	-178.6	0	0	0	0	112.3
13	G	41.8	Very low	41.3	Very low	56 Å²	56	136.1 Å²	136.1	58%	0.577	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-13.5	-178.7	0	0	0	0	0	116.2
14	L	39	Very low	40.2	Very low	152 Å²	152	135.5 Å²	135.5	80%	0.796	75%	0.745	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	0.6	-173.5	-94.6	150.9	0	0	0	114.7
15	L	39.5	Very low	38.9	Very low	141 Å²	141	135.5 Å²	135.5	74%	0.738	74%	0.742	S	S	*	*	S	Bend	trans	-108.4	7.2	177.7	-80.8	162	0	0	0	114.1
16	A	38.5	Very low	38	Very low	83 Å²	83	136.6 Å²	136.6	69%	0.686	74%	0.743	S	S	*	*	S	Bend	trans	-113.2	18	-176	0	0	0	0	0	115.3
17	L	37.1	Very low	36.8	Very low	174 Å²	174	135 Å²	135	91%	0.911	75%	0.747	S	S	*	*	S	Bend	trans	-116.5	6.2	173.1	-81.7	162.7	0	0	0	114
18	S	39.6	Very low	35.7	Very low	86 Å²	86	132.5 Å²	132.5	60%	0.601	75%	0.753	S	S	*	*	S	Bend	trans	-111.1	68.4	172.6	65.7	0	0	0	0	110.9
19	H	36	Very low	34.8	Very low	199 Å²	199	135.4 Å²	135.4	92%	0.921	76%	0.763	S	S	*	*			trans	174.4	114.8	149.4	-93.2	1.7	0	0	0	110.5
20	G	27.8	Very low	33.6	Very low	81 Å²	81	134 Å²	134	84%	0.835	77%	0.766	S	S	*	*			trans	-163.5	106.9	170	0	0	0	0	0	109.6
21	Q	31.1	Very low	32.7	Very low	189 Å²	189	133.6 Å²	133.6	88%	0.883	77%	0.772	S	S	*	*			trans	-71	147.8	-171.5	-82.5	161.8	-66.8	0	0	115.3
22	L	27.3	Very low	31.8	Very low	150 Å²	150	133 Å²	133	79%	0.785	78%	0.779	S	S	*	*				23.7	132.7	127	-93.8	136.7	0	0	0	122
23	H	26.6	Very low	31	Very low	145 Å²	145	135.4 Å²	135.4	67%	0.671	79%	0.787	S	S	*	*			trans	81.4	119.8	144.9	-110.9	-44.5	0	0	0	120.9
24	V	26.7	Very low	30.3	Very low	144 Å²	144	138.4 Å²	138.4	87%	0.873	80%	0.8	S	S	*	*				-159.8	133.9	121.2	170.6	0	0	0	0	109.3
25	E	26.3	Very low	29.8	Very low	141 Å²	141	137 Å²	137	66%	0.659	80%	0.803	S	S	*	*			trans	-82.4	146.3	169.8	-74.5	169.6	129.5	0	0	112.5
26	H	29.5	Very low	29.2	Very low	151 Å²	151	135.4 Å²	135.4	70%	0.699	80%	0.803	S	S	*	*				163.7	133.1	108.1	-106.6	-72.6	0	0	0	113.7
27	D	27.3	Very low	28.8	Very low	151 Å²	151	140.8 Å²	140.8	81%	0.807	81%	0.814	S	S	*	*			trans	53.2	133.4	144.7	-62	-16.1	0	0	0	125.4
28	G	25.3	Very low	28.3	Very low	79 Å²	79	143.3 Å²	143.3	81%	0.814	81%	0.811	S	S	*	*			trans	157.4	104.4	153.5	0	0	0	0	0	114.6
29	E	28.4	Very low	27.9	Very low	201 Å²	201	148.1 Å²	148.1	94%	0.939	82%	0.824	S	S	*	*			trans	-53.4	146.3	178.7	-66.3	170.3	126.3	0	0	116
30	S	24.6	Very low	27.6	Very low	119 Å²	119	145.5 Å²	145.5	83%	0.832	82%	0.816	S	S	*	*			trans	-176.1	123.6	133.7	172.1	0	0	0	0	111.8
31	C	25.6	Very low	28.2	Very low	121 Å²	121	148.8 Å²	148.8	82%	0.818	81%	0.813	S	S	*	*			trans	-63.3	141.4	171	-74.2	0	0	0	0	113.1
32	S	26.2	Very low	28.2	Very low	116 Å²	116	148.9 Å²	148.9	81%	0.811	81%	0.814	S	S	*	*				172.8	125.7	124.5	44.5	0	0	0	0	113.9
33	N	28.1	Very low	28.9	Very low	164 Å²	164	147.7 Å²	147.7	88%	0.877	81%	0.813	S	S	*	*			trans	6.6	121.6	156	-64.5	-17.3	0	0	0	120.8
34	S	25.7	Very low	29.6	Very low	119 Å²	119	144.1 Å²	144.1	83%	0.832	82%	0.815	S	S	*	*				-163.5	115.9	116	54.6	0	0	0	0	111.1	S36	S34-S36 PolarHBondContact O-N 3.34Å
35	S	28.1	Very low	30.2	Very low	123 Å²	123	147 Å²	147	86%	0.86	82%	0.819	S	S	*	*			trans	-80.5	107.2	173.6	51.8	0	0	0	0	110
36	S	27	Very low	31.9	Very low	108 Å²	108	143.2 Å²	143.2	76%	0.755	82%	0.818	S	S	*	*			trans	-103.1	97.7	161.3	60.5	0	0	0	0	109.3	S34 R38	S34-S36 PolarHBondContact O-N 3.34Å; S36-R38 PolarHBondContact O-N 3.38Å
37	H	30.6	Very low	34.3	Very low	195 Å²	195	137.6 Å²	137.6	90%	0.903	80%	0.796	S	S	*	*			trans	-62	104.3	163.9	-91.5	-31.9	0	0	0	109.1
38	R	27	Very low	37.4	Very low	228 Å²	228	132 Å²	132	86%	0.86	77%	0.768	S	S	*	*			trans	-113.9	84.5	162.9	-136.1	178	-170.7	179.7	2.2	106.3	S36 I40	S36-R38 PolarHBondContact O-N 3.38Å; R38-I40 PolarHBondContact O-N 3.18Å
39	Q	30.7	Very low	40.6	Very low	187 Å²	187	128.3 Å²	128.3	87%	0.874	73%	0.729	S	S	*	*			trans	-75.3	105.9	171.1	-143.5	166.9	8.1	0	0	106.5	L41	Q39-L41 PolarHBondContact O-N 3.44Å
40	I	31	Very low	43.7	Very low	144 Å²	144	122.5 Å²	122.5	74%	0.738	70%	0.704	S	S	*	*			trans	-64.3	126.6	178.7	-69.2	169.2	0	0	0	107.6	R38 E42	R38-I40 PolarHBondContact O-N 3.18Å; I40-E42 PolarHBondContact O-N 3.32Å; I40-E42 VanDerWaalsContact O-N 3.15Å
41	L	39.4	Very low	47	Very low	150 Å²	150	121.7 Å²	121.7	79%	0.785	69%	0.686	S	S	*	*			trans	-60.7	106.7	168.9	-135.4	86.4	0	0	0	107.7	Q39 T43	Q39-L41 PolarHBondContact O-N 3.44Å; L41-T43 PolarHBondContact O-N 3.04Å; L41-T43 VanDerWaalsContact O-N 3.15Å
42	E	31.3	Very low	50.4	Low	191 Å²	191	116 Å²	116	89%	0.893	65%	0.647	S	S	*	*			trans	-73.6	101.5	169.5	-77.1	-177	165.8	0	0	109	I40	I40-E42 PolarHBondContact O-N 3.32Å; I40-E42 VanDerWaalsContact O-N 3.15Å
43	T	41	Very low	53.7	Low	125 Å²	125	110.9 Å²	110.9	77%	0.767	61%	0.612	S	S	*	*			trans	-95.6	126.6	164.9	43.8	0	0	0	0	110.3	L41	L41-T43 PolarHBondContact O-N 3.04Å; L41-T43 VanDerWaalsContact O-N 3.15Å
44	G	41.1	Very low	56.9	Low	70 Å²	70	107.2 Å²	107.2	72%	0.722	60%	0.597	S	S	*	*	S	Bend	trans	107.2	111.1	163.2	0	0	0	0	0	112.5
45	E	39.8	Very low	60.3	Low	204 Å²	204	102.1 Å²	102.1	95%	0.953	56%	0.562	S	S	*	*	S	Bend	trans	70.6	62.1	179	-58.6	-175.6	157.6	0	0	115.9
46	G	61.5	Low	63.6	Low	61 Å²	61	96.5 Å²	96.5	63%	0.629	52%	0.522	S	S	*	.			trans	173.2	-7.2	173.1	0	0	0	0	0	119.1
47	S	81.8	Confident	66.9	Low	34 Å²	34	92 Å²	92	24%	0.238	49%	0.492	C	S	.	.			trans	-67.8	127.4	-177.1	179.5	0	0	0	0	112.1	S49 L50 H124	S47-S49 PolarHBondContact O-N 3.49Å; S47-S49 VanDerWaalsContact O-N 3.16Å; S47-S49 PolarHBondContact OG-OG 3.37Å; S47-S49 VanDerWaalsContact OG-OG 3.09Å; S47-L50 PolarHBondContact O-N 2.93Å; S47-H124 PolarHBondContact OG-CE1 2.86Å; S47-H124 PolarHBondContact OG-ND1 3.22Å
48	P	90.7	Very high	70.1	Confident	34 Å²	34	85.5 Å²	85.5	22%	0.221	46%	0.464	C	S	.	.	H	α-helix	trans	-54.9	-35	179.5	-27.4	34.9	0	0	0	113.7	L50 K51 R120 G121 H124	P48-L50 VanDerWaalsContact C-N 3.3Å; P48-L50 PolarHBondContact O-N 3Å; P48-K51 PolarHBondContact O-N 3.48Å; P48-R120 HydrophobicContact CB-CB 4.5Å; P48-G121 WeakPolarHBondContact O-CA 3.42Å; P48-H124 HydrophobicContact CB-CB 4.14Å; P48-H124 HydrophobicContact CG-CB 4.39Å
49	S	92.5	Very high	73.5	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.007	42%	0.423	C	S	.	.	H	α-helix	trans	-69.1	-26.1	-179.4	51.4	0	0	0	0	113.4	S47 K51 I52 A53 H124	S47-S49 PolarHBondContact O-N 3.49Å; S47-S49 VanDerWaalsContact O-N 3.16Å; S47-S49 PolarHBondContact OG-OG 3.37Å; S47-S49 VanDerWaalsContact OG-OG 3.09Å; S49-K51 VanDerWaalsContact C-N 3.31Å; S49-K51 PolarHBondContact O-N 3.4Å; S49-I52 WeakPolarHBondContact O-CG1 3.44Å; S49-I52 PolarHBondContact O-N 2.99Å; S49-A53 PolarHBondContact O-N 3.01Å; S49-H124 PolarHBondContact OG-ND1 2.96Å
50	L	93.3	Very high	76.7	Confident	78 Å²	78	65.8 Å²	65.8	41%	0.408	38%	0.381	S	S	.	.	H	α-helix	trans	-70.6	-28.6	177.2	-69.3	174	0	0	0	112.2	S47 P48 I52 A53 P54 Q414	S47-L50 PolarHBondContact O-N 2.93Å; P48-L50 VanDerWaalsContact C-N 3.3Å; P48-L50 PolarHBondContact O-N 3Å; L50-I52 VanDerWaalsContact C-N 3.27Å; L50-I52 PolarHBondContact O-N 3.46Å; L50-A53 PolarHBondContact O-N 3.03Å; L50-P54 WeakPolarHBondContact O-CD 3.33Å; L50-Q414 HydrophobicContact CD2-CB 4.17Å; L50-Q414 HydrophobicContact CD2-CG 3.91Å
51	K	94.4	Very high	79.9	Confident	103 Å²	103	59.4 Å²	59.4	45%	0.448	35%	0.348	S	S	.	.	H	α-helix	trans	-63.9	-33.2	176	-64.1	-171.4	-178.4	-174.7	0	112.5	P48 S49 L113 D117	P48-K51 PolarHBondContact O-N 3.48Å; S49-K51 VanDerWaalsContact C-N 3.31Å; S49-K51 PolarHBondContact O-N 3.4Å; K51-L113 HydrophobicContact CB-CD2 4.15Å; K51-L113 HydrophobicContact CD-CD2 4.16Å; K51-D117 IonicContact NZ-OD1 2.91Å; K51-D117 PolarHBondContact NZ-OD1 2.93Å
52	I	96.4	Very high	82.7	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-95.3	-11.4	-177.2	63.2	163.4	0	0	0	113.7	S49 L50 A55 N56 F108 F122 L125	S49-I52 WeakPolarHBondContact O-CG1 3.44Å; S49-I52 PolarHBondContact O-N 2.99Å; L50-I52 VanDerWaalsContact C-N 3.27Å; L50-I52 PolarHBondContact O-N 3.46Å; I52-A55 PolarHBondContact O-N 2.8Å; I52-N56 PolarHBondContact O-N 3.03Å; I52-N56 VanDerWaalsContact O-N 3.11Å; I52-N56 PolarHBondContact O-ND2 3.02Å; I52-F108 HydrophobicContact CB-CE1 3.66Å; I52-F108 HydrophobicContact CB-CZ 4.14Å; I52-F108 HydrophobicContact CG2-CE1 3.68Å; I52-F108 HydrophobicContact CG2-CZ 4.26Å; I52-F122 HydrophobicContact CD1-CB 4.42Å; I52-F122 HydrophobicContact CD1-CD1 3.93Å; I52-F122 HydrophobicContact CD1-CD2 3.96Å; I52-F122 HydrophobicContact CD1-CE1 4.12Å; I52-F122 HydrophobicContact CD1-CE2 4.14Å; I52-F122 HydrophobicContact CD1-CG 3.84Å; I52-F122 HydrophobicContact CD1-CZ 4.21Å; I52-L125 HydrophobicContact CD1-CD1 4Å
53	A	95.4	Very high	85.8	Confident	9 Å²	9	47 Å²	47	7%	0.074	28%	0.283	C	S	.	.	H	α-helix	trans	-60.1	-42	-176.4	0	0	0	0	0	113.4	S49 L50 N56 A57 Q414	S49-A53 PolarHBondContact O-N 3.01Å; L50-A53 PolarHBondContact O-N 3.03Å; A53-N56 PolarHBondContact O-N 3.31Å; A53-A57 WeakPolarHBondContact O-CB 3.49Å; A53-A57 PolarHBondContact O-N 3.33Å; A53-Q414 HydrophobicContact CB-CB 4.44Å
54	P	95.9	Very high	88.6	Confident	88 Å²	88	41.2 Å²	41.2	57%	0.571	25%	0.247	S	C	*	.	H	α-helix	trans	-61.7	-47.6	178.1	-24.9	35.8	0	0	0	113.4	L50 N56 A57 D58	L50-P54 WeakPolarHBondContact O-CD 3.33Å; P54-N56 PolarHBondContact O-N 3.39Å; P54-A57 PolarHBondContact O-N 3.34Å; P54-A57 VanDerWaalsContact O-N 3.17Å; P54-D58 PolarHBondContact O-N 3.5Å
55	A	97.2	Very high	91.2	Very high	11 Å²	11	43.9 Å²	43.9	9%	0.091	24%	0.236	C	C	.	.	H	α-helix	trans	-61.7	-43.5	178.4	0	0	0	0	0	111.8	I52 A57 D58 F59 G107 F108	I52-A55 PolarHBondContact O-N 2.8Å; A55-A57 VanDerWaalsContact C-N 3.29Å; A55-A57 PolarHBondContact O-N 2.94Å; A55-D58 PolarHBondContact O-N 2.81Å; A55-F59 WeakPolarHBondContact O-CB 3.35Å; A55-F59 PolarHBondContact O-N 2.83Å; A55-G107 WeakPolarHBondContact CB-O 3.22Å; A55-F108 HydrophobicContact CB-CD1 3.44Å; A55-F108 VanDerWaalsContact CB-CD1 3.44Å; A55-F108 HydrophobicContact CB-CE1 3.44Å; A55-F108 VanDerWaalsContact CB-CE1 3.44Å; A55-F108 HydrophobicContact CB-CG 4.18Å; A55-F108 HydrophobicContact CB-CZ 4.19Å
56	N	97.1	Very high	94	Very high	6 Å²	6	35.5 Å²	35.5	3%	0.032	20%	0.197	C	C	.	.	H	α-helix	trans	-63.2	-35.2	175.7	-75.9	-30.7	0	0	0	112.8	I52 A53 P54 A60 S84 F122	I52-N56 PolarHBondContact O-N 3.03Å; I52-N56 VanDerWaalsContact O-N 3.11Å; I52-N56 PolarHBondContact O-ND2 3.02Å; A53-N56 PolarHBondContact O-N 3.31Å; P54-N56 PolarHBondContact O-N 3.39Å; N56-A60 PolarHBondContact O-N 3.34Å; N56-A60 VanDerWaalsContact O-N 3.11Å; N56-S84 VanDerWaalsContact OD1-CB 3.23Å; N56-S84 WeakPolarHBondContact OD1-CB 3.3Å; N56-S84 PolarHBondContact OD1-OG 2.7Å; N56-F122 WeakPolarHBondContact OD1-CZ 3.45Å
57	A	96.9	Very high	95.7	Very high	13 Å²	13	33 Å²	33	11%	0.107	17%	0.169	C	C	.	.	H	α-helix	trans	-69.6	-46.1	174.4	0	0	0	0	0	111.3	A53 P54 A55 F59 A60 F61 P296	A53-A57 WeakPolarHBondContact O-CB 3.49Å; A53-A57 PolarHBondContact O-N 3.33Å; P54-A57 PolarHBondContact O-N 3.34Å; P54-A57 VanDerWaalsContact O-N 3.17Å; A55-A57 VanDerWaalsContact C-N 3.29Å; A55-A57 PolarHBondContact O-N 2.94Å; A57-F59 VanDerWaalsContact C-N 3.34Å; A57-F59 PolarHBondContact O-N 2.95Å; A57-A60 VanDerWaalsContact O-CB 3.26Å; A57-A60 WeakPolarHBondContact O-CB 3.4Å; A57-A60 PolarHBondContact O-N 2.95Å; A57-A60 VanDerWaalsContact O-N 3.1Å; A57-F61 WeakPolarHBondContact O-CD2 3.26Å; A57-F61 PolarHBondContact O-N 2.92Å; A57-P296 HydrophobicContact CB-CB 3.98Å; A57-P296 HydrophobicContact CB-CG 4.1Å
58	D	97.3	Very high	96.4	Very high	59 Å²	59	31.8 Å²	31.8	32%	0.316	16%	0.162	S	C	.	.	H	α-helix	trans	-54.4	-50.1	174.6	174.7	65.6	0	0	0	111.4	P54 A55 A60 F61 R62	P54-D58 PolarHBondContact O-N 3.5Å; A55-D58 PolarHBondContact O-N 2.81Å; D58-A60 VanDerWaalsContact C-N 3.28Å; D58-A60 PolarHBondContact O-N 2.92Å; D58-F61 PolarHBondContact O-N 2.98Å; D58-R62 WeakPolarHBondContact O-CG 3.4Å; D58-R62 PolarHBondContact O-N 3.32Å; D58-R62 WeakPolarHBondContact OD1-CD 3.35Å; D58-R62 WeakPolarHBondContact OD2-CD 3.4Å; D58-R62 IonicContact OD2-CZ 2.83Å; D58-R62 IonicContact OD2-NE 3.49Å; D58-R62 IonicContact OD2-NH1 3.09Å; D58-R62 PolarHBondContact OD2-NH1 2.78Å
59	F	98.3	Very high	96.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-57	-41.3	176.1	177.2	-101.3	0	0	0	112.4	A55 A57 F61 R62 F63 I83 S84 L106 L334 L337 F339	A55-F59 WeakPolarHBondContact O-CB 3.35Å; A55-F59 PolarHBondContact O-N 2.83Å; A57-F59 VanDerWaalsContact C-N 3.34Å; A57-F59 PolarHBondContact O-N 2.95Å; F59-F61 PolarHBondContact O-N 2.88Å; F59-R62 PolarHBondContact O-N 2.86Å; F59-F63 HydrophobicContact CE1-CD2 4.47Å; F59-F63 HydrophobicContact CZ-CB 4.5Å; F59-F63 AromaticContact CZ-CD2 3.92Å; F59-F63 HydrophobicContact CZ-CD2 3.92Å; F59-F63 VanDerWaalsContact O-CB 3.27Å; F59-F63 WeakPolarHBondContact O-CB 3.28Å; F59-F63 PolarHBondContact O-N 3.5Å; F59-I83 HydrophobicContact CE1-CB 4.09Å; F59-I83 HydrophobicContact CE1-CG2 3.75Å; F59-I83 HydrophobicContact CZ-CG2 3.7Å; F59-S84 VanDerWaalsContact CD1-OG 3.26Å; F59-S84 WeakPolarHBondContact CD1-OG 3.45Å; F59-L106 HydrophobicContact CD1-CD2 4.39Å; F59-L106 HydrophobicContact CD2-CD2 4.09Å; F59-L106 HydrophobicContact CE1-CD2 4.33Å; F59-L106 HydrophobicContact CE2-CD2 4.04Å; F59-L106 HydrophobicContact CG-CD2 4.27Å; F59-L106 HydrophobicContact CZ-CD2 4.17Å; F59-L334 HydrophobicContact CE2-CD2 4.17Å; F59-L334 HydrophobicContact CZ-CD2 4Å; F59-L337 HydrophobicContact CE2-CD1 4.2Å; F59-F339 HydrophobicContact CE2-CE2 4.11Å; F59-F339 HydrophobicContact CE2-CZ 4.25Å
60	A	98.3	Very high	96.6	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-55.9	-50.7	177.4	0	0	0	0	0	112.1	N56 A57 D58 Y64 F78 P80 V416 L419	N56-A60 PolarHBondContact O-N 3.34Å; N56-A60 VanDerWaalsContact O-N 3.11Å; A57-A60 VanDerWaalsContact O-CB 3.26Å; A57-A60 WeakPolarHBondContact O-CB 3.4Å; A57-A60 PolarHBondContact O-N 2.95Å; A57-A60 VanDerWaalsContact O-N 3.1Å; D58-A60 VanDerWaalsContact C-N 3.28Å; D58-A60 PolarHBondContact O-N 2.92Å; A60-Y64 WeakPolarHBondContact O-CB 3.31Å; A60-Y64 PolarHBondContact O-N 3.11Å; A60-F78 WeakPolarHBondContact O-CZ 3.23Å; A60-P80 HydrophobicContact CB-CB 3.4Å; A60-P80 VanDerWaalsContact CB-CB 3.4Å; A60-P80 HydrophobicContact CB-CG 3.34Å; A60-V416 HydrophobicContact CB-CB 4.37Å; A60-V416 HydrophobicContact CB-CG1 4.44Å; A60-L419 HydrophobicContact CB-CD2 4.18Å; A60-L419 WeakPolarHBondContact O-CD2 3.49Å
61	F	97.8	Very high	96.5	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.048	19%	0.185	C	C	.	.	H	α-helix	trans	-75.6	-34.9	-176.2	-65.9	-72.9	0	0	0	112.6	A57 D58 F59 Y64 Y65 L294 P296 L299 L419	A57-F61 WeakPolarHBondContact O-CD2 3.26Å; A57-F61 PolarHBondContact O-N 2.92Å; D58-F61 PolarHBondContact O-N 2.98Å; F59-F61 PolarHBondContact O-N 2.88Å; F61-Y64 PolarHBondContact O-N 3.04Å; F61-Y65 WeakPolarHBondContact O-CB 3.16Å; F61-Y65 PolarHBondContact O-N 2.89Å; F61-L294 HydrophobicContact CD1-CB 4.47Å; F61-L294 HydrophobicContact CD1-CD2 3.97Å; F61-L294 HydrophobicContact CD1-CG 3.67Å; F61-L294 WeakPolarHBondContact CD1-O 3.31Å; F61-L294 HydrophobicContact CE1-CD1 4.11Å; F61-L294 HydrophobicContact CE1-CD2 3.97Å; F61-L294 HydrophobicContact CE1-CG 3.58Å; F61-L294 WeakPolarHBondContact CG-O 3.37Å; F61-P296 HydrophobicContact CD2-CB 4.35Å; F61-P296 VanDerWaalsContact CD2-CD 3.48Å; F61-P296 HydrophobicContact CD2-CG 3.66Å; F61-P296 HydrophobicContact CE2-CB 4.28Å; F61-P296 HydrophobicContact CE2-CG 4.08Å; F61-L299 HydrophobicContact CE2-CD2 4.47Å; F61-L299 HydrophobicContact CZ-CB 4.08Å; F61-L299 HydrophobicContact CZ-CD2 4.04Å; F61-L419 HydrophobicContact CD1-CD2 3.93Å; F61-L419 HydrophobicContact CE1-CD1 4.31Å; F61-L419 HydrophobicContact CE1-CD2 4.07Å
62	R	97.9	Very high	96.3	Very high	81 Å²	81	35.1 Å²	35.1	31%	0.306	19%	0.192	S	C	.	.	H	α-helix	trans	-61.2	-45.3	171.2	-75.6	166.3	58.2	-158.6	-6.7	112.1	D58 F59 Y65 L66 G105 L337	D58-R62 WeakPolarHBondContact O-CG 3.4Å; D58-R62 PolarHBondContact O-N 3.32Å; D58-R62 WeakPolarHBondContact OD1-CD 3.35Å; D58-R62 WeakPolarHBondContact OD2-CD 3.4Å; D58-R62 IonicContact OD2-CZ 2.83Å; D58-R62 IonicContact OD2-NE 3.49Å; D58-R62 IonicContact OD2-NH1 3.09Å; D58-R62 PolarHBondContact OD2-NH1 2.78Å; F59-R62 PolarHBondContact O-N 2.86Å; R62-Y65 PolarHBondContact O-N 3Å; R62-L66 PolarHBondContact O-N 3.35Å; R62-L66 VanDerWaalsContact O-N 3.11Å; R62-G105 PolarHBondContact NH2-O 3.3Å; R62-L337 HydrophobicContact CB-CD2 4.33Å; R62-L337 PolarHBondContact NH2-O 3.22Å
63	F	98.3	Very high	96	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-46.4	176	-170	-77.8	0	0	0	111	F59 Y65 L66 I67 F78 I83 L330 I333 L334 L337	F59-F63 HydrophobicContact CE1-CD2 4.47Å; F59-F63 HydrophobicContact CZ-CB 4.5Å; F59-F63 AromaticContact CZ-CD2 3.92Å; F59-F63 HydrophobicContact CZ-CD2 3.92Å; F59-F63 VanDerWaalsContact O-CB 3.27Å; F59-F63 WeakPolarHBondContact O-CB 3.28Å; F59-F63 PolarHBondContact O-N 3.5Å; F63-Y65 PolarHBondContact O-N 2.96Å; F63-L66 PolarHBondContact O-N 3.35Å; F63-I67 HydrophobicContact CD1-CG1 3.83Å; F63-I67 HydrophobicContact CE1-CD1 4.08Å; F63-I67 HydrophobicContact CE1-CG1 3.53Å; F63-I67 HydrophobicContact CZ-CD1 4.3Å; F63-I67 HydrophobicContact CZ-CG1 4.24Å; F63-I67 WeakPolarHBondContact O-CG1 3.17Å; F63-I67 PolarHBondContact O-N 2.96Å; F63-I67 VanDerWaalsContact O-N 3.11Å; F63-F78 HydrophobicContact CB-CE2 3.99Å; F63-F78 HydrophobicContact CB-CZ 4.03Å; F63-F78 HydrophobicContact CD1-CD1 4.06Å; F63-F78 AromaticContact CD1-CD2 3.71Å; F63-F78 HydrophobicContact CD1-CD2 3.71Å; F63-F78 AromaticContact CD1-CE1 3.77Å; F63-F78 HydrophobicContact CD1-CE1 3.77Å; F63-F78 AromaticContact CD1-CE2 3.36Å; F63-F78 HydrophobicContact CD1-CE2 3.36Å; F63-F78 HydrophobicContact CD1-CG 4.05Å; F63-F78 AromaticContact CD1-CZ 3.41Å; F63-F78 HydrophobicContact CD1-CZ 3.41Å; F63-F78 VanDerWaalsContact CD1-CZ 3.41Å; F63-F78 HydrophobicContact CE1-CD1 4.15Å; F63-F78 AromaticContact CE1-CD2 3.9Å; F63-F78 HydrophobicContact CE1-CD2 3.9Å; F63-F78 HydrophobicContact CE1-CE1 4.31Å; F63-F78 HydrophobicContact CE1-CE2 4.05Å; F63-F78 AromaticContact CE1-CG 3.96Å; F63-F78 HydrophobicContact CE1-CG 3.96Å; F63-F78 HydrophobicContact CE1-CZ 4.27Å; F63-F78 HydrophobicContact CG-CD2 4.42Å; F63-F78 AromaticContact CG-CE2 3.85Å; F63-F78 HydrophobicContact CG-CE2 3.85Å; F63-F78 HydrophobicContact CG-CZ 4.09Å; F63-I83 HydrophobicContact CE1-CD1 4.49Å; F63-I83 HydrophobicContact CE2-CD1 4.14Å; F63-I83 HydrophobicContact CZ-CD1 4.08Å; F63-L330 HydrophobicContact CE2-CD2 3.8Å; F63-L330 HydrophobicContact CZ-CD2 3.82Å; F63-I333 HydrophobicContact CD2-CG2 4.41Å; F63-I333 HydrophobicContact CE2-CG2 3.7Å; F63-I333 HydrophobicContact CZ-CD1 4.49Å; F63-I333 HydrophobicContact CZ-CG2 3.96Å; F63-L334 HydrophobicContact CD2-CD2 4Å; F63-L334 HydrophobicContact CE2-CD2 3.86Å; F63-L337 HydrophobicContact CB-CD1 4.07Å; F63-L337 HydrophobicContact CD2-CD1 3.66Å; F63-L337 HydrophobicContact CG-CD1 4.24Å
64	Y	98.3	Very high	96	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.008	24%	0.243	C	C	.	.	H	α-helix	trans	-57.7	-48.8	177.1	177.3	-88.2	0	0	0	112.1	A60 F61 L66 I67 A68 I76 F78 E291 L294 L405 L419 K421	A60-Y64 WeakPolarHBondContact O-CB 3.31Å; A60-Y64 PolarHBondContact O-N 3.11Å; F61-Y64 PolarHBondContact O-N 3.04Å; Y64-L66 VanDerWaalsContact C-N 3.32Å; Y64-L66 PolarHBondContact O-N 3.44Å; Y64-I67 PolarHBondContact O-N 3.41Å; Y64-A68 HydrophobicContact CD1-CB 4.44Å; Y64-A68 HydrophobicContact CE1-CB 3.98Å; Y64-A68 VanDerWaalsContact O-CB 3.3Å; Y64-A68 WeakPolarHBondContact O-CB 3.2Å; Y64-A68 PolarHBondContact O-N 2.86Å; Y64-I76 HydrophobicContact CD2-CG2 4.07Å; Y64-I76 HydrophobicContact CE2-CB 4.39Å; Y64-I76 HydrophobicContact CE2-CD1 4.18Å; Y64-I76 HydrophobicContact CE2-CG2 4.1Å; Y64-F78 HydrophobicContact CD2-CE1 4.18Å; Y64-E291 HydrophobicContact CE1-CB 4.39Å; Y64-E291 HydrophobicContact CE1-CG 3.96Å; Y64-E291 PolarHBondContact OH-OE1 3.19Å; Y64-L294 HydrophobicContact CD1-CD2 4.02Å; Y64-L294 HydrophobicContact CE1-CD2 3.96Å; Y64-L405 HydrophobicContact CE2-CD2 4.45Å; Y64-L405 WeakPolarHBondContact OH-CD2 3.33Å; Y64-L419 HydrophobicContact CD2-CD1 4.33Å; Y64-L419 HydrophobicContact CD2-CD2 4.09Å; Y64-L419 HydrophobicContact CD2-CG 3.76Å; Y64-L419 HydrophobicContact CG-CD2 3.94Å; Y64-L419 HydrophobicContact CG-CG 4.14Å; Y64-K421 HydrophobicContact CE2-CB 4.25Å; Y64-K421 WeakPolarHBondContact OH-CB 3.36Å
65	Y	97.2	Very high	96	Very high	127 Å²	127	41 Å²	41	50%	0.498	23%	0.225	S	C	.	.	H	α-helix	trans	-60	-42	-179	-177	-95.9	0	0	0	112	F61 R62 F63 A68 S69	F61-Y65 WeakPolarHBondContact O-CB 3.16Å; F61-Y65 PolarHBondContact O-N 2.89Å; R62-Y65 PolarHBondContact O-N 3Å; F63-Y65 PolarHBondContact O-N 2.96Å; Y65-A68 PolarHBondContact O-N 2.94Å; Y65-S69 WeakPolarHBondContact O-CB 3.18Å; Y65-S69 PolarHBondContact O-N 3.33Å; Y65-S69 PolarHBondContact O-OG 3.5Å
66	L	97.3	Very high	96	Very high	27 Å²	27	40.5 Å²	40.5	14%	0.141	22%	0.221	C	C	.	.	H	α-helix	trans	-58.7	-51.9	175	-174.1	102.3	0	0	0	111.3	R62 F63 Y64 A68 S69 E70 I333 R336 L337	R62-L66 PolarHBondContact O-N 3.35Å; R62-L66 VanDerWaalsContact O-N 3.11Å; F63-L66 PolarHBondContact O-N 3.35Å; Y64-L66 VanDerWaalsContact C-N 3.32Å; Y64-L66 PolarHBondContact O-N 3.44Å; L66-A68 PolarHBondContact O-N 3.07Å; L66-S69 PolarHBondContact O-N 3.3Å; L66-E70 WeakPolarHBondContact O-CG 3.48Å; L66-E70 PolarHBondContact O-N 3.19Å; L66-E70 VanDerWaalsContact O-N 3.12Å; L66-I333 HydrophobicContact CD2-CG2 3.44Å; L66-I333 VanDerWaalsContact CD2-CG2 3.44Å; L66-R336 HydrophobicContact CD1-CB 3.69Å; L66-R336 HydrophobicContact CD2-CB 4.49Å; L66-L337 HydrophobicContact CB-CD2 4.34Å; L66-L337 HydrophobicContact CD1-CD2 4.21Å; L66-L337 HydrophobicContact CD2-CD1 4.49Å; L66-L337 HydrophobicContact CD2-CG 4.35Å
67	I	97.6	Very high	96	Very high	8 Å²	8	40.2 Å²	40.2	4%	0.041	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-42	-179.2	-61.1	-56.2	0	0	0	111.8	F63 Y64 S69 E70 T71 I76 Y328 I333	F63-I67 HydrophobicContact CD1-CG1 3.83Å; F63-I67 HydrophobicContact CE1-CD1 4.08Å; F63-I67 HydrophobicContact CE1-CG1 3.53Å; F63-I67 HydrophobicContact CZ-CD1 4.3Å; F63-I67 HydrophobicContact CZ-CG1 4.24Å; F63-I67 WeakPolarHBondContact O-CG1 3.17Å; F63-I67 PolarHBondContact O-N 2.96Å; F63-I67 VanDerWaalsContact O-N 3.11Å; Y64-I67 PolarHBondContact O-N 3.41Å; I67-S69 VanDerWaalsContact C-N 3.27Å; I67-S69 PolarHBondContact O-N 3.5Å; I67-E70 PolarHBondContact O-N 2.79Å; I67-T71 PolarHBondContact O-N 3.22Å; I67-T71 PolarHBondContact O-OG1 3.11Å; I67-I76 HydrophobicContact CB-CD1 4.49Å; I67-I76 HydrophobicContact CG2-CD1 3.91Å; I67-I76 HydrophobicContact CG2-CG1 3.91Å; I67-I76 HydrophobicContact CG2-CG2 4.02Å; I67-Y328 HydrophobicContact CD1-CD1 4.06Å; I67-Y328 HydrophobicContact CD1-CE1 4.01Å; I67-Y328 HydrophobicContact CG1-CE1 4.06Å; I67-Y328 HydrophobicContact CG2-CE1 3.88Å; I67-I333 HydrophobicContact CD1-CD1 4Å; I67-I333 HydrophobicContact CD1-CG1 4.35Å; I67-I333 HydrophobicContact CD1-CG2 3.95Å
68	A	96.1	Very high	96.1	Very high	9 Å²	9	39.6 Å²	39.6	7%	0.074	21%	0.214	C	C	.	.	H	α-helix	trans	-62.2	-35.9	178.6	0	0	0	0	0	112.3	Y64 Y65 L66 I76	Y64-A68 HydrophobicContact CD1-CB 4.44Å; Y64-A68 HydrophobicContact CE1-CB 3.98Å; Y64-A68 VanDerWaalsContact O-CB 3.3Å; Y64-A68 WeakPolarHBondContact O-CB 3.2Å; Y64-A68 PolarHBondContact O-N 2.86Å; Y65-A68 PolarHBondContact O-N 2.94Å; L66-A68 PolarHBondContact O-N 3.07Å; A68-I76 HydrophobicContact CB-CD1 3.83Å
69	S	94.8	Very high	96.1	Very high	70 Å²	70	36.8 Å²	36.8	49%	0.49	20%	0.199	S	C	.	.	H	α-helix	trans	-70.7	-36.9	176.1	-59.6	0	0	0	0	112.6	Y65 L66 I67	Y65-S69 WeakPolarHBondContact O-CB 3.18Å; Y65-S69 PolarHBondContact O-N 3.33Å; Y65-S69 PolarHBondContact O-OG 3.5Å; L66-S69 PolarHBondContact O-N 3.3Å; I67-S69 VanDerWaalsContact C-N 3.27Å; I67-S69 PolarHBondContact O-N 3.5Å
70	E	92.7	Very high	96.1	Very high	79 Å²	79	36.8 Å²	36.8	37%	0.369	20%	0.199	S	C	.	.	H	α-helix	trans	-81.5	-30	-177.2	-72	176.6	-166.9	0	0	113.9	L66 I67 P72 R336	L66-E70 WeakPolarHBondContact O-CG 3.48Å; L66-E70 PolarHBondContact O-N 3.19Å; L66-E70 VanDerWaalsContact O-N 3.12Å; I67-E70 PolarHBondContact O-N 2.79Å; E70-P72 VanDerWaalsContact C-CD 3.45Å; E70-P72 WeakPolarHBondContact O-CD 3.3Å; E70-R336 IonicContact OE1-CZ 2.68Å; E70-R336 VanDerWaalsContact OE1-CZ 3.29Å; E70-R336 IonicContact OE1-NE 3.86Å; E70-R336 IonicContact OE1-NH1 3.45Å; E70-R336 PolarHBondContact OE1-NH1 2.98Å; E70-R336 IonicContact OE2-CZ 3.83Å; E70-R336 IonicContact OE2-NH1 3.13Å; E70-R336 PolarHBondContact OE2-NH1 2.83Å; E70-R336 IonicContact OE2-NH2 3.59Å
71	T	91.8	Very high	96	Very high	43 Å²	43	36.9 Å²	36.9	26%	0.264	20%	0.2	S	C	.	.	S	Bend	trans	-128.8	62.7	-174.7	55.4	0	0	0	0	111.8	I67 G73 K74	I67-T71 PolarHBondContact O-N 3.22Å; I67-T71 PolarHBondContact O-OG1 3.11Å; T71-G73 PolarHBondContact O-N 3.25Å; T71-K74 HydrophobicContact CG2-CD 4.31Å; T71-K74 PolarHBondContact O-N 3.49Å
72	P	89.9	Confident	95.9	Very high	94 Å²	94	36.4 Å²	36.4	61%	0.61	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	139.4	179.2	27.2	-34.8	0	0	0	110.2	E70 K74	E70-P72 VanDerWaalsContact C-CD 3.45Å; E70-P72 WeakPolarHBondContact O-CD 3.3Å; P72-K74 VanDerWaalsContact C-N 3.29Å; P72-K74 PolarHBondContact O-N 3.43Å
73	G	89.9	Confident	95.9	Very high	56 Å²	56	32.5 Å²	32.5	58%	0.577	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	8.6	178.8	0	0	0	0	0	115.7	T71 V423	T71-G73 PolarHBondContact O-N 3.25Å; G73-V423 WeakPolarHBondContact O-CG1 3.5Å
74	K	94.9	Very high	95.9	Very high	130 Å²	130	32.5 Å²	32.5	57%	0.565	18%	0.183	S	C	*	.	S	Bend	trans	-100.3	154.8	172	-61.2	-164.5	-175.9	176.3	0	112	T71 P72 V423	T71-K74 HydrophobicContact CG2-CD 4.31Å; T71-K74 PolarHBondContact O-N 3.49Å; P72-K74 VanDerWaalsContact C-N 3.29Å; P72-K74 PolarHBondContact O-N 3.43Å; K74-V423 WeakPolarHBondContact O-CG2 3.5Å
75	N	97	Very high	95.9	Very high	35 Å²	35	32.5 Å²	32.5	19%	0.187	18%	0.183	C	C	.	.			trans	-60.2	141.2	165.4	-71.3	-10.9	0	0	0	109.3	K421 V423 D424 K427	N75-K421 WeakPolarHBondContact CA-O 3.31Å; N75-V423 WeakPolarHBondContact OD1-CA 3.49Å; N75-V423 PolarHBondContact OD1-N 3.48Å; N75-D424 PolarHBondContact ND2-O 3.22Å; N75-D424 PolarHBondContact OD1-N 2.71Å; N75-K427 PolarHBondContact ND2-O 3.32Å
76	I	97.8	Very high	95.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.8	175.9	-60.3	174.7	0	0	0	105.9	Y64 I67 A68 F78 G420 K421	Y64-I76 HydrophobicContact CD2-CG2 4.07Å; Y64-I76 HydrophobicContact CE2-CB 4.39Å; Y64-I76 HydrophobicContact CE2-CD1 4.18Å; Y64-I76 HydrophobicContact CE2-CG2 4.1Å; I67-I76 HydrophobicContact CB-CD1 4.49Å; I67-I76 HydrophobicContact CG2-CD1 3.91Å; I67-I76 HydrophobicContact CG2-CG1 3.91Å; I67-I76 HydrophobicContact CG2-CG2 4.02Å; A68-I76 HydrophobicContact CB-CD1 3.83Å; I76-F78 HydrophobicContact CG2-CD1 4.06Å; I76-F78 HydrophobicContact CG2-CE1 4.23Å; I76-G420 CarbonylContact O-C 3.49Å; I76-G420 WeakPolarHBondContact O-CA 3.43Å; I76-K421 HydrophobicContact CB-CB 4.21Å; I76-K421 PolarHBondContact N-O 2.98Å; I76-K421 PolarHBondContact O-N 2.96Å
77	F	97.1	Very high	95.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	120.1	171.2	-164.5	-108.3	0	0	0	111.4	I324 G326 Y328 A367 L369 F418	F77-I324 HydrophobicContact CB-CD1 3.91Å; F77-I324 HydrophobicContact CB-CG1 4.21Å; F77-I324 HydrophobicContact CD1-CD1 4.47Å; F77-I324 HydrophobicContact CD1-CG1 4.35Å; F77-I324 HydrophobicContact CD2-CD1 3.44Å; F77-I324 VanDerWaalsContact CD2-CD1 3.44Å; F77-I324 HydrophobicContact CD2-CG1 4.18Å; F77-I324 HydrophobicContact CE2-CD1 4.09Å; F77-I324 HydrophobicContact CG-CD1 3.67Å; F77-I324 HydrophobicContact CG-CG1 3.97Å; F77-G326 VanDerWaalsContact O-CA 3.3Å; F77-G326 WeakPolarHBondContact O-CA 3.19Å; F77-Y328 PolarHBondContact N-OH 3.34Å; F77-Y328 VanDerWaalsContact O-CE2 3.3Å; F77-Y328 WeakPolarHBondContact O-CE2 3.38Å; F77-A367 HydrophobicContact CD1-CB 3.78Å; F77-A367 HydrophobicContact CE1-CB 3.96Å; F77-L369 HydrophobicContact CD1-CB 4.12Å; F77-L369 HydrophobicContact CE1-CB 3.4Å; F77-L369 HydrophobicContact CE2-CB 3.96Å; F77-L369 HydrophobicContact CE2-CD2 3.73Å; F77-L369 HydrophobicContact CE2-CG 4.45Å; F77-L369 HydrophobicContact CZ-CB 3.31Å; F77-L369 HydrophobicContact CZ-CD1 4.46Å; F77-L369 HydrophobicContact CZ-CD2 3.78Å; F77-L369 HydrophobicContact CZ-CG 4.04Å; F77-F418 HydrophobicContact CD1-CD1 4.38Å; F77-F418 HydrophobicContact CE1-CB 4.42Å; F77-F418 AromaticContact CE1-CD1 3.35Å; F77-F418 HydrophobicContact CE1-CD1 3.35Å; F77-F418 AromaticContact CE1-CE1 3.78Å; F77-F418 HydrophobicContact CE1-CE1 3.78Å; F77-F418 HydrophobicContact CE1-CG 4.11Å; F77-F418 HydrophobicContact CE2-CB 3.8Å; F77-F418 HydrophobicContact CE2-CD1 4.27Å; F77-F418 HydrophobicContact CE2-CG 4.32Å; F77-F418 HydrophobicContact CZ-CB 3.52Å; F77-F418 AromaticContact CZ-CD1 3.27Å; F77-F418 HydrophobicContact CZ-CD1 3.27Å; F77-F418 HydrophobicContact CZ-CE1 4.04Å; F77-F418 AromaticContact CZ-CG 3.53Å; F77-F418 HydrophobicContact CZ-CG 3.53Å
78	F	97.6	Very high	95.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	171.8	178.9	69.3	-79	0	0	0	111.4	A60 F63 Y64 I76 P80 I83 Y328 F418 L419	A60-F78 WeakPolarHBondContact O-CZ 3.23Å; F63-F78 HydrophobicContact CB-CE2 3.99Å; F63-F78 HydrophobicContact CB-CZ 4.03Å; F63-F78 HydrophobicContact CD1-CD1 4.06Å; F63-F78 AromaticContact CD1-CD2 3.71Å; F63-F78 HydrophobicContact CD1-CD2 3.71Å; F63-F78 AromaticContact CD1-CE1 3.77Å; F63-F78 HydrophobicContact CD1-CE1 3.77Å; F63-F78 AromaticContact CD1-CE2 3.36Å; F63-F78 HydrophobicContact CD1-CE2 3.36Å; F63-F78 HydrophobicContact CD1-CG 4.05Å; F63-F78 AromaticContact CD1-CZ 3.41Å; F63-F78 HydrophobicContact CD1-CZ 3.41Å; F63-F78 VanDerWaalsContact CD1-CZ 3.41Å; F63-F78 HydrophobicContact CE1-CD1 4.15Å; F63-F78 AromaticContact CE1-CD2 3.9Å; F63-F78 HydrophobicContact CE1-CD2 3.9Å; F63-F78 HydrophobicContact CE1-CE1 4.31Å; F63-F78 HydrophobicContact CE1-CE2 4.05Å; F63-F78 AromaticContact CE1-CG 3.96Å; F63-F78 HydrophobicContact CE1-CG 3.96Å; F63-F78 HydrophobicContact CE1-CZ 4.27Å; F63-F78 HydrophobicContact CG-CD2 4.42Å; F63-F78 AromaticContact CG-CE2 3.85Å; F63-F78 HydrophobicContact CG-CE2 3.85Å; F63-F78 HydrophobicContact CG-CZ 4.09Å; Y64-F78 HydrophobicContact CD2-CE1 4.18Å; I76-F78 HydrophobicContact CG2-CD1 4.06Å; I76-F78 HydrophobicContact CG2-CE1 4.23Å; F78-P80 HydrophobicContact CD2-CG 4.08Å; F78-P80 HydrophobicContact CE2-CB 4.08Å; F78-P80 HydrophobicContact CE2-CG 3.55Å; F78-P80 HydrophobicContact CZ-CG 4.18Å; F78-I83 HydrophobicContact CD2-CD1 3.96Å; F78-Y328 HydrophobicContact CB-CD2 4.26Å; F78-Y328 HydrophobicContact CB-CE2 3.67Å; F78-F418 WeakPolarHBondContact O-CA 3.46Å; F78-L419 WeakPolarHBondContact CD1-O 3.47Å; F78-L419 HydrophobicContact CE1-CB 4.15Å; F78-L419 HydrophobicContact CE1-CD2 4.45Å; F78-L419 HydrophobicContact CE1-CG 4.27Å; F78-L419 HydrophobicContact CZ-CB 4.13Å; F78-L419 HydrophobicContact CZ-CD2 4.09Å; F78-L419 HydrophobicContact CZ-CG 4.33Å; F78-L419 PolarHBondContact N-O 3.01Å; F78-L419 VanDerWaalsContact N-O 3.08Å; F78-L419 PolarHBondContact O-N 2.87Å
79	S	97.7	Very high	96	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.147	C	C	.	.			trans	-114.5	102.1	175.5	179.1	0	0	0	0	109.4	L81 S82 I83 I214 H365 L417	S79-L81 PolarHBondContact O-N 3.33Å; S79-S82 PolarHBondContact O-N 3.09Å; S79-S82 WeakPolarHBondContact OG-CB 3.41Å; S79-S82 PolarHBondContact OG-N 3.49Å; S79-I83 WeakPolarHBondContact O-CG1 3.47Å; S79-I83 PolarHBondContact O-N 2.92Å; S79-I214 VanDerWaalsContact CB-CG2 3.48Å; S79-H365 PolarHBondContact N-NE2 3.03Å; S79-H365 VanDerWaalsContact N-NE2 3.15Å; S79-L417 WeakPolarHBondContact CA-O 3.29Å; S79-L417 VanDerWaalsContact CB-O 3.27Å; S79-L417 WeakPolarHBondContact CB-O 3.38Å; S79-L417 PolarHBondContact OG-O 3.29Å
80	P	97.6	Very high	96.1	Very high	1 Å²	1	21 Å²	21	1%	0.006	12%	0.124	C	C	.	.	H	α-helix	trans	-56.3	-44.2	177.3	-19.9	27.6	0	0	0	111.3	A60 F78 S82 I83 S84 V416 L419	A60-P80 HydrophobicContact CB-CB 3.4Å; A60-P80 VanDerWaalsContact CB-CB 3.4Å; A60-P80 HydrophobicContact CB-CG 3.34Å; F78-P80 HydrophobicContact CD2-CG 4.08Å; F78-P80 HydrophobicContact CE2-CB 4.08Å; F78-P80 HydrophobicContact CE2-CG 3.55Å; F78-P80 HydrophobicContact CZ-CG 4.18Å; P80-S82 PolarHBondContact O-N 2.94Å; P80-I83 PolarHBondContact O-N 2.76Å; P80-S84 PolarHBondContact O-N 3.38Å; P80-S84 PolarHBondContact O-OG 3.19Å; P80-S84 VanDerWaalsContact O-OG 3.13Å; P80-V416 HydrophobicContact CG-CB 4.4Å; P80-V416 HydrophobicContact CG-CG1 3.97Å; P80-L419 HydrophobicContact CG-CB 4.13Å
81	L	96.2	Very high	96.3	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-59.6	-45.4	-179.5	176.1	63.2	0	0	0	113.1	S79 I83 S84 A85 F122 L125 I129 V140 L417	S79-L81 PolarHBondContact O-N 3.33Å; L81-I83 VanDerWaalsContact C-N 3.33Å; L81-I83 PolarHBondContact O-N 2.71Å; L81-S84 PolarHBondContact O-N 3.23Å; L81-A85 VanDerWaalsContact O-CB 3.29Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.4Å; L81-F122 HydrophobicContact CD1-CE1 4.35Å; L81-L125 HydrophobicContact CD1-CD1 3.76Å; L81-L125 HydrophobicContact CD1-CD2 3.53Å; L81-L125 HydrophobicContact CD1-CG 4.32Å; L81-L125 HydrophobicContact CD2-CD2 3.6Å; L81-L125 HydrophobicContact CG-CD2 4.15Å; L81-I129 HydrophobicContact CD2-CD1 3.71Å; L81-V140 HydrophobicContact CD2-CG2 4.09Å; L81-V140 HydrophobicContact CG-CG2 4.4Å; L81-L417 HydrophobicContact CD2-CD2 3.63Å
82	S	96.1	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.4	-41.1	179.6	-179.3	0	0	0	0	111.5	S79 P80 A86 N212 Y213	S79-S82 PolarHBondContact O-N 3.09Å; S79-S82 WeakPolarHBondContact OG-CB 3.41Å; S79-S82 PolarHBondContact OG-N 3.49Å; P80-S82 PolarHBondContact O-N 2.94Å; S82-A86 WeakPolarHBondContact O-CB 3.35Å; S82-A86 PolarHBondContact O-N 3.44Å; S82-N212 PolarHBondContact OG-ND2 3.06Å; S82-Y213 PolarHBondContact OG-N 2.96Å; S82-Y213 PolarHBondContact OG-O 2.69Å
83	I	98.1	Very high	96.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.9	-51	175.7	-61.3	171.6	0	0	0	109.8	F59 F63 F78 S79 P80 L81 A85 A86 Y87 N212 L330 H365	F59-I83 HydrophobicContact CE1-CB 4.09Å; F59-I83 HydrophobicContact CE1-CG2 3.75Å; F59-I83 HydrophobicContact CZ-CG2 3.7Å; F63-I83 HydrophobicContact CE1-CD1 4.49Å; F63-I83 HydrophobicContact CE2-CD1 4.14Å; F63-I83 HydrophobicContact CZ-CD1 4.08Å; F78-I83 HydrophobicContact CD2-CD1 3.96Å; S79-I83 WeakPolarHBondContact O-CG1 3.47Å; S79-I83 PolarHBondContact O-N 2.92Å; P80-I83 PolarHBondContact O-N 2.76Å; L81-I83 VanDerWaalsContact C-N 3.33Å; L81-I83 PolarHBondContact O-N 2.71Å; I83-A85 VanDerWaalsContact C-N 3.33Å; I83-A85 PolarHBondContact O-N 3.05Å; I83-A86 PolarHBondContact O-N 3.06Å; I83-Y87 HydrophobicContact CG2-CD2 4.03Å; I83-Y87 HydrophobicContact CG2-CE2 4.22Å; I83-Y87 VanDerWaalsContact O-CD2 3.3Å; I83-Y87 WeakPolarHBondContact O-CD2 3.41Å; I83-Y87 PolarHBondContact O-N 2.9Å; I83-N212 PolarHBondContact N-ND2 3.23Å; I83-L330 HydrophobicContact CD1-CD2 4.09Å; I83-L330 HydrophobicContact CG1-CD1 4.17Å; I83-L330 HydrophobicContact CG2-CD1 4.08Å; I83-H365 HydrophobicContact CD1-CB 4.41Å; I83-H365 HydrophobicContact CG1-CB 4.25Å
84	S	98.1	Very high	97.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.7	-43.3	-179.9	-60.9	0	0	0	0	112.6	N56 F59 P80 L81 Y87 A88	N56-S84 VanDerWaalsContact OD1-CB 3.23Å; N56-S84 WeakPolarHBondContact OD1-CB 3.3Å; N56-S84 PolarHBondContact OD1-OG 2.7Å; F59-S84 VanDerWaalsContact CD1-OG 3.26Å; F59-S84 WeakPolarHBondContact CD1-OG 3.45Å; P80-S84 PolarHBondContact O-N 3.38Å; P80-S84 PolarHBondContact O-OG 3.19Å; P80-S84 VanDerWaalsContact O-OG 3.13Å; L81-S84 PolarHBondContact O-N 3.23Å; S84-Y87 PolarHBondContact O-N 3.3Å; S84-A88 WeakPolarHBondContact O-CB 3.35Å; S84-A88 PolarHBondContact O-N 3.18Å
85	A	97.5	Very high	97.1	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.008	3%	0.031	C	C	.	.	H	α-helix	trans	-63.4	-42.2	177.2	0	0	0	0	0	112.2	L81 I83 Y87 M89 F122 L126 V140 Y164	L81-A85 VanDerWaalsContact O-CB 3.29Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.4Å; I83-A85 VanDerWaalsContact C-N 3.33Å; I83-A85 PolarHBondContact O-N 3.05Å; A85-Y87 PolarHBondContact O-N 2.75Å; A85-M89 VanDerWaalsContact O-CB 3.27Å; A85-M89 WeakPolarHBondContact O-CB 3.42Å; A85-M89 PolarHBondContact O-N 3.41Å; A85-F122 HydrophobicContact CB-CD1 4Å; A85-F122 HydrophobicContact CB-CE1 4.11Å; A85-L126 HydrophobicContact CB-CD1 4.46Å; A85-L126 HydrophobicContact CB-CD2 4.39Å; A85-V140 HydrophobicContact CB-CG1 4.35Å; A85-Y164 WeakPolarHBondContact O-CE1 3.32Å
86	A	97.4	Very high	96.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-64	-40.4	179.2	0	0	0	0	0	112.4	S82 I83 M89 L90 S142 L210 N212	S82-A86 WeakPolarHBondContact O-CB 3.35Å; S82-A86 PolarHBondContact O-N 3.44Å; I83-A86 PolarHBondContact O-N 3.06Å; A86-M89 WeakPolarHBondContact O-CB 3.15Å; A86-M89 PolarHBondContact O-N 3.36Å; A86-L90 PolarHBondContact O-N 3.09Å; A86-S142 WeakPolarHBondContact CA-OG 3.5Å; A86-S142 VanDerWaalsContact CB-OG 3.28Å; A86-S142 WeakPolarHBondContact CB-OG 3.39Å; A86-L210 HydrophobicContact CB-CD2 4.23Å; A86-N212 HydrophobicContact CB-CB 3.62Å
87	Y	97.9	Very high	96.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-79.9	-34.2	-179.5	-80.1	-100.1	0	0	0	112.5	I83 S84 A85 M89 L90 S91 I102 L210 L330 L334 F339 L342 F343 S363	I83-Y87 HydrophobicContact CG2-CD2 4.03Å; I83-Y87 HydrophobicContact CG2-CE2 4.22Å; I83-Y87 VanDerWaalsContact O-CD2 3.3Å; I83-Y87 WeakPolarHBondContact O-CD2 3.41Å; I83-Y87 PolarHBondContact O-N 2.9Å; S84-Y87 PolarHBondContact O-N 3.3Å; A85-Y87 PolarHBondContact O-N 2.75Å; Y87-M89 PolarHBondContact O-N 3.44Å; Y87-L90 PolarHBondContact O-N 2.94Å; Y87-S91 PolarHBondContact O-N 3.43Å; Y87-I102 VanDerWaalsContact O-CG2 3.28Å; Y87-I102 WeakPolarHBondContact O-CG2 3.36Å; Y87-L210 HydrophobicContact CD2-CD2 4.25Å; Y87-L210 HydrophobicContact CE2-CD2 3.88Å; Y87-L330 HydrophobicContact CE2-CD1 3.7Å; Y87-L330 WeakPolarHBondContact OH-CB 3.4Å; Y87-L334 HydrophobicContact CD1-CD1 3.95Å; Y87-L334 HydrophobicContact CD2-CD1 4.17Å; Y87-L334 HydrophobicContact CE1-CD1 3.29Å; Y87-L334 HydrophobicContact CE2-CD1 3.58Å; Y87-L334 HydrophobicContact CG-CD1 4.34Å; Y87-L334 WeakPolarHBondContact OH-CD1 3.3Å; Y87-F339 AromaticContact CD1-CD1 3.94Å; Y87-F339 HydrophobicContact CD1-CD1 3.94Å; Y87-F339 AromaticContact CD1-CE1 3.87Å; Y87-F339 HydrophobicContact CD1-CE1 3.87Å; Y87-F339 HydrophobicContact CE1-CD1 4.36Å; Y87-F339 HydrophobicContact CG-CE1 4.33Å; Y87-L342 HydrophobicContact CD1-CD2 3.83Å; Y87-L342 HydrophobicContact CE1-CD2 3.63Å; Y87-F343 HydrophobicContact CE1-CE2 4.24Å; Y87-F343 AromaticContact CE1-CZ 3.79Å; Y87-F343 HydrophobicContact CE1-CZ 3.79Å; Y87-F343 WeakPolarHBondContact OH-CZ 3.27Å; Y87-S363 WeakPolarHBondContact OH-CB 3.48Å; Y87-S363 PolarHBondContact OH-OG 2.88Å
88	A	97.9	Very high	96.6	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.7	-27.5	168.6	0	0	0	0	0	112.1	S84 S91 L106 H119 F122 Y164	S84-A88 WeakPolarHBondContact O-CB 3.35Å; S84-A88 PolarHBondContact O-N 3.18Å; A88-S91 PolarHBondContact O-OG 3.44Å; A88-L106 HydrophobicContact CB-CD1 4.08Å; A88-H119 PolarHBondContact O-CE1 2.91Å; A88-F122 HydrophobicContact CB-CD2 3.64Å; A88-F122 HydrophobicContact CB-CE2 3.35Å; A88-F122 HydrophobicContact CB-CG 4.46Å; A88-F122 HydrophobicContact CB-CZ 3.98Å; A88-Y164 HydrophobicContact CB-CE1 4.25Å; A88-Y164 VanDerWaalsContact CB-OH 3.22Å; A88-Y164 WeakPolarHBondContact CB-OH 3.47Å; A88-Y164 PolarHBondContact O-OH 3.33Å
89	M	97.5	Very high	96.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-70.2	-46.2	168.9	179.8	-80.4	-65.9	0	0	110.8	A85 A86 Y87 S91 L92 F156 T160 Y164 A166 L210	A85-M89 VanDerWaalsContact O-CB 3.27Å; A85-M89 WeakPolarHBondContact O-CB 3.42Å; A85-M89 PolarHBondContact O-N 3.41Å; A86-M89 WeakPolarHBondContact O-CB 3.15Å; A86-M89 PolarHBondContact O-N 3.36Å; Y87-M89 PolarHBondContact O-N 3.44Å; M89-S91 PolarHBondContact O-N 2.79Å; M89-L92 WeakPolarHBondContact O-CB 3.29Å; M89-L92 PolarHBondContact O-N 3.47Å; M89-L92 VanDerWaalsContact O-N 3.17Å; M89-F156 HydrophobicContact SD-CZ 4.18Å; M89-T160 HydrophobicContact CG-CG2 3.71Å; M89-T160 HydrophobicContact SD-CG2 3.46Å; M89-T160 WeakPolarHBondContact SD-CG2 3.23Å; M89-Y164 HydrophobicContact CB-CD1 3.95Å; M89-Y164 HydrophobicContact CB-CD2 3.65Å; M89-Y164 HydrophobicContact CB-CE1 4.18Å; M89-Y164 HydrophobicContact CB-CE2 3.89Å; M89-Y164 HydrophobicContact CB-CG 3.67Å; M89-Y164 HydrophobicContact CG-CD2 3.74Å; M89-Y164 HydrophobicContact CG-CE2 4.36Å; M89-Y164 HydrophobicContact CG-CG 3.89Å; M89-A166 HydrophobicContact CE-CB 4.31Å; M89-A166 HydrophobicContact CG-CB 4.05Å; M89-A166 HydrophobicContact SD-CB 4.26Å; M89-L210 HydrophobicContact CE-CD1 3.81Å
90	L	96.8	Very high	96.5	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-62.2	-32	178.5	-173	62.1	0	0	0	112.6	A86 Y87 L92 G93 A94 L144 M208 L210 L342 I352	A86-L90 PolarHBondContact O-N 3.09Å; Y87-L90 PolarHBondContact O-N 2.94Å; L90-L92 PolarHBondContact O-N 3.39Å; L90-G93 PolarHBondContact O-N 3.36Å; L90-A94 PolarHBondContact O-N 2.97Å; L90-L144 HydrophobicContact CD1-CD1 3.73Å; L90-M208 HydrophobicContact CD1-CE 4.25Å; L90-L210 HydrophobicContact CD2-CD2 4.18Å; L90-L342 HydrophobicContact CD2-CD1 3.95Å; L90-L342 HydrophobicContact CD2-CD2 3.86Å; L90-L342 HydrophobicContact CD2-CG 4.46Å; L90-I352 HydrophobicContact CD1-CD1 3.77Å
91	S	97.4	Very high	96.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.9	178.4	80	0	0	0	0	113.3	Y87 A88 M89 G93 A94 R99 H119	Y87-S91 PolarHBondContact O-N 3.43Å; A88-S91 PolarHBondContact O-OG 3.44Å; M89-S91 PolarHBondContact O-N 2.79Å; S91-G93 PolarHBondContact O-N 3.43Å; S91-A94 PolarHBondContact O-N 2.96Å; S91-R99 VanDerWaalsContact O-CD 3.27Å; S91-R99 WeakPolarHBondContact O-CD 3.3Å; S91-R99 WeakPolarHBondContact O-CG 3.47Å; S91-H119 PolarHBondContact OG-CE1 3.29Å
92	L	97.3	Very high	96.5	Very high	35 Å²	35	20 Å²	20	18%	0.183	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-25.8	171.6	-69.3	169.3	0	0	0	112.7	M89 L90 H119 F156 D159 T160 F163 Y164	M89-L92 WeakPolarHBondContact O-CB 3.29Å; M89-L92 PolarHBondContact O-N 3.47Å; M89-L92 VanDerWaalsContact O-N 3.17Å; L90-L92 PolarHBondContact O-N 3.39Å; L92-H119 WeakPolarHBondContact CD2-NE2 3.43Å; L92-F156 HydrophobicContact CB-CD2 4.3Å; L92-F156 HydrophobicContact CB-CE2 4.34Å; L92-D159 HydrophobicContact CD1-CB 3.87Å; L92-D159 HydrophobicContact CD2-CB 4.38Å; L92-T160 HydrophobicContact CD1-CG2 4.04Å; L92-F163 HydrophobicContact CD1-CD2 4.45Å; L92-Y164 HydrophobicContact CD1-CD2 4.07Å; L92-Y164 HydrophobicContact CD1-CE2 3.68Å; L92-Y164 HydrophobicContact CG-CE2 4.48Å
93	G	95.8	Very high	96.6	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-11.5	177.4	0	0	0	0	0	113.7	L90 S91 F156 L349 G351 I352	L90-G93 PolarHBondContact O-N 3.36Å; S91-G93 PolarHBondContact O-N 3.43Å; G93-F156 VanDerWaalsContact CA-CD2 3.46Å; G93-L349 CarbonylContact O-C 3.34Å; G93-L349 VanDerWaalsContact O-C 3.3Å; G93-L349 WeakPolarHBondContact O-CA 3.4Å; G93-G351 CarbonylContact O-C 3.41Å; G93-G351 WeakPolarHBondContact O-CA 3.47Å; G93-G351 PolarHBondContact O-N 3.27Å; G93-I352 PolarHBondContact O-N 3.12Å
94	A	95.9	Very high	96.6	Very high	2 Å²	2	25 Å²	25	2%	0.017	13%	0.131	C	C	.	.			trans	-87.4	150.6	175.4	0	0	0	0	0	111	L90 S91 R99 I102 D348 L349	L90-A94 PolarHBondContact O-N 2.97Å; S91-A94 PolarHBondContact O-N 2.96Å; A94-R99 HydrophobicContact CB-CB 3.86Å; A94-R99 WeakPolarHBondContact O-CD 3.43Å; A94-I102 HydrophobicContact CB-CD1 3.78Å; A94-D348 CarbonylContact C-O 3.57Å; A94-D348 VanDerWaalsContact CA-O 3.28Å; A94-D348 WeakPolarHBondContact CA-O 3.03Å; A94-L349 HydrophobicContact CB-CD2 3.94Å
95	C	93.9	Very high	96.6	Very high	35 Å²	35	25.2 Å²	25.2	24%	0.236	13%	0.134	C	C	.	.			trans	-119.3	154.5	179.5	-72.4	0	0	0	0	111.1	H97 S98 R99 D348 S350	C95-H97 PolarHBondContact O-N 2.68Å; C95-S98 PolarHBondContact O-N 3.13Å; C95-R99 PolarHBondContact O-N 3.07Å; C95-D348 HydrophobicContact CB-CB 4.34Å; C95-D348 VanDerWaalsContact CB-OD2 3.22Å; C95-D348 WeakPolarHBondContact CB-OD2 3.35Å; C95-D348 PolarHBondContact N-O 2.76Å; C95-S350 PolarHBondContact SG-OG 2.74Å
96	S	92.3	Very high	96.6	Very high	84 Å²	84	25.1 Å²	25.1	59%	0.587	13%	0.134	S	C	*	.	H	α-helix	trans	48.2	-122.9	170.4	-51.5	0	0	0	0	113	S98 R99 S100	S96-S98 PolarHBondContact O-N 3.07Å; S96-R99 PolarHBondContact O-N 2.88Å; S96-S100 PolarHBondContact O-N 2.88Å; S96-S100 PolarHBondContact O-OG 2.84Å
97	H	94.6	Very high	96.5	Very high	120 Å²	120	26.3 Å²	26.3	56%	0.556	15%	0.146	S	C	*	.	H	α-helix	trans	-62.4	-40.8	-176.6	-176.2	64.7	0	0	0	113.5	C95 R99 S100 Q101	C95-H97 PolarHBondContact O-N 2.68Å; H97-R99 VanDerWaalsContact C-N 3.26Å; H97-R99 PolarHBondContact O-N 3.37Å; H97-S100 PolarHBondContact O-N 3.1Å; H97-Q101 WeakPolarHBondContact O-CB 3.44Å; H97-Q101 PolarHBondContact O-N 3.09Å
98	S	94.9	Very high	96.5	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.021	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-39.3	-179.7	-50.7	0	0	0	0	111.4	C95 S96 I102 D341 D348	C95-S98 PolarHBondContact O-N 3.13Å; S96-S98 PolarHBondContact O-N 3.07Å; S98-I102 WeakPolarHBondContact O-CD1 3.22Å; S98-I102 VanDerWaalsContact O-CG1 3.23Å; S98-I102 WeakPolarHBondContact O-CG1 3.42Å; S98-I102 PolarHBondContact O-N 3.17Å; S98-D341 WeakPolarHBondContact CA-OD2 3.11Å; S98-D341 WeakPolarHBondContact CB-OD2 3.45Å; S98-D341 PolarHBondContact OG-OD2 2.91Å; S98-D348 PolarHBondContact OG-N 2.64Å
99	R	96.9	Very high	96.4	Very high	78 Å²	78	29.7 Å²	29.7	29%	0.294	16%	0.164	S	C	.	.	H	α-helix	trans	-67.6	-48.3	176.9	178.7	167.7	52.6	159.3	7.5	112	S91 A94 C95 S96 H97 Q101 I102 L103 E115	S91-R99 VanDerWaalsContact O-CD 3.27Å; S91-R99 WeakPolarHBondContact O-CD 3.3Å; S91-R99 WeakPolarHBondContact O-CG 3.47Å; A94-R99 HydrophobicContact CB-CB 3.86Å; A94-R99 WeakPolarHBondContact O-CD 3.43Å; C95-R99 PolarHBondContact O-N 3.07Å; S96-R99 PolarHBondContact O-N 2.88Å; H97-R99 VanDerWaalsContact C-N 3.26Å; H97-R99 PolarHBondContact O-N 3.37Å; R99-Q101 VanDerWaalsContact C-N 3.29Å; R99-Q101 PolarHBondContact O-N 3.33Å; R99-I102 PolarHBondContact O-N 2.97Å; R99-L103 HydrophobicContact CG-CD1 4.41Å; R99-L103 PolarHBondContact O-N 3.35Å; R99-E115 IonicContact CZ-OE1 2.68Å; R99-E115 IonicContact CZ-OE2 3.55Å; R99-E115 IonicContact NE-OE1 2.67Å; R99-E115 PolarHBondContact NE-OE1 2.84Å; R99-E115 VanDerWaalsContact NE-OE1 3.15Å; R99-E115 IonicContact NE-OE2 2.68Å; R99-E115 IonicContact NH1-OE1 3.85Å; R99-E115 IonicContact NH1-OE2 3.33Å; R99-E115 PolarHBondContact NH1-OE2 2.96Å; R99-E115 IonicContact NH2-OE1 2.62Å; R99-E115 PolarHBondContact NH2-OE1 2.62Å; R99-E115 IonicContact NH2-OE2 3.43Å
100	S	96.8	Very high	96.4	Very high	35 Å²	35	31.9 Å²	31.9	25%	0.245	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-44.1	178.4	-61	0	0	0	0	111.3	S96 H97 I102 L103 E104	S96-S100 PolarHBondContact O-N 2.88Å; S96-S100 PolarHBondContact O-OG 2.84Å; H97-S100 PolarHBondContact O-N 3.1Å; S100-I102 VanDerWaalsContact C-N 3.34Å; S100-I102 PolarHBondContact O-N 3.2Å; S100-L103 PolarHBondContact O-N 3.2Å; S100-E104 WeakPolarHBondContact O-CB 3.42Å; S100-E104 WeakPolarHBondContact O-CG 3.43Å; S100-E104 PolarHBondContact O-N 3.37Å
101	Q	96.6	Very high	96.3	Very high	26 Å²	26	37.9 Å²	37.9	12%	0.121	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-39.7	179.3	-172.2	-172.4	97	0	0	112.9	H97 R99 G105 G338 F339 D341	H97-Q101 WeakPolarHBondContact O-CB 3.44Å; H97-Q101 PolarHBondContact O-N 3.09Å; R99-Q101 VanDerWaalsContact C-N 3.29Å; R99-Q101 PolarHBondContact O-N 3.33Å; Q101-G105 PolarHBondContact O-N 3.17Å; Q101-G338 WeakPolarHBondContact CG-O 3.33Å; Q101-G338 PolarHBondContact OE1-O 3.02Å; Q101-F339 VanDerWaalsContact OE1-C 3.22Å; Q101-D341 VanDerWaalsContact OE1-CB 3.24Å
102	I	97.4	Very high	96.1	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-48.2	176.5	-67.7	164.4	0	0	0	110.3	Y87 A94 S98 R99 S100 G105 L106 F339 L342	Y87-I102 VanDerWaalsContact O-CG2 3.28Å; Y87-I102 WeakPolarHBondContact O-CG2 3.36Å; A94-I102 HydrophobicContact CB-CD1 3.78Å; S98-I102 WeakPolarHBondContact O-CD1 3.22Å; S98-I102 VanDerWaalsContact O-CG1 3.23Å; S98-I102 WeakPolarHBondContact O-CG1 3.42Å; S98-I102 PolarHBondContact O-N 3.17Å; R99-I102 PolarHBondContact O-N 2.97Å; S100-I102 VanDerWaalsContact C-N 3.34Å; S100-I102 PolarHBondContact O-N 3.2Å; I102-G105 PolarHBondContact O-N 2.6Å; I102-L106 HydrophobicContact CG2-CD1 4.48Å; I102-L106 WeakPolarHBondContact O-CG 3.49Å; I102-L106 PolarHBondContact O-N 2.95Å; I102-L106 VanDerWaalsContact O-N 3.11Å; I102-F339 HydrophobicContact CB-CE1 4.47Å; I102-F339 HydrophobicContact CG1-CD1 4.47Å; I102-F339 HydrophobicContact CG2-CE1 4.07Å; I102-F339 WeakPolarHBondContact O-CE1 3.4Å; I102-L342 HydrophobicContact CD1-CD1 4Å; I102-L342 HydrophobicContact CD1-CD2 4.11Å; I102-L342 HydrophobicContact CG1-CB 4.48Å; I102-L342 HydrophobicContact CG1-CD2 4Å
103	L	98.2	Very high	96	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-70.2	-41.5	-176.2	-62.7	178.1	0	0	0	111.9	R99 S100 G105 L106 G107 F108 L110 E115 I118	R99-L103 HydrophobicContact CG-CD1 4.41Å; R99-L103 PolarHBondContact O-N 3.35Å; S100-L103 PolarHBondContact O-N 3.2Å; L103-G105 VanDerWaalsContact C-N 3.35Å; L103-L106 WeakPolarHBondContact O-CB 3.34Å; L103-L106 PolarHBondContact O-N 3.24Å; L103-G107 PolarHBondContact O-N 3.41Å; L103-F108 HydrophobicContact CB-CB 4.47Å; L103-F108 HydrophobicContact CB-CD2 4.29Å; L103-F108 HydrophobicContact CD2-CD2 4.28Å; L103-F108 WeakPolarHBondContact O-CB 3.41Å; L103-F108 VanDerWaalsContact O-CD2 3.29Å; L103-F108 WeakPolarHBondContact O-CD2 3.41Å; L103-F108 PolarHBondContact O-N 2.69Å; L103-L110 HydrophobicContact CB-CD1 4.42Å; L103-L110 HydrophobicContact CB-CD2 3.9Å; L103-L110 HydrophobicContact CD1-CD2 3.92Å; L103-E115 HydrophobicContact CD1-CG 3.95Å; L103-I118 HydrophobicContact CD1-CD1 4.09Å; L103-I118 HydrophobicContact CD2-CD1 4.43Å; L103-I118 HydrophobicContact CD2-CG2 4.24Å
104	E	97.5	Very high	96.1	Very high	104 Å²	104	47.6 Å²	47.6	49%	0.486	26%	0.263	S	S	.	.	H	α-helix	trans	-65.1	-38.5	174.2	-70.5	170.9	174	0	0	111.7	S100 L106 G107 L110	S100-E104 WeakPolarHBondContact O-CB 3.42Å; S100-E104 WeakPolarHBondContact O-CG 3.43Å; S100-E104 PolarHBondContact O-N 3.37Å; E104-L106 VanDerWaalsContact C-N 3.26Å; E104-L106 PolarHBondContact O-N 3.32Å; E104-G107 WeakPolarHBondContact O-CA 3.34Å; E104-G107 PolarHBondContact O-N 3.27Å; E104-L110 HydrophobicContact CG-CD1 3.99Å; E104-L110 HydrophobicContact CG-CG 4.14Å
105	G	97.2	Very high	96	Very high	5 Å²	5	50.2 Å²	50.2	5%	0.052	28%	0.275	C	S	.	.	H	α-helix	trans	-59.9	-35.7	173.7	0	0	0	0	0	112.8	R62 Q101 I102 L103 G107 F339	R62-G105 PolarHBondContact NH2-O 3.3Å; Q101-G105 PolarHBondContact O-N 3.17Å; I102-G105 PolarHBondContact O-N 2.6Å; L103-G105 VanDerWaalsContact C-N 3.35Å; G105-G107 PolarHBondContact O-N 3.04Å; G105-F339 VanDerWaalsContact C-CE2 3.49Å; G105-F339 VanDerWaalsContact C-CZ 3.43Å
106	L	97.8	Very high	96.1	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-1.4	171.8	-67.9	176.2	0	0	0	113.9	F59 A88 I102 L103 E104 F108 F339	F59-L106 HydrophobicContact CD1-CD2 4.39Å; F59-L106 HydrophobicContact CD2-CD2 4.09Å; F59-L106 HydrophobicContact CE1-CD2 4.33Å; F59-L106 HydrophobicContact CE2-CD2 4.04Å; F59-L106 HydrophobicContact CG-CD2 4.27Å; F59-L106 HydrophobicContact CZ-CD2 4.17Å; A88-L106 HydrophobicContact CB-CD1 4.08Å; I102-L106 HydrophobicContact CG2-CD1 4.48Å; I102-L106 WeakPolarHBondContact O-CG 3.49Å; I102-L106 PolarHBondContact O-N 2.95Å; I102-L106 VanDerWaalsContact O-N 3.11Å; L103-L106 WeakPolarHBondContact O-CB 3.34Å; L103-L106 PolarHBondContact O-N 3.24Å; E104-L106 VanDerWaalsContact C-N 3.26Å; E104-L106 PolarHBondContact O-N 3.32Å; L106-F108 HydrophobicContact CB-CD2 3.81Å; L106-F108 HydrophobicContact CB-CE2 3.71Å; L106-F108 HydrophobicContact CD1-CE2 4.06Å; L106-F339 HydrophobicContact CD2-CE1 4.34Å; L106-F339 HydrophobicContact CD2-CZ 3.78Å; L106-F339 HydrophobicContact CG-CE1 4.18Å; L106-F339 HydrophobicContact CG-CZ 3.84Å
107	G	96.8	Very high	96.3	Very high	25 Å²	25	49.9 Å²	49.9	26%	0.258	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.9	8.8	177.6	0	0	0	0	0	114.9	A55 L103 E104 G105	A55-G107 WeakPolarHBondContact CB-O 3.22Å; L103-G107 PolarHBondContact O-N 3.41Å; E104-G107 WeakPolarHBondContact O-CA 3.34Å; E104-G107 PolarHBondContact O-N 3.27Å; G105-G107 PolarHBondContact O-N 3.04Å
108	F	97.6	Very high	96.4	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.018	24%	0.244	C	C	.	.			trans	-81.2	125.6	177.9	-61	-65.3	0	0	0	111.7	I52 A55 L103 L106 L110 L113 I118 F122	I52-F108 HydrophobicContact CB-CE1 3.66Å; I52-F108 HydrophobicContact CB-CZ 4.14Å; I52-F108 HydrophobicContact CG2-CE1 3.68Å; I52-F108 HydrophobicContact CG2-CZ 4.26Å; A55-F108 HydrophobicContact CB-CD1 3.44Å; A55-F108 VanDerWaalsContact CB-CD1 3.44Å; A55-F108 HydrophobicContact CB-CE1 3.44Å; A55-F108 VanDerWaalsContact CB-CE1 3.44Å; A55-F108 HydrophobicContact CB-CG 4.18Å; A55-F108 HydrophobicContact CB-CZ 4.19Å; L103-F108 HydrophobicContact CB-CB 4.47Å; L103-F108 HydrophobicContact CB-CD2 4.29Å; L103-F108 HydrophobicContact CD2-CD2 4.28Å; L103-F108 WeakPolarHBondContact O-CB 3.41Å; L103-F108 VanDerWaalsContact O-CD2 3.29Å; L103-F108 WeakPolarHBondContact O-CD2 3.41Å; L103-F108 PolarHBondContact O-N 2.69Å; L106-F108 HydrophobicContact CB-CD2 3.81Å; L106-F108 HydrophobicContact CB-CE2 3.71Å; L106-F108 HydrophobicContact CD1-CE2 4.06Å; F108-L110 HydrophobicContact CB-CD2 4.49Å; F108-L110 PolarHBondContact O-N 2.59Å; F108-L113 HydrophobicContact CD1-CD1 4.27Å; F108-I118 HydrophobicContact CB-CD1 3.71Å; F108-I118 HydrophobicContact CB-CG1 4.48Å; F108-I118 HydrophobicContact CD1-CD1 4.12Å; F108-I118 HydrophobicContact CD1-CG1 3.98Å; F108-I118 HydrophobicContact CD2-CD1 4.03Å; F108-I118 HydrophobicContact CD2-CG1 4.43Å; F108-I118 HydrophobicContact CD2-CG2 4.05Å; F108-I118 HydrophobicContact CE1-CG1 4.37Å; F108-I118 HydrophobicContact CE1-CG2 4.25Å; F108-I118 HydrophobicContact CE2-CG2 3.76Å; F108-I118 HydrophobicContact CG-CD1 3.68Å; F108-I118 HydrophobicContact CG-CG1 4.04Å; F108-I118 HydrophobicContact CG-CG2 4.44Å; F108-I118 HydrophobicContact CZ-CG2 3.88Å; F108-F122 AromaticContact CE2-CE2 3.89Å; F108-F122 HydrophobicContact CE2-CE2 3.89Å; F108-F122 HydrophobicContact CE2-CZ 4.27Å; F108-F122 AromaticContact CZ-CE2 3.64Å; F108-F122 HydrophobicContact CZ-CE2 3.64Å; F108-F122 AromaticContact CZ-CZ 3.91Å; F108-F122 HydrophobicContact CZ-CZ 3.91Å
109	N	96.1	Very high	96.6	Very high	67 Å²	67	44.5 Å²	44.5	36%	0.358	25%	0.245	S	C	.	.			trans	-82.6	104.6	169	-175.1	-5.7	0	0	0	109.8	T111 E112 L113	N109-T111 VanDerWaalsContact CG-OG1 3.32Å; N109-T111 PolarHBondContact ND2-OG1 2.67Å; N109-T111 PolarHBondContact O-N 3.29Å; N109-T111 VanDerWaalsContact O-N 3.16Å; N109-T111 PolarHBondContact OD1-N 2.75Å; N109-T111 VanDerWaalsContact OD1-N 3.08Å; N109-T111 PolarHBondContact OD1-OG1 3.06Å; N109-E112 HydrophobicContact CB-CB 4.31Å; N109-E112 HydrophobicContact CB-CG 4.4Å; N109-E112 VanDerWaalsContact ND2-CD 3.25Å; N109-E112 PolarHBondContact ND2-OE1 2.91Å; N109-E112 PolarHBondContact O-N 3.11Å; N109-L113 PolarHBondContact O-N 2.96Å
110	L	95.8	Very high	96.6	Very high	46 Å²	46	47.3 Å²	47.3	24%	0.241	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-7.3	-177	-59.5	-179.5	0	0	0	114.1	L103 E104 F108 I118	L103-L110 HydrophobicContact CB-CD1 4.42Å; L103-L110 HydrophobicContact CB-CD2 3.9Å; L103-L110 HydrophobicContact CD1-CD2 3.92Å; E104-L110 HydrophobicContact CG-CD1 3.99Å; E104-L110 HydrophobicContact CG-CG 4.14Å; F108-L110 HydrophobicContact CB-CD2 4.49Å; F108-L110 PolarHBondContact O-N 2.59Å; L110-I118 HydrophobicContact CD2-CD1 3.85Å
111	T	95.3	Very high	96.6	Very high	127 Å²	127	45.7 Å²	45.7	78%	0.779	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-22.1	170.2	66	0	0	0	0	112.5	N109	N109-T111 VanDerWaalsContact CG-OG1 3.32Å; N109-T111 PolarHBondContact ND2-OG1 2.67Å; N109-T111 PolarHBondContact O-N 3.29Å; N109-T111 VanDerWaalsContact O-N 3.16Å; N109-T111 PolarHBondContact OD1-N 2.75Å; N109-T111 VanDerWaalsContact OD1-N 3.08Å; N109-T111 PolarHBondContact OD1-OG1 3.06Å
112	E	93.9	Very high	96.6	Very high	151 Å²	151	44.4 Å²	44.4	71%	0.706	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-35.7	-179.6	-69.7	174.3	-161	0	0	112.8	N109	N109-E112 HydrophobicContact CB-CB 4.31Å; N109-E112 HydrophobicContact CB-CG 4.4Å; N109-E112 VanDerWaalsContact ND2-CD 3.25Å; N109-E112 PolarHBondContact ND2-OE1 2.91Å; N109-E112 PolarHBondContact O-N 3.11Å
113	L	95.1	Very high	96.6	Very high	32 Å²	32	48 Å²	48	17%	0.168	26%	0.255	C	S	.	.	S	Bend	trans	-119	130.2	-178.2	-69.2	175.3	0	0	0	111.1	K51 F108 N109 D117 I118	K51-L113 HydrophobicContact CB-CD2 4.15Å; K51-L113 HydrophobicContact CD-CD2 4.16Å; F108-L113 HydrophobicContact CD1-CD1 4.27Å; N109-L113 PolarHBondContact O-N 2.96Å; L113-D117 HydrophobicContact CD2-CB 4.39Å; L113-I118 HydrophobicContact CB-CG1 4.37Å
114	S	96.5	Very high	96.5	Very high	56 Å²	56	51.4 Å²	51.4	39%	0.392	27%	0.271	S	S	.	.			trans	-74	153.8	172.7	75.2	0	0	0	0	111.5	S116 D117 I118	S114-S116 PolarHBondContact O-N 2.81Å; S114-D117 WeakPolarHBondContact O-CB 2.96Å; S114-D117 PolarHBondContact O-N 2.97Å; S114-D117 PolarHBondContact OG-N 2.79Å; S114-D117 VanDerWaalsContact OG-N 3.11Å; S114-D117 PolarHBondContact OG-OD2 2.58Å; S114-I118 PolarHBondContact O-N 3.35Å; S114-I118 VanDerWaalsContact O-N 3.14Å
115	E	95.6	Very high	96.4	Very high	56 Å²	56	46.4 Å²	46.4	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-54.4	-36.2	172.9	-63.1	-178.2	-176.6	0	0	111.9	R99 L103 I118 H119	R99-E115 IonicContact CZ-OE1 2.68Å; R99-E115 IonicContact CZ-OE2 3.55Å; R99-E115 IonicContact NE-OE1 2.67Å; R99-E115 PolarHBondContact NE-OE1 2.84Å; R99-E115 VanDerWaalsContact NE-OE1 3.15Å; R99-E115 IonicContact NE-OE2 2.68Å; R99-E115 IonicContact NH1-OE1 3.85Å; R99-E115 IonicContact NH1-OE2 3.33Å; R99-E115 PolarHBondContact NH1-OE2 2.96Å; R99-E115 IonicContact NH2-OE1 2.62Å; R99-E115 PolarHBondContact NH2-OE1 2.62Å; R99-E115 IonicContact NH2-OE2 3.43Å; L103-E115 HydrophobicContact CD1-CG 3.95Å; E115-I118 PolarHBondContact O-N 3Å; E115-H119 PolarHBondContact O-CD2 2.74Å; E115-H119 PolarHBondContact O-N 3.26Å
116	S	95.3	Very high	96.2	Very high	73 Å²	73	47 Å²	47	51%	0.51	25%	0.249	S	C	.	.	H	α-helix	trans	-64.3	-43.1	176.8	-174.1	0	0	0	0	112.2	S114 I118 H119 R120	S114-S116 PolarHBondContact O-N 2.81Å; S116-I118 VanDerWaalsContact C-N 3.29Å; S116-I118 PolarHBondContact O-N 3Å; S116-H119 PolarHBondContact O-N 2.8Å; S116-R120 WeakPolarHBondContact O-CB 3.38Å; S116-R120 VanDerWaalsContact O-CG 3.27Å; S116-R120 WeakPolarHBondContact O-CG 3.29Å; S116-R120 PolarHBondContact O-N 3.23Å
117	D	96.1	Very high	96	Very high	40 Å²	40	52.1 Å²	52.1	21%	0.214	27%	0.273	C	S	.	.	H	α-helix	trans	-61.1	-40.3	175.5	-73.5	-65.9	0	0	0	111.3	K51 L113 S114 G121	K51-D117 IonicContact NZ-OD1 2.91Å; K51-D117 PolarHBondContact NZ-OD1 2.93Å; L113-D117 HydrophobicContact CD2-CB 4.39Å; S114-D117 WeakPolarHBondContact O-CB 2.96Å; S114-D117 PolarHBondContact O-N 2.97Å; S114-D117 PolarHBondContact OG-N 2.79Å; S114-D117 VanDerWaalsContact OG-N 3.11Å; S114-D117 PolarHBondContact OG-OD2 2.58Å; D117-G121 WeakPolarHBondContact O-CA 3.47Å; D117-G121 PolarHBondContact O-N 3.47Å
118	I	97.8	Very high	95.7	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63	-52.4	179.1	-63	166.3	0	0	0	110.3	L103 F108 L110 L113 S114 E115 S116 G121 F122	L103-I118 HydrophobicContact CD1-CD1 4.09Å; L103-I118 HydrophobicContact CD2-CD1 4.43Å; L103-I118 HydrophobicContact CD2-CG2 4.24Å; F108-I118 HydrophobicContact CB-CD1 3.71Å; F108-I118 HydrophobicContact CB-CG1 4.48Å; F108-I118 HydrophobicContact CD1-CD1 4.12Å; F108-I118 HydrophobicContact CD1-CG1 3.98Å; F108-I118 HydrophobicContact CD2-CD1 4.03Å; F108-I118 HydrophobicContact CD2-CG1 4.43Å; F108-I118 HydrophobicContact CD2-CG2 4.05Å; F108-I118 HydrophobicContact CE1-CG1 4.37Å; F108-I118 HydrophobicContact CE1-CG2 4.25Å; F108-I118 HydrophobicContact CE2-CG2 3.76Å; F108-I118 HydrophobicContact CG-CD1 3.68Å; F108-I118 HydrophobicContact CG-CG1 4.04Å; F108-I118 HydrophobicContact CG-CG2 4.44Å; F108-I118 HydrophobicContact CZ-CG2 3.88Å; L110-I118 HydrophobicContact CD2-CD1 3.85Å; L113-I118 HydrophobicContact CB-CG1 4.37Å; S114-I118 PolarHBondContact O-N 3.35Å; S114-I118 VanDerWaalsContact O-N 3.14Å; E115-I118 PolarHBondContact O-N 3Å; S116-I118 VanDerWaalsContact C-N 3.29Å; S116-I118 PolarHBondContact O-N 3Å; I118-G121 WeakPolarHBondContact O-CA 3.34Å; I118-G121 PolarHBondContact O-N 2.84Å; I118-F122 HydrophobicContact CG2-CD2 3.92Å; I118-F122 HydrophobicContact CG2-CE2 3.8Å; I118-F122 WeakPolarHBondContact O-CD2 3.35Å; I118-F122 PolarHBondContact O-N 2.79Å
119	H	97.8	Very high	95.4	Very high	10 Å²	10	52.8 Å²	52.8	5%	0.046	27%	0.272	C	S	.	.	H	α-helix	trans	-66.1	-40.5	-178.2	-64.4	-41.5	0	0	0	112.9	A88 S91 L92 E115 S116 G121 F122 Q123 F163 Y164	A88-H119 PolarHBondContact O-CE1 2.91Å; S91-H119 PolarHBondContact OG-CE1 3.29Å; L92-H119 WeakPolarHBondContact CD2-NE2 3.43Å; E115-H119 PolarHBondContact O-CD2 2.74Å; E115-H119 PolarHBondContact O-N 3.26Å; S116-H119 PolarHBondContact O-N 2.8Å; H119-G121 VanDerWaalsContact C-N 3.29Å; H119-G121 PolarHBondContact O-N 3.25Å; H119-F122 PolarHBondContact O-N 3.35Å; H119-Q123 WeakPolarHBondContact O-CB 3.4Å; H119-Q123 PolarHBondContact O-N 3Å; H119-F163 HydrophobicContact CB-CD1 4.23Å; H119-F163 HydrophobicContact CB-CE1 4.41Å; H119-F163 HydrophobicContact CB-CG 4.37Å; H119-Y164 AromaticContact ND1-CZ 3.79Å; H119-Y164 PolarHBondContact ND1-OH 2.72Å
120	R	96.7	Very high	95	Very high	137 Å²	137	52 Å²	52	52%	0.517	27%	0.272	S	S	.	.	H	α-helix	trans	-65.3	-35.3	172.7	-69.8	-176.8	75.1	-156.4	2.4	111.8	P48 S116 Q123 H124 F163	P48-R120 HydrophobicContact CB-CB 4.5Å; S116-R120 WeakPolarHBondContact O-CB 3.38Å; S116-R120 VanDerWaalsContact O-CG 3.27Å; S116-R120 WeakPolarHBondContact O-CG 3.29Å; S116-R120 PolarHBondContact O-N 3.23Å; R120-Q123 PolarHBondContact O-N 3.09Å; R120-H124 WeakPolarHBondContact O-CB 3.42Å; R120-H124 PolarHBondContact O-N 2.72Å; R120-F163 HydrophobicContact CG-CE1 4.38Å
121	G	97.1	Very high	94.6	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.7	-49.3	172.8	0	0	0	0	0	111.8	P48 D117 I118 H119 L125	P48-G121 WeakPolarHBondContact O-CA 3.42Å; D117-G121 WeakPolarHBondContact O-CA 3.47Å; D117-G121 PolarHBondContact O-N 3.47Å; I118-G121 WeakPolarHBondContact O-CA 3.34Å; I118-G121 PolarHBondContact O-N 2.84Å; H119-G121 VanDerWaalsContact C-N 3.29Å; H119-G121 PolarHBondContact O-N 3.25Å; G121-L125 VanDerWaalsContact O-CB 3.23Å; G121-L125 WeakPolarHBondContact O-CB 3.22Å; G121-L125 PolarHBondContact O-N 2.93Å
122	F	97.4	Very high	93.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-66.1	-43.1	177.3	-82.4	-70.9	0	0	0	112.3	I52 N56 L81 A85 A88 F108 I118 H119 H124 L125 L126 Y164	I52-F122 HydrophobicContact CD1-CB 4.42Å; I52-F122 HydrophobicContact CD1-CD1 3.93Å; I52-F122 HydrophobicContact CD1-CD2 3.96Å; I52-F122 HydrophobicContact CD1-CE1 4.12Å; I52-F122 HydrophobicContact CD1-CE2 4.14Å; I52-F122 HydrophobicContact CD1-CG 3.84Å; I52-F122 HydrophobicContact CD1-CZ 4.21Å; N56-F122 WeakPolarHBondContact OD1-CZ 3.45Å; L81-F122 HydrophobicContact CD1-CE1 4.35Å; A85-F122 HydrophobicContact CB-CD1 4Å; A85-F122 HydrophobicContact CB-CE1 4.11Å; A88-F122 HydrophobicContact CB-CD2 3.64Å; A88-F122 HydrophobicContact CB-CE2 3.35Å; A88-F122 HydrophobicContact CB-CG 4.46Å; A88-F122 HydrophobicContact CB-CZ 3.98Å; F108-F122 AromaticContact CE2-CE2 3.89Å; F108-F122 HydrophobicContact CE2-CE2 3.89Å; F108-F122 HydrophobicContact CE2-CZ 4.27Å; F108-F122 AromaticContact CZ-CE2 3.64Å; F108-F122 HydrophobicContact CZ-CE2 3.64Å; F108-F122 AromaticContact CZ-CZ 3.91Å; F108-F122 HydrophobicContact CZ-CZ 3.91Å; I118-F122 HydrophobicContact CG2-CD2 3.92Å; I118-F122 HydrophobicContact CG2-CE2 3.8Å; I118-F122 WeakPolarHBondContact O-CD2 3.35Å; I118-F122 PolarHBondContact O-N 2.79Å; H119-F122 PolarHBondContact O-N 3.35Å; F122-H124 PolarHBondContact O-N 3.04Å; F122-L125 PolarHBondContact O-N 3.32Å; F122-L126 WeakPolarHBondContact O-CB 3.18Å; F122-L126 VanDerWaalsContact O-CG 3.25Å; F122-L126 WeakPolarHBondContact O-CG 3.03Å; F122-L126 PolarHBondContact O-N 2.91Å; F122-Y164 HydrophobicContact CB-CD1 4.29Å; F122-Y164 HydrophobicContact CB-CE1 3.49Å; F122-Y164 VanDerWaalsContact CB-CE1 3.49Å; F122-Y164 HydrophobicContact CD1-CE1 4.45Å; F122-Y164 HydrophobicContact CD2-CE1 4.26Å; F122-Y164 AromaticContact CG-CE1 3.84Å; F122-Y164 HydrophobicContact CG-CE1 3.84Å
123	Q	96.5	Very high	92.6	Very high	76 Å²	76	48.7 Å²	48.7	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-58.4	-47.9	177	-176.8	-176.1	42.3	0	0	111.6	H119 R120 L125 H127 A162 F163	H119-Q123 WeakPolarHBondContact O-CB 3.4Å; H119-Q123 PolarHBondContact O-N 3Å; R120-Q123 PolarHBondContact O-N 3.09Å; Q123-L125 PolarHBondContact O-N 2.87Å; Q123-H127 VanDerWaalsContact O-CB 3.27Å; Q123-H127 WeakPolarHBondContact O-CB 2.78Å; Q123-H127 PolarHBondContact O-N 3.43Å; Q123-A162 PolarHBondContact NE2-O 3.45Å; Q123-F163 WeakPolarHBondContact CA-O 3.34Å; Q123-F163 HydrophobicContact CB-CD1 3.96Å; Q123-F163 HydrophobicContact CG-CD1 4.31Å
124	H	95.8	Very high	91.6	Very high	70 Å²	70	55.5 Å²	55.5	32%	0.324	30%	0.299	S	S	.	.	H	α-helix	trans	-62.5	-43.1	176.4	-177.1	-87.5	0	0	0	111.8	S47 P48 S49 R120 F122 T128	S47-H124 PolarHBondContact OG-CE1 2.86Å; S47-H124 PolarHBondContact OG-ND1 3.22Å; P48-H124 HydrophobicContact CB-CB 4.14Å; P48-H124 HydrophobicContact CG-CB 4.39Å; S49-H124 PolarHBondContact OG-ND1 2.96Å; R120-H124 WeakPolarHBondContact O-CB 3.42Å; R120-H124 PolarHBondContact O-N 2.72Å; F122-H124 PolarHBondContact O-N 3.04Å; H124-T128 PolarHBondContact CE1-OG1 3.47Å; H124-T128 WeakPolarHBondContact O-CB 3.34Å; H124-T128 PolarHBondContact O-N 3.17Å; H124-T128 PolarHBondContact O-OG1 3.44Å
125	L	95.4	Very high	90.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.9	-53	179.4	-168.6	164	0	0	0	111	I52 L81 G121 F122 Q123 H127 T128 I129 T413	I52-L125 HydrophobicContact CD1-CD1 4Å; L81-L125 HydrophobicContact CD1-CD1 3.76Å; L81-L125 HydrophobicContact CD1-CD2 3.53Å; L81-L125 HydrophobicContact CD1-CG 4.32Å; L81-L125 HydrophobicContact CD2-CD2 3.6Å; L81-L125 HydrophobicContact CG-CD2 4.15Å; G121-L125 VanDerWaalsContact O-CB 3.23Å; G121-L125 WeakPolarHBondContact O-CB 3.22Å; G121-L125 PolarHBondContact O-N 2.93Å; F122-L125 PolarHBondContact O-N 3.32Å; Q123-L125 PolarHBondContact O-N 2.87Å; L125-H127 VanDerWaalsContact C-N 3.33Å; L125-H127 PolarHBondContact O-N 3.05Å; L125-T128 PolarHBondContact O-N 2.91Å; L125-T128 VanDerWaalsContact O-N 3.15Å; L125-I129 HydrophobicContact CD2-CD1 3.95Å; L125-I129 HydrophobicContact CD2-CG1 4.5Å; L125-I129 HydrophobicContact CD2-CG2 4.09Å; L125-I129 WeakPolarHBondContact O-CG1 3.28Å; L125-I129 PolarHBondContact O-N 3.06Å; L125-T413 HydrophobicContact CG-CG2 4.12Å
126	L	94.1	Very high	90.3	Very high	16 Å²	16	52.4 Å²	52.4	8%	0.084	29%	0.287	C	S	.	.	H	α-helix	trans	-62.2	-40.5	-178.7	-69.5	176.3	0	0	0	111.8	A85 F122 I129 S130 V140 Y164	A85-L126 HydrophobicContact CB-CD1 4.46Å; A85-L126 HydrophobicContact CB-CD2 4.39Å; F122-L126 WeakPolarHBondContact O-CB 3.18Å; F122-L126 VanDerWaalsContact O-CG 3.25Å; F122-L126 WeakPolarHBondContact O-CG 3.03Å; F122-L126 PolarHBondContact O-N 2.91Å; L126-I129 HydrophobicContact CD2-CD1 4.14Å; L126-I129 WeakPolarHBondContact O-CG1 3.43Å; L126-S130 VanDerWaalsContact O-CB 3.24Å; L126-S130 WeakPolarHBondContact O-CB 3.37Å; L126-S130 PolarHBondContact O-N 3.42Å; L126-S130 PolarHBondContact O-OG 2.5Å; L126-V140 HydrophobicContact CD2-CB 3.74Å; L126-V140 HydrophobicContact CD2-CG1 3.86Å; L126-V140 HydrophobicContact CD2-CG2 4.38Å; L126-Y164 HydrophobicContact CD1-CD1 3.72Å; L126-Y164 HydrophobicContact CD1-CG 4.45Å
127	H	92.5	Very high	90	Very high	109 Å²	109	51.8 Å²	51.8	51%	0.505	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-50.2	172.4	178.1	-93.8	0	0	0	110.9	Q123 L125 I129 S130 L131	Q123-H127 VanDerWaalsContact O-CB 3.27Å; Q123-H127 WeakPolarHBondContact O-CB 2.78Å; Q123-H127 PolarHBondContact O-N 3.43Å; L125-H127 VanDerWaalsContact C-N 3.33Å; L125-H127 PolarHBondContact O-N 3.05Å; H127-I129 PolarHBondContact O-N 2.94Å; H127-S130 PolarHBondContact O-N 2.86Å; H127-L131 WeakPolarHBondContact O-CG 3.4Å; H127-L131 PolarHBondContact O-N 3.01Å
128	T	92.5	Very high	89.7	Confident	31 Å²	31	50.2 Å²	50.2	19%	0.19	27%	0.268	C	S	.	.	H	α-helix	trans	-60.4	-45.7	-176.6	-57.1	0	0	0	0	112.5	H124 L125 S130 L131 T413	H124-T128 PolarHBondContact CE1-OG1 3.47Å; H124-T128 WeakPolarHBondContact O-CB 3.34Å; H124-T128 PolarHBondContact O-N 3.17Å; H124-T128 PolarHBondContact O-OG1 3.44Å; L125-T128 PolarHBondContact O-N 2.91Å; L125-T128 VanDerWaalsContact O-N 3.15Å; T128-S130 VanDerWaalsContact C-N 3.29Å; T128-S130 PolarHBondContact O-N 2.88Å; T128-L131 WeakPolarHBondContact O-CB 3.14Å; T128-L131 PolarHBondContact O-N 2.8Å; T128-T413 HydrophobicContact CG2-CG2 3.72Å
129	I	90.4	Very high	89.2	Confident	12 Å²	12	54.9 Å²	54.9	6%	0.062	29%	0.285	C	S	.	.	H	α-helix	trans	-74	-21.1	-178.9	67.5	178.1	0	0	0	113.3	L81 L125 L126 H127 L131 T138 V140 T413	L81-I129 HydrophobicContact CD2-CD1 3.71Å; L125-I129 HydrophobicContact CD2-CD1 3.95Å; L125-I129 HydrophobicContact CD2-CG1 4.5Å; L125-I129 HydrophobicContact CD2-CG2 4.09Å; L125-I129 WeakPolarHBondContact O-CG1 3.28Å; L125-I129 PolarHBondContact O-N 3.06Å; L126-I129 HydrophobicContact CD2-CD1 4.14Å; L126-I129 WeakPolarHBondContact O-CG1 3.43Å; H127-I129 PolarHBondContact O-N 2.94Å; I129-L131 VanDerWaalsContact C-N 3.34Å; I129-T138 HydrophobicContact CB-CG2 4.41Å; I129-T138 HydrophobicContact CD1-CG2 4.21Å; I129-V140 HydrophobicContact CD1-CB 4.33Å; I129-V140 HydrophobicContact CD1-CG2 3.66Å; I129-T413 HydrophobicContact CG2-CG2 4.03Å
130	S	88.2	Confident	88.9	Confident	50 Å²	50	55.4 Å²	55.4	35%	0.35	29%	0.289	S	S	.	.	H	α-helix	trans	-85.5	-9.5	178.9	-57.8	0	0	0	0	112.7	L126 H127 T128	L126-S130 VanDerWaalsContact O-CB 3.24Å; L126-S130 WeakPolarHBondContact O-CB 3.37Å; L126-S130 PolarHBondContact O-N 3.42Å; L126-S130 PolarHBondContact O-OG 2.5Å; H127-S130 PolarHBondContact O-N 2.86Å; T128-S130 VanDerWaalsContact C-N 3.29Å; T128-S130 PolarHBondContact O-N 2.88Å
131	L	86.8	Confident	88.5	Confident	94 Å²	94	49.5 Å²	49.5	49%	0.492	27%	0.271	S	S	.	.	S	Bend	trans	-61.4	131.8	174.9	-69.2	175.7	0	0	0	109.9	H127 T128 I129 G133	H127-L131 WeakPolarHBondContact O-CG 3.4Å; H127-L131 PolarHBondContact O-N 3.01Å; T128-L131 WeakPolarHBondContact O-CB 3.14Å; T128-L131 PolarHBondContact O-N 2.8Å; I129-L131 VanDerWaalsContact C-N 3.34Å; L131-G133 PolarHBondContact O-N 2.88Å; L131-G133 VanDerWaalsContact O-N 3.1Å
132	P	76.5	Confident	88.4	Confident	127 Å²	127	49.8 Å²	49.8	83%	0.825	27%	0.273	S	S	*	.	P	Polyproline II helix	trans	-58.7	117	177	-23.8	33.3	0	0	0	111.3
133	G	71.4	Confident	88.3	Confident	34 Å²	34	49.8 Å²	49.8	35%	0.351	27%	0.273	S	S	.	.	B	Isolated β-bridge	trans	-100.8	158.9	173.3	0	0	0	0	0	111.8	L131 G135 L136	L131-G133 PolarHBondContact O-N 2.88Å; L131-G133 VanDerWaalsContact O-N 3.1Å; G133-G135 VanDerWaalsContact C-N 3.33Å; G133-G135 PolarHBondContact O-N 3.23Å; G133-L136 PolarHBondContact N-O 2.88Å; G133-L136 PolarHBondContact O-N 3.44Å
134	H	74.3	Confident	88.3	Confident	174 Å²	174	46.2 Å²	46.2	81%	0.806	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	89.2	173.9	-72.2	-66	0	0	0	111.5	K272	H134-K272 WeakPolarHBondContact O-CB 3.46Å
135	G	75.8	Confident	88.3	Confident	29 Å²	29	42.9 Å²	42.9	30%	0.299	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	18.3	-179.8	0	0	0	0	0	114.7	G133 A218 L219	G133-G135 VanDerWaalsContact C-N 3.33Å; G133-G135 PolarHBondContact O-N 3.23Å; G135-A218 CarbonylContact O-C 3.6Å; G135-A218 VanDerWaalsContact O-CA 3.29Å; G135-A218 WeakPolarHBondContact O-CA 3.3Å; G135-L219 PolarHBondContact O-N 2.91Å
136	L	87.3	Confident	88.4	Confident	19 Å²	19	42.9 Å²	42.9	10%	0.099	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.2	171.5	175.5	65	0	0	0	109.3	G133 F216 K217 A218 K272 A275	G133-L136 PolarHBondContact N-O 2.88Å; G133-L136 PolarHBondContact O-N 3.44Å; L136-F216 HydrophobicContact CD1-CD2 4.31Å; L136-F216 HydrophobicContact CD1-CE2 3.56Å; L136-F216 HydrophobicContact CD1-CZ 3.99Å; L136-K217 CarbonylContact C-O 3.3Å; L136-K217 WeakPolarHBondContact CA-O 3.31Å; L136-A218 HydrophobicContact CD1-CB 3.65Å; L136-K272 WeakPolarHBondContact CB-O 3.27Å; L136-A275 HydrophobicContact CD1-CB 4.01Å; L136-A275 HydrophobicContact CD2-CB 3.76Å
137	E	89.8	Confident	88.5	Confident	60 Å²	60	42.5 Å²	42.5	28%	0.28	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	116.1	172.2	-64.8	-179	-125.7	0	0	108.3	R192 Y215 F216 K217	E137-R192 IonicContact OE1-NH1 3.15Å; E137-R192 IonicContact OE2-CZ 3.73Å; E137-R192 IonicContact OE2-NH1 3.51Å; E137-R192 PolarHBondContact OE2-NH1 3.11Å; E137-R192 IonicContact OE2-NH2 3.09Å; E137-R192 PolarHBondContact OE2-NH2 3.37Å; E137-Y215 HydrophobicContact CB-CE1 4.16Å; E137-F216 WeakPolarHBondContact O-CA 3.47Å; E137-K217 HydrophobicContact CB-CB 4.32Å; E137-K217 PolarHBondContact N-O 3.33Å; E137-K217 PolarHBondContact O-N 2.97Å; E137-K217 IonicContact OE1-NZ 2.71Å
138	T	89.1	Confident	88.5	Confident	6 Å²	6	41.4 Å²	41.4	4%	0.037	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	121.9	173.4	-54.6	0	0	0	0	108.4	I129 I214 Y215 F216 L417	I129-T138 HydrophobicContact CB-CG2 4.41Å; I129-T138 HydrophobicContact CD1-CG2 4.21Å; T138-I214 HydrophobicContact CG2-CD1 4.07Å; T138-I214 HydrophobicContact CG2-CG1 4.41Å; T138-Y215 WeakPolarHBondContact CA-O 3.31Å; T138-F216 HydrophobicContact CG2-CD2 4.32Å; T138-F216 WeakPolarHBondContact OG1-CD2 3.33Å; T138-L417 HydrophobicContact CG2-CD1 4.49Å
139	R	87	Confident	88.6	Confident	99 Å²	99	44.6 Å²	44.6	37%	0.374	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	110.3	175.2	-65.4	-179	71.1	-137.1	-2.2	109	E190 I214 Y215	R139-E190 IonicContact CZ-OE2 2.57Å; R139-E190 PolarHBondContact NH1-O 3.34Å; R139-E190 IonicContact NH1-OE2 3.72Å; R139-E190 IonicContact NH2-OE2 3.67Å; R139-E190 PolarHBondContact NH2-OE2 3.27Å; R139-E190 VanDerWaalsContact NH2-OE2 3.09Å; R139-I214 CarbonylContact O-C 3.56Å; R139-I214 WeakPolarHBondContact O-CA 3.21Å; R139-Y215 PolarHBondContact N-O 3.23Å; R139-Y215 PolarHBondContact O-N 2.92Å
140	V	91.7	Very high	88.8	Confident	21 Å²	21	44.7 Å²	44.7	13%	0.127	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.2	170.7	174.6	0	0	0	0	107.7	L81 A85 L126 I129 I214	L81-V140 HydrophobicContact CD2-CG2 4.09Å; L81-V140 HydrophobicContact CG-CG2 4.4Å; A85-V140 HydrophobicContact CB-CG1 4.35Å; L126-V140 HydrophobicContact CD2-CB 3.74Å; L126-V140 HydrophobicContact CD2-CG1 3.86Å; L126-V140 HydrophobicContact CD2-CG2 4.38Å; I129-V140 HydrophobicContact CD1-CB 4.33Å; I129-V140 HydrophobicContact CD1-CG2 3.66Å; V140-I214 HydrophobicContact CG2-CB 4.4Å; V140-I214 HydrophobicContact CG2-CD1 3.71Å; V140-I214 HydrophobicContact CG2-CG1 3.91Å
141	G	89.6	Confident	89.2	Confident	12 Å²	12	49.4 Å²	49.4	12%	0.124	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	152.9	179.4	0	0	0	0	0	112.1	Y213	G141-Y213 PolarHBondContact N-O 3.12Å; G141-Y213 PolarHBondContact O-N 2.79Å; G141-Y213 VanDerWaalsContact O-N 3.09Å
142	S	93.8	Very high	89.6	Confident	7 Å²	7	46 Å²	46	5%	0.049	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	138.5	175	-61	0	0	0	0	109.3	A86 A166 K167 V211	A86-S142 WeakPolarHBondContact CA-OG 3.5Å; A86-S142 VanDerWaalsContact CB-OG 3.28Å; A86-S142 WeakPolarHBondContact CB-OG 3.39Å; S142-A166 WeakPolarHBondContact O-CA 3.24Å; S142-K167 PolarHBondContact O-N 2.92Å; S142-V211 WeakPolarHBondContact CA-O 3.31Å
143	A	95.9	Very high	90.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.7	174.9	0	0	0	0	0	111.3	F145 K167 F169 H186 V211	A143-F145 HydrophobicContact CB-CE2 3.84Å; A143-F145 HydrophobicContact CB-CZ 4.26Å; A143-K167 CarbonylContact C-O 3.55Å; A143-K167 WeakPolarHBondContact CA-O 3.46Å; A143-K167 HydrophobicContact CB-CB 4.16Å; A143-K167 WeakPolarHBondContact CB-O 3.37Å; A143-F169 HydrophobicContact CB-CD2 4.43Å; A143-F169 HydrophobicContact CB-CE2 4.12Å; A143-H186 WeakPolarHBondContact CB-NE2 3.37Å; A143-V211 HydrophobicContact CB-CG2 3.81Å; A143-V211 PolarHBondContact N-O 3.35Å; A143-V211 PolarHBondContact O-N 3.31Å
144	L	96.6	Very high	91.9	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.2	178.9	-175.2	157.4	0	0	0	109.5	L90 L146 F152 F156 K167 L168 F169 M208 V209 L210	L90-L144 HydrophobicContact CD1-CD1 3.73Å; L144-L146 HydrophobicContact CD2-CB 4.26Å; L144-F152 HydrophobicContact CD2-CE1 3.6Å; L144-F152 HydrophobicContact CD2-CZ 3.61Å; L144-F156 HydrophobicContact CD1-CZ 4.32Å; L144-K167 PolarHBondContact N-O 2.95Å; L144-L168 HydrophobicContact CB-CD2 3.59Å; L144-L168 HydrophobicContact CD2-CD2 4.36Å; L144-L168 HydrophobicContact CG-CD2 4.46Å; L144-L168 WeakPolarHBondContact O-CA 3.26Å; L144-F169 PolarHBondContact O-N 2.93Å; L144-M208 HydrophobicContact CD1-CG 4.33Å; L144-M208 HydrophobicContact CD1-SD 3.79Å; L144-M208 HydrophobicContact CD2-CG 3.86Å; L144-M208 HydrophobicContact CD2-SD 3.9Å; L144-M208 HydrophobicContact CG-CG 3.98Å; L144-M208 HydrophobicContact CG-SD 4.06Å; L144-V209 WeakPolarHBondContact CA-O 3.41Å; L144-L210 HydrophobicContact CB-CD1 4.35Å
145	F	96.8	Very high	92.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	118.5	-178.8	-60.4	-96.7	0	0	0	107.8	A143 F169 T171 F173 L182 I183 H186 M208 V209 V211	A143-F145 HydrophobicContact CB-CE2 3.84Å; A143-F145 HydrophobicContact CB-CZ 4.26Å; F145-F169 WeakPolarHBondContact CA-O 3.44Å; F145-F169 HydrophobicContact CD1-CB 3.57Å; F145-F169 AromaticContact CD1-CD2 3.86Å; F145-F169 HydrophobicContact CD1-CD2 3.86Å; F145-F169 HydrophobicContact CD1-CG 4.01Å; F145-F169 HydrophobicContact CE1-CB 3.88Å; F145-F169 AromaticContact CE1-CD2 3.4Å; F145-F169 HydrophobicContact CE1-CD2 3.4Å; F145-F169 HydrophobicContact CE1-CE2 4.09Å; F145-F169 AromaticContact CE1-CG 3.78Å; F145-F169 HydrophobicContact CE1-CG 3.78Å; F145-F169 HydrophobicContact CE2-CD2 4.33Å; F145-F169 HydrophobicContact CG-CB 4.36Å; F145-F169 AromaticContact CZ-CD2 3.67Å; F145-F169 HydrophobicContact CZ-CD2 3.67Å; F145-F169 HydrophobicContact CZ-CE2 4.03Å; F145-F169 HydrophobicContact CZ-CG 4.48Å; F145-T171 HydrophobicContact CB-CG2 4.04Å; F145-T171 HydrophobicContact CD1-CG2 3.61Å; F145-T171 HydrophobicContact CG-CG2 4.3Å; F145-F173 HydrophobicContact CB-CZ 4.16Å; F145-L182 HydrophobicContact CD1-CD2 4.31Å; F145-L182 HydrophobicContact CE1-CD2 4.19Å; F145-L182 HydrophobicContact CE1-CG 4.19Å; F145-I183 HydrophobicContact CD1-CG1 3.9Å; F145-I183 HydrophobicContact CD2-CD1 4.37Å; F145-I183 HydrophobicContact CD2-CG1 3.84Å; F145-I183 HydrophobicContact CE1-CG1 3.84Å; F145-I183 HydrophobicContact CE2-CB 4.35Å; F145-I183 HydrophobicContact CE2-CG1 3.78Å; F145-I183 HydrophobicContact CE2-CG2 4.18Å; F145-I183 HydrophobicContact CG-CD1 4.39Å; F145-I183 HydrophobicContact CG-CG1 3.9Å; F145-I183 HydrophobicContact CZ-CB 4.23Å; F145-I183 HydrophobicContact CZ-CG1 3.78Å; F145-I183 HydrophobicContact CZ-CG2 4.43Å; F145-H186 HydrophobicContact CZ-CB 4.25Å; F145-M208 CarbonylContact O-C 3.58Å; F145-M208 VanDerWaalsContact O-CA 3.29Å; F145-M208 WeakPolarHBondContact O-CA 3.25Å; F145-V209 HydrophobicContact CB-CB 4.37Å; F145-V209 PolarHBondContact N-O 3.24Å; F145-V209 PolarHBondContact O-N 3.25Å; F145-V211 HydrophobicContact CE2-CG2 3.76Å
146	L	96.6	Very high	94	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.2	-179.1	-174.2	68.3	0	0	0	110.3	L144 H148 L150 F152 F169 H170 T171 M208 I352 L358	L144-L146 HydrophobicContact CD2-CB 4.26Å; L146-H148 PolarHBondContact O-N 3.41Å; L146-L150 HydrophobicContact CD1-CB 4.42Å; L146-L150 HydrophobicContact CD1-CD1 4.12Å; L146-L150 HydrophobicContact CD2-CB 3.87Å; L146-L150 HydrophobicContact CG-CB 4.05Å; L146-F152 HydrophobicContact CB-CE1 3.92Å; L146-F152 HydrophobicContact CB-CE2 3.88Å; L146-F152 HydrophobicContact CB-CZ 3.35Å; L146-F152 HydrophobicContact CD2-CD1 3.8Å; L146-F152 HydrophobicContact CD2-CD2 4.24Å; L146-F152 HydrophobicContact CD2-CE1 3.59Å; L146-F152 HydrophobicContact CD2-CE2 4.05Å; L146-F152 HydrophobicContact CD2-CG 4.13Å; L146-F152 HydrophobicContact CD2-CZ 3.73Å; L146-F152 HydrophobicContact CG-CE1 4.31Å; L146-F152 HydrophobicContact CG-CZ 4.15Å; L146-F169 PolarHBondContact N-O 3.48Å; L146-H170 CarbonylContact O-C 3.57Å; L146-H170 VanDerWaalsContact O-CA 3.31Å; L146-H170 WeakPolarHBondContact O-CA 3.42Å; L146-T171 PolarHBondContact O-N 2.74Å; L146-M208 HydrophobicContact CD1-CB 4.31Å; L146-M208 HydrophobicContact CD1-CG 4.36Å; L146-I352 HydrophobicContact CD2-CG2 4.47Å; L146-L358 HydrophobicContact CD1-CD1 3.83Å; L146-L358 HydrophobicContact CD1-CD2 4.14Å
147	S	95.5	Very high	94.4	Very high	8 Å²	8	43.2 Å²	43.2	6%	0.056	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	131.6	174.3	-173.6	0	0	0	0	110.6	N149 L150 T171 L207	S147-N149 PolarHBondContact O-N 3.28Å; S147-L150 PolarHBondContact O-N 2.89Å; S147-T171 CarbonylContact C-O 3.51Å; S147-T171 WeakPolarHBondContact CA-O 3.37Å; S147-L207 PolarHBondContact N-O 2.88Å
148	H	93.9	Very high	94.7	Very high	86 Å²	86	45.6 Å²	45.6	40%	0.398	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.5	-175.8	67.4	-81.4	0	0	0	114.7	L146 L150 H170 T171 N172	L146-H148 PolarHBondContact O-N 3.41Å; H148-L150 PolarHBondContact O-N 3.24Å; H148-H170 HydrophobicContact CB-CB 4.29Å; H148-T171 PolarHBondContact N-O 3.34Å; H148-T171 PolarHBondContact ND1-O 3.44Å; H148-N172 PolarHBondContact CE1-OD1 3.09Å
149	N	93.1	Very high	95	Very high	99 Å²	99	46.8 Å²	46.8	53%	0.529	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-10	176.9	-65.6	-46.3	0	0	0	113.4	S147	S147-N149 PolarHBondContact O-N 3.28Å
150	L	94.9	Very high	95.4	Very high	13 Å²	13	42 Å²	42	7%	0.068	22%	0.22	C	C	.	.	S	Bend	trans	-111.5	133.6	-179.1	-56.9	176.6	0	0	0	109.4	L146 S147 H148 H170 Q355 R356 L358	L146-L150 HydrophobicContact CD1-CB 4.42Å; L146-L150 HydrophobicContact CD1-CD1 4.12Å; L146-L150 HydrophobicContact CD2-CB 3.87Å; L146-L150 HydrophobicContact CG-CB 4.05Å; S147-L150 PolarHBondContact O-N 2.89Å; H148-L150 PolarHBondContact O-N 3.24Å; L150-H170 PolarHBondContact O-CE1 3.19Å; L150-H170 PolarHBondContact O-ND1 3.42Å; L150-Q355 HydrophobicContact CD2-CB 4.04Å; L150-R356 HydrophobicContact CD2-CB 3.8Å; L150-L358 HydrophobicContact CD1-CD2 3.58Å; L150-L358 HydrophobicContact CD1-CG 4.44Å
151	K	96.1	Very high	95.5	Very high	150 Å²	150	44.8 Å²	44.8	65%	0.652	24%	0.237	S	C	*	.	P	Polyproline II helix	trans	-96.9	135.1	178.8	-62.4	-177.7	179	-178.1	0	109.6	T353	K151-T353 VanDerWaalsContact O-CB 3.23Å; K151-T353 WeakPolarHBondContact O-CB 3.42Å; K151-T353 PolarHBondContact O-OG1 2.96Å
152	F	96.8	Very high	95.7	Very high	22 Å²	22	47 Å²	47	10%	0.096	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-68	144.8	168.7	-71.6	-70	0	0	0	111.1	L144 L146 F156 L157 L168 H170 I352	L144-F152 HydrophobicContact CD2-CE1 3.6Å; L144-F152 HydrophobicContact CD2-CZ 3.61Å; L146-F152 HydrophobicContact CB-CE1 3.92Å; L146-F152 HydrophobicContact CB-CE2 3.88Å; L146-F152 HydrophobicContact CB-CZ 3.35Å; L146-F152 HydrophobicContact CD2-CD1 3.8Å; L146-F152 HydrophobicContact CD2-CD2 4.24Å; L146-F152 HydrophobicContact CD2-CE1 3.59Å; L146-F152 HydrophobicContact CD2-CE2 4.05Å; L146-F152 HydrophobicContact CD2-CG 4.13Å; L146-F152 HydrophobicContact CD2-CZ 3.73Å; L146-F152 HydrophobicContact CG-CE1 4.31Å; L146-F152 HydrophobicContact CG-CZ 4.15Å; F152-F156 AromaticContact CD1-CD1 3.85Å; F152-F156 HydrophobicContact CD1-CD1 3.85Å; F152-F156 HydrophobicContact CD1-CE1 4.1Å; F152-F156 HydrophobicContact CE1-CD1 4.27Å; F152-F156 HydrophobicContact CE1-CE1 4.04Å; F152-L157 HydrophobicContact CB-CD1 4.04Å; F152-L157 HydrophobicContact CB-CD2 3.46Å; F152-L157 VanDerWaalsContact CB-CD2 3.46Å; F152-L157 HydrophobicContact CB-CG 3.68Å; F152-L157 HydrophobicContact CD1-CD2 4.34Å; F152-L157 HydrophobicContact CD2-CD2 3.8Å; F152-L157 HydrophobicContact CG-CD2 3.63Å; F152-L157 HydrophobicContact CG-CG 4.39Å; F152-L168 HydrophobicContact CE2-CB 4.01Å; F152-L168 HydrophobicContact CZ-CB 4.08Å; F152-L168 HydrophobicContact CZ-CD2 4.47Å; F152-H170 AromaticContact CD2-CE1 3.46Å; F152-H170 VanDerWaalsContact CD2-CE1 3.46Å; F152-H170 WeakPolarHBondContact CD2-CE1 3.49Å; F152-H170 AromaticContact CD2-NE2 3.56Å; F152-H170 AromaticContact CE2-CE1 3.65Å; F152-H170 AromaticContact CE2-NE2 3.94Å; F152-I352 CarbonylContact C-O 3.49Å; F152-I352 WeakPolarHBondContact CA-O 3.41Å; F152-I352 HydrophobicContact CD1-CG2 3.7Å; F152-I352 HydrophobicContact CE1-CG2 3.75Å
153	L	97.6	Very high	95.7	Very high	51 Å²	51	49.2 Å²	49.2	27%	0.267	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-72.6	136.6	165.7	-63.4	-172.1	0	0	0	110.2	K155 F156 L157 S350 G351 I352 K354	L153-K155 PolarHBondContact O-N 2.78Å; L153-F156 PolarHBondContact O-N 3.1Å; L153-L157 PolarHBondContact O-N 3.44Å; L153-L157 VanDerWaalsContact O-N 3.11Å; L153-S350 WeakPolarHBondContact CD1-O 3.27Å; L153-G351 WeakPolarHBondContact CD1-O 3.4Å; L153-I352 PolarHBondContact N-O 3.39Å; L153-K354 HydrophobicContact CD1-CG 4.15Å; L153-K354 HydrophobicContact CD2-CG 4.27Å
154	A	97.4	Very high	95.7	Very high	68 Å²	68	49.9 Å²	49.9	56%	0.562	27%	0.266	S	S	*	.	H	α-helix	trans	-56.6	-35.9	-179.4	0	0	0	0	0	112.8	L157 N158	A154-L157 PolarHBondContact O-N 3Å; A154-N158 WeakPolarHBondContact O-CB 3.13Å; A154-N158 PolarHBondContact O-N 3.21Å
155	K	96.7	Very high	95.5	Very high	142 Å²	142	56.1 Å²	56.1	62%	0.617	30%	0.295	S	S	*	.	H	α-helix	trans	-60.9	-46.8	175.9	-179.8	162.8	176.2	47.6	0	111.9	L153 N158 D159	L153-K155 PolarHBondContact O-N 2.78Å; K155-N158 PolarHBondContact O-N 3.45Å; K155-D159 WeakPolarHBondContact CE-OD2 3.26Å; K155-D159 VanDerWaalsContact CG-OD2 3.29Å; K155-D159 WeakPolarHBondContact CG-OD2 3.47Å; K155-D159 IonicContact NZ-OD1 2.69Å; K155-D159 PolarHBondContact NZ-OD1 2.8Å; K155-D159 IonicContact NZ-OD2 2.7Å; K155-D159 PolarHBondContact NZ-OD2 3.15Å; K155-D159 WeakPolarHBondContact O-CB 3.25Å; K155-D159 PolarHBondContact O-N 2.99Å
156	F	97.2	Very high	95.3	Very high	3 Å²	3	56.3 Å²	56.3	1%	0.013	30%	0.297	C	S	.	.	H	α-helix	trans	-63.8	-42.9	178.3	-177.4	-106.1	0	0	0	111.8	M89 L92 G93 L144 F152 L153 N158 T160 L168 G351 I352	M89-F156 HydrophobicContact SD-CZ 4.18Å; L92-F156 HydrophobicContact CB-CD2 4.3Å; L92-F156 HydrophobicContact CB-CE2 4.34Å; G93-F156 VanDerWaalsContact CA-CD2 3.46Å; L144-F156 HydrophobicContact CD1-CZ 4.32Å; F152-F156 AromaticContact CD1-CD1 3.85Å; F152-F156 HydrophobicContact CD1-CD1 3.85Å; F152-F156 HydrophobicContact CD1-CE1 4.1Å; F152-F156 HydrophobicContact CE1-CD1 4.27Å; F152-F156 HydrophobicContact CE1-CE1 4.04Å; L153-F156 PolarHBondContact O-N 3.1Å; F156-N158 PolarHBondContact O-N 3.18Å; F156-T160 HydrophobicContact CD1-CG2 4.37Å; F156-T160 HydrophobicContact CD2-CG2 3.8Å; F156-T160 HydrophobicContact CE1-CG2 4.11Å; F156-T160 HydrophobicContact CE2-CG2 3.48Å; F156-T160 VanDerWaalsContact CE2-CG2 3.48Å; F156-T160 HydrophobicContact CG-CG2 4.24Å; F156-T160 HydrophobicContact CZ-CG2 3.66Å; F156-T160 WeakPolarHBondContact O-CB 3.19Å; F156-T160 WeakPolarHBondContact O-CG2 3.26Å; F156-T160 PolarHBondContact O-N 3.43Å; F156-T160 PolarHBondContact O-OG1 3.48Å; F156-L168 HydrophobicContact CD1-CD1 4.11Å; F156-L168 HydrophobicContact CE1-CD1 3.99Å; F156-L168 HydrophobicContact CE1-CD2 4.23Å; F156-G351 WeakPolarHBondContact CB-O 3.18Å; F156-I352 HydrophobicContact CD1-CG1 4.47Å; F156-I352 HydrophobicContact CD1-CG2 4.19Å; F156-I352 HydrophobicContact CD2-CG1 4.32Å; F156-I352 HydrophobicContact CE1-CG1 4.21Å; F156-I352 HydrophobicContact CE1-CG2 4.09Å; F156-I352 HydrophobicContact CE2-CG1 4.06Å; F156-I352 HydrophobicContact CZ-CD1 4.22Å; F156-I352 HydrophobicContact CZ-CG1 4Å
157	L	95.6	Very high	95.2	Very high	61 Å²	61	60.6 Å²	60.6	32%	0.319	32%	0.315	S	S	.	.	H	α-helix	trans	-56.9	-48.5	174.8	-64.4	179.6	0	0	0	111.7	F152 L153 A154 T160 T161 L168	F152-L157 HydrophobicContact CB-CD1 4.04Å; F152-L157 HydrophobicContact CB-CD2 3.46Å; F152-L157 VanDerWaalsContact CB-CD2 3.46Å; F152-L157 HydrophobicContact CB-CG 3.68Å; F152-L157 HydrophobicContact CD1-CD2 4.34Å; F152-L157 HydrophobicContact CD2-CD2 3.8Å; F152-L157 HydrophobicContact CG-CD2 3.63Å; F152-L157 HydrophobicContact CG-CG 4.39Å; L153-L157 PolarHBondContact O-N 3.44Å; L153-L157 VanDerWaalsContact O-N 3.11Å; A154-L157 PolarHBondContact O-N 3Å; L157-T160 PolarHBondContact O-OG1 2.93Å; L157-T161 WeakPolarHBondContact O-CB 3.23Å; L157-T161 PolarHBondContact O-N 3.44Å; L157-T161 PolarHBondContact O-OG1 3.05Å; L157-L168 HydrophobicContact CD2-CB 4.2Å; L157-L168 HydrophobicContact CD2-CD1 3.33Å; L157-L168 HydrophobicContact CD2-CG 4.38Å; L157-L168 HydrophobicContact CG-CD1 4.49Å
158	N	96.6	Very high	95.2	Very high	110 Å²	110	61.9 Å²	61.9	59%	0.588	32%	0.321	S	S	*	.	H	α-helix	trans	-68	-47.8	-177.1	-73.1	-0.3	0	0	0	111.9	A154 K155 F156 T161 A162	A154-N158 WeakPolarHBondContact O-CB 3.13Å; A154-N158 PolarHBondContact O-N 3.21Å; K155-N158 PolarHBondContact O-N 3.45Å; F156-N158 PolarHBondContact O-N 3.18Å; N158-T161 PolarHBondContact O-N 3.2Å; N158-A162 WeakPolarHBondContact O-CB 3.43Å; N158-A162 PolarHBondContact O-N 3.08Å
159	D	96.3	Very high	95.4	Very high	30 Å²	30	60.8 Å²	60.8	16%	0.16	32%	0.316	C	S	.	.	H	α-helix	trans	-65.7	-45.2	-176.2	-64.9	-15.1	0	0	0	111	L92 K155 T161 A162 F163	L92-D159 HydrophobicContact CD1-CB 3.87Å; L92-D159 HydrophobicContact CD2-CB 4.38Å; K155-D159 WeakPolarHBondContact CE-OD2 3.26Å; K155-D159 VanDerWaalsContact CG-OD2 3.29Å; K155-D159 WeakPolarHBondContact CG-OD2 3.47Å; K155-D159 IonicContact NZ-OD1 2.69Å; K155-D159 PolarHBondContact NZ-OD1 2.8Å; K155-D159 IonicContact NZ-OD2 2.7Å; K155-D159 PolarHBondContact NZ-OD2 3.15Å; K155-D159 WeakPolarHBondContact O-CB 3.25Å; K155-D159 PolarHBondContact O-N 2.99Å; D159-T161 VanDerWaalsContact C-N 3.34Å; D159-T161 PolarHBondContact O-N 2.76Å; D159-A162 PolarHBondContact O-N 2.68Å; D159-F163 HydrophobicContact CB-CD2 4.33Å; D159-F163 VanDerWaalsContact O-CD2 3.25Å; D159-F163 WeakPolarHBondContact O-CD2 3.45Å; D159-F163 PolarHBondContact O-N 3.15Å
160	T	95.9	Very high	95.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66	-36.1	179.6	56.7	0	0	0	0	112.5	M89 L92 F156 L157 Y164 E165 A166 L168	M89-T160 HydrophobicContact CG-CG2 3.71Å; M89-T160 HydrophobicContact SD-CG2 3.46Å; M89-T160 WeakPolarHBondContact SD-CG2 3.23Å; L92-T160 HydrophobicContact CD1-CG2 4.04Å; F156-T160 HydrophobicContact CD1-CG2 4.37Å; F156-T160 HydrophobicContact CD2-CG2 3.8Å; F156-T160 HydrophobicContact CE1-CG2 4.11Å; F156-T160 HydrophobicContact CE2-CG2 3.48Å; F156-T160 VanDerWaalsContact CE2-CG2 3.48Å; F156-T160 HydrophobicContact CG-CG2 4.24Å; F156-T160 HydrophobicContact CZ-CG2 3.66Å; F156-T160 WeakPolarHBondContact O-CB 3.19Å; F156-T160 WeakPolarHBondContact O-CG2 3.26Å; F156-T160 PolarHBondContact O-N 3.43Å; F156-T160 PolarHBondContact O-OG1 3.48Å; L157-T160 PolarHBondContact O-OG1 2.93Å; T160-Y164 CarbonylContact O-C 3.6Å; T160-Y164 WeakPolarHBondContact O-CA 3.13Å; T160-Y164 WeakPolarHBondContact O-CB 3.22Å; T160-Y164 PolarHBondContact O-N 3.4Å; T160-Y164 VanDerWaalsContact O-N 3.11Å; T160-E165 PolarHBondContact O-N 2.95Å; T160-A166 PolarHBondContact O-N 3.49Å; T160-L168 WeakPolarHBondContact OG1-CD1 3.41Å
161	T	92.7	Very high	95.6	Very high	78 Å²	78	60.5 Å²	60.5	48%	0.479	31%	0.311	S	S	.	.	H	α-helix	trans	-69	-43.9	174.2	-55.8	0	0	0	0	111.1	L157 N158 D159 E165	L157-T161 WeakPolarHBondContact O-CB 3.23Å; L157-T161 PolarHBondContact O-N 3.44Å; L157-T161 PolarHBondContact O-OG1 3.05Å; N158-T161 PolarHBondContact O-N 3.2Å; D159-T161 VanDerWaalsContact C-N 3.34Å; D159-T161 PolarHBondContact O-N 2.76Å; T161-E165 WeakPolarHBondContact O-CA 3.36Å; T161-E165 PolarHBondContact O-N 3.44Å; T161-E165 VanDerWaalsContact O-N 3.09Å
162	A	93.2	Very high	95.5	Very high	59 Å²	59	56.6 Å²	56.6	49%	0.488	30%	0.297	S	S	.	.	H	α-helix	trans	-71	-39.6	-175	0	0	0	0	0	113.6	Q123 N158 D159	Q123-A162 PolarHBondContact NE2-O 3.45Å; N158-A162 WeakPolarHBondContact O-CB 3.43Å; N158-A162 PolarHBondContact O-N 3.08Å; D159-A162 PolarHBondContact O-N 2.68Å
163	F	94.2	Very high	95.4	Very high	53 Å²	53	55.8 Å²	55.8	23%	0.232	29%	0.294	C	S	.	.	H	α-helix	trans	-91.1	-29.6	-177.3	-69.6	-68.7	0	0	0	113.6	L92 H119 R120 Q123 D159	L92-F163 HydrophobicContact CD1-CD2 4.45Å; H119-F163 HydrophobicContact CB-CD1 4.23Å; H119-F163 HydrophobicContact CB-CE1 4.41Å; H119-F163 HydrophobicContact CB-CG 4.37Å; R120-F163 HydrophobicContact CG-CE1 4.38Å; Q123-F163 WeakPolarHBondContact CA-O 3.34Å; Q123-F163 HydrophobicContact CB-CD1 3.96Å; Q123-F163 HydrophobicContact CG-CD1 4.31Å; D159-F163 HydrophobicContact CB-CD2 4.33Å; D159-F163 VanDerWaalsContact O-CD2 3.25Å; D159-F163 WeakPolarHBondContact O-CD2 3.45Å; D159-F163 PolarHBondContact O-N 3.15Å
164	Y	95.6	Very high	95.2	Very high	14 Å²	14	60.7 Å²	60.7	6%	0.055	31%	0.31	C	S	.	.	H	α-helix	trans	-130.6	-3.1	-167.6	-59.8	-86.5	0	0	0	114.8	A85 A88 M89 L92 H119 F122 L126 T160 A166	A85-Y164 WeakPolarHBondContact O-CE1 3.32Å; A88-Y164 HydrophobicContact CB-CE1 4.25Å; A88-Y164 VanDerWaalsContact CB-OH 3.22Å; A88-Y164 WeakPolarHBondContact CB-OH 3.47Å; A88-Y164 PolarHBondContact O-OH 3.33Å; M89-Y164 HydrophobicContact CB-CD1 3.95Å; M89-Y164 HydrophobicContact CB-CD2 3.65Å; M89-Y164 HydrophobicContact CB-CE1 4.18Å; M89-Y164 HydrophobicContact CB-CE2 3.89Å; M89-Y164 HydrophobicContact CB-CG 3.67Å; M89-Y164 HydrophobicContact CG-CD2 3.74Å; M89-Y164 HydrophobicContact CG-CE2 4.36Å; M89-Y164 HydrophobicContact CG-CG 3.89Å; L92-Y164 HydrophobicContact CD1-CD2 4.07Å; L92-Y164 HydrophobicContact CD1-CE2 3.68Å; L92-Y164 HydrophobicContact CG-CE2 4.48Å; H119-Y164 AromaticContact ND1-CZ 3.79Å; H119-Y164 PolarHBondContact ND1-OH 2.72Å; F122-Y164 HydrophobicContact CB-CD1 4.29Å; F122-Y164 HydrophobicContact CB-CE1 3.49Å; F122-Y164 VanDerWaalsContact CB-CE1 3.49Å; F122-Y164 HydrophobicContact CD1-CE1 4.45Å; F122-Y164 HydrophobicContact CD2-CE1 4.26Å; F122-Y164 AromaticContact CG-CE1 3.84Å; F122-Y164 HydrophobicContact CG-CE1 3.84Å; L126-Y164 HydrophobicContact CD1-CD1 3.72Å; L126-Y164 HydrophobicContact CD1-CG 4.45Å; T160-Y164 CarbonylContact O-C 3.6Å; T160-Y164 WeakPolarHBondContact O-CA 3.13Å; T160-Y164 WeakPolarHBondContact O-CB 3.22Å; T160-Y164 PolarHBondContact O-N 3.4Å; T160-Y164 VanDerWaalsContact O-N 3.11Å; Y164-A166 PolarHBondContact O-N 2.92Å
165	E	92.1	Very high	95.1	Very high	131 Å²	131	61.4 Å²	61.4	61%	0.612	30%	0.304	S	S	*	.			trans	53.3	26.1	-174.4	-58.2	-178.4	-163.1	0	0	113.7	T160 T161	T160-E165 PolarHBondContact O-N 2.95Å; T161-E165 WeakPolarHBondContact O-CA 3.36Å; T161-E165 PolarHBondContact O-N 3.44Å; T161-E165 VanDerWaalsContact O-N 3.09Å
166	A	92.9	Very high	95	Very high	4 Å²	4	56.2 Å²	56.2	3%	0.033	28%	0.284	C	S	.	.			trans	-63.6	150.1	-173.2	0	0	0	0	0	112	M89 S142 T160 Y164	M89-A166 HydrophobicContact CE-CB 4.31Å; M89-A166 HydrophobicContact CG-CB 4.05Å; M89-A166 HydrophobicContact SD-CB 4.26Å; S142-A166 WeakPolarHBondContact O-CA 3.24Å; T160-A166 PolarHBondContact O-N 3.49Å; Y164-A166 PolarHBondContact O-N 2.92Å
167	K	95	Very high	95	Very high	90 Å²	90	61 Å²	61	39%	0.391	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.1	176.5	-56	-56.7	-179	-161.9	0	110.5	S142 A143 L144 F169	S142-K167 PolarHBondContact O-N 2.92Å; A143-K167 CarbonylContact C-O 3.55Å; A143-K167 WeakPolarHBondContact CA-O 3.46Å; A143-K167 HydrophobicContact CB-CB 4.16Å; A143-K167 WeakPolarHBondContact CB-O 3.37Å; L144-K167 PolarHBondContact N-O 2.95Å; K167-F169 HydrophobicContact CB-CD2 4.41Å; K167-F169 HydrophobicContact CB-CE2 3.5Å; K167-F169 HydrophobicContact CB-CZ 3.81Å
168	L	96.1	Very high	95	Very high	36 Å²	36	59.3 Å²	59.3	19%	0.188	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	129.2	-177.5	-57.9	-180	0	0	0	109.6	L144 F152 F156 L157 T160	L144-L168 HydrophobicContact CB-CD2 3.59Å; L144-L168 HydrophobicContact CD2-CD2 4.36Å; L144-L168 HydrophobicContact CG-CD2 4.46Å; L144-L168 WeakPolarHBondContact O-CA 3.26Å; F152-L168 HydrophobicContact CE2-CB 4.01Å; F152-L168 HydrophobicContact CZ-CB 4.08Å; F152-L168 HydrophobicContact CZ-CD2 4.47Å; F156-L168 HydrophobicContact CD1-CD1 4.11Å; F156-L168 HydrophobicContact CE1-CD1 3.99Å; F156-L168 HydrophobicContact CE1-CD2 4.23Å; L157-L168 HydrophobicContact CD2-CB 4.2Å; L157-L168 HydrophobicContact CD2-CD1 3.33Å; L157-L168 HydrophobicContact CD2-CG 4.38Å; L157-L168 HydrophobicContact CG-CD1 4.49Å; T160-L168 WeakPolarHBondContact OG1-CD1 3.41Å
169	F	96.8	Very high	95	Very high	63 Å²	63	54.3 Å²	54.3	28%	0.276	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	149.6	-174.6	-60.8	-79.4	0	0	0	111.6	A143 L144 F145 L146 K167 H186	A143-F169 HydrophobicContact CB-CD2 4.43Å; A143-F169 HydrophobicContact CB-CE2 4.12Å; L144-F169 PolarHBondContact O-N 2.93Å; F145-F169 WeakPolarHBondContact CA-O 3.44Å; F145-F169 HydrophobicContact CD1-CB 3.57Å; F145-F169 AromaticContact CD1-CD2 3.86Å; F145-F169 HydrophobicContact CD1-CD2 3.86Å; F145-F169 HydrophobicContact CD1-CG 4.01Å; F145-F169 HydrophobicContact CE1-CB 3.88Å; F145-F169 AromaticContact CE1-CD2 3.4Å; F145-F169 HydrophobicContact CE1-CD2 3.4Å; F145-F169 HydrophobicContact CE1-CE2 4.09Å; F145-F169 AromaticContact CE1-CG 3.78Å; F145-F169 HydrophobicContact CE1-CG 3.78Å; F145-F169 HydrophobicContact CE2-CD2 4.33Å; F145-F169 HydrophobicContact CG-CB 4.36Å; F145-F169 AromaticContact CZ-CD2 3.67Å; F145-F169 HydrophobicContact CZ-CD2 3.67Å; F145-F169 HydrophobicContact CZ-CE2 4.03Å; F145-F169 HydrophobicContact CZ-CG 4.48Å; L146-F169 PolarHBondContact N-O 3.48Å; K167-F169 HydrophobicContact CB-CD2 4.41Å; K167-F169 HydrophobicContact CB-CE2 3.5Å; K167-F169 HydrophobicContact CB-CZ 3.81Å; F169-H186 AromaticContact CE2-CD2 3.94Å; F169-H186 AromaticContact CE2-CE1 3.79Å; F169-H186 AromaticContact CE2-CG 3.97Å; F169-H186 AromaticContact CE2-ND1 3.86Å; F169-H186 AromaticContact CE2-NE2 3.81Å; F169-H186 AromaticContact CZ-CE1 3.74Å; F169-H186 AromaticContact CZ-ND1 3.64Å
170	H	96.9	Very high	95	Very high	97 Å²	97	54.3 Å²	54.3	45%	0.449	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	137.5	165.1	-71.7	-63.6	0	0	0	110.1	L146 H148 L150 F152	L146-H170 CarbonylContact O-C 3.57Å; L146-H170 VanDerWaalsContact O-CA 3.31Å; L146-H170 WeakPolarHBondContact O-CA 3.42Å; H148-H170 HydrophobicContact CB-CB 4.29Å; L150-H170 PolarHBondContact O-CE1 3.19Å; L150-H170 PolarHBondContact O-ND1 3.42Å; F152-H170 AromaticContact CD2-CE1 3.46Å; F152-H170 VanDerWaalsContact CD2-CE1 3.46Å; F152-H170 WeakPolarHBondContact CD2-CE1 3.49Å; F152-H170 AromaticContact CD2-NE2 3.56Å; F152-H170 AromaticContact CE2-CE1 3.65Å; F152-H170 AromaticContact CE2-NE2 3.94Å
171	T	95.5	Very high	95.1	Very high	9 Å²	9	59.8 Å²	59.8	6%	0.055	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.1	-178.6	66.7	0	0	0	0	112.5	F145 L146 S147 H148 F173 T179 L182	F145-T171 HydrophobicContact CB-CG2 4.04Å; F145-T171 HydrophobicContact CD1-CG2 3.61Å; F145-T171 HydrophobicContact CG-CG2 4.3Å; L146-T171 PolarHBondContact O-N 2.74Å; S147-T171 CarbonylContact C-O 3.51Å; S147-T171 WeakPolarHBondContact CA-O 3.37Å; H148-T171 PolarHBondContact N-O 3.34Å; H148-T171 PolarHBondContact ND1-O 3.44Å; T171-F173 WeakPolarHBondContact OG1-CE2 3.3Å; T171-F173 VanDerWaalsContact OG1-CZ 3.31Å; T171-F173 WeakPolarHBondContact OG1-CZ 3.45Å; T171-T179 HydrophobicContact CG2-CG2 4.34Å; T171-L182 HydrophobicContact CG2-CD2 3.49Å; T171-L182 VanDerWaalsContact CG2-CD2 3.49Å
172	N	94.6	Very high	95.3	Very high	67 Å²	67	59.6 Å²	59.6	36%	0.358	31%	0.306	S	S	.	.			trans	-103.9	91.4	173.2	-177.3	18.1	0	0	0	110.7	H148 Y174 D175 T179	H148-N172 PolarHBondContact CE1-OD1 3.09Å; N172-Y174 PolarHBondContact O-N 3.33Å; N172-Y174 WeakPolarHBondContact OD1-CB 3.39Å; N172-Y174 WeakPolarHBondContact OD1-CD2 3.44Å; N172-Y174 PolarHBondContact OD1-N 3.49Å; N172-D175 CarbonylContact O-C 3.52Å; N172-D175 WeakPolarHBondContact O-CA 3.29Å; N172-D175 PolarHBondContact O-N 2.71Å; N172-T179 PolarHBondContact O-OG1 3.09Å
173	F	94.3	Very high	95.5	Very high	5 Å²	5	56.8 Å²	56.8	2%	0.022	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-11.8	-180	-69.8	-69.6	0	0	0	115.1	F145 T171 D175 T176 T179 L202 V206 L207 V209	F145-F173 HydrophobicContact CB-CZ 4.16Å; T171-F173 WeakPolarHBondContact OG1-CE2 3.3Å; T171-F173 VanDerWaalsContact OG1-CZ 3.31Å; T171-F173 WeakPolarHBondContact OG1-CZ 3.45Å; F173-D175 VanDerWaalsContact C-N 3.33Å; F173-T176 WeakPolarHBondContact O-CG2 3.43Å; F173-T179 HydrophobicContact CD1-CG2 3.7Å; F173-T179 HydrophobicContact CE1-CG2 3.6Å; F173-L202 HydrophobicContact CD1-CD1 4.4Å; F173-L202 HydrophobicContact CE1-CD1 4.33Å; F173-V206 WeakPolarHBondContact CB-O 3.44Å; F173-V206 HydrophobicContact CD1-CB 4.26Å; F173-V206 HydrophobicContact CD1-CG1 3.82Å; F173-V206 WeakPolarHBondContact CD2-O 3.28Å; F173-V206 HydrophobicContact CE1-CG1 3.76Å; F173-V206 HydrophobicContact CG-CB 4.47Å; F173-V206 HydrophobicContact CG-CG1 4.26Å; F173-V206 WeakPolarHBondContact CG-O 3.2Å; F173-V206 HydrophobicContact CZ-CG1 4.13Å; F173-L207 VanDerWaalsContact CE2-C 3.49Å; F173-L207 VanDerWaalsContact CE2-O 3.3Å; F173-L207 WeakPolarHBondContact CE2-O 3.29Å; F173-V209 HydrophobicContact CE1-CB 4.4Å; F173-V209 HydrophobicContact CE1-CG2 3.45Å; F173-V209 VanDerWaalsContact CE1-CG2 3.45Å; F173-V209 HydrophobicContact CZ-CB 4.37Å; F173-V209 HydrophobicContact CZ-CG2 3.76Å
174	Y	93.8	Very high	95.6	Very high	155 Å²	155	55 Å²	55	61%	0.608	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-32.1	168.4	-64.5	-67.4	0	0	0	112.3	N172 T176 K204	N172-Y174 PolarHBondContact O-N 3.33Å; N172-Y174 WeakPolarHBondContact OD1-CB 3.39Å; N172-Y174 WeakPolarHBondContact OD1-CD2 3.44Å; N172-Y174 PolarHBondContact OD1-N 3.49Å; Y174-T176 PolarHBondContact O-N 2.68Å; Y174-K204 HydrophobicContact CD1-CB 4.48Å
175	D	95.5	Very high	95.7	Very high	83 Å²	83	58.2 Å²	58.2	44%	0.444	29%	0.293	S	S	.	.	S	Bend	trans	-87.8	80.5	167.2	178.4	14.8	0	0	0	109	N172 F173 V177 G178 T179	N172-D175 CarbonylContact O-C 3.52Å; N172-D175 WeakPolarHBondContact O-CA 3.29Å; N172-D175 PolarHBondContact O-N 2.71Å; F173-D175 VanDerWaalsContact C-N 3.33Å; D175-V177 VanDerWaalsContact C-N 3.32Å; D175-V177 PolarHBondContact O-N 2.94Å; D175-G178 PolarHBondContact OD1-N 3.14Å; D175-T179 VanDerWaalsContact O-CB 3.31Å; D175-T179 WeakPolarHBondContact O-CB 3.22Å; D175-T179 PolarHBondContact O-N 2.83Å; D175-T179 PolarHBondContact O-OG1 2.84Å
176	T	95.2	Very high	95.9	Very high	32 Å²	32	52.9 Å²	52.9	20%	0.196	27%	0.268	C	S	.	.	H	α-helix	trans	-64.1	-37.9	-177.2	51.6	0	0	0	0	111.9	F173 Y174 I180 K204	F173-T176 WeakPolarHBondContact O-CG2 3.43Å; Y174-T176 PolarHBondContact O-N 2.68Å; T176-I180 WeakPolarHBondContact O-CB 3.22Å; T176-I180 WeakPolarHBondContact O-CD1 3.27Å; T176-I180 WeakPolarHBondContact O-CG1 3.48Å; T176-I180 PolarHBondContact O-N 2.92Å; T176-K204 HydrophobicContact CG2-CG 3.81Å
177	V	96	Very high	96	Very high	104 Å²	104	52.8 Å²	52.8	63%	0.63	27%	0.267	S	S	*	.	H	α-helix	trans	-67.1	-50.8	-179.5	179.2	0	0	0	0	110.3	D175 T179 I180 Q181	D175-V177 VanDerWaalsContact C-N 3.32Å; D175-V177 PolarHBondContact O-N 2.94Å; V177-T179 VanDerWaalsContact C-N 3.3Å; V177-T179 PolarHBondContact O-N 3.01Å; V177-I180 PolarHBondContact O-N 3.14Å; V177-Q181 WeakPolarHBondContact O-CB 3.22Å; V177-Q181 PolarHBondContact O-N 3.44Å
178	G	96.5	Very high	96	Very high	26 Å²	26	53.4 Å²	53.4	27%	0.268	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-37.4	177.8	0	0	0	0	0	112.7	D175 Q181 L182	D175-G178 PolarHBondContact OD1-N 3.14Å; G178-Q181 PolarHBondContact O-N 3.2Å; G178-L182 WeakPolarHBondContact O-CB 3.41Å; G178-L182 PolarHBondContact O-N 3.49Å
179	T	96.1	Very high	96	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-69.2	-43.4	177.7	-57.2	0	0	0	0	112.4	T171 N172 F173 D175 V177 Q181 L182 I183 L202	T171-T179 HydrophobicContact CG2-CG2 4.34Å; N172-T179 PolarHBondContact O-OG1 3.09Å; F173-T179 HydrophobicContact CD1-CG2 3.7Å; F173-T179 HydrophobicContact CE1-CG2 3.6Å; D175-T179 VanDerWaalsContact O-CB 3.31Å; D175-T179 WeakPolarHBondContact O-CB 3.22Å; D175-T179 PolarHBondContact O-N 2.83Å; D175-T179 PolarHBondContact O-OG1 2.84Å; V177-T179 VanDerWaalsContact C-N 3.3Å; V177-T179 PolarHBondContact O-N 3.01Å; T179-Q181 VanDerWaalsContact C-N 3.32Å; T179-Q181 PolarHBondContact O-N 3.2Å; T179-L182 PolarHBondContact O-N 2.82Å; T179-I183 HydrophobicContact CG2-CD1 3.93Å; T179-I183 VanDerWaalsContact O-CG1 3.28Å; T179-I183 WeakPolarHBondContact O-CG1 3.47Å; T179-I183 PolarHBondContact O-N 3.4Å; T179-L202 HydrophobicContact CG2-CD1 4.07Å
180	I	96.9	Very high	95.8	Very high	30 Å²	30	57.9 Å²	57.9	15%	0.154	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-45.5	175.2	-72.2	166	0	0	0	110.2	T176 V177 L182 I183 N184 V199 L202	T176-I180 WeakPolarHBondContact O-CB 3.22Å; T176-I180 WeakPolarHBondContact O-CD1 3.27Å; T176-I180 WeakPolarHBondContact O-CG1 3.48Å; T176-I180 PolarHBondContact O-N 2.92Å; V177-I180 PolarHBondContact O-N 3.14Å; I180-L182 PolarHBondContact O-N 2.85Å; I180-I183 PolarHBondContact O-N 2.95Å; I180-N184 WeakPolarHBondContact CG2-ND2 3.34Å; I180-N184 WeakPolarHBondContact O-CB 3.25Å; I180-N184 PolarHBondContact O-N 3.08Å; I180-N184 PolarHBondContact O-ND2 2.85Å; I180-V199 HydrophobicContact CG1-CG1 4.19Å; I180-V199 VanDerWaalsContact CG2-O 3.3Å; I180-V199 WeakPolarHBondContact CG2-O 3.29Å; I180-L202 HydrophobicContact CD1-CB 4.37Å; I180-L202 HydrophobicContact CD1-CG 4.48Å; I180-L202 HydrophobicContact CG1-CB 4.32Å; I180-L202 HydrophobicContact CG1-CD1 3.88Å; I180-L202 HydrophobicContact CG1-CG 4Å
181	Q	96.9	Very high	95.4	Very high	115 Å²	115	53.3 Å²	53.3	54%	0.537	27%	0.267	S	S	.	.	H	α-helix	trans	-60.6	-46.9	177.7	-176.7	171.2	3.3	0	0	111.6	V177 G178 T179 I183 N184 D185	V177-Q181 WeakPolarHBondContact O-CB 3.22Å; V177-Q181 PolarHBondContact O-N 3.44Å; G178-Q181 PolarHBondContact O-N 3.2Å; T179-Q181 VanDerWaalsContact C-N 3.32Å; T179-Q181 PolarHBondContact O-N 3.2Å; Q181-I183 VanDerWaalsContact C-N 3.34Å; Q181-I183 PolarHBondContact O-N 3.12Å; Q181-N184 PolarHBondContact O-N 3.21Å; Q181-D185 WeakPolarHBondContact CG-OD2 3.14Å; Q181-D185 VanDerWaalsContact O-CB 3.26Å; Q181-D185 WeakPolarHBondContact O-CB 3.49Å; Q181-D185 VanDerWaalsContact O-CG 3.28Å; Q181-D185 PolarHBondContact O-N 3.29Å
182	L	97.4	Very high	95.2	Very high	74 Å²	74	59.1 Å²	59.1	39%	0.387	29%	0.288	S	S	.	.	H	α-helix	trans	-57.8	-45.2	177.3	179.5	69.9	0	0	0	112.3	F145 T171 G178 T179 I180 H186	F145-L182 HydrophobicContact CD1-CD2 4.31Å; F145-L182 HydrophobicContact CE1-CD2 4.19Å; F145-L182 HydrophobicContact CE1-CG 4.19Å; T171-L182 HydrophobicContact CG2-CD2 3.49Å; T171-L182 VanDerWaalsContact CG2-CD2 3.49Å; G178-L182 WeakPolarHBondContact O-CB 3.41Å; G178-L182 PolarHBondContact O-N 3.49Å; T179-L182 PolarHBondContact O-N 2.82Å; I180-L182 PolarHBondContact O-N 2.85Å; L182-H186 WeakPolarHBondContact O-CB 3.4Å; L182-H186 PolarHBondContact O-N 2.95Å
183	I	96.6	Very high	95	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.5	-49.7	179.1	-67	165.5	0	0	0	110.1	F145 T179 I180 Q181 H186 V187 V199 L202 V209 V211	F145-I183 HydrophobicContact CD1-CG1 3.9Å; F145-I183 HydrophobicContact CD2-CD1 4.37Å; F145-I183 HydrophobicContact CD2-CG1 3.84Å; F145-I183 HydrophobicContact CE1-CG1 3.84Å; F145-I183 HydrophobicContact CE2-CB 4.35Å; F145-I183 HydrophobicContact CE2-CG1 3.78Å; F145-I183 HydrophobicContact CE2-CG2 4.18Å; F145-I183 HydrophobicContact CG-CD1 4.39Å; F145-I183 HydrophobicContact CG-CG1 3.9Å; F145-I183 HydrophobicContact CZ-CB 4.23Å; F145-I183 HydrophobicContact CZ-CG1 3.78Å; F145-I183 HydrophobicContact CZ-CG2 4.43Å; T179-I183 HydrophobicContact CG2-CD1 3.93Å; T179-I183 VanDerWaalsContact O-CG1 3.28Å; T179-I183 WeakPolarHBondContact O-CG1 3.47Å; T179-I183 PolarHBondContact O-N 3.4Å; I180-I183 PolarHBondContact O-N 2.95Å; Q181-I183 VanDerWaalsContact C-N 3.34Å; Q181-I183 PolarHBondContact O-N 3.12Å; I183-H186 PolarHBondContact O-N 3.15Å; I183-V187 WeakPolarHBondContact O-CG2 3.49Å; I183-V187 PolarHBondContact O-N 3.05Å; I183-V199 HydrophobicContact CG2-CG2 3.72Å; I183-L202 HydrophobicContact CD1-CD1 3.94Å; I183-V209 HydrophobicContact CD1-CB 4.36Å; I183-V209 HydrophobicContact CD1-CG1 4.16Å; I183-V209 HydrophobicContact CD1-CG2 4.44Å; I183-V211 HydrophobicContact CG2-CG1 3.68Å
184	N	96.9	Very high	94.8	Very high	15 Å²	15	60.7 Å²	60.7	8%	0.08	30%	0.302	C	S	.	.	H	α-helix	trans	-65.9	-40.4	-178.1	-72.7	-21.6	0	0	0	111.9	I180 Q181 H186 V187 K188 L198 V199	I180-N184 WeakPolarHBondContact CG2-ND2 3.34Å; I180-N184 WeakPolarHBondContact O-CB 3.25Å; I180-N184 PolarHBondContact O-N 3.08Å; I180-N184 PolarHBondContact O-ND2 2.85Å; Q181-N184 PolarHBondContact O-N 3.21Å; N184-H186 VanDerWaalsContact C-N 3.35Å; N184-H186 PolarHBondContact O-N 3.08Å; N184-V187 PolarHBondContact O-N 3.21Å; N184-K188 WeakPolarHBondContact O-CB 3.34Å; N184-K188 PolarHBondContact O-N 3.15Å; N184-L198 PolarHBondContact OD1-N 2.86Å; N184-V199 PolarHBondContact ND2-O 3.2Å; N184-V199 PolarHBondContact OD1-N 3.33Å
185	D	97.3	Very high	94.5	Very high	82 Å²	82	53.4 Å²	53.4	44%	0.439	27%	0.274	S	S	.	.	H	α-helix	trans	-65.1	-38.6	176.6	-76.2	-21.5	0	0	0	111.7	Q181 K189	Q181-D185 WeakPolarHBondContact CG-OD2 3.14Å; Q181-D185 VanDerWaalsContact O-CB 3.26Å; Q181-D185 WeakPolarHBondContact O-CB 3.49Å; Q181-D185 VanDerWaalsContact O-CG 3.28Å; Q181-D185 PolarHBondContact O-N 3.29Å; D185-K189 VanDerWaalsContact O-CB 3.3Å; D185-K189 WeakPolarHBondContact O-CB 3.27Å; D185-K189 PolarHBondContact O-N 2.75Å
186	H	96.3	Very high	94.3	Very high	19 Å²	19	52.1 Å²	52.1	9%	0.088	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-51.7	174.5	177.5	60.9	0	0	0	111.7	A143 F145 F169 L182 I183 N184 K188 K189 E190	A143-H186 WeakPolarHBondContact CB-NE2 3.37Å; F145-H186 HydrophobicContact CZ-CB 4.25Å; F169-H186 AromaticContact CE2-CD2 3.94Å; F169-H186 AromaticContact CE2-CE1 3.79Å; F169-H186 AromaticContact CE2-CG 3.97Å; F169-H186 AromaticContact CE2-ND1 3.86Å; F169-H186 AromaticContact CE2-NE2 3.81Å; F169-H186 AromaticContact CZ-CE1 3.74Å; F169-H186 AromaticContact CZ-ND1 3.64Å; L182-H186 WeakPolarHBondContact O-CB 3.4Å; L182-H186 PolarHBondContact O-N 2.95Å; I183-H186 PolarHBondContact O-N 3.15Å; N184-H186 VanDerWaalsContact C-N 3.35Å; N184-H186 PolarHBondContact O-N 3.08Å; H186-K188 PolarHBondContact O-N 3.37Å; H186-K189 WeakPolarHBondContact O-CB 3.49Å; H186-K189 PolarHBondContact O-N 2.85Å; H186-E190 WeakPolarHBondContact O-CG 3.49Å; H186-E190 PolarHBondContact O-N 2.7Å
187	V	95.1	Very high	94.1	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-41.6	-179.3	175.2	0	0	0	0	111	I183 N184 K189 E190 T191 I195 L198 V211 Y213	I183-V187 WeakPolarHBondContact O-CG2 3.49Å; I183-V187 PolarHBondContact O-N 3.05Å; N184-V187 PolarHBondContact O-N 3.21Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 3.39Å; V187-E190 PolarHBondContact O-N 3.31Å; V187-T191 HydrophobicContact CG1-CG2 4.25Å; V187-T191 WeakPolarHBondContact O-CB 3.36Å; V187-T191 VanDerWaalsContact O-CG2 3.27Å; V187-T191 WeakPolarHBondContact O-CG2 3.47Å; V187-T191 PolarHBondContact O-N 3.33Å; V187-T191 PolarHBondContact O-OG1 3.43Å; V187-I195 HydrophobicContact CG1-CB 3.97Å; V187-I195 HydrophobicContact CG1-CG2 3.61Å; V187-L198 HydrophobicContact CG1-CD2 4.34Å; V187-L198 HydrophobicContact CG2-CD2 3.8Å; V187-V211 HydrophobicContact CG2-CB 4.48Å; V187-V211 HydrophobicContact CG2-CG2 3.96Å; V187-Y213 HydrophobicContact CB-CD1 4.43Å; V187-Y213 HydrophobicContact CG1-CD1 4.1Å; V187-Y213 HydrophobicContact CG1-CG 4.23Å; V187-Y213 HydrophobicContact CG2-CD1 3.88Å; V187-Y213 HydrophobicContact CG2-CE1 4.21Å
188	K	95.7	Very high	93.9	Very high	103 Å²	103	51.5 Å²	51.5	45%	0.448	26%	0.26	S	S	.	.	H	α-helix	trans	-58.9	-44.1	175.2	-175.8	-178.2	179.6	178.1	0	111.5	N184 H186 T191 R192 G193 I195 V196	N184-K188 WeakPolarHBondContact O-CB 3.34Å; N184-K188 PolarHBondContact O-N 3.15Å; H186-K188 PolarHBondContact O-N 3.37Å; K188-T191 PolarHBondContact O-OG1 3.24Å; K188-R192 PolarHBondContact O-N 3.13Å; K188-R192 VanDerWaalsContact O-N 3.11Å; K188-G193 PolarHBondContact O-N 3.26Å; K188-I195 WeakPolarHBondContact CA-O 3.36Å; K188-V196 HydrophobicContact CD-CG1 4.16Å; K188-V196 HydrophobicContact CG-CG1 4.15Å
189	K	95.4	Very high	93.7	Very high	163 Å²	163	50.3 Å²	50.3	71%	0.709	25%	0.248	S	C	*	.	H	α-helix	trans	-62.5	-50.1	177.2	179.8	-174.4	174.9	-175.1	0	111.5	D185 H186 V187 T191 R192	D185-K189 VanDerWaalsContact O-CB 3.3Å; D185-K189 WeakPolarHBondContact O-CB 3.27Å; D185-K189 PolarHBondContact O-N 2.75Å; H186-K189 WeakPolarHBondContact O-CB 3.49Å; H186-K189 PolarHBondContact O-N 2.85Å; V187-K189 VanDerWaalsContact C-N 3.33Å; V187-K189 PolarHBondContact O-N 3.39Å; K189-T191 PolarHBondContact O-N 3.49Å; K189-R192 PolarHBondContact O-N 3.42Å
190	E	91.9	Very high	93.4	Very high	30 Å²	30	55.3 Å²	55.3	14%	0.14	28%	0.283	C	S	.	.	H	α-helix	trans	-68.6	-25.8	-175.9	-68.8	-66.9	155.5	0	0	112.9	R139 H186 V187 Y213	R139-E190 IonicContact CZ-OE2 2.57Å; R139-E190 PolarHBondContact NH1-O 3.34Å; R139-E190 IonicContact NH1-OE2 3.72Å; R139-E190 IonicContact NH2-OE2 3.67Å; R139-E190 PolarHBondContact NH2-OE2 3.27Å; R139-E190 VanDerWaalsContact NH2-OE2 3.09Å; H186-E190 WeakPolarHBondContact O-CG 3.49Å; H186-E190 PolarHBondContact O-N 2.7Å; V187-E190 PolarHBondContact O-N 3.31Å; E190-Y213 HydrophobicContact CB-CD2 4.3Å; E190-Y213 HydrophobicContact CB-CE1 4.48Å; E190-Y213 HydrophobicContact CB-CE2 3.41Å; E190-Y213 VanDerWaalsContact CB-CE2 3.41Å; E190-Y213 WeakPolarHBondContact CB-OH 3.41Å; E190-Y213 HydrophobicContact CG-CE2 4.23Å; E190-Y213 VanDerWaalsContact CG-OH 3.3Å; E190-Y213 WeakPolarHBondContact CG-OH 3.48Å
191	T	90.4	Very high	93.2	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.006	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	11.3	178.1	65.1	0	0	0	0	113.6	V187 K188 K189 G193 K194 I195 Y213 Y215	V187-T191 HydrophobicContact CG1-CG2 4.25Å; V187-T191 WeakPolarHBondContact O-CB 3.36Å; V187-T191 VanDerWaalsContact O-CG2 3.27Å; V187-T191 WeakPolarHBondContact O-CG2 3.47Å; V187-T191 PolarHBondContact O-N 3.33Å; V187-T191 PolarHBondContact O-OG1 3.43Å; K188-T191 PolarHBondContact O-OG1 3.24Å; K189-T191 PolarHBondContact O-N 3.49Å; T191-G193 PolarHBondContact O-N 3.23Å; T191-K194 WeakPolarHBondContact O-CB 3.42Å; T191-K194 WeakPolarHBondContact O-CG 3.42Å; T191-K194 PolarHBondContact O-N 3.47Å; T191-I195 HydrophobicContact CG2-CB 4.03Å; T191-I195 HydrophobicContact CG2-CD1 3.86Å; T191-I195 HydrophobicContact CG2-CG1 4.08Å; T191-I195 PolarHBondContact OG1-N 3.43Å; T191-I195 VanDerWaalsContact OG1-N 3.13Å; T191-Y213 HydrophobicContact CG2-CD2 3.66Å; T191-Y213 HydrophobicContact CG2-CE2 4.47Å; T191-Y213 HydrophobicContact CG2-CG 4Å; T191-Y215 WeakPolarHBondContact O-CD2 3.04Å
192	R	90.8	Very high	92.9	Very high	131 Å²	131	56.7 Å²	56.7	49%	0.494	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	38	179.6	-56.6	-178.1	-178.3	160.5	1.8	113.5	E137 K188 K189 Y215	E137-R192 IonicContact OE1-NH1 3.15Å; E137-R192 IonicContact OE2-CZ 3.73Å; E137-R192 IonicContact OE2-NH1 3.51Å; E137-R192 PolarHBondContact OE2-NH1 3.11Å; E137-R192 IonicContact OE2-NH2 3.09Å; E137-R192 PolarHBondContact OE2-NH2 3.37Å; K188-R192 PolarHBondContact O-N 3.13Å; K188-R192 VanDerWaalsContact O-N 3.11Å; K189-R192 PolarHBondContact O-N 3.42Å; R192-Y215 HydrophobicContact CB-CE2 4.28Å; R192-Y215 HydrophobicContact CG-CE2 4.49Å; R192-Y215 PolarHBondContact NH1-OH 3.33Å; R192-Y215 VanDerWaalsContact NH1-OH 3.1Å
193	G	90.9	Very high	92.6	Very high	36 Å²	36	59.9 Å²	59.9	37%	0.371	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	-2	178	0	0	0	0	0	115.4	K188 T191	K188-G193 PolarHBondContact O-N 3.26Å; T191-G193 PolarHBondContact O-N 3.23Å
194	K	88.3	Confident	92.2	Very high	70 Å²	70	66.4 Å²	66.4	30%	0.304	33%	0.328	S	S	.	.	S	Bend	trans	-71.6	-40	-178.9	-69.5	-66.3	-170.9	172	0	113	T191 Y215 D370	T191-K194 WeakPolarHBondContact O-CB 3.42Å; T191-K194 WeakPolarHBondContact O-CG 3.42Å; T191-K194 PolarHBondContact O-N 3.47Å; K194-Y215 HydrophobicContact CG-CD2 4.29Å; K194-Y215 HydrophobicContact CG-CE2 4.1Å; K194-D370 IonicContact NZ-OD2 2.76Å; K194-D370 PolarHBondContact NZ-OD2 3.18Å
195	I	89.3	Confident	91.8	Very high	2 Å²	2	71.3 Å²	71.3	1%	0.01	36%	0.355	C	S	.	.	S	Bend	trans	-104.6	109.2	176.9	-60.5	178.1	0	0	0	108	V187 K188 T191 K366 T368	V187-I195 HydrophobicContact CG1-CB 3.97Å; V187-I195 HydrophobicContact CG1-CG2 3.61Å; K188-I195 WeakPolarHBondContact CA-O 3.36Å; T191-I195 HydrophobicContact CG2-CB 4.03Å; T191-I195 HydrophobicContact CG2-CD1 3.86Å; T191-I195 HydrophobicContact CG2-CG1 4.08Å; T191-I195 PolarHBondContact OG1-N 3.43Å; T191-I195 VanDerWaalsContact OG1-N 3.13Å; I195-K366 VanDerWaalsContact CD1-O 3.23Å; I195-K366 WeakPolarHBondContact CD1-O 3.35Å; I195-K366 HydrophobicContact CG2-CB 4Å; I195-K366 HydrophobicContact CG2-CD 3.93Å; I195-K366 HydrophobicContact CG2-CG 4.06Å; I195-T368 HydrophobicContact CG1-CG2 4.17Å
196	V	90.6	Very high	91.5	Very high	55 Å²	55	67.6 Å²	67.6	33%	0.333	34%	0.335	S	S	.	.			trans	-113	154.2	172.8	-61.8	0	0	0	0	109.8	K188 L198 K366	K188-V196 HydrophobicContact CD-CG1 4.16Å; K188-V196 HydrophobicContact CG-CG1 4.15Å; V196-L198 PolarHBondContact O-N 2.75Å; V196-K366 PolarHBondContact O-NZ 2.82Å
197	D	89.9	Confident	91.3	Very high	117 Å²	117	68 Å²	68	63%	0.626	34%	0.337	S	S	*	.			trans	48.5	59.7	173.4	-51.2	-41.8	0	0	0	112.4	K366	D197-K366 PolarHBondContact O-NZ 3.38Å
198	L	91.9	Very high	91.3	Very high	7 Å²	7	68 Å²	68	4%	0.037	34%	0.337	C	S	.	.			trans	-70	-45.3	177.6	172.8	65.4	0	0	0	110.8	N184 V187 V196 V211 F364 K366	N184-L198 PolarHBondContact OD1-N 2.86Å; V187-L198 HydrophobicContact CG1-CD2 4.34Å; V187-L198 HydrophobicContact CG2-CD2 3.8Å; V196-L198 PolarHBondContact O-N 2.75Å; L198-V211 HydrophobicContact CD2-CB 3.66Å; L198-V211 HydrophobicContact CD2-CG1 3.68Å; L198-F364 HydrophobicContact CD1-CB 4Å; L198-F364 HydrophobicContact CD2-CB 4.16Å; L198-F364 HydrophobicContact CG-CB 3.97Å; L198-K366 HydrophobicContact CD1-CB 3.35Å; L198-K366 HydrophobicContact CD1-CD 4.35Å
199	V	93.1	Very high	91.3	Very high	1 Å²	1	63 Å²	63	1%	0.006	32%	0.316	C	S	.	.			trans	-108.6	122.6	-179.3	-174.9	0	0	0	0	108.5	I180 I183 N184 L202 F364	I180-V199 HydrophobicContact CG1-CG1 4.19Å; I180-V199 VanDerWaalsContact CG2-O 3.3Å; I180-V199 WeakPolarHBondContact CG2-O 3.29Å; I183-V199 HydrophobicContact CG2-CG2 3.72Å; N184-V199 PolarHBondContact ND2-O 3.2Å; N184-V199 PolarHBondContact OD1-N 3.33Å; V199-L202 HydrophobicContact CG1-CD1 4.24Å; V199-L202 HydrophobicContact CG1-CD2 4Å; V199-L202 HydrophobicContact CG1-CG 3.76Å; V199-F364 HydrophobicContact CB-CE2 4.48Å; V199-F364 HydrophobicContact CG1-CE2 3.93Å; V199-F364 HydrophobicContact CG1-CZ 3.92Å; V199-F364 HydrophobicContact CG2-CB 4.47Å; V199-F364 HydrophobicContact CG2-CD1 4.49Å; V199-F364 HydrophobicContact CG2-CD2 3.55Å; V199-F364 HydrophobicContact CG2-CE2 3.76Å; V199-F364 HydrophobicContact CG2-CG 3.94Å; V199-F364 HydrophobicContact CG2-CZ 4.33Å
200	S	90.7	Very high	91.4	Very high	109 Å²	109	55.5 Å²	55.5	76%	0.762	28%	0.283	S	S	*	.			trans	-95.4	-35.8	176.9	51.1	0	0	0	0	112.5
201	E	91.3	Very high	91.6	Very high	153 Å²	153	54.1 Å²	54.1	72%	0.715	28%	0.277	S	S	*	.			trans	-144.7	144.9	-174.5	59.3	176.3	-161.6	0	0	112.2
202	L	92.1	Very high	91.7	Very high	21 Å²	21	54 Å²	54	11%	0.11	28%	0.276	C	S	.	.			trans	-139.4	141	172.3	-73.2	178.1	0	0	0	109.6	F173 T179 I180 I183 V199 V209 K362 F364	F173-L202 HydrophobicContact CD1-CD1 4.4Å; F173-L202 HydrophobicContact CE1-CD1 4.33Å; T179-L202 HydrophobicContact CG2-CD1 4.07Å; I180-L202 HydrophobicContact CD1-CB 4.37Å; I180-L202 HydrophobicContact CD1-CG 4.48Å; I180-L202 HydrophobicContact CG1-CB 4.32Å; I180-L202 HydrophobicContact CG1-CD1 3.88Å; I180-L202 HydrophobicContact CG1-CG 4Å; I183-L202 HydrophobicContact CD1-CD1 3.94Å; V199-L202 HydrophobicContact CG1-CD1 4.24Å; V199-L202 HydrophobicContact CG1-CD2 4Å; V199-L202 HydrophobicContact CG1-CG 3.76Å; L202-V209 HydrophobicContact CD1-CG2 4.32Å; L202-V209 HydrophobicContact CD2-CG2 3.98Å; L202-K362 HydrophobicContact CD2-CB 4.45Å; L202-K362 HydrophobicContact CD2-CG 4.1Å; L202-F364 HydrophobicContact CD2-CE2 4.03Å; L202-F364 HydrophobicContact CD2-CZ 4.16Å
203	K	89.9	Confident	91.8	Very high	142 Å²	142	48.2 Å²	48.2	62%	0.617	26%	0.255	S	S	*	.			trans	-85.6	153.1	170.7	-61.2	-177.7	179.7	-179.2	0	110.1	D205 V206	K203-D205 VanDerWaalsContact C-N 3.26Å; K203-D205 WeakPolarHBondContact CB-OD1 3.3Å; K203-D205 PolarHBondContact O-N 3.25Å; K203-V206 HydrophobicContact CB-CG2 4.3Å; K203-V206 WeakPolarHBondContact O-CB 3.3Å; K203-V206 VanDerWaalsContact O-CG2 3.32Å; K203-V206 WeakPolarHBondContact O-CG2 3.43Å; K203-V206 PolarHBondContact O-N 2.91Å
204	K	88.8	Confident	91.7	Very high	136 Å²	136	46.7 Å²	46.7	59%	0.591	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.8	-177.1	-65.6	-178.7	179.1	-177.8	0	114.1	Y174 T176	Y174-K204 HydrophobicContact CD1-CB 4.48Å; T176-K204 HydrophobicContact CG2-CG 3.81Å
205	D	87.8	Confident	91.8	Very high	119 Å²	119	43.6 Å²	43.6	64%	0.636	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-8.2	178.3	58.8	-15.4	0	0	0	113.2	K203 L207	K203-D205 VanDerWaalsContact C-N 3.26Å; K203-D205 WeakPolarHBondContact CB-OD1 3.3Å; K203-D205 PolarHBondContact O-N 3.25Å; D205-L207 PolarHBondContact O-N 3.4Å
206	V	91.4	Very high	91.8	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.024	23%	0.228	C	C	.	.			trans	-59.9	130.9	173.8	169.9	0	0	0	0	110	F173 K203 V209 K362	F173-V206 WeakPolarHBondContact CB-O 3.44Å; F173-V206 HydrophobicContact CD1-CB 4.26Å; F173-V206 HydrophobicContact CD1-CG1 3.82Å; F173-V206 WeakPolarHBondContact CD2-O 3.28Å; F173-V206 HydrophobicContact CE1-CG1 3.76Å; F173-V206 HydrophobicContact CG-CB 4.47Å; F173-V206 HydrophobicContact CG-CG1 4.26Å; F173-V206 WeakPolarHBondContact CG-O 3.2Å; F173-V206 HydrophobicContact CZ-CG1 4.13Å; K203-V206 HydrophobicContact CB-CG2 4.3Å; K203-V206 WeakPolarHBondContact O-CB 3.3Å; K203-V206 VanDerWaalsContact O-CG2 3.32Å; K203-V206 WeakPolarHBondContact O-CG2 3.43Å; K203-V206 PolarHBondContact O-N 2.91Å; V206-V209 HydrophobicContact CG1-CG2 3.56Å; V206-K362 HydrophobicContact CG2-CG 3.94Å
207	L	92.1	Very high	91.7	Very high	26 Å²	26	44.1 Å²	44.1	14%	0.136	22%	0.222	C	C	.	.			trans	-112.1	-20.5	177.5	-62.8	175.7	0	0	0	112.9	S147 F173 D205 L358 S361	S147-L207 PolarHBondContact N-O 2.88Å; F173-L207 VanDerWaalsContact CE2-C 3.49Å; F173-L207 VanDerWaalsContact CE2-O 3.3Å; F173-L207 WeakPolarHBondContact CE2-O 3.29Å; D205-L207 PolarHBondContact O-N 3.4Å; L207-L358 HydrophobicContact CB-CD2 4.08Å; L207-L358 HydrophobicContact CD1-CD2 4.44Å; L207-S361 PolarHBondContact N-OG 3.42Å
208	M	94.8	Very high	91.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	132.8	-178.3	-168.6	173.5	69.7	0	0	111.2	L90 L144 F145 L146 L349 I352 L358 A360 S361 K362	L90-M208 HydrophobicContact CD1-CE 4.25Å; L144-M208 HydrophobicContact CD1-CG 4.33Å; L144-M208 HydrophobicContact CD1-SD 3.79Å; L144-M208 HydrophobicContact CD2-CG 3.86Å; L144-M208 HydrophobicContact CD2-SD 3.9Å; L144-M208 HydrophobicContact CG-CG 3.98Å; L144-M208 HydrophobicContact CG-SD 4.06Å; F145-M208 CarbonylContact O-C 3.58Å; F145-M208 VanDerWaalsContact O-CA 3.29Å; F145-M208 WeakPolarHBondContact O-CA 3.25Å; L146-M208 HydrophobicContact CD1-CB 4.31Å; L146-M208 HydrophobicContact CD1-CG 4.36Å; M208-L349 HydrophobicContact CE-CD1 3.64Å; M208-I352 HydrophobicContact CE-CD1 4.27Å; M208-I352 HydrophobicContact SD-CD1 3.79Å; M208-L358 HydrophobicContact SD-CD1 4.42Å; M208-A360 VanDerWaalsContact CE-CA 3.47Å; M208-A360 HydrophobicContact CE-CB 3.69Å; M208-S361 WeakPolarHBondContact O-CB 3.11Å; M208-S361 PolarHBondContact O-N 2.79Å; M208-K362 PolarHBondContact O-N 2.93Å
209	V	96.3	Very high	91.7	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.7	172.2	-178.4	0	0	0	0	109.1	L144 F145 F173 I183 L202 V206 V211 K362 F364	L144-V209 WeakPolarHBondContact CA-O 3.41Å; F145-V209 HydrophobicContact CB-CB 4.37Å; F145-V209 PolarHBondContact N-O 3.24Å; F145-V209 PolarHBondContact O-N 3.25Å; F173-V209 HydrophobicContact CE1-CB 4.4Å; F173-V209 HydrophobicContact CE1-CG2 3.45Å; F173-V209 VanDerWaalsContact CE1-CG2 3.45Å; F173-V209 HydrophobicContact CZ-CB 4.37Å; F173-V209 HydrophobicContact CZ-CG2 3.76Å; I183-V209 HydrophobicContact CD1-CB 4.36Å; I183-V209 HydrophobicContact CD1-CG1 4.16Å; I183-V209 HydrophobicContact CD1-CG2 4.44Å; L202-V209 HydrophobicContact CD1-CG2 4.32Å; L202-V209 HydrophobicContact CD2-CG2 3.98Å; V206-V209 HydrophobicContact CG1-CG2 3.56Å; V209-V211 HydrophobicContact CG1-CG1 3.99Å; V209-K362 WeakPolarHBondContact CA-O 3.19Å; V209-K362 HydrophobicContact CG1-CB 4.45Å; V209-K362 HydrophobicContact CG2-CB 4.21Å; V209-F364 HydrophobicContact CG1-CD2 3.8Å; V209-F364 HydrophobicContact CG1-CE2 3.84Å
210	L	96.7	Very high	91.7	Very high	5 Å²	5	40.6 Å²	40.6	3%	0.026	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	133.5	167.3	178.9	64.5	0	0	0	108.9	A86 Y87 M89 L90 L144 K362 S363 F364	A86-L210 HydrophobicContact CB-CD2 4.23Å; Y87-L210 HydrophobicContact CD2-CD2 4.25Å; Y87-L210 HydrophobicContact CE2-CD2 3.88Å; M89-L210 HydrophobicContact CE-CD1 3.81Å; L90-L210 HydrophobicContact CD2-CD2 4.18Å; L144-L210 HydrophobicContact CB-CD1 4.35Å; L210-K362 PolarHBondContact N-O 3.35Å; L210-S363 CarbonylContact O-C 3.52Å; L210-S363 VanDerWaalsContact O-CA 3.26Å; L210-S363 WeakPolarHBondContact O-CA 3.47Å; L210-F364 PolarHBondContact O-N 2.93Å
211	V	96.1	Very high	91.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.7	168.4	-57.6	0	0	0	0	109.8	S142 A143 F145 I183 V187 L198 V209 F364	S142-V211 WeakPolarHBondContact CA-O 3.31Å; A143-V211 HydrophobicContact CB-CG2 3.81Å; A143-V211 PolarHBondContact N-O 3.35Å; A143-V211 PolarHBondContact O-N 3.31Å; F145-V211 HydrophobicContact CE2-CG2 3.76Å; I183-V211 HydrophobicContact CG2-CG1 3.68Å; V187-V211 HydrophobicContact CG2-CB 4.48Å; V187-V211 HydrophobicContact CG2-CG2 3.96Å; L198-V211 HydrophobicContact CD2-CB 3.66Å; L198-V211 HydrophobicContact CD2-CG1 3.68Å; V209-V211 HydrophobicContact CG1-CG1 3.99Å; V211-F364 WeakPolarHBondContact CA-O 3.35Å; V211-F364 HydrophobicContact CG1-CB 4.38Å; V211-F364 HydrophobicContact CG1-CD2 4.37Å
212	N	93.4	Very high	92	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.1	173.3	75.9	-79.7	0	0	0	110.1	S82 I83 A86 F364 H365	S82-N212 PolarHBondContact OG-ND2 3.06Å; I83-N212 PolarHBondContact N-ND2 3.23Å; A86-N212 HydrophobicContact CB-CB 3.62Å; N212-F364 PolarHBondContact N-O 2.99Å; N212-F364 PolarHBondContact OD1-O 3.04Å; N212-H365 PolarHBondContact ND2-ND1 3Å; N212-H365 WeakPolarHBondContact OD1-CB 3.46Å
213	Y	91.5	Very high	92	Very high	9 Å²	9	36 Å²	36	4%	0.035	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	165.4	-176.7	52.8	-93.8	0	0	0	109.9	S82 G141 V187 E190 T191	S82-Y213 PolarHBondContact OG-N 2.96Å; S82-Y213 PolarHBondContact OG-O 2.69Å; G141-Y213 PolarHBondContact N-O 3.12Å; G141-Y213 PolarHBondContact O-N 2.79Å; G141-Y213 VanDerWaalsContact O-N 3.09Å; V187-Y213 HydrophobicContact CB-CD1 4.43Å; V187-Y213 HydrophobicContact CG1-CD1 4.1Å; V187-Y213 HydrophobicContact CG1-CG 4.23Å; V187-Y213 HydrophobicContact CG2-CD1 3.88Å; V187-Y213 HydrophobicContact CG2-CE1 4.21Å; E190-Y213 HydrophobicContact CB-CD2 4.3Å; E190-Y213 HydrophobicContact CB-CE1 4.48Å; E190-Y213 HydrophobicContact CB-CE2 3.41Å; E190-Y213 VanDerWaalsContact CB-CE2 3.41Å; E190-Y213 WeakPolarHBondContact CB-OH 3.41Å; E190-Y213 HydrophobicContact CG-CE2 4.23Å; E190-Y213 VanDerWaalsContact CG-OH 3.3Å; E190-Y213 WeakPolarHBondContact CG-OH 3.48Å; T191-Y213 HydrophobicContact CG2-CD2 3.66Å; T191-Y213 HydrophobicContact CG2-CE2 4.47Å; T191-Y213 HydrophobicContact CG2-CG 4Å
214	I	90.3	Very high	92.2	Very high	4 Å²	4	29.8 Å²	29.8	2%	0.021	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	129	173.1	-178.3	170.3	0	0	0	108.4	S79 T138 R139 V140 F418	S79-I214 VanDerWaalsContact CB-CG2 3.48Å; T138-I214 HydrophobicContact CG2-CD1 4.07Å; T138-I214 HydrophobicContact CG2-CG1 4.41Å; R139-I214 CarbonylContact O-C 3.56Å; R139-I214 WeakPolarHBondContact O-CA 3.21Å; V140-I214 HydrophobicContact CG2-CB 4.4Å; V140-I214 HydrophobicContact CG2-CD1 3.71Å; V140-I214 HydrophobicContact CG2-CG1 3.91Å; I214-F418 HydrophobicContact CB-CE1 4.5Å; I214-F418 HydrophobicContact CB-CZ 4.17Å; I214-F418 HydrophobicContact CD1-CE1 4.35Å; I214-F418 HydrophobicContact CD1-CE2 3.7Å; I214-F418 HydrophobicContact CD1-CZ 3.6Å; I214-F418 HydrophobicContact CG1-CE2 4.29Å; I214-F418 HydrophobicContact CG1-CZ 3.77Å; I214-F418 HydrophobicContact CG2-CD1 4.34Å; I214-F418 HydrophobicContact CG2-CE1 3.28Å; I214-F418 HydrophobicContact CG2-CE2 4.47Å; I214-F418 HydrophobicContact CG2-CZ 3.37Å
215	Y	89.2	Confident	92.4	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.02	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	128.1	166.2	175.1	-105.8	0	0	0	108	E137 T138 R139 T191 R192 K194 K217 E377	E137-Y215 HydrophobicContact CB-CE1 4.16Å; T138-Y215 WeakPolarHBondContact CA-O 3.31Å; R139-Y215 PolarHBondContact N-O 3.23Å; R139-Y215 PolarHBondContact O-N 2.92Å; T191-Y215 WeakPolarHBondContact O-CD2 3.04Å; R192-Y215 HydrophobicContact CB-CE2 4.28Å; R192-Y215 HydrophobicContact CG-CE2 4.49Å; R192-Y215 PolarHBondContact NH1-OH 3.33Å; R192-Y215 VanDerWaalsContact NH1-OH 3.1Å; K194-Y215 HydrophobicContact CG-CD2 4.29Å; K194-Y215 HydrophobicContact CG-CE2 4.1Å; Y215-K217 HydrophobicContact CE1-CB 4.07Å; Y215-E377 PolarHBondContact OH-OE1 3.42Å
216	F	88.9	Confident	92.6	Very high	20 Å²	20	25 Å²	25	9%	0.088	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	123.9	179.1	-177.8	-100.9	0	0	0	109.6	L136 E137 T138 A218 Y271 A275 T376 I408 L417 F418	L136-F216 HydrophobicContact CD1-CD2 4.31Å; L136-F216 HydrophobicContact CD1-CE2 3.56Å; L136-F216 HydrophobicContact CD1-CZ 3.99Å; E137-F216 WeakPolarHBondContact O-CA 3.47Å; T138-F216 HydrophobicContact CG2-CD2 4.32Å; T138-F216 WeakPolarHBondContact OG1-CD2 3.33Å; F216-A218 HydrophobicContact CE1-CB 3.68Å; F216-A218 HydrophobicContact CE2-CB 4.32Å; F216-A218 HydrophobicContact CZ-CB 3.54Å; F216-Y271 HydrophobicContact CE1-CD2 4.5Å; F216-Y271 AromaticContact CE1-CE2 3.82Å; F216-Y271 HydrophobicContact CE1-CE2 3.82Å; F216-Y271 AromaticContact CZ-CD2 3.95Å; F216-Y271 HydrophobicContact CZ-CD2 3.95Å; F216-Y271 AromaticContact CZ-CE2 3.64Å; F216-Y271 HydrophobicContact CZ-CE2 3.64Å; F216-A275 HydrophobicContact CE2-CB 4.44Å; F216-A275 HydrophobicContact CZ-CB 4.39Å; F216-T376 HydrophobicContact CD1-CG2 4.4Å; F216-T376 WeakPolarHBondContact CD1-OG1 3.31Å; F216-T376 HydrophobicContact CE1-CG2 4.03Å; F216-T376 WeakPolarHBondContact CE1-OG1 3.41Å; F216-I408 HydrophobicContact CD1-CD1 4.46Å; F216-I408 HydrophobicContact CE1-CD1 4.1Å; F216-I408 HydrophobicContact CE1-CG2 4.35Å; F216-I408 HydrophobicContact CE2-CG2 4.25Å; F216-I408 HydrophobicContact CZ-CG2 3.86Å; F216-L417 HydrophobicContact CD2-CD1 4.43Å; F216-L417 HydrophobicContact CE2-CD1 3.97Å; F216-F418 HydrophobicContact CB-CE2 3.48Å; F216-F418 VanDerWaalsContact CB-CE2 3.48Å; F216-F418 HydrophobicContact CB-CZ 3.58Å; F216-F418 HydrophobicContact CD1-CE2 4.16Å; F216-F418 AromaticContact CD2-CE2 3.93Å; F216-F418 HydrophobicContact CD2-CE2 3.93Å; F216-F418 AromaticContact CG-CE2 3.6Å; F216-F418 HydrophobicContact CG-CE2 3.6Å; F216-F418 HydrophobicContact CG-CZ 4.21Å
217	K	88.8	Confident	92.6	Very high	48 Å²	48	29.5 Å²	29.5	21%	0.209	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	125	174.7	163.5	-173.2	-178.9	158.9	0	107.3	L136 E137 Y215 E377	L136-K217 CarbonylContact C-O 3.3Å; L136-K217 WeakPolarHBondContact CA-O 3.31Å; E137-K217 HydrophobicContact CB-CB 4.32Å; E137-K217 PolarHBondContact N-O 3.33Å; E137-K217 PolarHBondContact O-N 2.97Å; E137-K217 IonicContact OE1-NZ 2.71Å; Y215-K217 HydrophobicContact CE1-CB 4.07Å; K217-E377 HydrophobicContact CB-CB 4.4Å; K217-E377 HydrophobicContact CD-CB 4.37Å; K217-E377 VanDerWaalsContact CD-CD 3.49Å; K217-E377 WeakPolarHBondContact CD-OE2 3.32Å; K217-E377 WeakPolarHBondContact CE-OE2 3.41Å; K217-E377 HydrophobicContact CG-CB 3.83Å; K217-E377 HydrophobicContact CG-CG 4.45Å; K217-E377 IonicContact NZ-OE2 3.56Å; K217-E377 PolarHBondContact NZ-OE2 3.45Å
218	A	90.4	Very high	92.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	143.6	-179	0	0	0	0	0	110.6	G135 L136 F216 Y271 G375 T376	G135-A218 CarbonylContact O-C 3.6Å; G135-A218 VanDerWaalsContact O-CA 3.29Å; G135-A218 WeakPolarHBondContact O-CA 3.3Å; L136-A218 HydrophobicContact CD1-CB 3.65Å; F216-A218 HydrophobicContact CE1-CB 3.68Å; F216-A218 HydrophobicContact CE2-CB 4.32Å; F216-A218 HydrophobicContact CZ-CB 3.54Å; A218-Y271 HydrophobicContact CB-CD1 3.39Å; A218-Y271 HydrophobicContact CB-CD2 3.83Å; A218-Y271 HydrophobicContact CB-CE1 3.79Å; A218-Y271 HydrophobicContact CB-CE2 4.15Å; A218-Y271 HydrophobicContact CB-CG 3.43Å; A218-Y271 VanDerWaalsContact CB-CG 3.43Å; A218-G375 CarbonylContact O-C 3.58Å; A218-G375 VanDerWaalsContact O-CA 3.26Å; A218-G375 WeakPolarHBondContact O-CA 3.41Å; A218-T376 WeakPolarHBondContact CB-OG1 3.33Å; A218-T376 PolarHBondContact N-OG1 3.17Å; A218-T376 PolarHBondContact O-N 3.25Å; A218-T376 PolarHBondContact O-OG1 3.31Å
219	L	92.2	Very high	92.8	Very high	48 Å²	48	33 Å²	33	25%	0.251	18%	0.177	S	C	.	.	B	Isolated β-bridge	trans	-97.7	140.6	173.4	-64.8	177.5	0	0	0	110.4	G135 Y271 K272 A374	G135-L219 PolarHBondContact O-N 2.91Å; L219-Y271 CarbonylContact O-C 3.58Å; L219-Y271 WeakPolarHBondContact O-CA 3.15Å; L219-Y271 WeakPolarHBondContact O-CB 3.33Å; L219-Y271 WeakPolarHBondContact O-CD1 3.43Å; L219-K272 HydrophobicContact CB-CD 4.1Å; L219-K272 HydrophobicContact CB-CG 4.32Å; L219-K272 PolarHBondContact O-N 3.24Å; L219-A374 HydrophobicContact CD2-CB 4.42Å
220	W	93.9	Very high	92.9	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-59.6	140.9	173.1	-65.7	126.6	0	0	0	110.6	K222 M269 Y271 V277 F279 V371 D372 A374 G375	W220-K222 PolarHBondContact O-N 3.09Å; W220-M269 HydrophobicContact CD2-CE 4.18Å; W220-M269 HydrophobicContact CE3-CB 4.3Å; W220-M269 HydrophobicContact CE3-CE 4.09Å; W220-M269 HydrophobicContact CZ3-CB 3.92Å; W220-M269 HydrophobicContact CZ3-CE 4.34Å; W220-Y271 HydrophobicContact CD2-CD1 4.16Å; W220-Y271 AromaticContact CD2-CE1 3.84Å; W220-Y271 HydrophobicContact CD2-CE1 3.84Å; W220-Y271 AromaticContact CE3-CD1 3.53Å; W220-Y271 HydrophobicContact CE3-CD1 3.53Å; W220-Y271 AromaticContact CE3-CE1 3.32Å; W220-Y271 HydrophobicContact CE3-CE1 3.32Å; W220-Y271 HydrophobicContact CE3-CG 4.41Å; W220-Y271 HydrophobicContact CH2-CD1 4.45Å; W220-Y271 AromaticContact CH2-CE1 3.46Å; W220-Y271 HydrophobicContact CH2-CE1 3.46Å; W220-Y271 VanDerWaalsContact CH2-CE1 3.46Å; W220-Y271 AromaticContact CH2-CZ 3.52Å; W220-Y271 WeakPolarHBondContact CH2-OH 3.5Å; W220-Y271 AromaticContact CZ2-CE1 3.95Å; W220-Y271 HydrophobicContact CZ2-CE1 3.95Å; W220-Y271 AromaticContact CZ3-CD1 3.71Å; W220-Y271 HydrophobicContact CZ3-CD1 3.71Å; W220-Y271 AromaticContact CZ3-CE1 3.12Å; W220-Y271 HydrophobicContact CZ3-CE1 3.12Å; W220-Y271 HydrophobicContact CZ3-CE2 4.19Å; W220-Y271 HydrophobicContact CZ3-CG 4.42Å; W220-Y271 AromaticContact CZ3-CZ 3.39Å; W220-V277 HydrophobicContact CH2-CG2 4.24Å; W220-V277 HydrophobicContact CZ3-CG2 4.14Å; W220-F279 HydrophobicContact CH2-CE2 4.16Å; W220-F279 HydrophobicContact CH2-CZ 4.09Å; W220-V371 HydrophobicContact CZ2-CG1 3.95Å; W220-D372 PolarHBondContact NE1-O 3.45Å; W220-A374 VanDerWaalsContact CD1-C 3.43Å; W220-A374 PolarHBondContact N-O 2.95Å; W220-G375 VanDerWaalsContact CD1-N 3.26Å
221	E	93.2	Very high	92.9	Very high	106 Å²	106	40.5 Å²	40.5	50%	0.495	23%	0.225	S	C	.	.	S	Bend	trans	-61.7	-35.4	166.8	-171.6	177.8	-170.5	0	0	109.9	N270	E221-N270 HydrophobicContact CB-CB 4.1Å; E221-N270 WeakPolarHBondContact CB-O 3.4Å; E221-N270 PolarHBondContact N-O 3.3Å; E221-N270 WeakPolarHBondContact OE2-CB 3.21Å; E221-N270 PolarHBondContact OE2-ND2 2.84Å
222	K	93.6	Very high	93	Very high	42 Å²	42	45.3 Å²	45.3	18%	0.183	25%	0.246	C	C	.	.	S	Bend	trans	-127.9	89.6	179.1	-61.5	-179.1	175.3	-150.7	0	110.9	W220 Q249 E252 H253 Y312	W220-K222 PolarHBondContact O-N 3.09Å; K222-Q249 PolarHBondContact O-NE2 2.74Å; K222-E252 HydrophobicContact CB-CG 4.48Å; K222-E252 HydrophobicContact CD-CB 4.23Å; K222-E252 HydrophobicContact CD-CG 4.15Å; K222-E252 WeakPolarHBondContact CD-OE2 3.45Å; K222-E252 WeakPolarHBondContact CE-OE2 3.4Å; K222-E252 IonicContact NZ-OE2 3.77Å; K222-E252 PolarHBondContact NZ-OE2 3.04Å; K222-H253 PolarHBondContact NZ-O 2.78Å; K222-Y312 PolarHBondContact NZ-OH 2.99Å
223	P	93.7	Very high	93.3	Very high	39 Å²	39	48.4 Å²	48.4	25%	0.253	26%	0.263	S	S	.	.			trans	-70.4	159.6	-175.7	29.9	-35.8	0	0	0	112.8	Q249 E373 F384	P223-Q249 PolarHBondContact O-NE2 2.7Å; P223-E373 CarbonylContact C-O 3.56Å; P223-E373 WeakPolarHBondContact CA-O 3.31Å; P223-E373 VanDerWaalsContact CB-O 3.27Å; P223-E373 WeakPolarHBondContact CB-O 3.44Å; P223-F384 HydrophobicContact CG-CE2 4.34Å
224	F	93.5	Very high	93.6	Very high	11 Å²	11	48 Å²	48	5%	0.048	26%	0.261	C	S	.	.			trans	-83.7	160.7	172.2	-61.1	-99	0	0	0	110.9	M247 Q249 M269 L317 F319 E373	F224-M247 HydrophobicContact CB-CB 4.22Å; F224-M247 HydrophobicContact CB-SD 4.3Å; F224-M247 HydrophobicContact CD1-CB 3.56Å; F224-M247 HydrophobicContact CD2-CE 3.93Å; F224-M247 HydrophobicContact CD2-SD 3.97Å; F224-M247 HydrophobicContact CE1-CB 4.03Å; F224-M247 HydrophobicContact CE2-CE 3.81Å; F224-M247 HydrophobicContact CE2-SD 4.47Å; F224-M247 HydrophobicContact CG-CB 3.89Å; F224-M247 HydrophobicContact CG-CE 4.36Å; F224-M247 HydrophobicContact CG-SD 4.06Å; F224-M247 HydrophobicContact CZ-CE 4.15Å; F224-Q249 HydrophobicContact CD1-CB 3.66Å; F224-Q249 HydrophobicContact CE1-CB 3.73Å; F224-M269 HydrophobicContact CE2-CE 3.81Å; F224-M269 HydrophobicContact CZ-CE 3.9Å; F224-L317 HydrophobicContact CE1-CD2 4.1Å; F224-L317 HydrophobicContact CE1-CG 4.4Å; F224-L317 HydrophobicContact CZ-CD2 3.91Å; F224-F319 HydrophobicContact CE1-CB 4.11Å; F224-F319 HydrophobicContact CZ-CB 3.91Å; F224-F319 HydrophobicContact CZ-CG 4.45Å; F224-E373 HydrophobicContact CB-CB 3.92Å; F224-E373 HydrophobicContact CB-CG 3.89Å; F224-E373 PolarHBondContact N-O 3.28Å
225	I	92.6	Very high	94	Very high	72 Å²	72	52.8 Å²	52.8	37%	0.369	28%	0.28	S	S	.	.			trans	-97.3	113	173.9	-62	162.1	0	0	0	108.2	S227 R228	I225-S227 VanDerWaalsContact C-N 3.26Å; I225-S227 VanDerWaalsContact CG2-OG 3.31Å; I225-S227 WeakPolarHBondContact CG2-OG 3.42Å; I225-S227 PolarHBondContact O-N 3.31Å; I225-R228 HydrophobicContact CB-CG 4.28Å; I225-R228 HydrophobicContact CG2-CG 4.16Å; I225-R228 WeakPolarHBondContact O-CB 3.05Å; I225-R228 PolarHBondContact O-N 3.14Å
226	S	91.7	Very high	94.3	Very high	82 Å²	82	53.3 Å²	53.3	57%	0.573	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-59.1	-31.3	-176.2	56.8	0	0	0	0	114.3	R228 T229	S226-R228 PolarHBondContact O-N 3.16Å; S226-R228 VanDerWaalsContact O-N 3.09Å; S226-T229 WeakPolarHBondContact O-CB 3.48Å; S226-T229 PolarHBondContact O-N 3.31Å; S226-T229 VanDerWaalsContact O-N 3.09Å; S226-T229 PolarHBondContact O-OG1 3.4Å
227	S	92.7	Very high	94.5	Very high	99 Å²	99	56.2 Å²	56.2	69%	0.692	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-67	-8.7	176	71.9	0	0	0	0	113.8	I225	I225-S227 VanDerWaalsContact C-N 3.26Å; I225-S227 VanDerWaalsContact CG2-OG 3.31Å; I225-S227 WeakPolarHBondContact CG2-OG 3.42Å; I225-S227 PolarHBondContact O-N 3.31Å
228	R	94.8	Very high	94.5	Very high	71 Å²	71	62.3 Å²	62.3	27%	0.268	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-105.5	-0.2	176.7	-58.9	-175.1	65.4	179.8	0.1	112.9	I225 S226 L248 D250	I225-R228 HydrophobicContact CB-CG 4.28Å; I225-R228 HydrophobicContact CG2-CG 4.16Å; I225-R228 WeakPolarHBondContact O-CB 3.05Å; I225-R228 PolarHBondContact O-N 3.14Å; S226-R228 PolarHBondContact O-N 3.16Å; S226-R228 VanDerWaalsContact O-N 3.09Å; R228-L248 HydrophobicContact CB-CB 4.42Å; R228-D250 IonicContact CZ-OD1 3.66Å; R228-D250 IonicContact CZ-OD2 2.84Å; R228-D250 IonicContact NH1-OD1 3.93Å; R228-D250 PolarHBondContact NH1-OD1 3.11Å; R228-D250 IonicContact NH1-OD2 3.63Å; R228-D250 IonicContact NH2-OD1 2.71Å; R228-D250 PolarHBondContact NH2-OD1 3.05Å; R228-D250 IonicContact NH2-OD2 2.74Å; R228-D250 PolarHBondContact NH2-OD2 2.57Å
229	T	96.3	Very high	94.7	Very high	30 Å²	30	69.5 Å²	69.5	18%	0.184	37%	0.367	C	S	.	.			trans	-75.3	123.3	173.8	-57.7	0	0	0	0	109	S226 P245 M246 M247 E373	S226-T229 WeakPolarHBondContact O-CB 3.48Å; S226-T229 PolarHBondContact O-N 3.31Å; S226-T229 VanDerWaalsContact O-N 3.09Å; S226-T229 PolarHBondContact O-OG1 3.4Å; T229-P245 HydrophobicContact CG2-CB 3.78Å; T229-M246 WeakPolarHBondContact CA-O 3.27Å; T229-M247 HydrophobicContact CG2-CG 4.16Å; T229-E373 WeakPolarHBondContact CB-OE1 3.27Å; T229-E373 PolarHBondContact OG1-OE1 3.07Å
230	T	96.9	Very high	94.9	Very high	65 Å²	65	70 Å²	70	40%	0.399	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	149	-179.6	54.6	0	0	0	0	111	K232 M246	T230-K232 PolarHBondContact O-N 2.65Å; T230-K232 WeakPolarHBondContact OG1-CE 3.26Å; T230-M246 PolarHBondContact N-O 3.17Å; T230-M246 WeakPolarHBondContact O-CB 3.37Å; T230-M246 PolarHBondContact O-N 3.02Å
231	P	98.2	Very high	95	Very high	97 Å²	97	73.3 Å²	73.3	63%	0.63	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	130.6	172.1	-24.1	34.7	0	0	0	111.4	V244	P231-V244 WeakPolarHBondContact CA-O 3.41Å
232	K	98.3	Very high	95.2	Very high	101 Å²	101	69.6 Å²	69.6	44%	0.439	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.5	174.1	-62.2	-68.5	178.9	-174.7	0	110.8	T230 Q243 V244 M246	T230-K232 PolarHBondContact O-N 2.65Å; T230-K232 WeakPolarHBondContact OG1-CE 3.26Å; K232-Q243 VanDerWaalsContact C-OE1 3.25Å; K232-Q243 PolarHBondContact O-OE1 2.83Å; K232-V244 PolarHBondContact N-O 3.23Å; K232-V244 PolarHBondContact O-N 2.93Å; K232-M246 HydrophobicContact CB-CB 3.66Å; K232-M246 HydrophobicContact CB-CE 4.34Å; K232-M246 HydrophobicContact CB-CG 4.15Å; K232-M246 HydrophobicContact CG-CB 3.5Å; K232-M246 VanDerWaalsContact CG-CB 3.5Å; K232-M246 HydrophobicContact CG-CG 3.96Å
233	D	98.3	Very high	95.5	Very high	66 Å²	66	73.1 Å²	73.1	35%	0.353	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	135.6	174.8	-58.3	-31.5	0	0	0	111.8	Y235 T241 Q243 N401	D233-Y235 HydrophobicContact CB-CE2 4.43Å; D233-T241 HydrophobicContact CB-CG2 3.69Å; D233-Q243 PolarHBondContact OD1-NE2 3.37Å; D233-N401 WeakPolarHBondContact O-CB 3.46Å
234	F	98.5	Very high	95.6	Very high	0 Å²	0	71.4 Å²	71.4	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.5	165.5	-169.7	-75	0	0	0	108.9	V236 T241 V242 V244 P320 F400 N401 R402 F404 V423 P425	F234-V236 HydrophobicContact CD1-CG2 4.19Å; F234-V236 PolarHBondContact O-N 2.83Å; F234-T241 WeakPolarHBondContact O-CA 3.23Å; F234-V242 HydrophobicContact CB-CG2 3.96Å; F234-V242 HydrophobicContact CD1-CG2 4.45Å; F234-V242 PolarHBondContact N-O 3.09Å; F234-V242 PolarHBondContact O-N 2.92Å; F234-V244 HydrophobicContact CB-CG1 3.77Å; F234-V244 HydrophobicContact CB-CG2 3.96Å; F234-V244 HydrophobicContact CD2-CG2 4.48Å; F234-V244 HydrophobicContact CG-CG1 4.41Å; F234-P320 HydrophobicContact CE2-CG 4.36Å; F234-F400 WeakPolarHBondContact CE2-O 2.97Å; F234-N401 CarbonylContact C-O 3.56Å; F234-N401 WeakPolarHBondContact CA-O 3.33Å; F234-R402 VanDerWaalsContact CZ-O 3.25Å; F234-R402 WeakPolarHBondContact CZ-O 3.19Å; F234-F404 HydrophobicContact CE2-CD1 4.28Å; F234-F404 AromaticContact CE2-CE1 3.99Å; F234-F404 HydrophobicContact CE2-CE1 3.99Å; F234-F404 HydrophobicContact CZ-CD1 4.25Å; F234-F404 HydrophobicContact CZ-CE1 4.2Å; F234-V423 VanDerWaalsContact CE1-O 3.3Å; F234-V423 WeakPolarHBondContact CE1-O 3.48Å; F234-P425 HydrophobicContact CB-CG 4.44Å; F234-P425 HydrophobicContact CD1-CG 4.09Å; F234-P425 HydrophobicContact CD2-CG 3.83Å; F234-P425 HydrophobicContact CE1-CG 4.3Å; F234-P425 HydrophobicContact CE2-CG 4.05Å; F234-P425 HydrophobicContact CG-CG 3.86Å; F234-P425 HydrophobicContact CZ-CG 4.26Å
235	Y	97.8	Very high	95.8	Very high	105 Å²	105	73.9 Å²	73.9	41%	0.412	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	98	-177.2	-54.1	-79.3	0	0	0	109.2	D233 D237 T241 N401 R402 P403	D233-Y235 HydrophobicContact CB-CE2 4.43Å; Y235-D237 VanDerWaalsContact C-N 3.35Å; Y235-T241 HydrophobicContact CD1-CG2 4.24Å; Y235-T241 WeakPolarHBondContact CD1-OG1 3.35Å; Y235-T241 HydrophobicContact CE1-CG2 4.28Å; Y235-N401 VanDerWaalsContact CD2-O 3.27Å; Y235-N401 WeakPolarHBondContact CD2-O 3.27Å; Y235-N401 WeakPolarHBondContact CE2-ND2 3.36Å; Y235-N401 PolarHBondContact N-O 2.99Å; Y235-R402 WeakPolarHBondContact O-CA 3.31Å; Y235-P403 WeakPolarHBondContact O-CD 3.25Å
236	V	95.4	Very high	96.1	Very high	16 Å²	16	70.7 Å²	70.7	10%	0.097	38%	0.384	C	S	.	.	S	Bend	trans	-67.2	-41.1	-179.3	177.1	0	0	0	0	110.3	F234 T240 V242 P403 V423 D424	F234-V236 HydrophobicContact CD1-CG2 4.19Å; F234-V236 PolarHBondContact O-N 2.83Å; V236-T240 HydrophobicContact CB-CG2 4.27Å; V236-T240 PolarHBondContact N-O 2.64Å; V236-V242 HydrophobicContact CG2-CG1 4.06Å; V236-V242 HydrophobicContact CG2-CG2 3.86Å; V236-P403 VanDerWaalsContact O-CG 3.31Å; V236-P403 WeakPolarHBondContact O-CG 3.32Å; V236-V423 HydrophobicContact CG1-CG1 3.9Å; V236-D424 HydrophobicContact CG1-CB 4.23Å; V236-D424 HydrophobicContact CG2-CB 4.13Å
237	D	92.9	Very high	96.4	Very high	81 Å²	81	66.8 Å²	66.8	43%	0.433	36%	0.357	S	S	.	.	S	Bend	trans	-152.6	-174.8	172.3	54.9	53.6	0	0	0	109.2	Y235 N239 T240	Y235-D237 VanDerWaalsContact C-N 3.35Å; D237-N239 PolarHBondContact O-N 3.15Å; D237-N239 WeakPolarHBondContact OD1-CA 3.42Å; D237-N239 PolarHBondContact OD1-N 3.15Å; D237-T240 WeakPolarHBondContact OD1-CB 3.28Å; D237-T240 PolarHBondContact OD1-N 3.44Å; D237-T240 PolarHBondContact OD1-OG1 2.99Å; D237-T240 PolarHBondContact OD2-OG1 3.09Å
238	E	90.5	Very high	96.6	Very high	176 Å²	176	63.8 Å²	63.8	82%	0.822	33%	0.333	S	S	*	.	S	Bend	trans	-61.3	-21.8	-179.3	-65.4	-175.5	-179.5	0	0	113.5
239	N	93.6	Very high	96.6	Very high	150 Å²	150	61 Å²	61	80%	0.802	32%	0.323	S	S	*	.	S	Bend	trans	-110.5	-16.6	-171.8	-66.1	63.2	0	0	0	112.7	D237	D237-N239 PolarHBondContact O-N 3.15Å; D237-N239 WeakPolarHBondContact OD1-CA 3.42Å; D237-N239 PolarHBondContact OD1-N 3.15Å
240	T	95.8	Very high	96.4	Very high	60 Å²	60	61 Å²	61	37%	0.368	32%	0.322	S	S	.	.			trans	-123.7	116.8	-168	-48.7	0	0	0	0	110.8	V236 D237	V236-T240 HydrophobicContact CB-CG2 4.27Å; V236-T240 PolarHBondContact N-O 2.64Å; D237-T240 WeakPolarHBondContact OD1-CB 3.28Å; D237-T240 PolarHBondContact OD1-N 3.44Å; D237-T240 PolarHBondContact OD1-OG1 2.99Å; D237-T240 PolarHBondContact OD2-OG1 3.09Å
241	T	97.4	Very high	95.9	Very high	71 Å²	71	61.3 Å²	61.3	44%	0.436	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.7	173.5	-57	0	0	0	0	109.9	D233 F234 Y235	D233-T241 HydrophobicContact CB-CG2 3.69Å; F234-T241 WeakPolarHBondContact O-CA 3.23Å; Y235-T241 HydrophobicContact CD1-CG2 4.24Å; Y235-T241 WeakPolarHBondContact CD1-OG1 3.35Å; Y235-T241 HydrophobicContact CE1-CG2 4.28Å
242	V	97.7	Very high	95.6	Very high	28 Å²	28	60 Å²	60	17%	0.17	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	151	175.9	-60.2	0	0	0	0	110.4	F234 V236 V244 T426	F234-V242 HydrophobicContact CB-CG2 3.96Å; F234-V242 HydrophobicContact CD1-CG2 4.45Å; F234-V242 PolarHBondContact N-O 3.09Å; F234-V242 PolarHBondContact O-N 2.92Å; V236-V242 HydrophobicContact CG2-CG1 4.06Å; V236-V242 HydrophobicContact CG2-CG2 3.86Å; V242-V244 HydrophobicContact CG2-CG1 4.01Å; V242-T426 HydrophobicContact CB-CG2 4.05Å; V242-T426 HydrophobicContact CG2-CG2 3.87Å
243	Q	97.9	Very high	95.4	Very high	115 Å²	115	58.3 Å²	58.3	54%	0.537	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	129.7	173.6	-73.3	-66.1	-26.8	0	0	110	K232 D233	K232-Q243 VanDerWaalsContact C-OE1 3.25Å; K232-Q243 PolarHBondContact O-OE1 2.83Å; D233-Q243 PolarHBondContact OD1-NE2 3.37Å
244	V	97.8	Very high	95.3	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.018	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	147.1	179.9	-54.1	0	0	0	0	110.1	P231 K232 F234 V242 M246 P320 P425 T426	P231-V244 WeakPolarHBondContact CA-O 3.41Å; K232-V244 PolarHBondContact N-O 3.23Å; K232-V244 PolarHBondContact O-N 2.93Å; F234-V244 HydrophobicContact CB-CG1 3.77Å; F234-V244 HydrophobicContact CB-CG2 3.96Å; F234-V244 HydrophobicContact CD2-CG2 4.48Å; F234-V244 HydrophobicContact CG-CG1 4.41Å; V242-V244 HydrophobicContact CG2-CG1 4.01Å; V244-M246 HydrophobicContact CG2-CE 3.7Å; V244-M246 PolarHBondContact O-N 2.82Å; V244-M246 VanDerWaalsContact O-N 3.09Å; V244-P320 HydrophobicContact CG2-CB 4.11Å; V244-P425 HydrophobicContact CB-CG 4.42Å; V244-P425 HydrophobicContact CG1-CB 4.37Å; V244-P425 HydrophobicContact CG1-CG 3.43Å; V244-P425 VanDerWaalsContact CG1-CG 3.43Å; V244-T426 HydrophobicContact CG1-CG2 3.93Å
245	P	97.8	Very high	95.3	Very high	64 Å²	64	57.5 Å²	57.5	42%	0.416	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	111.6	168.6	-8.2	23.2	0	0	0	108.7	T229 R321	T229-P245 HydrophobicContact CG2-CB 3.78Å; P245-R321 HydrophobicContact CB-CB 4.22Å; P245-R321 PolarHBondContact O-N 2.7Å
246	M	98.3	Very high	95.3	Very high	5 Å²	5	53 Å²	53	3%	0.025	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.8	-177.9	-169.8	67.6	65.8	0	0	109.5	T229 T230 K232 V244 H318 F319 P320 N401	T229-M246 WeakPolarHBondContact CA-O 3.27Å; T230-M246 PolarHBondContact N-O 3.17Å; T230-M246 WeakPolarHBondContact O-CB 3.37Å; T230-M246 PolarHBondContact O-N 3.02Å; K232-M246 HydrophobicContact CB-CB 3.66Å; K232-M246 HydrophobicContact CB-CE 4.34Å; K232-M246 HydrophobicContact CB-CG 4.15Å; K232-M246 HydrophobicContact CG-CB 3.5Å; K232-M246 VanDerWaalsContact CG-CB 3.5Å; K232-M246 HydrophobicContact CG-CG 3.96Å; V244-M246 HydrophobicContact CG2-CE 3.7Å; V244-M246 PolarHBondContact O-N 2.82Å; V244-M246 VanDerWaalsContact O-N 3.09Å; M246-H318 HydrophobicContact CG-CB 3.93Å; M246-H318 VanDerWaalsContact SD-C 3.59Å; M246-H318 HydrophobicContact SD-CB 3.99Å; M246-F319 PolarHBondContact SD-N 2.92Å; M246-F319 VanDerWaalsContact SD-N 3.4Å; M246-P320 HydrophobicContact CE-CB 4.37Å; M246-P320 HydrophobicContact SD-CB 4.39Å; M246-N401 HydrophobicContact CE-CB 4.19Å
247	M	97.6	Very high	95.3	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	145.8	175.5	-51.4	-177.9	-67.8	0	0	109.6	F224 T229 H318 F319 R321 V371 D372 E373	F224-M247 HydrophobicContact CB-CB 4.22Å; F224-M247 HydrophobicContact CB-SD 4.3Å; F224-M247 HydrophobicContact CD1-CB 3.56Å; F224-M247 HydrophobicContact CD2-CE 3.93Å; F224-M247 HydrophobicContact CD2-SD 3.97Å; F224-M247 HydrophobicContact CE1-CB 4.03Å; F224-M247 HydrophobicContact CE2-CE 3.81Å; F224-M247 HydrophobicContact CE2-SD 4.47Å; F224-M247 HydrophobicContact CG-CB 3.89Å; F224-M247 HydrophobicContact CG-CE 4.36Å; F224-M247 HydrophobicContact CG-SD 4.06Å; F224-M247 HydrophobicContact CZ-CE 4.15Å; T229-M247 HydrophobicContact CG2-CG 4.16Å; M247-H318 WeakPolarHBondContact O-CA 3.47Å; M247-F319 WeakPolarHBondContact CA-O 3.33Å; M247-F319 VanDerWaalsContact CB-O 3.3Å; M247-F319 WeakPolarHBondContact CB-O 3.42Å; M247-F319 HydrophobicContact CE-CB 4.29Å; M247-F319 HydrophobicContact CE-CD1 3.73Å; M247-F319 HydrophobicContact CE-CG 4.48Å; M247-F319 PolarHBondContact N-O 2.78Å; M247-F319 PolarHBondContact O-N 2.84Å; M247-R321 HydrophobicContact CG-CB 4.01Å; M247-R321 HydrophobicContact SD-CB 4.07Å; M247-V371 HydrophobicContact CE-CG1 4.13Å; M247-D372 VanDerWaalsContact SD-C 3.52Å; M247-E373 HydrophobicContact CG-CG 4.15Å; M247-E373 HydrophobicContact SD-CB 4.3Å; M247-E373 HydrophobicContact SD-CG 3.69Å; M247-E373 PolarHBondContact SD-N 3.48Å
248	L	96.6	Very high	95.6	Very high	35 Å²	35	53.7 Å²	53.7	18%	0.183	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.1	-179.5	176.8	60.4	0	0	0	110.9	R228 E316 L317	R228-L248 HydrophobicContact CB-CB 4.42Å; L248-E316 HydrophobicContact CD1-CG 3.9Å; L248-L317 WeakPolarHBondContact CA-O 3.41Å
249	Q	94.8	Very high	95.9	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.061	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	119.6	171.9	-169.6	174.7	47.9	0	0	109.3	K222 P223 F224 E252 H254 L317	K222-Q249 PolarHBondContact O-NE2 2.74Å; P223-Q249 PolarHBondContact O-NE2 2.7Å; F224-Q249 HydrophobicContact CD1-CB 3.66Å; F224-Q249 HydrophobicContact CE1-CB 3.73Å; Q249-E252 HydrophobicContact CG-CB 4.06Å; Q249-E252 HydrophobicContact CG-CG 3.94Å; Q249-H254 PolarHBondContact OE1-CE1 2.94Å; Q249-H254 PolarHBondContact OE1-NE2 3.2Å; Q249-L317 PolarHBondContact N-O 3.35Å; Q249-L317 PolarHBondContact O-N 3.11Å
250	D	92.6	Very high	95.9	Very high	29 Å²	29	49.4 Å²	49.4	16%	0.155	24%	0.238	C	C	.	.			trans	-134.3	-1.8	-173.4	67.1	-7.3	0	0	0	113.8	R228 E316 N394	R228-D250 IonicContact CZ-OD1 3.66Å; R228-D250 IonicContact CZ-OD2 2.84Å; R228-D250 IonicContact NH1-OD1 3.93Å; R228-D250 PolarHBondContact NH1-OD1 3.11Å; R228-D250 IonicContact NH1-OD2 3.63Å; R228-D250 IonicContact NH2-OD1 2.71Å; R228-D250 PolarHBondContact NH2-OD1 3.05Å; R228-D250 IonicContact NH2-OD2 2.74Å; R228-D250 PolarHBondContact NH2-OD2 2.57Å; D250-E316 HydrophobicContact CB-CB 4.33Å; D250-E316 HydrophobicContact CB-CG 4.07Å; D250-N394 PolarHBondContact O-ND2 2.89Å
251	Q	86.9	Confident	95.8	Very high	73 Å²	73	55.7 Å²	55.7	34%	0.341	26%	0.257	S	S	.	.	S	Bend	trans	-94.5	-11.8	177.9	-57.6	-54	-50.4	0	0	112.4
252	E	90.8	Very high	95.8	Very high	68 Å²	68	53.8 Å²	53.8	32%	0.318	24%	0.244	S	C	.	.	S	Bend	trans	-99.8	152	-169.9	-70.6	-59.7	153.8	0	0	113.3	K222 Q249 L315	K222-E252 HydrophobicContact CB-CG 4.48Å; K222-E252 HydrophobicContact CD-CB 4.23Å; K222-E252 HydrophobicContact CD-CG 4.15Å; K222-E252 WeakPolarHBondContact CD-OE2 3.45Å; K222-E252 WeakPolarHBondContact CE-OE2 3.4Å; K222-E252 IonicContact NZ-OE2 3.77Å; K222-E252 PolarHBondContact NZ-OE2 3.04Å; Q249-E252 HydrophobicContact CG-CB 4.06Å; Q249-E252 HydrophobicContact CG-CG 3.94Å; E252-L315 PolarHBondContact O-N 2.85Å
253	H	94.4	Very high	95.8	Very high	66 Å²	66	53.9 Å²	53.9	31%	0.306	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	138.8	163.9	-64.7	71.7	0	0	0	109.3	K222 Y312 K313 K314	K222-H253 PolarHBondContact NZ-O 2.78Å; H253-Y312 HydrophobicContact CB-CD1 4.06Å; H253-Y312 HydrophobicContact CB-CD2 4.12Å; H253-Y312 HydrophobicContact CB-CE1 3.6Å; H253-Y312 HydrophobicContact CB-CE2 3.65Å; H253-Y312 HydrophobicContact CB-CG 4.32Å; H253-Y312 WeakPolarHBondContact O-CE2 3.18Å; H253-K313 CarbonylContact C-O 3.56Å; H253-K313 VanDerWaalsContact CA-O 3.28Å; H253-K313 WeakPolarHBondContact CA-O 3.49Å; H253-K314 PolarHBondContact CD2-N 3.49Å; H253-K314 WeakPolarHBondContact CE1-CE 3.49Å; H253-K314 VanDerWaalsContact NE2-CG 3.31Å; H253-K314 WeakPolarHBondContact NE2-CG 3.5Å
254	H	96.3	Very high	95.8	Very high	7 Å²	7	48.6 Å²	48.6	3%	0.032	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	152.2	178.5	-71.4	-87.6	0	0	0	110.7	Q249 Y256 L267 F311 Y312 K313 L315	Q249-H254 PolarHBondContact OE1-CE1 2.94Å; Q249-H254 PolarHBondContact OE1-NE2 3.2Å; H254-Y256 HydrophobicContact CB-CD1 4.42Å; H254-Y256 PolarHBondContact O-N 2.76Å; H254-L267 HydrophobicContact CB-CD1 3.85Å; H254-F311 VanDerWaalsContact O-O 3.13Å; H254-Y312 WeakPolarHBondContact O-CA 3.43Å; H254-K313 PolarHBondContact N-O 3.48Å; H254-K313 PolarHBondContact O-N 2.82Å; H254-L315 HydrophobicContact CB-CB 4.24Å; H254-L315 HydrophobicContact CB-CD2 4.01Å
255	W	97.8	Very high	95.9	Very high	43 Å²	43	48.9 Å²	48.9	16%	0.163	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	105.7	169	-57.5	95.4	0	0	0	107.8	R268 L306 F311 Y312	W255-R268 HydrophobicContact CB-CB 3.96Å; W255-R268 HydrophobicContact CB-CG 4.39Å; W255-R268 PolarHBondContact O-N 2.88Å; W255-L306 HydrophobicContact CB-CD2 4.44Å; W255-F311 WeakPolarHBondContact CA-O 3.23Å; W255-Y312 AromaticContact CD1-CD2 3.82Å; W255-Y312 AromaticContact CD2-CD2 3.56Å; W255-Y312 HydrophobicContact CD2-CD2 3.56Å; W255-Y312 HydrophobicContact CD2-CE2 4.42Å; W255-Y312 HydrophobicContact CD2-CG 4.12Å; W255-Y312 AromaticContact CE2-CD2 3.42Å; W255-Y312 VanDerWaalsContact CE2-CD2 3.42Å; W255-Y312 AromaticContact CE2-CE2 3.93Å; W255-Y312 HydrophobicContact CE3-CD2 4.15Å; W255-Y312 HydrophobicContact CE3-CG 4.27Å; W255-Y312 AromaticContact CG-CD2 3.83Å; W255-Y312 HydrophobicContact CG-CD2 3.83Å; W255-Y312 HydrophobicContact CG-CE2 4.5Å; W255-Y312 HydrophobicContact CH2-CG 4.31Å; W255-Y312 AromaticContact CZ2-CD2 3.94Å; W255-Y312 HydrophobicContact CZ2-CD2 3.94Å; W255-Y312 HydrophobicContact CZ2-CE2 4.43Å; W255-Y312 HydrophobicContact CZ2-CG 4.11Å; W255-Y312 HydrophobicContact CZ3-CG 4.38Å; W255-Y312 AromaticContact NE1-CD2 3.56Å; W255-Y312 AromaticContact NE1-CE2 3.66Å
256	Y	97.9	Very high	95.9	Very high	10 Å²	10	45.8 Å²	45.8	4%	0.039	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	155.2	177.1	77.6	-80.1	0	0	0	112.2	H254 H258 V266 F311 K313 L315 H396 L398	H254-Y256 HydrophobicContact CB-CD1 4.42Å; H254-Y256 PolarHBondContact O-N 2.76Å; Y256-H258 AromaticContact CE2-NE2 3.79Å; Y256-V266 CarbonylContact C-O 3.52Å; Y256-V266 WeakPolarHBondContact CA-O 3.19Å; Y256-V266 WeakPolarHBondContact CB-O 3.44Å; Y256-F311 PolarHBondContact N-O 3.12Å; Y256-F311 WeakPolarHBondContact O-CB 3.36Å; Y256-K313 HydrophobicContact CE1-CB 3.87Å; Y256-L315 HydrophobicContact CD1-CB 4.3Å; Y256-L315 HydrophobicContact CD1-CD1 4.42Å; Y256-L315 HydrophobicContact CD1-CD2 3.94Å; Y256-L315 HydrophobicContact CD1-CG 4.46Å; Y256-L315 HydrophobicContact CE1-CB 4.02Å; Y256-L315 HydrophobicContact CE1-CD1 4.06Å; Y256-L315 HydrophobicContact CE1-CD2 4.34Å; Y256-L315 HydrophobicContact CE1-CG 4.38Å; Y256-L315 HydrophobicContact CE2-CD1 4.3Å; Y256-L315 HydrophobicContact CG-CD2 4.16Å; Y256-H396 WeakPolarHBondContact OH-CB 3.5Å; Y256-H396 PolarHBondContact OH-CD2 3Å; Y256-H396 VanDerWaalsContact OH-CD2 3.31Å; Y256-L398 HydrophobicContact CD2-CD1 4.39Å
257	L	97.1	Very high	95.9	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	150.6	173.9	61.8	82.7	0	0	0	110.8	D259 S265 V266 L305 L306 F311	L257-D259 HydrophobicContact CD1-CB 4.05Å; L257-S265 CarbonylContact O-C 3.52Å; L257-S265 VanDerWaalsContact O-CA 3.29Å; L257-S265 WeakPolarHBondContact O-CA 3.23Å; L257-V266 HydrophobicContact CD1-CB 4.01Å; L257-V266 HydrophobicContact CD1-CG2 4.02Å; L257-V266 HydrophobicContact CG-CB 4.2Å; L257-V266 PolarHBondContact N-O 2.92Å; L257-V266 PolarHBondContact O-N 2.95Å; L257-L305 HydrophobicContact CD2-CB 3.7Å; L257-L305 HydrophobicContact CD2-CD1 4.08Å; L257-L306 HydrophobicContact CB-CD2 4.19Å; L257-L306 HydrophobicContact CD2-CD1 4.32Å; L257-L306 HydrophobicContact CD2-CD2 3.76Å; L257-L306 HydrophobicContact CD2-CG 3.71Å; L257-L306 HydrophobicContact CG-CD2 3.87Å; L257-L306 HydrophobicContact CG-CG 4.25Å; L257-F311 HydrophobicContact CB-CD1 3.54Å; L257-F311 HydrophobicContact CB-CE1 3.7Å; L257-F311 HydrophobicContact CB-CG 4.37Å
258	H	97.4	Very high	95.9	Very high	105 Å²	105	47 Å²	47	49%	0.486	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.1	156.8	-56.6	-67.4	0	0	0	105.6	Y256 S265	Y256-H258 AromaticContact CE2-NE2 3.79Å; H258-S265 PolarHBondContact ND1-OG 3.1Å
259	D	96.9	Very high	95.9	Very high	18 Å²	18	45.8 Å²	45.8	10%	0.096	20%	0.2	C	C	.	.			trans	-66.7	139.6	-178.4	-158.3	-51.8	0	0	0	109.6	L257 Y261 L262 C264 R301 W302	L257-D259 HydrophobicContact CD1-CB 4.05Å; D259-Y261 PolarHBondContact OD1-N 3.24Å; D259-L262 HydrophobicContact CB-CB 4.09Å; D259-L262 WeakPolarHBondContact CB-O 3.21Å; D259-L262 PolarHBondContact OD1-N 3.14Å; D259-C264 PolarHBondContact N-O 3.35Å; D259-R301 IonicContact OD1-CZ 3.79Å; D259-R301 IonicContact OD1-NH1 3.71Å; D259-R301 IonicContact OD1-NH2 2.94Å; D259-R301 PolarHBondContact OD1-NH2 2.95Å; D259-R301 IonicContact OD2-CZ 3.39Å; D259-R301 IonicContact OD2-NH1 2.68Å; D259-R301 PolarHBondContact OD2-NH1 2.9Å; D259-R301 IonicContact OD2-NH2 3.18Å; D259-R301 PolarHBondContact OD2-NH2 3.12Å; D259-W302 PolarHBondContact OD2-NE1 2.82Å
260	R	94.6	Very high	95.9	Very high	219 Å²	219	46.7 Å²	46.7	83%	0.826	21%	0.206	S	C	*	.	S	Bend	trans	-82.7	-23.7	-177.9	-66.2	-177.4	-178.5	-178.3	-1.4	112.4
261	Y	94.3	Very high	96	Very high	192 Å²	192	45.6 Å²	45.6	75%	0.753	20%	0.199	S	C	*	.	S	Bend	trans	-110.9	-28.5	-175.2	-54.2	-73.4	0	0	0	112.1	D259	D259-Y261 PolarHBondContact OD1-N 3.24Å
262	L	97	Very high	96.1	Very high	30 Å²	30	46.5 Å²	46.5	16%	0.157	20%	0.202	C	C	.	.	S	Bend	trans	-106.7	144.2	178.2	-61.9	-178.5	0	0	0	111.1	D259 C264 I290 V293 M298 W302	D259-L262 HydrophobicContact CB-CB 4.09Å; D259-L262 WeakPolarHBondContact CB-O 3.21Å; D259-L262 PolarHBondContact OD1-N 3.14Å; L262-C264 PolarHBondContact O-N 3.31Å; L262-I290 HydrophobicContact CB-CD1 3.91Å; L262-V293 HydrophobicContact CD1-CG2 3.66Å; L262-V293 HydrophobicContact CD2-CG2 3.8Å; L262-V293 HydrophobicContact CG-CG2 4.38Å; L262-M298 HydrophobicContact CD1-CE 3.69Å; L262-M298 HydrophobicContact CD1-CG 4.32Å; L262-M298 HydrophobicContact CD1-SD 3.7Å; L262-W302 HydrophobicContact CD1-CZ2 3.9Å
263	P	97.4	Very high	96.1	Very high	30 Å²	30	45.1 Å²	45.1	20%	0.195	21%	0.206	C	C	.	.	S	Bend	trans	-79.5	61.9	179.5	35.2	-38.1	0	0	0	110.9	N283 K286 I290	P263-N283 HydrophobicContact CB-CB 4.17Å; P263-N283 WeakPolarHBondContact O-CB 3.47Å; P263-N283 VanDerWaalsContact O-CG 3.27Å; P263-N283 PolarHBondContact O-N 2.98Å; P263-N283 PolarHBondContact O-OD1 3.32Å; P263-K286 HydrophobicContact CB-CB 4.17Å; P263-K286 HydrophobicContact CB-CG 3.92Å; P263-K286 HydrophobicContact CG-CB 3.81Å; P263-K286 HydrophobicContact CG-CD 4.26Å; P263-K286 HydrophobicContact CG-CG 3.92Å; P263-I290 HydrophobicContact CG-CD1 4.08Å
264	C	98.3	Very high	95.9	Very high	4 Å²	4	46.5 Å²	46.5	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	161.5	178.3	69	0	0	0	0	113.2	D259 L262 I280 L281 I290	D259-C264 PolarHBondContact N-O 3.35Å; L262-C264 PolarHBondContact O-N 3.31Å; C264-I280 HydrophobicContact CB-CG2 4.03Å; C264-L281 WeakPolarHBondContact CA-O 3.43Å; C264-I290 HydrophobicContact CB-CD1 3.65Å; C264-I290 HydrophobicContact CB-CG1 3.97Å
265	S	98.5	Very high	95.7	Very high	9 Å²	9	46.2 Å²	46.2	6%	0.063	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	138.6	166.9	-51.1	0	0	0	0	109.2	L257 H258 L281	L257-S265 CarbonylContact O-C 3.52Å; L257-S265 VanDerWaalsContact O-CA 3.29Å; L257-S265 WeakPolarHBondContact O-CA 3.23Å; H258-S265 PolarHBondContact ND1-OG 3.1Å; S265-L281 PolarHBondContact N-O 2.87Å; S265-L281 PolarHBondContact O-N 3.33Å
266	V	98.5	Very high	95.6	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	120.7	179.1	-173.4	0	0	0	0	108.6	Y256 L257 F278 I280 W302 L306	Y256-V266 CarbonylContact C-O 3.52Å; Y256-V266 WeakPolarHBondContact CA-O 3.19Å; Y256-V266 WeakPolarHBondContact CB-O 3.44Å; L257-V266 HydrophobicContact CD1-CB 4.01Å; L257-V266 HydrophobicContact CD1-CG2 4.02Å; L257-V266 HydrophobicContact CG-CB 4.2Å; L257-V266 PolarHBondContact N-O 2.92Å; L257-V266 PolarHBondContact O-N 2.95Å; V266-F278 HydrophobicContact CG1-CD1 4.27Å; V266-I280 HydrophobicContact CG1-CG1 4.27Å; V266-I280 HydrophobicContact CG2-CG1 4.25Å; V266-I280 HydrophobicContact CG2-CG2 4.24Å; V266-W302 HydrophobicContact CG1-CB 4.44Å; V266-W302 HydrophobicContact CG1-CG 4.43Å; V266-W302 HydrophobicContact CG2-CD2 3.9Å; V266-W302 HydrophobicContact CG2-CE3 4.49Å; V266-W302 HydrophobicContact CG2-CG 4.06Å; V266-W302 HydrophobicContact CG2-CZ2 4.22Å; V266-L306 HydrophobicContact CB-CD1 4.22Å; V266-L306 HydrophobicContact CG1-CD1 3.62Å
267	L	98.5	Very high	95.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	131.3	171.8	172.6	68	0	0	0	108.6	H254 M269 F278 F279 L315 L317 F400	H254-L267 HydrophobicContact CB-CD1 3.85Å; L267-M269 HydrophobicContact CD1-CG 4.36Å; L267-M269 HydrophobicContact CD2-CG 3.94Å; L267-M269 HydrophobicContact CD2-SD 3.85Å; L267-M269 HydrophobicContact CG-CG 3.97Å; L267-F278 WeakPolarHBondContact O-CA 3.33Å; L267-F279 HydrophobicContact CB-CB 4.33Å; L267-F279 HydrophobicContact CD2-CD2 4.27Å; L267-F279 PolarHBondContact N-O 2.96Å; L267-F279 PolarHBondContact O-N 3.05Å; L267-L315 HydrophobicContact CD1-CD2 4.15Å; L267-L317 HydrophobicContact CD2-CD1 3.67Å; L267-L317 HydrophobicContact CD2-CD2 3.8Å; L267-L317 HydrophobicContact CD2-CG 4.41Å; L267-F400 HydrophobicContact CB-CE2 4.13Å; L267-F400 HydrophobicContact CB-CZ 3.93Å; L267-F400 HydrophobicContact CD2-CE2 3.6Å; L267-F400 HydrophobicContact CD2-CZ 4.12Å
268	R	97.9	Very high	95.6	Very high	29 Å²	29	43.6 Å²	43.6	11%	0.109	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.4	168.7	171.5	-174.2	174.8	164.8	9.8	109.5	W255 N270 T276 V277 F278 L306	W255-R268 HydrophobicContact CB-CB 3.96Å; W255-R268 HydrophobicContact CB-CG 4.39Å; W255-R268 PolarHBondContact O-N 2.88Å; R268-N270 PolarHBondContact NE-OD1 3.1Å; R268-N270 PolarHBondContact NH2-OD1 3.11Å; R268-T276 HydrophobicContact CG-CG2 3.45Å; R268-T276 VanDerWaalsContact CG-CG2 3.45Å; R268-T276 PolarHBondContact NH2-OG1 3.37Å; R268-V277 WeakPolarHBondContact CA-O 3.36Å; R268-F278 HydrophobicContact CB-CD1 4.12Å; R268-F278 HydrophobicContact CB-CE1 4.1Å; R268-F278 HydrophobicContact CG-CD1 4.46Å; R268-F278 HydrophobicContact CG-CE1 4.11Å; R268-L306 HydrophobicContact CB-CB 4.31Å; R268-L306 HydrophobicContact CB-CD1 3.89Å
269	M	95.9	Very high	95.6	Very high	10 Å²	10	38.7 Å²	38.7	5%	0.049	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	136.4	171.1	-65	-174.7	66.4	0	0	109.6	W220 F224 L267 T276 V277 F279 L317	W220-M269 HydrophobicContact CD2-CE 4.18Å; W220-M269 HydrophobicContact CE3-CB 4.3Å; W220-M269 HydrophobicContact CE3-CE 4.09Å; W220-M269 HydrophobicContact CZ3-CB 3.92Å; W220-M269 HydrophobicContact CZ3-CE 4.34Å; F224-M269 HydrophobicContact CE2-CE 3.81Å; F224-M269 HydrophobicContact CZ-CE 3.9Å; L267-M269 HydrophobicContact CD1-CG 4.36Å; L267-M269 HydrophobicContact CD2-CG 3.94Å; L267-M269 HydrophobicContact CD2-SD 3.85Å; L267-M269 HydrophobicContact CG-CG 3.97Å; M269-T276 WeakPolarHBondContact O-CG2 3.47Å; M269-V277 PolarHBondContact N-O 2.86Å; M269-V277 PolarHBondContact O-N 3.22Å; M269-F279 HydrophobicContact CB-CE2 4.36Å; M269-F279 HydrophobicContact CG-CD2 4.36Å; M269-F279 HydrophobicContact CG-CE2 4.29Å; M269-F279 HydrophobicContact SD-CD2 4.16Å; M269-F279 HydrophobicContact SD-CE2 3.83Å; M269-L317 HydrophobicContact CE-CD2 4.47Å; M269-L317 HydrophobicContact SD-CD2 4.04Å
270	N	95.2	Very high	95.7	Very high	33 Å²	33	37.8 Å²	37.8	18%	0.176	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	146.9	177.8	-60.2	-26	0	0	0	110.1	E221 R268 T276	E221-N270 HydrophobicContact CB-CB 4.1Å; E221-N270 WeakPolarHBondContact CB-O 3.4Å; E221-N270 PolarHBondContact N-O 3.3Å; E221-N270 WeakPolarHBondContact OE2-CB 3.21Å; E221-N270 PolarHBondContact OE2-ND2 2.84Å; R268-N270 PolarHBondContact NE-OD1 3.1Å; R268-N270 PolarHBondContact NH2-OD1 3.11Å; N270-T276 PolarHBondContact OD1-OG1 3.34Å
271	Y	93.4	Very high	95.9	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.02	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-87.8	168.6	160.8	-65.1	-67	0	0	0	110.3	F216 A218 L219 W220 A275 V277 T376 I408	F216-Y271 HydrophobicContact CE1-CD2 4.5Å; F216-Y271 AromaticContact CE1-CE2 3.82Å; F216-Y271 HydrophobicContact CE1-CE2 3.82Å; F216-Y271 AromaticContact CZ-CD2 3.95Å; F216-Y271 HydrophobicContact CZ-CD2 3.95Å; F216-Y271 AromaticContact CZ-CE2 3.64Å; F216-Y271 HydrophobicContact CZ-CE2 3.64Å; A218-Y271 HydrophobicContact CB-CD1 3.39Å; A218-Y271 HydrophobicContact CB-CD2 3.83Å; A218-Y271 HydrophobicContact CB-CE1 3.79Å; A218-Y271 HydrophobicContact CB-CE2 4.15Å; A218-Y271 HydrophobicContact CB-CG 3.43Å; A218-Y271 VanDerWaalsContact CB-CG 3.43Å; L219-Y271 CarbonylContact O-C 3.58Å; L219-Y271 WeakPolarHBondContact O-CA 3.15Å; L219-Y271 WeakPolarHBondContact O-CB 3.33Å; L219-Y271 WeakPolarHBondContact O-CD1 3.43Å; W220-Y271 HydrophobicContact CD2-CD1 4.16Å; W220-Y271 AromaticContact CD2-CE1 3.84Å; W220-Y271 HydrophobicContact CD2-CE1 3.84Å; W220-Y271 AromaticContact CE3-CD1 3.53Å; W220-Y271 HydrophobicContact CE3-CD1 3.53Å; W220-Y271 AromaticContact CE3-CE1 3.32Å; W220-Y271 HydrophobicContact CE3-CE1 3.32Å; W220-Y271 HydrophobicContact CE3-CG 4.41Å; W220-Y271 HydrophobicContact CH2-CD1 4.45Å; W220-Y271 AromaticContact CH2-CE1 3.46Å; W220-Y271 HydrophobicContact CH2-CE1 3.46Å; W220-Y271 VanDerWaalsContact CH2-CE1 3.46Å; W220-Y271 AromaticContact CH2-CZ 3.52Å; W220-Y271 WeakPolarHBondContact CH2-OH 3.5Å; W220-Y271 AromaticContact CZ2-CE1 3.95Å; W220-Y271 HydrophobicContact CZ2-CE1 3.95Å; W220-Y271 AromaticContact CZ3-CD1 3.71Å; W220-Y271 HydrophobicContact CZ3-CD1 3.71Å; W220-Y271 AromaticContact CZ3-CE1 3.12Å; W220-Y271 HydrophobicContact CZ3-CE1 3.12Å; W220-Y271 HydrophobicContact CZ3-CE2 4.19Å; W220-Y271 HydrophobicContact CZ3-CG 4.42Å; W220-Y271 AromaticContact CZ3-CZ 3.39Å; Y271-A275 HydrophobicContact CD2-CB 3.79Å; Y271-A275 PolarHBondContact N-O 3.23Å; Y271-V277 HydrophobicContact CD2-CG2 4.04Å; Y271-V277 HydrophobicContact CE2-CG2 3.11Å; Y271-V277 VanDerWaalsContact CZ-CG2 3.44Å; Y271-V277 VanDerWaalsContact OH-CG2 3.25Å; Y271-V277 WeakPolarHBondContact OH-CG2 3.47Å; Y271-T376 HydrophobicContact CE1-CG2 3.76Å; Y271-T376 WeakPolarHBondContact OH-CG2 3.18Å; Y271-I408 HydrophobicContact CE2-CG2 4.34Å
272	K	91	Very high	96.1	Very high	92 Å²	92	18.5 Å²	18.5	40%	0.4	10%	0.104	S	C	.	.	S	Bend	trans	-68.7	128.5	160.2	-60.1	-174.8	-178.7	178.6	0	108.1	H134 L136 L219	H134-K272 WeakPolarHBondContact O-CB 3.46Å; L136-K272 WeakPolarHBondContact CB-O 3.27Å; L219-K272 HydrophobicContact CB-CD 4.1Å; L219-K272 HydrophobicContact CB-CG 4.32Å; L219-K272 PolarHBondContact O-N 3.24Å
273	G	89.5	Confident	96.1	Very high	39 Å²	39	20.7 Å²	20.7	40%	0.402	12%	0.116	S	C	.	.	S	Bend	trans	93.4	-170.8	-172.2	0	0	0	0	0	113.2	A275	G273-A275 PolarHBondContact O-N 3.49Å
274	D	89.8	Confident	95.9	Very high	96 Å²	96	26.8 Å²	26.8	51%	0.513	14%	0.142	S	C	.	.	S	Bend	trans	-85.7	45.4	-168.6	-62.1	-38.3	0	0	0	113.9	S410 T411	D274-S410 WeakPolarHBondContact O-CA 3.03Å; D274-T411 VanDerWaalsContact C-OG1 3.27Å; D274-T411 WeakPolarHBondContact CA-OG1 3.47Å; D274-T411 PolarHBondContact O-N 3.45Å; D274-T411 PolarHBondContact O-OG1 3.35Å
275	A	92.8	Very high	95.7	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	140.6	178	0	0	0	0	0	111.9	L136 F216 Y271 G273 F409	L136-A275 HydrophobicContact CD1-CB 4.01Å; L136-A275 HydrophobicContact CD2-CB 3.76Å; F216-A275 HydrophobicContact CE2-CB 4.44Å; F216-A275 HydrophobicContact CZ-CB 4.39Å; Y271-A275 HydrophobicContact CD2-CB 3.79Å; Y271-A275 PolarHBondContact N-O 3.23Å; G273-A275 PolarHBondContact O-N 3.49Å; A275-F409 WeakPolarHBondContact CA-O 3.42Å
276	T	95.1	Very high	95.6	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.025	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	148.4	-179.9	-65.5	0	0	0	0	109.3	R268 M269 N270 F278 F409	R268-T276 HydrophobicContact CG-CG2 3.45Å; R268-T276 VanDerWaalsContact CG-CG2 3.45Å; R268-T276 PolarHBondContact NH2-OG1 3.37Å; M269-T276 WeakPolarHBondContact O-CG2 3.47Å; N270-T276 PolarHBondContact OD1-OG1 3.34Å; T276-F278 HydrophobicContact CG2-CE2 4.25Å; T276-F278 HydrophobicContact CG2-CZ 4.24Å; T276-F409 PolarHBondContact N-O 3.33Å; T276-F409 PolarHBondContact O-N 3.46Å
277	V	96.9	Very high	95.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.7	172.3	-166.9	0	0	0	0	110.4	W220 R268 M269 Y271 F279 V406 V407 I408	W220-V277 HydrophobicContact CH2-CG2 4.24Å; W220-V277 HydrophobicContact CZ3-CG2 4.14Å; R268-V277 WeakPolarHBondContact CA-O 3.36Å; M269-V277 PolarHBondContact N-O 2.86Å; M269-V277 PolarHBondContact O-N 3.22Å; Y271-V277 HydrophobicContact CD2-CG2 4.04Å; Y271-V277 HydrophobicContact CE2-CG2 3.11Å; Y271-V277 VanDerWaalsContact CZ-CG2 3.44Å; Y271-V277 VanDerWaalsContact OH-CG2 3.25Å; Y271-V277 WeakPolarHBondContact OH-CG2 3.47Å; V277-F279 HydrophobicContact CB-CD2 4.5Å; V277-F279 HydrophobicContact CB-CE2 3.97Å; V277-F279 HydrophobicContact CB-CZ 4.1Å; V277-F279 HydrophobicContact CG1-CD1 4.09Å; V277-F279 HydrophobicContact CG1-CD2 4.12Å; V277-F279 HydrophobicContact CG1-CE1 3.65Å; V277-F279 HydrophobicContact CG1-CE2 3.72Å; V277-F279 HydrophobicContact CG1-CG 4.3Å; V277-F279 HydrophobicContact CG1-CZ 3.47Å; V277-F279 VanDerWaalsContact CG1-CZ 3.47Å; V277-V406 HydrophobicContact CG1-CG1 3.76Å; V277-V407 CarbonylContact C-O 3.52Å; V277-V407 WeakPolarHBondContact CA-O 3.31Å; V277-I408 HydrophobicContact CG1-CG1 4.13Å; V277-I408 HydrophobicContact CG2-CG1 3.97Å; V277-I408 HydrophobicContact CG2-CG2 4.39Å
278	F	98.2	Very high	95.3	Very high	1 Å²	1	43.2 Å²	43.2	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.9	164.8	-57.9	-86.3	0	0	0	108.8	V266 L267 R268 T276 I280 L299 N303 L306 V407 F409	V266-F278 HydrophobicContact CG1-CD1 4.27Å; L267-F278 WeakPolarHBondContact O-CA 3.33Å; R268-F278 HydrophobicContact CB-CD1 4.12Å; R268-F278 HydrophobicContact CB-CE1 4.1Å; R268-F278 HydrophobicContact CG-CD1 4.46Å; R268-F278 HydrophobicContact CG-CE1 4.11Å; T276-F278 HydrophobicContact CG2-CE2 4.25Å; T276-F278 HydrophobicContact CG2-CZ 4.24Å; F278-I280 HydrophobicContact CB-CD1 4.16Å; F278-L299 HydrophobicContact CD2-CD1 3.71Å; F278-L299 HydrophobicContact CE2-CD1 4.06Å; F278-L299 HydrophobicContact CG-CD1 4.1Å; F278-N303 HydrophobicContact CE1-CB 4.43Å; F278-N303 HydrophobicContact CZ-CB 3.91Å; F278-L306 HydrophobicContact CD1-CD1 3.96Å; F278-L306 HydrophobicContact CE1-CD1 3.96Å; F278-V407 HydrophobicContact CB-CB 4.25Å; F278-V407 PolarHBondContact N-O 2.84Å; F278-V407 PolarHBondContact O-N 2.85Å; F278-F409 HydrophobicContact CD2-CB 4.34Å; F278-F409 HydrophobicContact CE2-CB 3.99Å; F278-F409 HydrophobicContact CE2-CD1 4.5Å; F278-F409 HydrophobicContact CE2-CG 4.34Å
279	F	98.4	Very high	95.3	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	113.6	169.4	-62.7	-70	0	0	0	108.3	W220 L267 M269 V277 F319 F400 F404 L405 V406	W220-F279 HydrophobicContact CH2-CE2 4.16Å; W220-F279 HydrophobicContact CH2-CZ 4.09Å; L267-F279 HydrophobicContact CB-CB 4.33Å; L267-F279 HydrophobicContact CD2-CD2 4.27Å; L267-F279 PolarHBondContact N-O 2.96Å; L267-F279 PolarHBondContact O-N 3.05Å; M269-F279 HydrophobicContact CB-CE2 4.36Å; M269-F279 HydrophobicContact CG-CD2 4.36Å; M269-F279 HydrophobicContact CG-CE2 4.29Å; M269-F279 HydrophobicContact SD-CD2 4.16Å; M269-F279 HydrophobicContact SD-CE2 3.83Å; V277-F279 HydrophobicContact CB-CD2 4.5Å; V277-F279 HydrophobicContact CB-CE2 3.97Å; V277-F279 HydrophobicContact CB-CZ 4.1Å; V277-F279 HydrophobicContact CG1-CD1 4.09Å; V277-F279 HydrophobicContact CG1-CD2 4.12Å; V277-F279 HydrophobicContact CG1-CE1 3.65Å; V277-F279 HydrophobicContact CG1-CE2 3.72Å; V277-F279 HydrophobicContact CG1-CG 4.3Å; V277-F279 HydrophobicContact CG1-CZ 3.47Å; V277-F279 VanDerWaalsContact CG1-CZ 3.47Å; F279-F319 HydrophobicContact CB-CE2 4.33Å; F279-F319 AromaticContact CD1-CE2 3.86Å; F279-F319 HydrophobicContact CD1-CE2 3.86Å; F279-F319 AromaticContact CD1-CZ 3.59Å; F279-F319 HydrophobicContact CD1-CZ 3.59Å; F279-F319 AromaticContact CD2-CE2 3.83Å; F279-F319 HydrophobicContact CD2-CE2 3.83Å; F279-F319 HydrophobicContact CD2-CZ 4.02Å; F279-F319 HydrophobicContact CE1-CE1 4.23Å; F279-F319 HydrophobicContact CE1-CE2 4.06Å; F279-F319 AromaticContact CE1-CZ 3.35Å; F279-F319 HydrophobicContact CE1-CZ 3.35Å; F279-F319 HydrophobicContact CE2-CE1 4.48Å; F279-F319 HydrophobicContact CE2-CE2 4Å; F279-F319 AromaticContact CE2-CZ 3.79Å; F279-F319 HydrophobicContact CE2-CZ 3.79Å; F279-F319 AromaticContact CG-CE2 3.75Å; F279-F319 HydrophobicContact CG-CE2 3.75Å; F279-F319 AromaticContact CG-CZ 3.92Å; F279-F319 HydrophobicContact CG-CZ 3.92Å; F279-F319 HydrophobicContact CZ-CE1 4.04Å; F279-F319 HydrophobicContact CZ-CE2 4.11Å; F279-F319 AromaticContact CZ-CZ 3.43Å; F279-F319 HydrophobicContact CZ-CZ 3.43Å; F279-F319 VanDerWaalsContact CZ-CZ 3.43Å; F279-F400 HydrophobicContact CB-CE1 3.5Å; F279-F400 HydrophobicContact CB-CE2 4.31Å; F279-F400 HydrophobicContact CB-CZ 3.38Å; F279-F400 HydrophobicContact CG-CE1 4.49Å; F279-F400 HydrophobicContact CG-CZ 4.39Å; F279-F404 HydrophobicContact CD1-CD2 4.12Å; F279-F404 AromaticContact CD1-CE2 3.88Å; F279-F404 HydrophobicContact CD1-CE2 3.88Å; F279-F404 HydrophobicContact CE1-CE2 4.26Å; F279-L405 WeakPolarHBondContact CA-O 3.45Å; F279-V406 HydrophobicContact CD1-CB 4.48Å; F279-V406 HydrophobicContact CD1-CG1 4.27Å; F279-V406 HydrophobicContact CD1-CG2 3.9Å; F279-V406 HydrophobicContact CE1-CB 4.44Å; F279-V406 HydrophobicContact CE1-CG1 3.86Å; F279-V406 HydrophobicContact CE1-CG2 3.9Å
280	I	98.7	Very high	95.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	116.1	-179.8	-52.6	89.8	0	0	0	107.3	C264 V266 F278 P282 I290 W302 F404 L405 V407	C264-I280 HydrophobicContact CB-CG2 4.03Å; V266-I280 HydrophobicContact CG1-CG1 4.27Å; V266-I280 HydrophobicContact CG2-CG1 4.25Å; V266-I280 HydrophobicContact CG2-CG2 4.24Å; F278-I280 HydrophobicContact CB-CD1 4.16Å; I280-P282 VanDerWaalsContact O-CD 3.32Å; I280-P282 WeakPolarHBondContact O-CD 3.42Å; I280-I290 HydrophobicContact CG2-CG2 4Å; I280-W302 HydrophobicContact CD1-CZ3 4.43Å; I280-W302 HydrophobicContact CG1-CE3 4.32Å; I280-W302 HydrophobicContact CG1-CH2 4.28Å; I280-W302 HydrophobicContact CG1-CZ3 3.89Å; I280-W302 HydrophobicContact CG2-CH2 4.28Å; I280-F404 WeakPolarHBondContact O-CA 3.4Å; I280-F404 WeakPolarHBondContact O-CB 3.4Å; I280-L405 HydrophobicContact CB-CB 4.09Å; I280-L405 HydrophobicContact CB-CD1 4.42Å; I280-L405 HydrophobicContact CD1-CB 4.07Å; I280-L405 PolarHBondContact N-O 3.28Å; I280-L405 PolarHBondContact O-N 3.09Å; I280-V407 HydrophobicContact CD1-CG2 3.76Å
281	L	98.6	Very high	95.4	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	99.3	178.8	-177.7	63.8	0	0	0	109	C264 S265 L398 R399 F400 R402 F404	C264-L281 WeakPolarHBondContact CA-O 3.43Å; S265-L281 PolarHBondContact N-O 2.87Å; S265-L281 PolarHBondContact O-N 3.33Å; L281-L398 HydrophobicContact CD2-CD2 4.09Å; L281-L398 HydrophobicContact CD2-CG 4.31Å; L281-R399 VanDerWaalsContact CD2-O 3.31Å; L281-R399 WeakPolarHBondContact CD2-O 3.2Å; L281-F400 HydrophobicContact CB-CD1 4.16Å; L281-F400 HydrophobicContact CB-CE1 3.65Å; L281-F400 HydrophobicContact CB-CZ 4.17Å; L281-F400 HydrophobicContact CD1-CD1 4.06Å; L281-F400 HydrophobicContact CD1-CE1 4.41Å; L281-F400 HydrophobicContact CD2-CD1 4.47Å; L281-F400 HydrophobicContact CG-CD1 4.45Å; L281-F400 HydrophobicContact CG-CE1 4.41Å; L281-R402 HydrophobicContact CD1-CG 3.78Å; L281-F404 HydrophobicContact CD1-CB 4.09Å
282	P	98.3	Very high	95.5	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.013	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	153.2	172.5	-21.2	33.8	0	0	0	111.3	I280 K286 M287 I290 R402	I280-P282 VanDerWaalsContact O-CD 3.32Å; I280-P282 WeakPolarHBondContact O-CD 3.42Å; P282-K286 HydrophobicContact CB-CB 4.43Å; P282-M287 HydrophobicContact CG-CE 3.87Å; P282-M287 HydrophobicContact CG-SD 3.87Å; P282-I290 HydrophobicContact CB-CG1 3.89Å; P282-I290 HydrophobicContact CG-CB 4.29Å; P282-I290 HydrophobicContact CG-CG1 4.05Å; P282-R402 VanDerWaalsContact O-CZ 3.26Å; P282-R402 PolarHBondContact O-NE 3.22Å; P282-R402 PolarHBondContact O-NH2 3.35Å
283	N	97.3	Very high	95.7	Very high	76 Å²	76	48.2 Å²	48.2	41%	0.406	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-63	162.1	164.2	-66.8	-3.2	0	0	0	109.6	P263 G285 K286	P263-N283 HydrophobicContact CB-CB 4.17Å; P263-N283 WeakPolarHBondContact O-CB 3.47Å; P263-N283 VanDerWaalsContact O-CG 3.27Å; P263-N283 PolarHBondContact O-N 2.98Å; P263-N283 PolarHBondContact O-OD1 3.32Å; N283-G285 PolarHBondContact O-N 2.88Å; N283-K286 HydrophobicContact CB-CB 4.26Å; N283-K286 HydrophobicContact CB-CG 3.91Å; N283-K286 WeakPolarHBondContact O-CB 3.36Å; N283-K286 PolarHBondContact O-N 2.78Å
284	E	93.9	Very high	96	Very high	158 Å²	158	46.8 Å²	46.8	74%	0.738	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	131	-179.2	-169	168.7	-166.8	0	0	111.7	K286	E284-K286 WeakPolarHBondContact O-CG 3.36Å; E284-K286 PolarHBondContact O-N 2.79Å
285	G	93	Very high	96.3	Very high	73 Å²	73	44.7 Å²	44.7	75%	0.753	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.7	0.7	-175.7	0	0	0	0	0	116	N283	N283-G285 PolarHBondContact O-N 2.88Å
286	K	97	Very high	96.4	Very high	73 Å²	73	45.7 Å²	45.7	32%	0.317	24%	0.237	S	C	.	.			trans	-102.3	11.4	-171.6	-57.5	-58	-168.7	168.8	0	115.6	P263 P282 N283 E284 R288 E289 I290	P263-K286 HydrophobicContact CB-CB 4.17Å; P263-K286 HydrophobicContact CB-CG 3.92Å; P263-K286 HydrophobicContact CG-CB 3.81Å; P263-K286 HydrophobicContact CG-CD 4.26Å; P263-K286 HydrophobicContact CG-CG 3.92Å; P282-K286 HydrophobicContact CB-CB 4.43Å; N283-K286 HydrophobicContact CB-CB 4.26Å; N283-K286 HydrophobicContact CB-CG 3.91Å; N283-K286 WeakPolarHBondContact O-CB 3.36Å; N283-K286 PolarHBondContact O-N 2.78Å; E284-K286 WeakPolarHBondContact O-CG 3.36Å; E284-K286 PolarHBondContact O-N 2.79Å; K286-R288 PolarHBondContact O-N 2.97Å; K286-E289 VanDerWaalsContact CD-CD 3.46Å; K286-E289 WeakPolarHBondContact CD-OE1 3.25Å; K286-E289 WeakPolarHBondContact CD-OE2 2.9Å; K286-E289 WeakPolarHBondContact CE-OE1 3.3Å; K286-E289 VanDerWaalsContact NZ-CD 3.32Å; K286-E289 IonicContact NZ-OE1 2.6Å; K286-E289 PolarHBondContact NZ-OE1 3.29Å; K286-E289 IonicContact NZ-OE2 3.22Å; K286-E289 PolarHBondContact NZ-OE2 3.03Å; K286-E289 PolarHBondContact O-N 3.28Å; K286-I290 WeakPolarHBondContact O-CG1 3.46Å; K286-I290 PolarHBondContact O-N 2.79Å
287	M	96.6	Very high	96.5	Very high	34 Å²	34	51.7 Å²	51.7	17%	0.167	26%	0.264	C	S	.	.	H	α-helix	trans	-54.3	-53	-178.4	179.4	61.4	72.8	0	0	112.2	P282 E289 I290 E291 P403 L405 K421	P282-M287 HydrophobicContact CG-CE 3.87Å; P282-M287 HydrophobicContact CG-SD 3.87Å; M287-E289 VanDerWaalsContact C-N 3.35Å; M287-E289 PolarHBondContact O-N 2.87Å; M287-I290 PolarHBondContact O-N 3.38Å; M287-I290 VanDerWaalsContact O-N 3.1Å; M287-E291 HydrophobicContact CG-CG 4.37Å; M287-E291 WeakPolarHBondContact O-CG 3.41Å; M287-E291 PolarHBondContact O-N 3.17Å; M287-E291 HydrophobicContact SD-CG 4.21Å; M287-P403 VanDerWaalsContact CE-C 3.42Å; M287-P403 HydrophobicContact CE-CB 3.47Å; M287-P403 VanDerWaalsContact CE-CB 3.47Å; M287-P403 WeakPolarHBondContact CE-O 3.28Å; M287-L405 HydrophobicContact SD-CD2 3.81Å; M287-L405 HydrophobicContact SD-CG 4.17Å; M287-K421 HydrophobicContact CE-CD 4.09Å; M287-K421 HydrophobicContact CE-CG 4.29Å; M287-K421 HydrophobicContact CG-CD 4.22Å; M287-K421 HydrophobicContact SD-CD 3.83Å; M287-K421 HydrophobicContact SD-CG 4.48Å
288	R	95.1	Very high	96.4	Very high	178 Å²	178	53.2 Å²	53.2	67%	0.672	27%	0.272	S	S	*	.	H	α-helix	trans	-61.9	-41.1	-177.1	-169.6	-177.3	-64.4	169.7	1	112.6	K286 I290 E291 E292	K286-R288 PolarHBondContact O-N 2.97Å; R288-I290 PolarHBondContact O-N 3.46Å; R288-E291 PolarHBondContact O-N 3.43Å; R288-E291 VanDerWaalsContact O-N 3.09Å; R288-E292 HydrophobicContact CG-CG 4.45Å; R288-E292 WeakPolarHBondContact O-CG 3.44Å; R288-E292 PolarHBondContact O-N 3.11Å
289	E	96.3	Very high	96.3	Very high	83 Å²	83	53.3 Å²	53.3	39%	0.388	27%	0.273	S	S	.	.	H	α-helix	trans	-59.8	-34.4	176.9	-69.3	177	-143.5	0	0	112	K286 M287 V293	K286-E289 VanDerWaalsContact CD-CD 3.46Å; K286-E289 WeakPolarHBondContact CD-OE1 3.25Å; K286-E289 WeakPolarHBondContact CD-OE2 2.9Å; K286-E289 WeakPolarHBondContact CE-OE1 3.3Å; K286-E289 VanDerWaalsContact NZ-CD 3.32Å; K286-E289 IonicContact NZ-OE1 2.6Å; K286-E289 PolarHBondContact NZ-OE1 3.29Å; K286-E289 IonicContact NZ-OE2 3.22Å; K286-E289 PolarHBondContact NZ-OE2 3.03Å; K286-E289 PolarHBondContact O-N 3.28Å; M287-E289 VanDerWaalsContact C-N 3.35Å; M287-E289 PolarHBondContact O-N 2.87Å; E289-V293 WeakPolarHBondContact O-CG2 3.44Å
290	I	97.5	Very high	96.1	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-75.3	-39.5	174.5	-60.1	-55	0	0	0	111.4	L262 P263 C264 I280 P282 K286 M287 R288 E292 V293 L294 L405	L262-I290 HydrophobicContact CB-CD1 3.91Å; P263-I290 HydrophobicContact CG-CD1 4.08Å; C264-I290 HydrophobicContact CB-CD1 3.65Å; C264-I290 HydrophobicContact CB-CG1 3.97Å; I280-I290 HydrophobicContact CG2-CG2 4Å; P282-I290 HydrophobicContact CB-CG1 3.89Å; P282-I290 HydrophobicContact CG-CB 4.29Å; P282-I290 HydrophobicContact CG-CG1 4.05Å; K286-I290 WeakPolarHBondContact O-CG1 3.46Å; K286-I290 PolarHBondContact O-N 2.79Å; M287-I290 PolarHBondContact O-N 3.38Å; M287-I290 VanDerWaalsContact O-N 3.1Å; R288-I290 PolarHBondContact O-N 3.46Å; I290-E292 VanDerWaalsContact C-N 3.33Å; I290-E292 PolarHBondContact O-N 2.88Å; I290-V293 WeakPolarHBondContact O-CG2 3.45Å; I290-V293 PolarHBondContact O-N 3.25Å; I290-L294 WeakPolarHBondContact O-CB 3.39Å; I290-L294 PolarHBondContact O-N 2.88Å; I290-L294 VanDerWaalsContact O-N 3.14Å; I290-L405 HydrophobicContact CG2-CD1 3.92Å
291	E	96.7	Very high	96	Very high	22 Å²	22	60.2 Å²	60.2	10%	0.103	30%	0.303	C	S	.	.	H	α-helix	trans	-63.8	-35.8	178.3	-67.3	179.7	130.2	0	0	112.7	Y64 M287 R288 V293 L294 K421	Y64-E291 HydrophobicContact CE1-CB 4.39Å; Y64-E291 HydrophobicContact CE1-CG 3.96Å; Y64-E291 PolarHBondContact OH-OE1 3.19Å; M287-E291 HydrophobicContact CG-CG 4.37Å; M287-E291 WeakPolarHBondContact O-CG 3.41Å; M287-E291 PolarHBondContact O-N 3.17Å; M287-E291 HydrophobicContact SD-CG 4.21Å; R288-E291 PolarHBondContact O-N 3.43Å; R288-E291 VanDerWaalsContact O-N 3.09Å; E291-V293 VanDerWaalsContact C-N 3.26Å; E291-V293 PolarHBondContact O-N 3.38Å; E291-L294 PolarHBondContact O-N 2.88Å; E291-K421 WeakPolarHBondContact OE1-CD 3.07Å; E291-K421 WeakPolarHBondContact OE1-CE 3.4Å; E291-K421 IonicContact OE1-NZ 3.15Å; E291-K421 PolarHBondContact OE1-NZ 2.97Å; E291-K421 IonicContact OE2-NZ 3.54Å
292	E	94.9	Very high	95.9	Very high	118 Å²	118	60 Å²	60	55%	0.551	30%	0.302	S	S	*	.	H	α-helix	trans	-66.8	-25.1	178.5	-74.9	170.9	-172.4	0	0	113.5	R288 I290	R288-E292 HydrophobicContact CG-CG 4.45Å; R288-E292 WeakPolarHBondContact O-CG 3.44Å; R288-E292 PolarHBondContact O-N 3.11Å; I290-E292 VanDerWaalsContact C-N 3.33Å; I290-E292 PolarHBondContact O-N 2.88Å
293	V	95.4	Very high	95.7	Very high	50 Å²	50	60.2 Å²	60.2	30%	0.303	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.8	9.5	-179.8	-56.6	0	0	0	0	112.7	L262 E289 I290 E291 T295	L262-V293 HydrophobicContact CD1-CG2 3.66Å; L262-V293 HydrophobicContact CD2-CG2 3.8Å; L262-V293 HydrophobicContact CG-CG2 4.38Å; E289-V293 WeakPolarHBondContact O-CG2 3.44Å; I290-V293 WeakPolarHBondContact O-CG2 3.45Å; I290-V293 PolarHBondContact O-N 3.25Å; E291-V293 VanDerWaalsContact C-N 3.26Å; E291-V293 PolarHBondContact O-N 3.38Å; V293-T295 PolarHBondContact O-N 3.49Å
294	L	95.3	Very high	95.6	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.052	30%	0.304	C	S	.	.			trans	-80.1	86.2	-179	-170.4	70.5	0	0	0	110.1	F61 Y64 I290 E291 W302 L405	F61-L294 HydrophobicContact CD1-CB 4.47Å; F61-L294 HydrophobicContact CD1-CD2 3.97Å; F61-L294 HydrophobicContact CD1-CG 3.67Å; F61-L294 WeakPolarHBondContact CD1-O 3.31Å; F61-L294 HydrophobicContact CE1-CD1 4.11Å; F61-L294 HydrophobicContact CE1-CD2 3.97Å; F61-L294 HydrophobicContact CE1-CG 3.58Å; F61-L294 WeakPolarHBondContact CG-O 3.37Å; Y64-L294 HydrophobicContact CD1-CD2 4.02Å; Y64-L294 HydrophobicContact CE1-CD2 3.96Å; I290-L294 WeakPolarHBondContact O-CB 3.39Å; I290-L294 PolarHBondContact O-N 2.88Å; I290-L294 VanDerWaalsContact O-N 3.14Å; E291-L294 PolarHBondContact O-N 2.88Å; L294-W302 HydrophobicContact CD1-CH2 3.97Å; L294-W302 HydrophobicContact CD1-CZ3 3.71Å; L294-L405 HydrophobicContact CD1-CD1 4.33Å; L294-L405 HydrophobicContact CD2-CD1 3.94Å
295	T	96.3	Very high	95.7	Very high	51 Å²	51	54.9 Å²	54.9	31%	0.313	28%	0.279	S	S	.	.			trans	-116.9	166	-178.2	79.3	0	0	0	0	112.3	V293 E297 M298 L299	V293-T295 PolarHBondContact O-N 3.49Å; T295-E297 VanDerWaalsContact C-N 3.25Å; T295-E297 WeakPolarHBondContact CB-OE2 3.44Å; T295-E297 PolarHBondContact O-N 3.26Å; T295-E297 PolarHBondContact OG1-N 3.47Å; T295-E297 PolarHBondContact OG1-OE2 3.46Å; T295-M298 WeakPolarHBondContact O-CB 3.27Å; T295-M298 PolarHBondContact O-N 2.96Å; T295-M298 VanDerWaalsContact O-N 3.15Å; T295-M298 PolarHBondContact OG1-N 3.37Å; T295-L299 PolarHBondContact O-N 3.08Å; T295-L299 VanDerWaalsContact O-N 3.07Å
296	P	95.6	Very high	95.8	Very high	22 Å²	22	51.4 Å²	51.4	14%	0.143	24%	0.243	C	C	.	.	H	α-helix	trans	-53.2	-41.6	172.2	-23.7	31.6	0	0	0	113.3	A57 F61 M298 L299 M300	A57-P296 HydrophobicContact CB-CB 3.98Å; A57-P296 HydrophobicContact CB-CG 4.1Å; F61-P296 HydrophobicContact CD2-CB 4.35Å; F61-P296 VanDerWaalsContact CD2-CD 3.48Å; F61-P296 HydrophobicContact CD2-CG 3.66Å; F61-P296 HydrophobicContact CE2-CB 4.28Å; F61-P296 HydrophobicContact CE2-CG 4.08Å; P296-M298 VanDerWaalsContact C-N 3.31Å; P296-M298 PolarHBondContact O-N 3.4Å; P296-L299 PolarHBondContact O-N 2.84Å; P296-M300 WeakPolarHBondContact O-CG 3.47Å; P296-M300 PolarHBondContact O-N 3.5Å
297	E	95.9	Very high	95.6	Very high	129 Å²	129	52.9 Å²	52.9	60%	0.603	25%	0.251	S	S	*	.	H	α-helix	trans	-66.4	-37.2	-179.1	-55.7	70.2	-146.9	0	0	110.8	T295 M300 R301	T295-E297 VanDerWaalsContact C-N 3.25Å; T295-E297 WeakPolarHBondContact CB-OE2 3.44Å; T295-E297 PolarHBondContact O-N 3.26Å; T295-E297 PolarHBondContact OG1-N 3.47Å; T295-E297 PolarHBondContact OG1-OE2 3.46Å; E297-M300 PolarHBondContact O-N 3.04Å; E297-R301 WeakPolarHBondContact O-CB 3.07Å; E297-R301 PolarHBondContact O-N 3.25Å
298	M	96	Very high	95.5	Very high	32 Å²	32	56.9 Å²	56.9	16%	0.158	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-44.5	175.5	-171.1	58.1	63.7	0	0	111.4	L262 T295 P296 M300 R301 W302	L262-M298 HydrophobicContact CD1-CE 3.69Å; L262-M298 HydrophobicContact CD1-CG 4.32Å; L262-M298 HydrophobicContact CD1-SD 3.7Å; T295-M298 WeakPolarHBondContact O-CB 3.27Å; T295-M298 PolarHBondContact O-N 2.96Å; T295-M298 VanDerWaalsContact O-N 3.15Å; T295-M298 PolarHBondContact OG1-N 3.37Å; P296-M298 VanDerWaalsContact C-N 3.31Å; P296-M298 PolarHBondContact O-N 3.4Å; M298-M300 VanDerWaalsContact C-N 3.33Å; M298-M300 PolarHBondContact O-N 2.89Å; M298-R301 WeakPolarHBondContact O-CB 3.31Å; M298-R301 PolarHBondContact O-N 3.02Å; M298-R301 PolarHBondContact SD-NH1 3.16Å; M298-W302 HydrophobicContact CG-CD2 4.04Å; M298-W302 HydrophobicContact CG-CE3 4.06Å; M298-W302 HydrophobicContact CG-CH2 3.5Å; M298-W302 HydrophobicContact CG-CZ2 3.48Å; M298-W302 VanDerWaalsContact CG-CZ2 3.48Å; M298-W302 HydrophobicContact CG-CZ3 3.8Å; M298-W302 PolarHBondContact O-N 2.95Å; M298-W302 HydrophobicContact SD-CD2 4.43Å; M298-W302 HydrophobicContact SD-CH2 4.5Å; M298-W302 HydrophobicContact SD-CZ2 3.87Å
299	L	95.5	Very high	95.4	Very high	4 Å²	4	57.1 Å²	57.1	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-59.3	-45.1	174.5	-179	65.9	0	0	0	111.2	F61 F278 T295 P296 R301 W302 N303 V407 F409 V416	F61-L299 HydrophobicContact CE2-CD2 4.47Å; F61-L299 HydrophobicContact CZ-CB 4.08Å; F61-L299 HydrophobicContact CZ-CD2 4.04Å; F278-L299 HydrophobicContact CD2-CD1 3.71Å; F278-L299 HydrophobicContact CE2-CD1 4.06Å; F278-L299 HydrophobicContact CG-CD1 4.1Å; T295-L299 PolarHBondContact O-N 3.08Å; T295-L299 VanDerWaalsContact O-N 3.07Å; P296-L299 PolarHBondContact O-N 2.84Å; L299-R301 VanDerWaalsContact C-N 3.35Å; L299-R301 PolarHBondContact O-N 3.4Å; L299-W302 PolarHBondContact O-N 3.4Å; L299-N303 WeakPolarHBondContact O-CB 3.43Å; L299-N303 PolarHBondContact O-N 2.91Å; L299-V407 HydrophobicContact CD1-CB 4.36Å; L299-V407 HydrophobicContact CD1-CG1 4.05Å; L299-V407 HydrophobicContact CD1-CG2 4.44Å; L299-V407 HydrophobicContact CD2-CG1 3.9Å; L299-F409 HydrophobicContact CD2-CD2 4.1Å; L299-F409 HydrophobicContact CD2-CE2 4.36Å; L299-V416 HydrophobicContact CD2-CG2 4.01Å
300	M	94.2	Very high	95.2	Very high	72 Å²	72	59.3 Å²	59.3	36%	0.355	28%	0.283	S	S	.	.	H	α-helix	trans	-65.2	-37.6	177.7	-71.5	-56.1	-68.3	0	0	112.4	P296 E297 M298 N303 N304	P296-M300 WeakPolarHBondContact O-CG 3.47Å; P296-M300 PolarHBondContact O-N 3.5Å; E297-M300 PolarHBondContact O-N 3.04Å; M298-M300 VanDerWaalsContact C-N 3.33Å; M298-M300 PolarHBondContact O-N 2.89Å; M300-N303 PolarHBondContact O-N 3.42Å; M300-N304 WeakPolarHBondContact O-CB 3.32Å; M300-N304 PolarHBondContact O-N 3.43Å; M300-N304 PolarHBondContact O-ND2 3.24Å
301	R	96.2	Very high	95.1	Very high	73 Å²	73	61.5 Å²	61.5	28%	0.275	29%	0.292	S	S	.	.	H	α-helix	trans	-59.3	-49.4	172.1	174.2	176.5	164.6	-85.2	-4.7	110.9	D259 E297 M298 L299 N304 L305	D259-R301 IonicContact OD1-CZ 3.79Å; D259-R301 IonicContact OD1-NH1 3.71Å; D259-R301 IonicContact OD1-NH2 2.94Å; D259-R301 PolarHBondContact OD1-NH2 2.95Å; D259-R301 IonicContact OD2-CZ 3.39Å; D259-R301 IonicContact OD2-NH1 2.68Å; D259-R301 PolarHBondContact OD2-NH1 2.9Å; D259-R301 IonicContact OD2-NH2 3.18Å; D259-R301 PolarHBondContact OD2-NH2 3.12Å; E297-R301 WeakPolarHBondContact O-CB 3.07Å; E297-R301 PolarHBondContact O-N 3.25Å; M298-R301 WeakPolarHBondContact O-CB 3.31Å; M298-R301 PolarHBondContact O-N 3.02Å; M298-R301 PolarHBondContact SD-NH1 3.16Å; L299-R301 VanDerWaalsContact C-N 3.35Å; L299-R301 PolarHBondContact O-N 3.4Å; R301-N304 PolarHBondContact O-N 2.96Å; R301-L305 HydrophobicContact CG-CD1 4.04Å; R301-L305 WeakPolarHBondContact O-CB 3.49Å; R301-L305 VanDerWaalsContact O-CG 3.3Å; R301-L305 WeakPolarHBondContact O-CG 3.26Å; R301-L305 PolarHBondContact O-N 3.12Å
302	W	96.6	Very high	95.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-63.4	-42.5	177	-67.8	-37.6	0	0	0	112.3	D259 L262 V266 I280 L294 M298 L299 N304 L305 L306	D259-W302 PolarHBondContact OD2-NE1 2.82Å; L262-W302 HydrophobicContact CD1-CZ2 3.9Å; V266-W302 HydrophobicContact CG1-CB 4.44Å; V266-W302 HydrophobicContact CG1-CG 4.43Å; V266-W302 HydrophobicContact CG2-CD2 3.9Å; V266-W302 HydrophobicContact CG2-CE3 4.49Å; V266-W302 HydrophobicContact CG2-CG 4.06Å; V266-W302 HydrophobicContact CG2-CZ2 4.22Å; I280-W302 HydrophobicContact CD1-CZ3 4.43Å; I280-W302 HydrophobicContact CG1-CE3 4.32Å; I280-W302 HydrophobicContact CG1-CH2 4.28Å; I280-W302 HydrophobicContact CG1-CZ3 3.89Å; I280-W302 HydrophobicContact CG2-CH2 4.28Å; L294-W302 HydrophobicContact CD1-CH2 3.97Å; L294-W302 HydrophobicContact CD1-CZ3 3.71Å; M298-W302 HydrophobicContact CG-CD2 4.04Å; M298-W302 HydrophobicContact CG-CE3 4.06Å; M298-W302 HydrophobicContact CG-CH2 3.5Å; M298-W302 HydrophobicContact CG-CZ2 3.48Å; M298-W302 VanDerWaalsContact CG-CZ2 3.48Å; M298-W302 HydrophobicContact CG-CZ3 3.8Å; M298-W302 PolarHBondContact O-N 2.95Å; M298-W302 HydrophobicContact SD-CD2 4.43Å; M298-W302 HydrophobicContact SD-CH2 4.5Å; M298-W302 HydrophobicContact SD-CZ2 3.87Å; L299-W302 PolarHBondContact O-N 3.4Å; W302-N304 PolarHBondContact O-N 3.24Å; W302-L305 PolarHBondContact O-N 3.32Å; W302-L306 HydrophobicContact CB-CD1 4.42Å; W302-L306 VanDerWaalsContact O-CB 3.28Å; W302-L306 WeakPolarHBondContact O-CB 3.26Å; W302-L306 VanDerWaalsContact O-CG 3.29Å; W302-L306 WeakPolarHBondContact O-CG 3.5Å; W302-L306 PolarHBondContact O-N 2.64Å
303	N	94.9	Very high	95.1	Very high	6 Å²	6	62.5 Å²	62.5	3%	0.032	29%	0.293	C	S	.	.	H	α-helix	trans	-56.2	-49.9	175.4	-178	29.4	0	0	0	111.2	F278 L299 M300 L305 L306 Q307	F278-N303 HydrophobicContact CE1-CB 4.43Å; F278-N303 HydrophobicContact CZ-CB 3.91Å; L299-N303 WeakPolarHBondContact O-CB 3.43Å; L299-N303 PolarHBondContact O-N 2.91Å; M300-N303 PolarHBondContact O-N 3.42Å; N303-L305 PolarHBondContact O-N 3.36Å; N303-L306 PolarHBondContact O-N 3.39Å; N303-Q307 VanDerWaalsContact O-CG 3.3Å; N303-Q307 WeakPolarHBondContact O-CG 3.34Å; N303-Q307 PolarHBondContact O-N 3.4Å; N303-Q307 PolarHBondContact OD1-NE2 3.27Å
304	N	94.7	Very high	95	Very high	84 Å²	84	63.3 Å²	63.3	45%	0.449	29%	0.292	S	S	.	.	H	α-helix	trans	-65.1	-37.8	179.7	-70.4	-24.5	0	0	0	112.9	M300 R301 W302	M300-N304 WeakPolarHBondContact O-CB 3.32Å; M300-N304 PolarHBondContact O-N 3.43Å; M300-N304 PolarHBondContact O-ND2 3.24Å; R301-N304 PolarHBondContact O-N 2.96Å; W302-N304 PolarHBondContact O-N 3.24Å
305	L	96.3	Very high	95	Very high	38 Å²	38	62.8 Å²	62.8	20%	0.199	29%	0.29	C	S	.	.	H	α-helix	trans	-67.2	-48.1	175.8	-72.1	172.6	0	0	0	111	L257 R301 W302 N303 Q307 K308 F311	L257-L305 HydrophobicContact CD2-CB 3.7Å; L257-L305 HydrophobicContact CD2-CD1 4.08Å; R301-L305 HydrophobicContact CG-CD1 4.04Å; R301-L305 WeakPolarHBondContact O-CB 3.49Å; R301-L305 VanDerWaalsContact O-CG 3.3Å; R301-L305 WeakPolarHBondContact O-CG 3.26Å; R301-L305 PolarHBondContact O-N 3.12Å; W302-L305 PolarHBondContact O-N 3.32Å; N303-L305 PolarHBondContact O-N 3.36Å; L305-Q307 PolarHBondContact O-N 3.07Å; L305-Q307 VanDerWaalsContact O-N 3.13Å; L305-K308 WeakPolarHBondContact O-CB 3.39Å; L305-K308 PolarHBondContact O-N 2.85Å; L305-F311 HydrophobicContact CB-CE2 4.25Å; L305-F311 HydrophobicContact CD2-CE2 4.26Å; L305-F311 WeakPolarHBondContact O-CD2 3.42Å
306	L	95.9	Very high	95	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-0.6	-177.2	-68.3	166.2	0	0	0	113.8	W255 L257 V266 R268 F278 W302 N303 F311	W255-L306 HydrophobicContact CB-CD2 4.44Å; L257-L306 HydrophobicContact CB-CD2 4.19Å; L257-L306 HydrophobicContact CD2-CD1 4.32Å; L257-L306 HydrophobicContact CD2-CD2 3.76Å; L257-L306 HydrophobicContact CD2-CG 3.71Å; L257-L306 HydrophobicContact CG-CD2 3.87Å; L257-L306 HydrophobicContact CG-CG 4.25Å; V266-L306 HydrophobicContact CB-CD1 4.22Å; V266-L306 HydrophobicContact CG1-CD1 3.62Å; R268-L306 HydrophobicContact CB-CB 4.31Å; R268-L306 HydrophobicContact CB-CD1 3.89Å; F278-L306 HydrophobicContact CD1-CD1 3.96Å; F278-L306 HydrophobicContact CE1-CD1 3.96Å; W302-L306 HydrophobicContact CB-CD1 4.42Å; W302-L306 VanDerWaalsContact O-CB 3.28Å; W302-L306 WeakPolarHBondContact O-CB 3.26Å; W302-L306 VanDerWaalsContact O-CG 3.29Å; W302-L306 WeakPolarHBondContact O-CG 3.5Å; W302-L306 PolarHBondContact O-N 2.64Å; N303-L306 PolarHBondContact O-N 3.39Å; L306-F311 HydrophobicContact CD2-CB 4.31Å
307	Q	91.8	Very high	95.1	Very high	105 Å²	105	61.6 Å²	61.6	49%	0.491	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-16.3	166.8	-73.4	174.3	21.5	0	0	112.9	N303 L305	N303-Q307 VanDerWaalsContact O-CG 3.3Å; N303-Q307 WeakPolarHBondContact O-CG 3.34Å; N303-Q307 PolarHBondContact O-N 3.4Å; N303-Q307 PolarHBondContact OD1-NE2 3.27Å; L305-Q307 PolarHBondContact O-N 3.07Å; L305-Q307 VanDerWaalsContact O-N 3.13Å
308	K	94.3	Very high	95.3	Very high	117 Å²	117	56.6 Å²	56.6	51%	0.509	26%	0.256	S	S	.	.	S	Bend	trans	-78.9	132	-179	-58.1	-180	-177.6	-176.5	0	110.3	L305 N310 F311	L305-K308 WeakPolarHBondContact O-CB 3.39Å; L305-K308 PolarHBondContact O-N 2.85Å; K308-N310 PolarHBondContact O-N 3.42Å; K308-F311 HydrophobicContact CB-CD2 4.12Å; K308-F311 HydrophobicContact CB-CE2 4.47Å; K308-F311 PolarHBondContact O-N 2.57Å
309	R	92.6	Very high	95.3	Very high	184 Å²	184	55.1 Å²	55.1	69%	0.694	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-51.9	-28.9	-179.3	-70.7	-67.9	-173.4	177.1	1.1	113.8	F311 Y312	R309-F311 PolarHBondContact O-N 2.69Å; R309-F311 VanDerWaalsContact O-N 3.1Å; R309-Y312 PolarHBondContact O-N 3.31Å
310	N	93.3	Very high	95.4	Very high	128 Å²	128	54.9 Å²	54.9	68%	0.684	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-58.3	-22.3	177.7	-63.1	38.2	0	0	0	113.8	K308 K313	K308-N310 PolarHBondContact O-N 3.42Å; N310-K313 WeakPolarHBondContact O-CE 3.48Å
311	F	95.6	Very high	95.5	Very high	46 Å²	46	56.5 Å²	56.5	20%	0.202	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-101.5	2.5	179.2	-62.4	-75.1	0	0	0	113.3	H254 W255 Y256 L257 L305 L306 K308 R309	H254-F311 VanDerWaalsContact O-O 3.13Å; W255-F311 WeakPolarHBondContact CA-O 3.23Å; Y256-F311 PolarHBondContact N-O 3.12Å; Y256-F311 WeakPolarHBondContact O-CB 3.36Å; L257-F311 HydrophobicContact CB-CD1 3.54Å; L257-F311 HydrophobicContact CB-CE1 3.7Å; L257-F311 HydrophobicContact CB-CG 4.37Å; L305-F311 HydrophobicContact CB-CE2 4.25Å; L305-F311 HydrophobicContact CD2-CE2 4.26Å; L305-F311 WeakPolarHBondContact O-CD2 3.42Å; L306-F311 HydrophobicContact CD2-CB 4.31Å; K308-F311 HydrophobicContact CB-CD2 4.12Å; K308-F311 HydrophobicContact CB-CE2 4.47Å; K308-F311 PolarHBondContact O-N 2.57Å; R309-F311 PolarHBondContact O-N 2.69Å; R309-F311 VanDerWaalsContact O-N 3.1Å
312	Y	96.5	Very high	95.4	Very high	68 Å²	68	53.6 Å²	53.6	27%	0.267	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	96.8	173.8	-170.6	-118.8	0	0	0	109.9	K222 H253 H254 W255 R309	K222-Y312 PolarHBondContact NZ-OH 2.99Å; H253-Y312 HydrophobicContact CB-CD1 4.06Å; H253-Y312 HydrophobicContact CB-CD2 4.12Å; H253-Y312 HydrophobicContact CB-CE1 3.6Å; H253-Y312 HydrophobicContact CB-CE2 3.65Å; H253-Y312 HydrophobicContact CB-CG 4.32Å; H253-Y312 WeakPolarHBondContact O-CE2 3.18Å; H254-Y312 WeakPolarHBondContact O-CA 3.43Å; W255-Y312 AromaticContact CD1-CD2 3.82Å; W255-Y312 AromaticContact CD2-CD2 3.56Å; W255-Y312 HydrophobicContact CD2-CD2 3.56Å; W255-Y312 HydrophobicContact CD2-CE2 4.42Å; W255-Y312 HydrophobicContact CD2-CG 4.12Å; W255-Y312 AromaticContact CE2-CD2 3.42Å; W255-Y312 VanDerWaalsContact CE2-CD2 3.42Å; W255-Y312 AromaticContact CE2-CE2 3.93Å; W255-Y312 HydrophobicContact CE3-CD2 4.15Å; W255-Y312 HydrophobicContact CE3-CG 4.27Å; W255-Y312 AromaticContact CG-CD2 3.83Å; W255-Y312 HydrophobicContact CG-CD2 3.83Å; W255-Y312 HydrophobicContact CG-CE2 4.5Å; W255-Y312 HydrophobicContact CH2-CG 4.31Å; W255-Y312 AromaticContact CZ2-CD2 3.94Å; W255-Y312 HydrophobicContact CZ2-CD2 3.94Å; W255-Y312 HydrophobicContact CZ2-CE2 4.43Å; W255-Y312 HydrophobicContact CZ2-CG 4.11Å; W255-Y312 HydrophobicContact CZ3-CG 4.38Å; W255-Y312 AromaticContact NE1-CD2 3.56Å; W255-Y312 AromaticContact NE1-CE2 3.66Å; R309-Y312 PolarHBondContact O-N 3.31Å
313	K	93.9	Very high	95.2	Very high	94 Å²	94	55.5 Å²	55.5	41%	0.409	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159.5	-172.7	-57	-177.6	-172.2	179.6	0	111.4	H253 H254 Y256 N310	H253-K313 CarbonylContact C-O 3.56Å; H253-K313 VanDerWaalsContact CA-O 3.28Å; H253-K313 WeakPolarHBondContact CA-O 3.49Å; H254-K313 PolarHBondContact N-O 3.48Å; H254-K313 PolarHBondContact O-N 2.82Å; Y256-K313 HydrophobicContact CE1-CB 3.87Å; N310-K313 WeakPolarHBondContact O-CE 3.48Å
314	K	93.2	Very high	95.1	Very high	66 Å²	66	55.3 Å²	55.3	29%	0.287	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	137	170.3	-66.3	-166.7	177.2	-170.6	0	110.2	H253	H253-K314 PolarHBondContact CD2-N 3.49Å; H253-K314 WeakPolarHBondContact CE1-CE 3.49Å; H253-K314 VanDerWaalsContact NE2-CG 3.31Å; H253-K314 WeakPolarHBondContact NE2-CG 3.5Å
315	L	95.4	Very high	95	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	24%	0.24	C	C	.	.			trans	-143.7	131.8	-178.1	-178.5	65.2	0	0	0	109.7	E252 H254 Y256 L267 L317 H396 L398	E252-L315 PolarHBondContact O-N 2.85Å; H254-L315 HydrophobicContact CB-CB 4.24Å; H254-L315 HydrophobicContact CB-CD2 4.01Å; Y256-L315 HydrophobicContact CD1-CB 4.3Å; Y256-L315 HydrophobicContact CD1-CD1 4.42Å; Y256-L315 HydrophobicContact CD1-CD2 3.94Å; Y256-L315 HydrophobicContact CD1-CG 4.46Å; Y256-L315 HydrophobicContact CE1-CB 4.02Å; Y256-L315 HydrophobicContact CE1-CD1 4.06Å; Y256-L315 HydrophobicContact CE1-CD2 4.34Å; Y256-L315 HydrophobicContact CE1-CG 4.38Å; Y256-L315 HydrophobicContact CE2-CD1 4.3Å; Y256-L315 HydrophobicContact CG-CD2 4.16Å; L267-L315 HydrophobicContact CD1-CD2 4.15Å; L315-L317 HydrophobicContact CD2-CB 4.29Å; L315-L317 HydrophobicContact CD2-CD1 4.45Å; L315-L317 HydrophobicContact CG-CB 4.38Å; L315-L317 PolarHBondContact O-N 3.39Å; L315-H396 HydrophobicContact CD1-CB 4.11Å; L315-L398 HydrophobicContact CD1-CB 3.78Å; L315-L398 HydrophobicContact CD2-CB 4.15Å; L315-L398 HydrophobicContact CG-CB 4.37Å
316	E	97.3	Very high	94.9	Very high	48 Å²	48	51.4 Å²	51.4	22%	0.224	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	100.3	161	-175	-175	131.8	0	0	108.4	L248 D250 H318 N394 H396 V397 L398	L248-E316 HydrophobicContact CD1-CG 3.9Å; D250-E316 HydrophobicContact CB-CB 4.33Å; D250-E316 HydrophobicContact CB-CG 4.07Å; E316-H318 IonicContact OE1-CD2 2.7Å; E316-H318 IonicContact OE1-CE1 3.77Å; E316-H318 IonicContact OE1-NE2 3.29Å; E316-H318 PolarHBondContact OE1-NE2 2.77Å; E316-N394 HydrophobicContact CB-CB 4.19Å; E316-H396 PolarHBondContact N-O 3.23Å; E316-V397 HydrophobicContact CB-CB 4.5Å; E316-V397 HydrophobicContact CB-CG1 4.42Å; E316-V397 HydrophobicContact CB-CG2 4.14Å; E316-V397 HydrophobicContact CG-CG1 4.48Å; E316-V397 WeakPolarHBondContact O-CA 3.29Å; E316-L398 PolarHBondContact O-N 2.77Å
317	L	98	Very high	94.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	121.4	-177.2	177.7	59.9	0	0	0	110.4	F224 L248 Q249 L267 M269 L315 F319 L398 F400	F224-L317 HydrophobicContact CE1-CD2 4.1Å; F224-L317 HydrophobicContact CE1-CG 4.4Å; F224-L317 HydrophobicContact CZ-CD2 3.91Å; L248-L317 WeakPolarHBondContact CA-O 3.41Å; Q249-L317 PolarHBondContact N-O 3.35Å; Q249-L317 PolarHBondContact O-N 3.11Å; L267-L317 HydrophobicContact CD2-CD1 3.67Å; L267-L317 HydrophobicContact CD2-CD2 3.8Å; L267-L317 HydrophobicContact CD2-CG 4.41Å; M269-L317 HydrophobicContact CE-CD2 4.47Å; M269-L317 HydrophobicContact SD-CD2 4.04Å; L315-L317 HydrophobicContact CD2-CB 4.29Å; L315-L317 HydrophobicContact CD2-CD1 4.45Å; L315-L317 HydrophobicContact CG-CB 4.38Å; L315-L317 PolarHBondContact O-N 3.39Å; L317-F319 HydrophobicContact CD1-CB 4.42Å; L317-F319 HydrophobicContact CD1-CD2 4.37Å; L317-F319 HydrophobicContact CG-CB 4.23Å; L317-L398 HydrophobicContact CD1-CD2 4.27Å; L317-F400 HydrophobicContact CD1-CD2 3.98Å; L317-F400 HydrophobicContact CD1-CE2 3.98Å
318	H	98.1	Very high	95	Very high	24 Å²	24	50.4 Å²	50.4	11%	0.111	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	116.1	167	-61.6	-113.4	0	0	0	108.1	M246 M247 E316 L398 R399 F400	M246-H318 HydrophobicContact CG-CB 3.93Å; M246-H318 VanDerWaalsContact SD-C 3.59Å; M246-H318 HydrophobicContact SD-CB 3.99Å; M247-H318 WeakPolarHBondContact O-CA 3.47Å; E316-H318 IonicContact OE1-CD2 2.7Å; E316-H318 IonicContact OE1-CE1 3.77Å; E316-H318 IonicContact OE1-NE2 3.29Å; E316-H318 PolarHBondContact OE1-NE2 2.77Å; H318-L398 PolarHBondContact N-O 3.11Å; H318-R399 HydrophobicContact CB-CB 4.23Å; H318-R399 HydrophobicContact CB-CG 4Å; H318-F400 PolarHBondContact O-N 3.41Å
319	F	98.1	Very high	95.1	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	129.8	-173.4	-158.8	-90.3	0	0	0	111.4	F224 M246 M247 F279 L317 F322 V371 F400 F404	F224-F319 HydrophobicContact CE1-CB 4.11Å; F224-F319 HydrophobicContact CZ-CB 3.91Å; F224-F319 HydrophobicContact CZ-CG 4.45Å; M246-F319 PolarHBondContact SD-N 2.92Å; M246-F319 VanDerWaalsContact SD-N 3.4Å; M247-F319 WeakPolarHBondContact CA-O 3.33Å; M247-F319 VanDerWaalsContact CB-O 3.3Å; M247-F319 WeakPolarHBondContact CB-O 3.42Å; M247-F319 HydrophobicContact CE-CB 4.29Å; M247-F319 HydrophobicContact CE-CD1 3.73Å; M247-F319 HydrophobicContact CE-CG 4.48Å; M247-F319 PolarHBondContact N-O 2.78Å; M247-F319 PolarHBondContact O-N 2.84Å; F279-F319 HydrophobicContact CB-CE2 4.33Å; F279-F319 AromaticContact CD1-CE2 3.86Å; F279-F319 HydrophobicContact CD1-CE2 3.86Å; F279-F319 AromaticContact CD1-CZ 3.59Å; F279-F319 HydrophobicContact CD1-CZ 3.59Å; F279-F319 AromaticContact CD2-CE2 3.83Å; F279-F319 HydrophobicContact CD2-CE2 3.83Å; F279-F319 HydrophobicContact CD2-CZ 4.02Å; F279-F319 HydrophobicContact CE1-CE1 4.23Å; F279-F319 HydrophobicContact CE1-CE2 4.06Å; F279-F319 AromaticContact CE1-CZ 3.35Å; F279-F319 HydrophobicContact CE1-CZ 3.35Å; F279-F319 HydrophobicContact CE2-CE1 4.48Å; F279-F319 HydrophobicContact CE2-CE2 4Å; F279-F319 AromaticContact CE2-CZ 3.79Å; F279-F319 HydrophobicContact CE2-CZ 3.79Å; F279-F319 AromaticContact CG-CE2 3.75Å; F279-F319 HydrophobicContact CG-CE2 3.75Å; F279-F319 AromaticContact CG-CZ 3.92Å; F279-F319 HydrophobicContact CG-CZ 3.92Å; F279-F319 HydrophobicContact CZ-CE1 4.04Å; F279-F319 HydrophobicContact CZ-CE2 4.11Å; F279-F319 AromaticContact CZ-CZ 3.43Å; F279-F319 HydrophobicContact CZ-CZ 3.43Å; F279-F319 VanDerWaalsContact CZ-CZ 3.43Å; L317-F319 HydrophobicContact CD1-CB 4.42Å; L317-F319 HydrophobicContact CD1-CD2 4.37Å; L317-F319 HydrophobicContact CG-CB 4.23Å; F319-F322 AromaticContact CE1-CE1 3.89Å; F319-F322 HydrophobicContact CE1-CE1 3.89Å; F319-F322 HydrophobicContact CZ-CE1 4.31Å; F319-V371 HydrophobicContact CD1-CG1 4.21Å; F319-V371 HydrophobicContact CE1-CG1 3.8Å; F319-F400 HydrophobicContact CD2-CB 3.98Å; F319-F400 HydrophobicContact CD2-CD1 4.49Å; F319-F400 AromaticContact CD2-CD2 3.36Å; F319-F400 HydrophobicContact CD2-CD2 3.36Å; F319-F400 AromaticContact CD2-CE2 3.85Å; F319-F400 HydrophobicContact CD2-CE2 3.85Å; F319-F400 AromaticContact CD2-CG 3.71Å; F319-F400 HydrophobicContact CD2-CG 3.71Å; F319-F400 HydrophobicContact CE2-CB 4.13Å; F319-F400 HydrophobicContact CE2-CD1 4.01Å; F319-F400 AromaticContact CE2-CD2 3.64Å; F319-F400 HydrophobicContact CE2-CD2 3.64Å; F319-F400 HydrophobicContact CE2-CE1 4.32Å; F319-F400 AromaticContact CE2-CE2 3.91Å; F319-F400 HydrophobicContact CE2-CE2 3.91Å; F319-F400 AromaticContact CE2-CG 3.66Å; F319-F400 HydrophobicContact CE2-CG 3.66Å; F319-F400 HydrophobicContact CE2-CZ 4.28Å; F319-F404 HydrophobicContact CZ-CE2 4.08Å; F319-F404 HydrophobicContact CZ-CZ 4.19Å
320	P	97.5	Very high	95.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	139.7	-177	28.2	-32.7	0	0	0	110.4	F234 V244 M246 F322 F400 F404	F234-P320 HydrophobicContact CE2-CG 4.36Å; V244-P320 HydrophobicContact CG2-CB 4.11Å; M246-P320 HydrophobicContact CE-CB 4.37Å; M246-P320 HydrophobicContact SD-CB 4.39Å; P320-F322 HydrophobicContact CB-CD1 4.09Å; P320-F322 HydrophobicContact CG-CD1 3.87Å; P320-F322 HydrophobicContact CG-CE1 4.12Å; P320-F322 VanDerWaalsContact O-CD1 3.25Å; P320-F322 WeakPolarHBondContact O-CD1 3.39Å; P320-F400 WeakPolarHBondContact CD-O 3.17Å; P320-F400 HydrophobicContact CG-CB 4.45Å; P320-F404 HydrophobicContact CG-CE1 3.97Å; P320-F404 HydrophobicContact CG-CZ 4.13Å
321	R	95.8	Very high	95.3	Very high	105 Å²	105	33 Å²	33	40%	0.396	16%	0.164	S	C	.	.			trans	-84.3	125.3	161.2	173	177.6	177.4	154	-1.6	107.8	P245 M247 V371 D372 E373	P245-R321 HydrophobicContact CB-CB 4.22Å; P245-R321 PolarHBondContact O-N 2.7Å; M247-R321 HydrophobicContact CG-CB 4.01Å; M247-R321 HydrophobicContact SD-CB 4.07Å; R321-V371 WeakPolarHBondContact CA-O 3.33Å; R321-V371 WeakPolarHBondContact CG-O 3.16Å; R321-D372 HydrophobicContact CG-CB 4.48Å; R321-E373 IonicContact CZ-OE2 3.41Å; R321-E373 IonicContact NE-OE2 3.58Å; R321-E373 IonicContact NH1-OE1 3.8Å; R321-E373 IonicContact NH1-OE2 2.75Å; R321-E373 PolarHBondContact NH1-OE2 3.33Å
322	F	93.9	Very high	95.3	Very high	13 Å²	13	36.2 Å²	36.2	6%	0.057	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	168.2	-175	66.1	-93.4	0	0	0	112.3	F319 P320 I324 V371 F404 V422 P425	F319-F322 AromaticContact CE1-CE1 3.89Å; F319-F322 HydrophobicContact CE1-CE1 3.89Å; F319-F322 HydrophobicContact CZ-CE1 4.31Å; P320-F322 HydrophobicContact CB-CD1 4.09Å; P320-F322 HydrophobicContact CG-CD1 3.87Å; P320-F322 HydrophobicContact CG-CE1 4.12Å; P320-F322 VanDerWaalsContact O-CD1 3.25Å; P320-F322 WeakPolarHBondContact O-CD1 3.39Å; F322-I324 HydrophobicContact CD2-CB 4.47Å; F322-I324 HydrophobicContact CD2-CG1 4.39Å; F322-I324 HydrophobicContact CD2-CG2 3.69Å; F322-I324 HydrophobicContact CE2-CB 4.47Å; F322-I324 HydrophobicContact CE2-CD1 3.91Å; F322-I324 HydrophobicContact CE2-CG1 3.97Å; F322-I324 HydrophobicContact CE2-CG2 3.88Å; F322-V371 HydrophobicContact CD1-CB 4.31Å; F322-V371 HydrophobicContact CE1-CB 4.03Å; F322-V371 HydrophobicContact CE1-CG1 4.45Å; F322-V371 HydrophobicContact CE1-CG2 4.02Å; F322-V371 HydrophobicContact CE2-CG2 4.03Å; F322-V371 HydrophobicContact CZ-CB 4.16Å; F322-V371 HydrophobicContact CZ-CG2 3.67Å; F322-V371 PolarHBondContact N-O 2.68Å; F322-V371 VanDerWaalsContact N-O 3.14Å; F322-V371 PolarHBondContact O-N 2.98Å; F322-F404 HydrophobicContact CE1-CE2 4.39Å; F322-F404 AromaticContact CE1-CZ 3.68Å; F322-F404 HydrophobicContact CE1-CZ 3.68Å; F322-F404 HydrophobicContact CZ-CE2 4.31Å; F322-F404 AromaticContact CZ-CZ 3.92Å; F322-F404 HydrophobicContact CZ-CZ 3.92Å; F322-V422 HydrophobicContact CE2-CG2 3.86Å; F322-V422 HydrophobicContact CZ-CG2 3.86Å; F322-P425 HydrophobicContact CB-CB 3.62Å; F322-P425 WeakPolarHBondContact CB-O 3.49Å; F322-P425 HydrophobicContact CD1-CB 4.41Å; F322-P425 HydrophobicContact CG-CB 4.07Å
323	S	93.1	Very high	95.3	Very high	40 Å²	40	33.7 Å²	33.7	28%	0.28	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	135.8	166.3	-174.1	0	0	0	0	107.9	L369 D370	S323-L369 WeakPolarHBondContact CA-O 3.27Å; S323-D370 VanDerWaalsContact CB-OD1 3.25Å; S323-D370 WeakPolarHBondContact CB-OD1 3.42Å; S323-D370 PolarHBondContact OG-OD1 2.87Å
324	I	92.9	Very high	95.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	150.3	174.3	59.2	179.3	0	0	0	110.5	F77 F322 T368 L369 V422	F77-I324 HydrophobicContact CB-CD1 3.91Å; F77-I324 HydrophobicContact CB-CG1 4.21Å; F77-I324 HydrophobicContact CD1-CD1 4.47Å; F77-I324 HydrophobicContact CD1-CG1 4.35Å; F77-I324 HydrophobicContact CD2-CD1 3.44Å; F77-I324 VanDerWaalsContact CD2-CD1 3.44Å; F77-I324 HydrophobicContact CD2-CG1 4.18Å; F77-I324 HydrophobicContact CE2-CD1 4.09Å; F77-I324 HydrophobicContact CG-CD1 3.67Å; F77-I324 HydrophobicContact CG-CG1 3.97Å; F322-I324 HydrophobicContact CD2-CB 4.47Å; F322-I324 HydrophobicContact CD2-CG1 4.39Å; F322-I324 HydrophobicContact CD2-CG2 3.69Å; F322-I324 HydrophobicContact CE2-CB 4.47Å; F322-I324 HydrophobicContact CE2-CD1 3.91Å; F322-I324 HydrophobicContact CE2-CG1 3.97Å; F322-I324 HydrophobicContact CE2-CG2 3.88Å; I324-T368 CarbonylContact O-C 3.59Å; I324-T368 VanDerWaalsContact O-CA 3.29Å; I324-T368 WeakPolarHBondContact O-CA 3.47Å; I324-L369 HydrophobicContact CD1-CB 4.47Å; I324-L369 HydrophobicContact CD1-CD2 4.35Å; I324-L369 HydrophobicContact CG1-CB 3.98Å; I324-L369 PolarHBondContact N-O 3.3Å; I324-L369 PolarHBondContact O-N 3.02Å; I324-V422 HydrophobicContact CD1-CG2 3.82Å; I324-V422 HydrophobicContact CG2-CG2 4.26Å
325	S	92.2	Very high	95.6	Very high	33 Å²	33	27.8 Å²	27.8	23%	0.231	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	157.3	170.2	73.4	0	0	0	0	111.7	A367 P428	S325-A367 CarbonylContact C-O 3.59Å; S325-A367 WeakPolarHBondContact CA-O 3.46Å; S325-A367 WeakPolarHBondContact CB-O 3.4Å; S325-P428 WeakPolarHBondContact CA-OXT 3.48Å; S325-P428 WeakPolarHBondContact CB-OXT 2.89Å; S325-P428 PolarHBondContact N-OXT 3.3Å; S325-P428 PolarHBondContact OG-OXT 2.96Å
326	G	92.9	Very high	95.7	Very high	7 Å²	7	33.7 Å²	33.7	7%	0.072	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	128.9	168	0	0	0	0	0	109.1	F77 K366 A367	F77-G326 VanDerWaalsContact O-CA 3.3Å; F77-G326 WeakPolarHBondContact O-CA 3.19Å; G326-K366 VanDerWaalsContact O-CA 3.26Å; G326-K366 WeakPolarHBondContact O-CA 3.46Å; G326-A367 PolarHBondContact N-O 2.84Å; G326-A367 PolarHBondContact O-N 2.85Å
327	S	94.3	Very high	95.6	Very high	65 Å²	65	32.3 Å²	32.3	46%	0.455	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	127.4	179.5	-165.1	0	0	0	0	109.2	H365	S327-H365 CarbonylContact C-O 3.51Å; S327-H365 WeakPolarHBondContact CA-O 3.33Å
328	Y	96	Very high	95.4	Very high	20 Å²	20	34 Å²	34	8%	0.078	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	137.2	-170	-58.8	-85.6	0	0	0	111.4	I67 F77 F78 I333 F364 H365	I67-Y328 HydrophobicContact CD1-CD1 4.06Å; I67-Y328 HydrophobicContact CD1-CE1 4.01Å; I67-Y328 HydrophobicContact CG1-CE1 4.06Å; I67-Y328 HydrophobicContact CG2-CE1 3.88Å; F77-Y328 PolarHBondContact N-OH 3.34Å; F77-Y328 VanDerWaalsContact O-CE2 3.3Å; F77-Y328 WeakPolarHBondContact O-CE2 3.38Å; F78-Y328 HydrophobicContact CB-CD2 4.26Å; F78-Y328 HydrophobicContact CB-CE2 3.67Å; Y328-I333 HydrophobicContact CD1-CD1 3.8Å; Y328-I333 HydrophobicContact CG-CD1 4.21Å; Y328-F364 WeakPolarHBondContact O-CA 3.03Å; Y328-H365 AromaticContact CD2-CD2 3.86Å; Y328-H365 PolarHBondContact N-O 3.45Å; Y328-H365 PolarHBondContact O-N 2.85Å
329	V	96.5	Very high	95.3	Very high	46 Å²	46	32.8 Å²	32.8	28%	0.279	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	92	172.3	-173.1	0	0	0	0	107.6	D331 Q332 I333 S363 F364	V329-D331 VanDerWaalsContact C-N 3.3Å; V329-D331 WeakPolarHBondContact CG1-OD1 3.4Å; V329-D331 PolarHBondContact O-N 2.98Å; V329-Q332 HydrophobicContact CB-CG 4.49Å; V329-Q332 HydrophobicContact CG1-CG 3.99Å; V329-Q332 PolarHBondContact O-N 2.85Å; V329-Q332 VanDerWaalsContact O-N 3.12Å; V329-I333 PolarHBondContact O-N 2.87Å; V329-S363 CarbonylContact C-O 3.56Å; V329-F364 HydrophobicContact CG1-CD1 4.49Å; V329-F364 HydrophobicContact CG1-CE1 4.18Å; V329-F364 HydrophobicContact CG2-CD1 4.13Å; V329-F364 HydrophobicContact CG2-CE1 4.04Å
330	L	96.9	Very high	95	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67.6	-27.7	-167.8	-64.5	-178.1	0	0	0	113.2	F63 I83 Y87 Q332 I333 L334 S363 H365	F63-L330 HydrophobicContact CE2-CD2 3.8Å; F63-L330 HydrophobicContact CZ-CD2 3.82Å; I83-L330 HydrophobicContact CD1-CD2 4.09Å; I83-L330 HydrophobicContact CG1-CD1 4.17Å; I83-L330 HydrophobicContact CG2-CD1 4.08Å; Y87-L330 HydrophobicContact CE2-CD1 3.7Å; Y87-L330 WeakPolarHBondContact OH-CB 3.4Å; L330-Q332 PolarHBondContact O-N 3.46Å; L330-I333 PolarHBondContact O-N 3.37Å; L330-I333 VanDerWaalsContact O-N 3.14Å; L330-L334 HydrophobicContact CB-CD1 4.04Å; L330-L334 HydrophobicContact CB-CG 4.18Å; L330-L334 WeakPolarHBondContact O-CB 3.49Å; L330-L334 WeakPolarHBondContact O-CG 3.49Å; L330-L334 PolarHBondContact O-N 2.9Å; L330-S363 PolarHBondContact N-O 3.4Å; L330-H365 HydrophobicContact CD1-CB 3.86Å; L330-H365 HydrophobicContact CD2-CB 4.24Å; L330-H365 HydrophobicContact CG-CB 4.05Å
331	D	94.2	Very high	94.8	Very high	18 Å²	18	37.8 Å²	37.8	10%	0.096	21%	0.206	C	C	.	.	H	α-helix	trans	-61.9	-22.2	173.9	54.7	-78.6	0	0	0	113.2	V329 P335 F343 K362 S363	V329-D331 VanDerWaalsContact C-N 3.3Å; V329-D331 WeakPolarHBondContact CG1-OD1 3.4Å; V329-D331 PolarHBondContact O-N 2.98Å; D331-P335 WeakPolarHBondContact O-CD 3.36Å; D331-P335 VanDerWaalsContact O-CG 3.31Å; D331-P335 WeakPolarHBondContact O-CG 3.25Å; D331-F343 HydrophobicContact CB-CD1 3.49Å; D331-F343 VanDerWaalsContact CB-CD1 3.49Å; D331-F343 HydrophobicContact CB-CE1 3.48Å; D331-F343 VanDerWaalsContact CB-CE1 3.48Å; D331-F343 HydrophobicContact CB-CG 4.23Å; D331-F343 HydrophobicContact CB-CZ 4.2Å; D331-K362 IonicContact OD2-NZ 3.6Å; D331-K362 PolarHBondContact OD2-NZ 2.75Å; D331-S363 PolarHBondContact OD1-N 2.91Å
332	Q	94.9	Very high	94.6	Very high	113 Å²	113	32.8 Å²	32.8	53%	0.528	19%	0.188	S	C	.	.	H	α-helix	trans	-90.8	-30.7	175.1	-59.5	178.1	23	0	0	111.9	V329 L330 R336	V329-Q332 HydrophobicContact CB-CG 4.49Å; V329-Q332 HydrophobicContact CG1-CG 3.99Å; V329-Q332 PolarHBondContact O-N 2.85Å; V329-Q332 VanDerWaalsContact O-N 3.12Å; L330-Q332 PolarHBondContact O-N 3.46Å; Q332-R336 VanDerWaalsContact C-NH2 3.33Å; Q332-R336 PolarHBondContact O-NE 3.48Å; Q332-R336 PolarHBondContact O-NH2 2.84Å
333	I	96.8	Very high	94.5	Very high	14 Å²	14	34 Å²	34	7%	0.072	19%	0.193	C	C	.	.	H	α-helix	trans	-86.5	-53.2	-171.1	-64.9	163.3	0	0	0	111	F63 L66 I67 Y328 V329 L330 R336	F63-I333 HydrophobicContact CD2-CG2 4.41Å; F63-I333 HydrophobicContact CE2-CG2 3.7Å; F63-I333 HydrophobicContact CZ-CD1 4.49Å; F63-I333 HydrophobicContact CZ-CG2 3.96Å; L66-I333 HydrophobicContact CD2-CG2 3.44Å; L66-I333 VanDerWaalsContact CD2-CG2 3.44Å; I67-I333 HydrophobicContact CD1-CD1 4Å; I67-I333 HydrophobicContact CD1-CG1 4.35Å; I67-I333 HydrophobicContact CD1-CG2 3.95Å; Y328-I333 HydrophobicContact CD1-CD1 3.8Å; Y328-I333 HydrophobicContact CG-CD1 4.21Å; V329-I333 PolarHBondContact O-N 2.87Å; L330-I333 PolarHBondContact O-N 3.37Å; L330-I333 VanDerWaalsContact O-N 3.14Å; I333-R336 WeakPolarHBondContact O-CB 3.44Å; I333-R336 PolarHBondContact O-N 2.95Å; I333-R336 VanDerWaalsContact O-N 3.12Å
334	L	97	Very high	94.4	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-63.9	-26.4	-170.8	-64.6	-177.4	0	0	0	116	F59 F63 Y87 L330 R336 L337 G338 F339 F343	F59-L334 HydrophobicContact CE2-CD2 4.17Å; F59-L334 HydrophobicContact CZ-CD2 4Å; F63-L334 HydrophobicContact CD2-CD2 4Å; F63-L334 HydrophobicContact CE2-CD2 3.86Å; Y87-L334 HydrophobicContact CD1-CD1 3.95Å; Y87-L334 HydrophobicContact CD2-CD1 4.17Å; Y87-L334 HydrophobicContact CE1-CD1 3.29Å; Y87-L334 HydrophobicContact CE2-CD1 3.58Å; Y87-L334 HydrophobicContact CG-CD1 4.34Å; Y87-L334 WeakPolarHBondContact OH-CD1 3.3Å; L330-L334 HydrophobicContact CB-CD1 4.04Å; L330-L334 HydrophobicContact CB-CG 4.18Å; L330-L334 WeakPolarHBondContact O-CB 3.49Å; L330-L334 WeakPolarHBondContact O-CG 3.49Å; L330-L334 PolarHBondContact O-N 2.9Å; L334-R336 PolarHBondContact O-N 3.07Å; L334-R336 VanDerWaalsContact O-N 3.14Å; L334-L337 HydrophobicContact CD2-CD1 4.09Å; L334-L337 CarbonylContact O-C 3.58Å; L334-L337 WeakPolarHBondContact O-CA 3.3Å; L334-L337 PolarHBondContact O-N 2.92Å; L334-G338 PolarHBondContact O-N 3.21Å; L334-F339 HydrophobicContact CB-CB 3.82Å; L334-F339 HydrophobicContact CB-CD2 3.76Å; L334-F339 HydrophobicContact CB-CG 3.83Å; L334-F339 HydrophobicContact CD1-CD1 4.47Å; L334-F339 HydrophobicContact CD1-CG 4.43Å; L334-F339 HydrophobicContact CD2-CD2 4.34Å; L334-F339 HydrophobicContact CD2-CE2 4.27Å; L334-F339 HydrophobicContact CG-CD2 4.46Å; L334-F339 WeakPolarHBondContact O-CB 3.39Å; L334-F339 VanDerWaalsContact O-CD2 3.31Å; L334-F339 WeakPolarHBondContact O-CD2 3.34Å; L334-F339 PolarHBondContact O-N 2.93Å; L334-F339 VanDerWaalsContact O-N 3.12Å; L334-F343 HydrophobicContact CB-CE2 4.06Å; L334-F343 HydrophobicContact CD1-CE2 4.49Å
335	P	96.4	Very high	94.1	Very high	37 Å²	37	40.6 Å²	40.6	24%	0.24	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-53.1	-34	171.4	-29.5	36.2	0	0	0	113.4	D331 L337 G338 V340 F343	D331-P335 WeakPolarHBondContact O-CD 3.36Å; D331-P335 VanDerWaalsContact O-CG 3.31Å; D331-P335 WeakPolarHBondContact O-CG 3.25Å; P335-L337 PolarHBondContact O-N 2.96Å; P335-G338 PolarHBondContact O-N 3.42Å; P335-V340 HydrophobicContact CB-CG2 4.42Å; P335-V340 VanDerWaalsContact O-CG2 3.32Å; P335-V340 WeakPolarHBondContact O-CG2 3.5Å; P335-F343 HydrophobicContact CG-CB 4.44Å; P335-F343 HydrophobicContact CG-CD2 3.89Å; P335-F343 HydrophobicContact CG-CG 4.46Å
336	R	96.1	Very high	94	Very high	123 Å²	123	47.6 Å²	47.6	46%	0.464	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-72.5	-15	177.2	-67	166.1	-90.3	-171.7	-1.5	113.5	L66 E70 Q332 I333 L334	L66-R336 HydrophobicContact CD1-CB 3.69Å; L66-R336 HydrophobicContact CD2-CB 4.49Å; E70-R336 IonicContact OE1-CZ 2.68Å; E70-R336 VanDerWaalsContact OE1-CZ 3.29Å; E70-R336 IonicContact OE1-NE 3.86Å; E70-R336 IonicContact OE1-NH1 3.45Å; E70-R336 PolarHBondContact OE1-NH1 2.98Å; E70-R336 IonicContact OE2-CZ 3.83Å; E70-R336 IonicContact OE2-NH1 3.13Å; E70-R336 PolarHBondContact OE2-NH1 2.83Å; E70-R336 IonicContact OE2-NH2 3.59Å; Q332-R336 VanDerWaalsContact C-NH2 3.33Å; Q332-R336 PolarHBondContact O-NE 3.48Å; Q332-R336 PolarHBondContact O-NH2 2.84Å; I333-R336 WeakPolarHBondContact O-CB 3.44Å; I333-R336 PolarHBondContact O-N 2.95Å; I333-R336 VanDerWaalsContact O-N 3.12Å; L334-R336 PolarHBondContact O-N 3.07Å; L334-R336 VanDerWaalsContact O-N 3.14Å
337	L	95.8	Very high	94.1	Very high	19 Å²	19	47.2 Å²	47.2	10%	0.099	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-103.1	10.8	175.3	-63.5	176.7	0	0	0	112.7	F59 R62 F63 L66 L334 P335 F339	F59-L337 HydrophobicContact CE2-CD1 4.2Å; R62-L337 HydrophobicContact CB-CD2 4.33Å; R62-L337 PolarHBondContact NH2-O 3.22Å; F63-L337 HydrophobicContact CB-CD1 4.07Å; F63-L337 HydrophobicContact CD2-CD1 3.66Å; F63-L337 HydrophobicContact CG-CD1 4.24Å; L66-L337 HydrophobicContact CB-CD2 4.34Å; L66-L337 HydrophobicContact CD1-CD2 4.21Å; L66-L337 HydrophobicContact CD2-CD1 4.49Å; L66-L337 HydrophobicContact CD2-CG 4.35Å; L334-L337 HydrophobicContact CD2-CD1 4.09Å; L334-L337 CarbonylContact O-C 3.58Å; L334-L337 WeakPolarHBondContact O-CA 3.3Å; L334-L337 PolarHBondContact O-N 2.92Å; P335-L337 PolarHBondContact O-N 2.96Å; L337-F339 HydrophobicContact CB-CD2 4.25Å; L337-F339 HydrophobicContact CB-CE2 4.29Å
338	G	94.2	Very high	94.1	Very high	35 Å²	35	46.8 Å²	46.8	36%	0.361	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	107	-1.9	174.4	0	0	0	0	0	115.4	Q101 L334 P335 V340	Q101-G338 WeakPolarHBondContact CG-O 3.33Å; Q101-G338 PolarHBondContact OE1-O 3.02Å; L334-G338 PolarHBondContact O-N 3.21Å; P335-G338 PolarHBondContact O-N 3.42Å; G338-V340 PolarHBondContact O-N 2.91Å; G338-V340 VanDerWaalsContact O-N 3.08Å
339	F	95.2	Very high	94	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.			trans	-86.6	42	-177.8	-60.7	-107.9	0	0	0	112.6	F59 Y87 Q101 I102 G105 L106 L334 L337 L342 F343	F59-F339 HydrophobicContact CE2-CE2 4.11Å; F59-F339 HydrophobicContact CE2-CZ 4.25Å; Y87-F339 AromaticContact CD1-CD1 3.94Å; Y87-F339 HydrophobicContact CD1-CD1 3.94Å; Y87-F339 AromaticContact CD1-CE1 3.87Å; Y87-F339 HydrophobicContact CD1-CE1 3.87Å; Y87-F339 HydrophobicContact CE1-CD1 4.36Å; Y87-F339 HydrophobicContact CG-CE1 4.33Å; Q101-F339 VanDerWaalsContact OE1-C 3.22Å; I102-F339 HydrophobicContact CB-CE1 4.47Å; I102-F339 HydrophobicContact CG1-CD1 4.47Å; I102-F339 HydrophobicContact CG2-CE1 4.07Å; I102-F339 WeakPolarHBondContact O-CE1 3.4Å; G105-F339 VanDerWaalsContact C-CE2 3.49Å; G105-F339 VanDerWaalsContact C-CZ 3.43Å; L106-F339 HydrophobicContact CD2-CE1 4.34Å; L106-F339 HydrophobicContact CD2-CZ 3.78Å; L106-F339 HydrophobicContact CG-CE1 4.18Å; L106-F339 HydrophobicContact CG-CZ 3.84Å; L334-F339 HydrophobicContact CB-CB 3.82Å; L334-F339 HydrophobicContact CB-CD2 3.76Å; L334-F339 HydrophobicContact CB-CG 3.83Å; L334-F339 HydrophobicContact CD1-CD1 4.47Å; L334-F339 HydrophobicContact CD1-CG 4.43Å; L334-F339 HydrophobicContact CD2-CD2 4.34Å; L334-F339 HydrophobicContact CD2-CE2 4.27Å; L334-F339 HydrophobicContact CG-CD2 4.46Å; L334-F339 WeakPolarHBondContact O-CB 3.39Å; L334-F339 VanDerWaalsContact O-CD2 3.31Å; L334-F339 WeakPolarHBondContact O-CD2 3.34Å; L334-F339 PolarHBondContact O-N 2.93Å; L334-F339 VanDerWaalsContact O-N 3.12Å; L337-F339 HydrophobicContact CB-CD2 4.25Å; L337-F339 HydrophobicContact CB-CE2 4.29Å; F339-L342 HydrophobicContact CD1-CD2 4.46Å; F339-F343 HydrophobicContact CB-CD2 4.33Å; F339-F343 HydrophobicContact CB-CE2 4.05Å; F339-F343 WeakPolarHBondContact O-CD2 3.16Å
340	V	92.9	Very high	94	Very high	86 Å²	86	46 Å²	46	52%	0.521	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-45	-170.7	-178.6	0	0	0	0	112.9	P335 G338 F343	P335-V340 HydrophobicContact CB-CG2 4.42Å; P335-V340 VanDerWaalsContact O-CG2 3.32Å; P335-V340 WeakPolarHBondContact O-CG2 3.5Å; G338-V340 PolarHBondContact O-N 2.91Å; G338-V340 VanDerWaalsContact O-N 3.08Å; V340-F343 PolarHBondContact O-N 2.93Å
341	D	92.1	Very high	94	Very high	19 Å²	19	46.8 Å²	46.8	10%	0.102	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-41.7	-174.6	-176.8	66.6	0	0	0	111.4	S98 Q101 F343 S344 W346 A347	S98-D341 WeakPolarHBondContact CA-OD2 3.11Å; S98-D341 WeakPolarHBondContact CB-OD2 3.45Å; S98-D341 PolarHBondContact OG-OD2 2.91Å; Q101-D341 VanDerWaalsContact OE1-CB 3.24Å; D341-F343 VanDerWaalsContact C-N 3.26Å; D341-F343 PolarHBondContact O-N 2.89Å; D341-S344 WeakPolarHBondContact O-CB 3.44Å; D341-S344 PolarHBondContact O-N 2.86Å; D341-S344 PolarHBondContact O-OG 2.78Å; D341-W346 WeakPolarHBondContact OD1-CB 3.36Å; D341-A347 WeakPolarHBondContact O-CB 3.44Å; D341-A347 PolarHBondContact O-N 2.84Å
342	L	92.6	Very high	94	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-37.3	-179.9	178	60.1	0	0	0	113.8	Y87 L90 I102 F339 S344 L349 A360	Y87-L342 HydrophobicContact CD1-CD2 3.83Å; Y87-L342 HydrophobicContact CE1-CD2 3.63Å; L90-L342 HydrophobicContact CD2-CD1 3.95Å; L90-L342 HydrophobicContact CD2-CD2 3.86Å; L90-L342 HydrophobicContact CD2-CG 4.46Å; I102-L342 HydrophobicContact CD1-CD1 4Å; I102-L342 HydrophobicContact CD1-CD2 4.11Å; I102-L342 HydrophobicContact CG1-CB 4.48Å; I102-L342 HydrophobicContact CG1-CD2 4Å; F339-L342 HydrophobicContact CD1-CD2 4.46Å; L342-S344 VanDerWaalsContact C-N 3.34Å; L342-L349 HydrophobicContact CD1-CD1 4.32Å; L342-L349 HydrophobicContact CD1-CD2 3.85Å; L342-L349 HydrophobicContact CD1-CG 4.47Å; L342-A360 HydrophobicContact CD1-CB 3.94Å; L342-A360 HydrophobicContact CG-CB 4.02Å; L342-A360 PolarHBondContact O-N 2.82Å
343	F	91.4	Very high	94.1	Very high	38 Å²	38	40.7 Å²	40.7	17%	0.167	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	20.7	-179.1	-61.6	-68.4	0	0	0	112.5	Y87 D331 L334 P335 F339 V340 D341 A360	Y87-F343 HydrophobicContact CE1-CE2 4.24Å; Y87-F343 AromaticContact CE1-CZ 3.79Å; Y87-F343 HydrophobicContact CE1-CZ 3.79Å; Y87-F343 WeakPolarHBondContact OH-CZ 3.27Å; D331-F343 HydrophobicContact CB-CD1 3.49Å; D331-F343 VanDerWaalsContact CB-CD1 3.49Å; D331-F343 HydrophobicContact CB-CE1 3.48Å; D331-F343 VanDerWaalsContact CB-CE1 3.48Å; D331-F343 HydrophobicContact CB-CG 4.23Å; D331-F343 HydrophobicContact CB-CZ 4.2Å; L334-F343 HydrophobicContact CB-CE2 4.06Å; L334-F343 HydrophobicContact CD1-CE2 4.49Å; P335-F343 HydrophobicContact CG-CB 4.44Å; P335-F343 HydrophobicContact CG-CD2 3.89Å; P335-F343 HydrophobicContact CG-CG 4.46Å; F339-F343 HydrophobicContact CB-CD2 4.33Å; F339-F343 HydrophobicContact CB-CE2 4.05Å; F339-F343 WeakPolarHBondContact O-CD2 3.16Å; V340-F343 PolarHBondContact O-N 2.93Å; D341-F343 VanDerWaalsContact C-N 3.26Å; D341-F343 PolarHBondContact O-N 2.89Å; F343-A360 HydrophobicContact CD1-CB 3.99Å; F343-A360 WeakPolarHBondContact CD1-O 3.45Å; F343-A360 HydrophobicContact CE1-CB 3.75Å
344	S	90	Very high	93.9	Very high	23 Å²	23	48.3 Å²	48.3	16%	0.161	24%	0.241	C	C	.	.	S	Bend	trans	-124.6	165.4	-178.9	83.8	0	0	0	0	111.8	D341 L342 W346 A347	D341-S344 WeakPolarHBondContact O-CB 3.44Å; D341-S344 PolarHBondContact O-N 2.86Å; D341-S344 PolarHBondContact O-OG 2.78Å; L342-S344 VanDerWaalsContact C-N 3.34Å; S344-W346 PolarHBondContact O-N 3.06Å; S344-W346 WeakPolarHBondContact OG-CB 3.49Å; S344-W346 PolarHBondContact OG-N 3.04Å; S344-W346 VanDerWaalsContact OG-N 3.09Å; S344-A347 VanDerWaalsContact O-CB 3.26Å; S344-A347 WeakPolarHBondContact O-CB 3.47Å; S344-A347 PolarHBondContact O-N 3.33Å
345	K	88.5	Confident	93.6	Very high	156 Å²	156	53.6 Å²	53.6	68%	0.678	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-9.8	169.3	50.1	-179.3	168.3	180	0	114.7	K357	K345-K357 WeakPolarHBondContact O-CE 3.33Å; K345-K357 PolarHBondContact O-NZ 3.43Å
346	W	90.2	Very high	93.2	Very high	180 Å²	180	58.8 Å²	58.8	68%	0.682	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-15.7	176.6	-55.1	115.3	0	0	0	113.1	D341 S344 D348	D341-W346 WeakPolarHBondContact OD1-CB 3.36Å; S344-W346 PolarHBondContact O-N 3.06Å; S344-W346 WeakPolarHBondContact OG-CB 3.49Å; S344-W346 PolarHBondContact OG-N 3.04Å; S344-W346 VanDerWaalsContact OG-N 3.09Å; W346-D348 PolarHBondContact O-N 2.94Å
347	A	93.3	Very high	92.5	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.285	C	S	.	.			trans	-48.3	128.3	178.5	0	0	0	0	0	112.3	D341 S344 L349 K357	D341-A347 WeakPolarHBondContact O-CB 3.44Å; D341-A347 PolarHBondContact O-N 2.84Å; S344-A347 VanDerWaalsContact O-CB 3.26Å; S344-A347 WeakPolarHBondContact O-CB 3.47Å; S344-A347 PolarHBondContact O-N 3.33Å; A347-L349 HydrophobicContact CB-CG 4.38Å; A347-K357 VanDerWaalsContact O-CE 3.22Å; A347-K357 WeakPolarHBondContact O-CE 3.42Å
348	D	94.6	Very high	92	Very high	56 Å²	56	58.5 Å²	58.5	30%	0.299	28%	0.282	S	S	.	.			trans	-104.8	86.2	170.8	-172.8	1.5	0	0	0	109.6	A94 C95 S98 W346 S350	A94-D348 CarbonylContact C-O 3.57Å; A94-D348 VanDerWaalsContact CA-O 3.28Å; A94-D348 WeakPolarHBondContact CA-O 3.03Å; C95-D348 HydrophobicContact CB-CB 4.34Å; C95-D348 VanDerWaalsContact CB-OD2 3.22Å; C95-D348 WeakPolarHBondContact CB-OD2 3.35Å; C95-D348 PolarHBondContact N-O 2.76Å; S98-D348 PolarHBondContact OG-N 2.64Å; W346-D348 PolarHBondContact O-N 2.94Å; D348-S350 VanDerWaalsContact C-N 3.34Å; D348-S350 WeakPolarHBondContact OD1-CB 3.3Å; D348-S350 PolarHBondContact OD1-N 2.81Å; D348-S350 PolarHBondContact OD1-OG 2.89Å
349	L	95.4	Very high	91.1	Very high	3 Å²	3	61 Å²	61	2%	0.016	28%	0.284	C	S	.	.			trans	-99.6	29.4	173.7	-62.1	176.7	0	0	0	111.9	G93 A94 M208 L342 A347 G351 I352 L358 A360	G93-L349 CarbonylContact O-C 3.34Å; G93-L349 VanDerWaalsContact O-C 3.3Å; G93-L349 WeakPolarHBondContact O-CA 3.4Å; A94-L349 HydrophobicContact CB-CD2 3.94Å; M208-L349 HydrophobicContact CE-CD1 3.64Å; L342-L349 HydrophobicContact CD1-CD1 4.32Å; L342-L349 HydrophobicContact CD1-CD2 3.85Å; L342-L349 HydrophobicContact CD1-CG 4.47Å; A347-L349 HydrophobicContact CB-CG 4.38Å; L349-G351 PolarHBondContact O-N 3.17Å; L349-G351 VanDerWaalsContact O-N 3.17Å; L349-I352 HydrophobicContact CB-CD1 4.09Å; L349-I352 HydrophobicContact CB-CG1 4.36Å; L349-I352 HydrophobicContact CD1-CD1 4.34Å; L349-I352 HydrophobicContact CD2-CD1 4.19Å; L349-I352 HydrophobicContact CG-CD1 4.44Å; L349-I352 WeakPolarHBondContact O-CB 3.36Å; L349-I352 PolarHBondContact O-N 2.91Å; L349-L358 HydrophobicContact CB-CB 3.99Å; L349-L358 HydrophobicContact CD1-CB 4.1Å; L349-A360 HydrophobicContact CD1-CB 4.42Å
350	S	95.6	Very high	89.6	Confident	45 Å²	45	61.5 Å²	61.5	32%	0.315	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-16.5	-178	58.9	0	0	0	0	113.9	C95 L153 D348 I352 T353	C95-S350 PolarHBondContact SG-OG 2.74Å; L153-S350 WeakPolarHBondContact CD1-O 3.27Å; D348-S350 VanDerWaalsContact C-N 3.34Å; D348-S350 WeakPolarHBondContact OD1-CB 3.3Å; D348-S350 PolarHBondContact OD1-N 2.81Å; D348-S350 PolarHBondContact OD1-OG 2.89Å; S350-I352 VanDerWaalsContact C-N 3.29Å; S350-T353 WeakPolarHBondContact CA-O 3.39Å
351	G	95.9	Very high	89	Confident	17 Å²	17	58.3 Å²	58.3	18%	0.175	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-21.4	170.4	0	0	0	0	0	113.6	G93 L153 F156 L349	G93-G351 CarbonylContact O-C 3.41Å; G93-G351 WeakPolarHBondContact O-CA 3.47Å; G93-G351 PolarHBondContact O-N 3.27Å; L153-G351 WeakPolarHBondContact CD1-O 3.4Å; F156-G351 WeakPolarHBondContact CB-O 3.18Å; L349-G351 PolarHBondContact O-N 3.17Å; L349-G351 VanDerWaalsContact O-N 3.17Å
352	I	96.2	Very high	89.1	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-50.9	174.8	-54.4	-176.9	0	0	0	110.4	L90 G93 L146 F152 L153 F156 M208 L349 S350 L358	L90-I352 HydrophobicContact CD1-CD1 3.77Å; G93-I352 PolarHBondContact O-N 3.12Å; L146-I352 HydrophobicContact CD2-CG2 4.47Å; F152-I352 CarbonylContact C-O 3.49Å; F152-I352 WeakPolarHBondContact CA-O 3.41Å; F152-I352 HydrophobicContact CD1-CG2 3.7Å; F152-I352 HydrophobicContact CE1-CG2 3.75Å; L153-I352 PolarHBondContact N-O 3.39Å; F156-I352 HydrophobicContact CD1-CG1 4.47Å; F156-I352 HydrophobicContact CD1-CG2 4.19Å; F156-I352 HydrophobicContact CD2-CG1 4.32Å; F156-I352 HydrophobicContact CE1-CG1 4.21Å; F156-I352 HydrophobicContact CE1-CG2 4.09Å; F156-I352 HydrophobicContact CE2-CG1 4.06Å; F156-I352 HydrophobicContact CZ-CD1 4.22Å; F156-I352 HydrophobicContact CZ-CG1 4Å; M208-I352 HydrophobicContact CE-CD1 4.27Å; M208-I352 HydrophobicContact SD-CD1 3.79Å; L349-I352 HydrophobicContact CB-CD1 4.09Å; L349-I352 HydrophobicContact CB-CG1 4.36Å; L349-I352 HydrophobicContact CD1-CD1 4.34Å; L349-I352 HydrophobicContact CD2-CD1 4.19Å; L349-I352 HydrophobicContact CG-CD1 4.44Å; L349-I352 WeakPolarHBondContact O-CB 3.36Å; L349-I352 PolarHBondContact O-N 2.91Å; S350-I352 VanDerWaalsContact C-N 3.29Å; I352-L358 HydrophobicContact CB-CD1 4.14Å; I352-L358 HydrophobicContact CG2-CD1 4.04Å
353	T	95.2	Very high	89.3	Confident	3 Å²	3	59.7 Å²	59.7	2%	0.018	28%	0.275	C	S	.	.			trans	-152.2	147.1	178.6	-167.9	0	0	0	0	111.4	K151 S350 Q355 L358	K151-T353 VanDerWaalsContact O-CB 3.23Å; K151-T353 WeakPolarHBondContact O-CB 3.42Å; K151-T353 PolarHBondContact O-OG1 2.96Å; S350-T353 WeakPolarHBondContact CA-O 3.39Å; T353-Q355 PolarHBondContact OG1-N 2.98Å; T353-L358 HydrophobicContact CG2-CD1 3.44Å; T353-L358 VanDerWaalsContact CG2-CD1 3.44Å; T353-L358 HydrophobicContact CG2-CG 3.75Å
354	K	93.4	Very high	89.5	Confident	174 Å²	174	58.5 Å²	58.5	76%	0.757	27%	0.27	S	S	*	.	S	Bend	trans	-97.1	-8.4	175.9	-66	-175.3	179.1	-175	0	113.8	L153	L153-K354 HydrophobicContact CD1-CG 4.15Å; L153-K354 HydrophobicContact CD2-CG 4.27Å
355	Q	91.1	Very high	89.8	Confident	111 Å²	111	57.4 Å²	57.4	52%	0.519	26%	0.262	S	S	.	.	S	Bend	trans	-77.3	-26.5	-169.6	-68.4	175.2	-79.8	0	0	113.4	L150 T353	L150-Q355 HydrophobicContact CD2-CB 4.04Å; T353-Q355 PolarHBondContact OG1-N 2.98Å
356	R	87.3	Confident	90.1	Very high	147 Å²	147	51.5 Å²	51.5	56%	0.555	24%	0.236	S	C	*	.	S	Bend	trans	-153.1	147.5	-177.6	-171.4	172.7	175.9	173.1	-1.6	109.2	L150 L358	L150-R356 HydrophobicContact CD2-CB 3.8Å; R356-L358 PolarHBondContact O-N 3.42Å
357	K	82.8	Confident	90.2	Very high	130 Å²	130	43 Å²	43	57%	0.565	20%	0.204	S	C	*	.			trans	-65.5	116.2	168	-163.7	173.1	-168.5	-177.6	0	108.9	K345 A347	K345-K357 WeakPolarHBondContact O-CE 3.33Å; K345-K357 PolarHBondContact O-NZ 3.43Å; A347-K357 VanDerWaalsContact O-CE 3.22Å; A347-K357 WeakPolarHBondContact O-CE 3.42Å
358	L	83.9	Confident	90.1	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.026	21%	0.213	C	C	.	.			trans	-94.3	143.9	176.7	-76.8	-179.7	0	0	0	110	L146 L150 L207 M208 L349 I352 T353 R356	L146-L358 HydrophobicContact CD1-CD1 3.83Å; L146-L358 HydrophobicContact CD1-CD2 4.14Å; L150-L358 HydrophobicContact CD1-CD2 3.58Å; L150-L358 HydrophobicContact CD1-CG 4.44Å; L207-L358 HydrophobicContact CB-CD2 4.08Å; L207-L358 HydrophobicContact CD1-CD2 4.44Å; M208-L358 HydrophobicContact SD-CD1 4.42Å; L349-L358 HydrophobicContact CB-CB 3.99Å; L349-L358 HydrophobicContact CD1-CB 4.1Å; I352-L358 HydrophobicContact CB-CD1 4.14Å; I352-L358 HydrophobicContact CG2-CD1 4.04Å; T353-L358 HydrophobicContact CG2-CD1 3.44Å; T353-L358 VanDerWaalsContact CG2-CD1 3.44Å; T353-L358 HydrophobicContact CG2-CG 3.75Å; R356-L358 PolarHBondContact O-N 3.42Å
359	E	74.9	Confident	89.8	Confident	89 Å²	89	42 Å²	42	42%	0.416	20%	0.2	S	C	.	.			trans	-116.3	146.8	159.1	59.6	-171.3	-169.1	0	0	107.4	S361	E359-S361 PolarHBondContact O-N 3.36Å; E359-S361 PolarHBondContact O-OG 3.37Å
360	A	65	Low	89.5	Confident	9 Å²	9	43.6 Å²	43.6	7%	0.074	21%	0.208	C	C	.	.			trans	-69.2	98.7	172.1	0	0	0	0	0	108.5	M208 L342 F343 L349	M208-A360 VanDerWaalsContact CE-CA 3.47Å; M208-A360 HydrophobicContact CE-CB 3.69Å; L342-A360 HydrophobicContact CD1-CB 3.94Å; L342-A360 HydrophobicContact CG-CB 4.02Å; L342-A360 PolarHBondContact O-N 2.82Å; F343-A360 HydrophobicContact CD1-CB 3.99Å; F343-A360 WeakPolarHBondContact CD1-O 3.45Å; F343-A360 HydrophobicContact CE1-CB 3.75Å; L349-A360 HydrophobicContact CD1-CB 4.42Å
361	S	80.4	Confident	89.4	Confident	19 Å²	19	41.5 Å²	41.5	13%	0.133	19%	0.194	C	C	.	.			trans	-75.1	-39.9	-166.9	-46.7	0	0	0	0	112.9	L207 M208 E359	L207-S361 PolarHBondContact N-OG 3.42Å; M208-S361 WeakPolarHBondContact O-CB 3.11Å; M208-S361 PolarHBondContact O-N 2.79Å; E359-S361 PolarHBondContact O-N 3.36Å; E359-S361 PolarHBondContact O-OG 3.37Å
362	K	93.6	Very high	89.1	Confident	46 Å²	46	41.3 Å²	41.3	20%	0.2	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	143.8	179.6	-69	-69.7	146.2	-161.1	0	111.6	L202 V206 M208 V209 L210 D331 F364	L202-K362 HydrophobicContact CD2-CB 4.45Å; L202-K362 HydrophobicContact CD2-CG 4.1Å; V206-K362 HydrophobicContact CG2-CG 3.94Å; M208-K362 PolarHBondContact O-N 2.93Å; V209-K362 WeakPolarHBondContact CA-O 3.19Å; V209-K362 HydrophobicContact CG1-CB 4.45Å; V209-K362 HydrophobicContact CG2-CB 4.21Å; L210-K362 PolarHBondContact N-O 3.35Å; D331-K362 IonicContact OD2-NZ 3.6Å; D331-K362 PolarHBondContact OD2-NZ 2.75Å; K362-F364 HydrophobicContact CB-CD2 4.49Å; K362-F364 HydrophobicContact CB-CE2 3.66Å; K362-F364 HydrophobicContact CB-CZ 4.02Å; K362-F364 HydrophobicContact CD-CZ 4.15Å; K362-F364 HydrophobicContact CG-CE2 4.36Å; K362-F364 HydrophobicContact CG-CZ 4.3Å
363	S	95.9	Very high	89	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.014	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	131.5	174.5	-175.5	0	0	0	0	111.4	Y87 L210 V329 L330 D331	Y87-S363 WeakPolarHBondContact OH-CB 3.48Å; Y87-S363 PolarHBondContact OH-OG 2.88Å; L210-S363 CarbonylContact O-C 3.52Å; L210-S363 VanDerWaalsContact O-CA 3.26Å; L210-S363 WeakPolarHBondContact O-CA 3.47Å; V329-S363 CarbonylContact C-O 3.56Å; L330-S363 PolarHBondContact N-O 3.4Å; D331-S363 PolarHBondContact OD1-N 2.91Å
364	F	96.9	Very high	88.7	Confident	13 Å²	13	42.5 Å²	42.5	6%	0.057	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.3	-174.7	-56	-83.7	0	0	0	112	L198 V199 L202 V209 L210 V211 N212 Y328 V329 K362	L198-F364 HydrophobicContact CD1-CB 4Å; L198-F364 HydrophobicContact CD2-CB 4.16Å; L198-F364 HydrophobicContact CG-CB 3.97Å; V199-F364 HydrophobicContact CB-CE2 4.48Å; V199-F364 HydrophobicContact CG1-CE2 3.93Å; V199-F364 HydrophobicContact CG1-CZ 3.92Å; V199-F364 HydrophobicContact CG2-CB 4.47Å; V199-F364 HydrophobicContact CG2-CD1 4.49Å; V199-F364 HydrophobicContact CG2-CD2 3.55Å; V199-F364 HydrophobicContact CG2-CE2 3.76Å; V199-F364 HydrophobicContact CG2-CG 3.94Å; V199-F364 HydrophobicContact CG2-CZ 4.33Å; L202-F364 HydrophobicContact CD2-CE2 4.03Å; L202-F364 HydrophobicContact CD2-CZ 4.16Å; V209-F364 HydrophobicContact CG1-CD2 3.8Å; V209-F364 HydrophobicContact CG1-CE2 3.84Å; L210-F364 PolarHBondContact O-N 2.93Å; V211-F364 WeakPolarHBondContact CA-O 3.35Å; V211-F364 HydrophobicContact CG1-CB 4.38Å; V211-F364 HydrophobicContact CG1-CD2 4.37Å; N212-F364 PolarHBondContact N-O 2.99Å; N212-F364 PolarHBondContact OD1-O 3.04Å; Y328-F364 WeakPolarHBondContact O-CA 3.03Å; V329-F364 HydrophobicContact CG1-CD1 4.49Å; V329-F364 HydrophobicContact CG1-CE1 4.18Å; V329-F364 HydrophobicContact CG2-CD1 4.13Å; V329-F364 HydrophobicContact CG2-CE1 4.04Å; K362-F364 HydrophobicContact CB-CD2 4.49Å; K362-F364 HydrophobicContact CB-CE2 3.66Å; K362-F364 HydrophobicContact CB-CZ 4.02Å; K362-F364 HydrophobicContact CD-CZ 4.15Å; K362-F364 HydrophobicContact CG-CE2 4.36Å; K362-F364 HydrophobicContact CG-CZ 4.3Å
365	H	96.6	Very high	88.3	Confident	0 Å²	0	34.2 Å²	34.2	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	135.4	170.9	175.1	56	0	0	0	110	S79 I83 N212 S327 Y328 L330	S79-H365 PolarHBondContact N-NE2 3.03Å; S79-H365 VanDerWaalsContact N-NE2 3.15Å; I83-H365 HydrophobicContact CD1-CB 4.41Å; I83-H365 HydrophobicContact CG1-CB 4.25Å; N212-H365 PolarHBondContact ND2-ND1 3Å; N212-H365 WeakPolarHBondContact OD1-CB 3.46Å; S327-H365 CarbonylContact C-O 3.51Å; S327-H365 WeakPolarHBondContact CA-O 3.33Å; Y328-H365 AromaticContact CD2-CD2 3.86Å; Y328-H365 PolarHBondContact N-O 3.45Å; Y328-H365 PolarHBondContact O-N 2.85Å; L330-H365 HydrophobicContact CD1-CB 3.86Å; L330-H365 HydrophobicContact CD2-CB 4.24Å; L330-H365 HydrophobicContact CG-CB 4.05Å
366	K	94.1	Very high	87.5	Confident	33 Å²	33	29.1 Å²	29.1	14%	0.143	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.9	166.4	-170.6	165.5	176.2	-178.4	0	109.9	I195 V196 D197 L198 G326	I195-K366 VanDerWaalsContact CD1-O 3.23Å; I195-K366 WeakPolarHBondContact CD1-O 3.35Å; I195-K366 HydrophobicContact CG2-CB 4Å; I195-K366 HydrophobicContact CG2-CD 3.93Å; I195-K366 HydrophobicContact CG2-CG 4.06Å; V196-K366 PolarHBondContact O-NZ 2.82Å; D197-K366 PolarHBondContact O-NZ 3.38Å; L198-K366 HydrophobicContact CD1-CB 3.35Å; L198-K366 HydrophobicContact CD1-CD 4.35Å; G326-K366 VanDerWaalsContact O-CA 3.26Å; G326-K366 WeakPolarHBondContact O-CA 3.46Å
367	A	92.2	Very high	86.2	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	145.4	173	0	0	0	0	0	109.1	F77 S325 G326 F418	F77-A367 HydrophobicContact CD1-CB 3.78Å; F77-A367 HydrophobicContact CE1-CB 3.96Å; S325-A367 CarbonylContact C-O 3.59Å; S325-A367 WeakPolarHBondContact CA-O 3.46Å; S325-A367 WeakPolarHBondContact CB-O 3.4Å; G326-A367 PolarHBondContact N-O 2.84Å; G326-A367 PolarHBondContact O-N 2.85Å; A367-F418 HydrophobicContact CB-CD1 4.23Å; A367-F418 HydrophobicContact CB-CE1 4Å
368	T	90.4	Very high	84.4	Confident	31 Å²	31	21.4 Å²	21.4	19%	0.19	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	140.4	176.3	55.3	0	0	0	0	108.7	I195 I324	I195-T368 HydrophobicContact CG1-CG2 4.17Å; I324-T368 CarbonylContact O-C 3.59Å; I324-T368 VanDerWaalsContact O-CA 3.29Å; I324-T368 WeakPolarHBondContact O-CA 3.47Å
369	L	89	Confident	82.3	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.021	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	120.2	171.8	174.8	70.3	0	0	0	109.1	F77 S323 I324 V371 T376 V406 I408	F77-L369 HydrophobicContact CD1-CB 4.12Å; F77-L369 HydrophobicContact CE1-CB 3.4Å; F77-L369 HydrophobicContact CE2-CB 3.96Å; F77-L369 HydrophobicContact CE2-CD2 3.73Å; F77-L369 HydrophobicContact CE2-CG 4.45Å; F77-L369 HydrophobicContact CZ-CB 3.31Å; F77-L369 HydrophobicContact CZ-CD1 4.46Å; F77-L369 HydrophobicContact CZ-CD2 3.78Å; F77-L369 HydrophobicContact CZ-CG 4.04Å; S323-L369 WeakPolarHBondContact CA-O 3.27Å; I324-L369 HydrophobicContact CD1-CB 4.47Å; I324-L369 HydrophobicContact CD1-CD2 4.35Å; I324-L369 HydrophobicContact CG1-CB 3.98Å; I324-L369 PolarHBondContact N-O 3.3Å; I324-L369 PolarHBondContact O-N 3.02Å; L369-V371 HydrophobicContact CD1-CG2 4.41Å; L369-V371 HydrophobicContact CD2-CG2 3.98Å; L369-V371 HydrophobicContact CG-CG2 3.93Å; L369-T376 HydrophobicContact CD1-CG2 3.55Å; L369-V406 HydrophobicContact CD2-CG1 4.24Å; L369-I408 HydrophobicContact CD1-CD1 3.75Å; L369-I408 HydrophobicContact CD2-CD1 4.14Å
370	D	89.6	Confident	80.5	Confident	37 Å²	37	23.8 Å²	23.8	20%	0.198	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134	167.2	-60.3	-43.2	0	0	0	107.9	K194 S323 T376	K194-D370 IonicContact NZ-OD2 2.76Å; K194-D370 PolarHBondContact NZ-OD2 3.18Å; S323-D370 VanDerWaalsContact CB-OD1 3.25Å; S323-D370 WeakPolarHBondContact CB-OD1 3.42Å; S323-D370 PolarHBondContact OG-OD1 2.87Å; D370-T376 WeakPolarHBondContact O-CA 3.47Å; D370-T376 VanDerWaalsContact O-CB 3.3Å; D370-T376 WeakPolarHBondContact O-CB 3.38Å; D370-T376 VanDerWaalsContact O-CG2 3.31Å; D370-T376 WeakPolarHBondContact O-CG2 3.42Å
371	V	92.1	Very high	79	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.012	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.3	171.5	177.9	0	0	0	0	108.8	W220 M247 F319 R321 F322 L369	W220-V371 HydrophobicContact CZ2-CG1 3.95Å; M247-V371 HydrophobicContact CE-CG1 4.13Å; F319-V371 HydrophobicContact CD1-CG1 4.21Å; F319-V371 HydrophobicContact CE1-CG1 3.8Å; R321-V371 WeakPolarHBondContact CA-O 3.33Å; R321-V371 WeakPolarHBondContact CG-O 3.16Å; F322-V371 HydrophobicContact CD1-CB 4.31Å; F322-V371 HydrophobicContact CE1-CB 4.03Å; F322-V371 HydrophobicContact CE1-CG1 4.45Å; F322-V371 HydrophobicContact CE1-CG2 4.02Å; F322-V371 HydrophobicContact CE2-CG2 4.03Å; F322-V371 HydrophobicContact CZ-CB 4.16Å; F322-V371 HydrophobicContact CZ-CG2 3.67Å; F322-V371 PolarHBondContact N-O 2.68Å; F322-V371 VanDerWaalsContact N-O 3.14Å; F322-V371 PolarHBondContact O-N 2.98Å; L369-V371 HydrophobicContact CD1-CG2 4.41Å; L369-V371 HydrophobicContact CD2-CG2 3.98Å; L369-V371 HydrophobicContact CG-CG2 3.93Å
372	D	91.5	Very high	76.8	Confident	12 Å²	12	31.9 Å²	31.9	6%	0.064	21%	0.212	C	C	.	.			trans	-133.5	-173.5	177.2	72.2	24.7	0	0	0	112.6	W220 M247 R321 A374 G375 E377 A378	W220-D372 PolarHBondContact NE1-O 3.45Å; M247-D372 VanDerWaalsContact SD-C 3.52Å; R321-D372 HydrophobicContact CG-CB 4.48Å; D372-A374 VanDerWaalsContact C-N 3.3Å; D372-A374 PolarHBondContact O-N 3.38Å; D372-A374 WeakPolarHBondContact OD1-CA 3.43Å; D372-A374 PolarHBondContact OD1-N 2.95Å; D372-G375 PolarHBondContact N-O 3.45Å; D372-G375 PolarHBondContact OD1-N 3.27Å; D372-G375 VanDerWaalsContact OD1-O 3.13Å; D372-E377 VanDerWaalsContact OD2-C 3.28Å; D372-A378 VanDerWaalsContact OD2-CA 3.23Å; D372-A378 WeakPolarHBondContact OD2-CA 3.39Å; D372-A378 PolarHBondContact OD2-N 3.15Å
373	E	92.9	Very high	74.1	Confident	19 Å²	19	33.1 Å²	33.1	9%	0.089	24%	0.238	C	C	.	.	S	Bend	trans	-65.3	-30.3	-176.9	-67.9	90.6	159.2	0	0	113.9	P223 F224 T229 M247 R321	P223-E373 CarbonylContact C-O 3.56Å; P223-E373 WeakPolarHBondContact CA-O 3.31Å; P223-E373 VanDerWaalsContact CB-O 3.27Å; P223-E373 WeakPolarHBondContact CB-O 3.44Å; F224-E373 HydrophobicContact CB-CB 3.92Å; F224-E373 HydrophobicContact CB-CG 3.89Å; F224-E373 PolarHBondContact N-O 3.28Å; T229-E373 WeakPolarHBondContact CB-OE1 3.27Å; T229-E373 PolarHBondContact OG1-OE1 3.07Å; M247-E373 HydrophobicContact CG-CG 4.15Å; M247-E373 HydrophobicContact SD-CB 4.3Å; M247-E373 HydrophobicContact SD-CG 3.69Å; M247-E373 PolarHBondContact SD-N 3.48Å; R321-E373 IonicContact CZ-OE2 3.41Å; R321-E373 IonicContact NE-OE2 3.58Å; R321-E373 IonicContact NH1-OE1 3.8Å; R321-E373 IonicContact NH1-OE2 2.75Å; R321-E373 PolarHBondContact NH1-OE2 3.33Å
374	A	88.9	Confident	71.2	Confident	10 Å²	10	40.4 Å²	40.4	8%	0.083	27%	0.269	C	S	.	.	S	Bend	trans	-89.2	-32.5	-177.7	0	0	0	0	0	112.2	L219 W220 D372 A379 A381	L219-A374 HydrophobicContact CD2-CB 4.42Å; W220-A374 VanDerWaalsContact CD1-C 3.43Å; W220-A374 PolarHBondContact N-O 2.95Å; D372-A374 VanDerWaalsContact C-N 3.3Å; D372-A374 PolarHBondContact O-N 3.38Å; D372-A374 WeakPolarHBondContact OD1-CA 3.43Å; D372-A374 PolarHBondContact OD1-N 2.95Å; A374-A379 WeakPolarHBondContact CB-O 3.41Å; A374-A381 HydrophobicContact CB-CB 4.47Å
375	G	85.4	Confident	68.4	Low	0 Å²	0	44.2 Å²	44.2	0%	0	30%	0.303	C	S	.	.	B	Isolated β-bridge	trans	163.5	-135.7	-174	0	0	0	0	0	113.1	A218 W220 D372	A218-G375 CarbonylContact O-C 3.58Å; A218-G375 VanDerWaalsContact O-CA 3.26Å; A218-G375 WeakPolarHBondContact O-CA 3.41Å; W220-G375 VanDerWaalsContact CD1-N 3.26Å; D372-G375 PolarHBondContact N-O 3.45Å; D372-G375 PolarHBondContact OD1-N 3.27Å; D372-G375 VanDerWaalsContact OD1-O 3.13Å
376	T	73.4	Confident	65.5	Low	4 Å²	4	48 Å²	48	3%	0.025	33%	0.326	C	S	.	.	S	Bend	trans	-108.5	29	174.5	57.3	0	0	0	0	113.4	F216 A218 Y271 L369 D370	F216-T376 HydrophobicContact CD1-CG2 4.4Å; F216-T376 WeakPolarHBondContact CD1-OG1 3.31Å; F216-T376 HydrophobicContact CE1-CG2 4.03Å; F216-T376 WeakPolarHBondContact CE1-OG1 3.41Å; A218-T376 WeakPolarHBondContact CB-OG1 3.33Å; A218-T376 PolarHBondContact N-OG1 3.17Å; A218-T376 PolarHBondContact O-N 3.25Å; A218-T376 PolarHBondContact O-OG1 3.31Å; Y271-T376 HydrophobicContact CE1-CG2 3.76Å; Y271-T376 WeakPolarHBondContact OH-CG2 3.18Å; L369-T376 HydrophobicContact CD1-CG2 3.55Å; D370-T376 WeakPolarHBondContact O-CA 3.47Å; D370-T376 VanDerWaalsContact O-CB 3.3Å; D370-T376 WeakPolarHBondContact O-CB 3.38Å; D370-T376 VanDerWaalsContact O-CG2 3.31Å; D370-T376 WeakPolarHBondContact O-CG2 3.42Å
377	E	60.9	Low	63.1	Low	36 Å²	36	54.2 Å²	54.2	17%	0.168	35%	0.353	C	S	.	.	S	Bend	trans	-156.5	140.6	163.5	-161.7	-173.5	-125.7	0	0	111.1	Y215 K217 D372 A379	Y215-E377 PolarHBondContact OH-OE1 3.42Å; K217-E377 HydrophobicContact CB-CB 4.4Å; K217-E377 HydrophobicContact CD-CB 4.37Å; K217-E377 VanDerWaalsContact CD-CD 3.49Å; K217-E377 WeakPolarHBondContact CD-OE2 3.32Å; K217-E377 WeakPolarHBondContact CE-OE2 3.41Å; K217-E377 HydrophobicContact CG-CB 3.83Å; K217-E377 HydrophobicContact CG-CG 4.45Å; K217-E377 IonicContact NZ-OE2 3.56Å; K217-E377 PolarHBondContact NZ-OE2 3.45Å; D372-E377 VanDerWaalsContact OD2-C 3.28Å; E377-A379 VanDerWaalsContact C-N 3.34Å; E377-A379 PolarHBondContact O-N 2.66Å
378	A	45.6	Very low	60.6	Low	78 Å²	78	62.9 Å²	62.9	65%	0.645	39%	0.392	S	S	*	.			trans	-64.6	87.3	177.4	0	0	0	0	0	111.8	D372	D372-A378 VanDerWaalsContact OD2-CA 3.23Å; D372-A378 WeakPolarHBondContact OD2-CA 3.39Å; D372-A378 PolarHBondContact OD2-N 3.15Å
379	A	39.6	Very low	58.3	Low	51 Å²	51	68 Å²	68	42%	0.421	41%	0.411	S	S	.	.			trans	-123.6	118.5	161.6	0	0	0	0	0	107.8	A374 E377 A381	A374-A379 WeakPolarHBondContact CB-O 3.41Å; E377-A379 VanDerWaalsContact C-N 3.34Å; E377-A379 PolarHBondContact O-N 2.66Å; A379-A381 PolarHBondContact O-N 3.2Å
380	A	35.8	Very low	56.4	Low	93 Å²	93	73.8 Å²	73.8	77%	0.769	45%	0.452	S	S	*	.			trans	-54	110.6	174.5	0	0	0	0	0	109.1	T382	A380-T382 PolarHBondContact O-N 3.13Å
381	A	34.1	Very low	54.3	Low	62 Å²	62	76.7 Å²	76.7	51%	0.512	48%	0.482	S	S	.	.			trans	-70.2	82.4	167.8	0	0	0	0	0	108	A374 A379 G383	A374-A381 HydrophobicContact CB-CB 4.47Å; A379-A381 PolarHBondContact O-N 3.2Å; A381-G383 PolarHBondContact O-N 3.38Å
382	T	35.1	Very low	52.4	Low	136 Å²	136	81.3 Å²	81.3	83%	0.834	50%	0.503	S	S	*	.			trans	-64.1	114	167.9	14.7	0	0	0	0	109.2	A380	A380-T382 PolarHBondContact O-N 3.13Å
383	G	36.3	Very low	50.9	Low	73 Å²	73	87.2 Å²	87.2	75%	0.753	54%	0.54	S	S	*	.			trans	86.4	69.9	152.9	0	0	0	0	0	116.6	A381	A381-G383 PolarHBondContact O-N 3.38Å
384	F	35	Very low	49.4	Very low	154 Å²	154	87.6 Å²	87.6	68%	0.675	54%	0.542	S	S	*	.			trans	-98.7	128.6	148.9	-78.6	-81	0	0	0	109.3	P223 V386	P223-F384 HydrophobicContact CG-CE2 4.34Å; F384-V386 PolarHBondContact O-N 3.4Å; F384-V386 VanDerWaalsContact O-N 3.15Å
385	A	37.2	Very low	48.8	Very low	93 Å²	93	98.3 Å²	98.3	77%	0.769	58%	0.58	S	S	*	*			trans	-58.4	116.9	176.9	0	0	0	0	0	109.8	K387	A385-K387 PolarHBondContact O-N 2.91Å
386	V	37.4	Very low	49.1	Very low	79 Å²	79	102.1 Å²	102.1	48%	0.479	60%	0.598	S	S	.	*			trans	-67.5	97.8	174.9	-173.4	0	0	0	0	107.9	F384 F388	F384-V386 PolarHBondContact O-N 3.4Å; F384-V386 VanDerWaalsContact O-N 3.15Å; V386-F388 HydrophobicContact CB-CD2 4.39Å; V386-F388 HydrophobicContact CB-CE2 3.98Å; V386-F388 HydrophobicContact CB-CZ 4.39Å; V386-F388 HydrophobicContact CG1-CD1 4.18Å; V386-F388 HydrophobicContact CG1-CD2 3.75Å; V386-F388 HydrophobicContact CG1-CE1 3.89Å; V386-F388 HydrophobicContact CG1-CE2 3.43Å; V386-F388 VanDerWaalsContact CG1-CE2 3.43Å; V386-F388 HydrophobicContact CG1-CG 4.12Å; V386-F388 HydrophobicContact CG1-CZ 3.51Å; V386-F388 PolarHBondContact O-N 3.2Å
387	K	41.7	Very low	50.1	Low	164 Å²	164	105.1 Å²	105.1	71%	0.713	62%	0.617	S	S	*	*			trans	-81.6	100.6	165.8	-72.5	-172.2	-178.6	178.5	0	107.9	A385 F389	A385-K387 PolarHBondContact O-N 2.91Å; K387-F389 HydrophobicContact CB-CD2 3.97Å; K387-F389 HydrophobicContact CB-CE2 3.74Å; K387-F389 HydrophobicContact CD-CE2 3.92Å; K387-F389 HydrophobicContact CG-CE2 4.35Å; K387-F389 PolarHBondContact O-N 3.45Å; K387-F389 VanDerWaalsContact O-N 3.1Å
388	F	39.6	Very low	51.9	Low	183 Å²	183	103.8 Å²	103.8	80%	0.803	61%	0.61	S	S	*	*			trans	-70.9	98.7	172	-69.5	-84.8	0	0	0	109.8	V386	V386-F388 HydrophobicContact CB-CD2 4.39Å; V386-F388 HydrophobicContact CB-CE2 3.98Å; V386-F388 HydrophobicContact CB-CZ 4.39Å; V386-F388 HydrophobicContact CG1-CD1 4.18Å; V386-F388 HydrophobicContact CG1-CD2 3.75Å; V386-F388 HydrophobicContact CG1-CE1 3.89Å; V386-F388 HydrophobicContact CG1-CE2 3.43Å; V386-F388 VanDerWaalsContact CG1-CE2 3.43Å; V386-F388 HydrophobicContact CG1-CG 4.12Å; V386-F388 HydrophobicContact CG1-CZ 3.51Å; V386-F388 PolarHBondContact O-N 3.2Å
389	F	43.9	Very low	54.4	Low	137 Å²	137	106.2 Å²	106.2	60%	0.601	60%	0.603	S	S	*	*			trans	-113.1	71.3	164.2	-66.7	-70.1	0	0	0	109.2	K387 A391	K387-F389 HydrophobicContact CB-CD2 3.97Å; K387-F389 HydrophobicContact CB-CE2 3.74Å; K387-F389 HydrophobicContact CD-CE2 3.92Å; K387-F389 HydrophobicContact CG-CE2 4.35Å; K387-F389 PolarHBondContact O-N 3.45Å; K387-F389 VanDerWaalsContact O-N 3.1Å; F389-A391 PolarHBondContact O-N 3.36Å
390	S	47.8	Very low	57.2	Low	127 Å²	127	103.8 Å²	103.8	89%	0.888	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	73.9	170.8	172.1	0	0	0	0	109.9
391	A	45.8	Very low	60.2	Low	98 Å²	98	100.8 Å²	100.8	81%	0.81	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.3	23.4	170.1	0	0	0	0	0	113.5	F389	F389-A391 PolarHBondContact O-N 3.36Å
392	Q	52.7	Low	63.2	Low	98 Å²	98	100.8 Å²	100.8	46%	0.458	54%	0.541	S	S	.	.			trans	-115.4	103.3	-175.8	-165.4	117.6	77.8	0	0	110.7	N394	Q392-N394 PolarHBondContact O-N 2.8Å
393	T	59.1	Low	66.2	Low	137 Å²	137	95.5 Å²	95.5	84%	0.84	51%	0.509	S	S	*	.			trans	-78.6	106.7	173.8	34.1	0	0	0	0	110.2
394	N	62.8	Low	69.2	Low	27 Å²	27	92 Å²	92	14%	0.144	47%	0.473	C	S	.	.			trans	-79.3	127.9	170.3	-73.8	-28.6	0	0	0	109.9	D250 E316 Q392	D250-N394 PolarHBondContact O-ND2 2.89Å; E316-N394 HydrophobicContact CB-CB 4.19Å; Q392-N394 PolarHBondContact O-N 2.8Å
395	R	75.5	Confident	72.2	Confident	234 Å²	234	84.7 Å²	84.7	88%	0.883	44%	0.441	S	S	*	.	S	Bend	trans	-86.3	-10.4	175.5	-68.2	-175.4	175.2	172.2	-1.8	113.3
396	H	91.3	Very high	75.1	Confident	81 Å²	81	80.2 Å²	80.2	38%	0.375	40%	0.404	S	S	.	.			trans	-120.2	125.7	-175.9	-57.5	-57.9	0	0	0	109.6	Y256 L315 E316	Y256-H396 WeakPolarHBondContact OH-CB 3.5Å; Y256-H396 PolarHBondContact OH-CD2 3Å; Y256-H396 VanDerWaalsContact OH-CD2 3.31Å; L315-H396 HydrophobicContact CD1-CB 4.11Å; E316-H396 PolarHBondContact N-O 3.23Å
397	V	95.8	Very high	78	Confident	67 Å²	67	76.5 Å²	76.5	41%	0.406	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	136.6	-179.9	-174.3	0	0	0	0	107.9	E316 R399	E316-V397 HydrophobicContact CB-CB 4.5Å; E316-V397 HydrophobicContact CB-CG1 4.42Å; E316-V397 HydrophobicContact CB-CG2 4.14Å; E316-V397 HydrophobicContact CG-CG1 4.48Å; E316-V397 WeakPolarHBondContact O-CA 3.29Å; V397-R399 HydrophobicContact CG1-CG 3.94Å
398	L	97.6	Very high	80.6	Confident	8 Å²	8	68.7 Å²	68.7	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	122.6	173.3	-165.5	145.6	0	0	0	109	Y256 L281 L315 E316 L317 H318 F400	Y256-L398 HydrophobicContact CD2-CD1 4.39Å; L281-L398 HydrophobicContact CD2-CD2 4.09Å; L281-L398 HydrophobicContact CD2-CG 4.31Å; L315-L398 HydrophobicContact CD1-CB 3.78Å; L315-L398 HydrophobicContact CD2-CB 4.15Å; L315-L398 HydrophobicContact CG-CB 4.37Å; E316-L398 PolarHBondContact O-N 2.77Å; L317-L398 HydrophobicContact CD1-CD2 4.27Å; H318-L398 PolarHBondContact N-O 3.11Å; L398-F400 HydrophobicContact CD2-CD2 3.46Å; L398-F400 VanDerWaalsContact CD2-CD2 3.46Å; L398-F400 HydrophobicContact CD2-CE2 2.98Å; L398-F400 HydrophobicContact CD2-CG 4.46Å; L398-F400 HydrophobicContact CD2-CZ 3.62Å; L398-F400 HydrophobicContact CG-CE2 4.48Å
399	R	98.3	Very high	83.3	Confident	128 Å²	128	60.2 Å²	60.2	48%	0.483	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	115.7	-173.9	-56.5	-173.6	175.5	168.2	0.2	109.7	L281 H318 V397 N401	L281-R399 VanDerWaalsContact CD2-O 3.31Å; L281-R399 WeakPolarHBondContact CD2-O 3.2Å; H318-R399 HydrophobicContact CB-CB 4.23Å; H318-R399 HydrophobicContact CB-CG 4Å; V397-R399 HydrophobicContact CG1-CG 3.94Å; R399-N401 HydrophobicContact CB-CB 4.48Å; R399-N401 PolarHBondContact O-N 3.1Å; R399-N401 VanDerWaalsContact O-N 3.12Å; R399-N401 PolarHBondContact O-OD1 3.39Å
400	F	98.4	Very high	85.6	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.283	C	S	.	.			trans	-85.2	66.5	170.5	-75	-91.4	0	0	0	109.9	F234 L267 F279 L281 L317 H318 F319 P320 L398 F404	F234-F400 WeakPolarHBondContact CE2-O 2.97Å; L267-F400 HydrophobicContact CB-CE2 4.13Å; L267-F400 HydrophobicContact CB-CZ 3.93Å; L267-F400 HydrophobicContact CD2-CE2 3.6Å; L267-F400 HydrophobicContact CD2-CZ 4.12Å; F279-F400 HydrophobicContact CB-CE1 3.5Å; F279-F400 HydrophobicContact CB-CE2 4.31Å; F279-F400 HydrophobicContact CB-CZ 3.38Å; F279-F400 HydrophobicContact CG-CE1 4.49Å; F279-F400 HydrophobicContact CG-CZ 4.39Å; L281-F400 HydrophobicContact CB-CD1 4.16Å; L281-F400 HydrophobicContact CB-CE1 3.65Å; L281-F400 HydrophobicContact CB-CZ 4.17Å; L281-F400 HydrophobicContact CD1-CD1 4.06Å; L281-F400 HydrophobicContact CD1-CE1 4.41Å; L281-F400 HydrophobicContact CD2-CD1 4.47Å; L281-F400 HydrophobicContact CG-CD1 4.45Å; L281-F400 HydrophobicContact CG-CE1 4.41Å; L317-F400 HydrophobicContact CD1-CD2 3.98Å; L317-F400 HydrophobicContact CD1-CE2 3.98Å; H318-F400 PolarHBondContact O-N 3.41Å; F319-F400 HydrophobicContact CD2-CB 3.98Å; F319-F400 HydrophobicContact CD2-CD1 4.49Å; F319-F400 AromaticContact CD2-CD2 3.36Å; F319-F400 HydrophobicContact CD2-CD2 3.36Å; F319-F400 AromaticContact CD2-CE2 3.85Å; F319-F400 HydrophobicContact CD2-CE2 3.85Å; F319-F400 AromaticContact CD2-CG 3.71Å; F319-F400 HydrophobicContact CD2-CG 3.71Å; F319-F400 HydrophobicContact CE2-CB 4.13Å; F319-F400 HydrophobicContact CE2-CD1 4.01Å; F319-F400 AromaticContact CE2-CD2 3.64Å; F319-F400 HydrophobicContact CE2-CD2 3.64Å; F319-F400 HydrophobicContact CE2-CE1 4.32Å; F319-F400 AromaticContact CE2-CE2 3.91Å; F319-F400 HydrophobicContact CE2-CE2 3.91Å; F319-F400 AromaticContact CE2-CG 3.66Å; F319-F400 HydrophobicContact CE2-CG 3.66Å; F319-F400 HydrophobicContact CE2-CZ 4.28Å; P320-F400 WeakPolarHBondContact CD-O 3.17Å; P320-F400 HydrophobicContact CG-CB 4.45Å; L398-F400 HydrophobicContact CD2-CD2 3.46Å; L398-F400 VanDerWaalsContact CD2-CD2 3.46Å; L398-F400 HydrophobicContact CD2-CE2 2.98Å; L398-F400 HydrophobicContact CD2-CG 4.46Å; L398-F400 HydrophobicContact CD2-CZ 3.62Å; L398-F400 HydrophobicContact CG-CE2 4.48Å; F400-F404 HydrophobicContact CB-CD1 4.38Å; F400-F404 HydrophobicContact CB-CE1 4.43Å; F400-F404 HydrophobicContact CD1-CB 3.79Å; F400-F404 AromaticContact CD1-CD1 3.91Å; F400-F404 HydrophobicContact CD1-CD1 3.91Å; F400-F404 AromaticContact CD1-CD2 3.93Å; F400-F404 HydrophobicContact CD1-CD2 3.93Å; F400-F404 HydrophobicContact CD1-CE1 4.48Å; F400-F404 HydrophobicContact CD1-CE2 4.49Å; F400-F404 AromaticContact CD1-CG 3.61Å; F400-F404 HydrophobicContact CD1-CG 3.61Å; F400-F404 HydrophobicContact CE1-CB 4.05Å; F400-F404 HydrophobicContact CE1-CD2 4.23Å; F400-F404 HydrophobicContact CE1-CG 4.16Å
401	N	98	Very high	87.6	Confident	31 Å²	31	50 Å²	50	17%	0.166	25%	0.254	C	S	.	.			trans	-113.2	22	-177.7	68.2	-24.4	0	0	0	112.9	D233 F234 Y235 M246 R399	D233-N401 WeakPolarHBondContact O-CB 3.46Å; F234-N401 CarbonylContact C-O 3.56Å; F234-N401 WeakPolarHBondContact CA-O 3.33Å; Y235-N401 VanDerWaalsContact CD2-O 3.27Å; Y235-N401 WeakPolarHBondContact CD2-O 3.27Å; Y235-N401 WeakPolarHBondContact CE2-ND2 3.36Å; Y235-N401 PolarHBondContact N-O 2.99Å; M246-N401 HydrophobicContact CE-CB 4.19Å; R399-N401 HydrophobicContact CB-CB 4.48Å; R399-N401 PolarHBondContact O-N 3.1Å; R399-N401 VanDerWaalsContact O-N 3.12Å; R399-N401 PolarHBondContact O-OD1 3.39Å
402	R	97.9	Very high	89.6	Confident	61 Å²	61	47.8 Å²	47.8	23%	0.23	23%	0.232	C	C	.	.	S	Bend	trans	-154.4	169.1	176.7	68.8	177.2	177	-79.9	3.5	109.1	F234 Y235 L281 P282 F404	F234-R402 VanDerWaalsContact CZ-O 3.25Å; F234-R402 WeakPolarHBondContact CZ-O 3.19Å; Y235-R402 WeakPolarHBondContact O-CA 3.31Å; L281-R402 HydrophobicContact CD1-CG 3.78Å; P282-R402 VanDerWaalsContact O-CZ 3.26Å; P282-R402 PolarHBondContact O-NE 3.22Å; P282-R402 PolarHBondContact O-NH2 3.35Å; R402-F404 WeakPolarHBondContact O-CD1 3.28Å; R402-F404 PolarHBondContact O-N 2.95Å
403	P	98.2	Very high	91.4	Very high	25 Å²	25	43.1 Å²	43.1	16%	0.162	21%	0.211	C	C	.	.			trans	-50.8	135.3	-175.6	-31.5	34.7	0	0	0	114.5	Y235 V236 M287 V422 V423	Y235-P403 WeakPolarHBondContact O-CD 3.25Å; V236-P403 VanDerWaalsContact O-CG 3.31Å; V236-P403 WeakPolarHBondContact O-CG 3.32Å; M287-P403 VanDerWaalsContact CE-C 3.42Å; M287-P403 HydrophobicContact CE-CB 3.47Å; M287-P403 VanDerWaalsContact CE-CB 3.47Å; M287-P403 WeakPolarHBondContact CE-O 3.28Å; P403-V422 WeakPolarHBondContact CA-O 3.3Å; P403-V423 HydrophobicContact CG-CG1 4.16Å
404	F	98.5	Very high	93	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	160.9	-177.7	64.6	-88.2	0	0	0	111.5	F234 F279 I280 L281 F319 P320 F322 F400 R402 V406 K421 V422	F234-F404 HydrophobicContact CE2-CD1 4.28Å; F234-F404 AromaticContact CE2-CE1 3.99Å; F234-F404 HydrophobicContact CE2-CE1 3.99Å; F234-F404 HydrophobicContact CZ-CD1 4.25Å; F234-F404 HydrophobicContact CZ-CE1 4.2Å; F279-F404 HydrophobicContact CD1-CD2 4.12Å; F279-F404 AromaticContact CD1-CE2 3.88Å; F279-F404 HydrophobicContact CD1-CE2 3.88Å; F279-F404 HydrophobicContact CE1-CE2 4.26Å; I280-F404 WeakPolarHBondContact O-CA 3.4Å; I280-F404 WeakPolarHBondContact O-CB 3.4Å; L281-F404 HydrophobicContact CD1-CB 4.09Å; F319-F404 HydrophobicContact CZ-CE2 4.08Å; F319-F404 HydrophobicContact CZ-CZ 4.19Å; P320-F404 HydrophobicContact CG-CE1 3.97Å; P320-F404 HydrophobicContact CG-CZ 4.13Å; F322-F404 HydrophobicContact CE1-CE2 4.39Å; F322-F404 AromaticContact CE1-CZ 3.68Å; F322-F404 HydrophobicContact CE1-CZ 3.68Å; F322-F404 HydrophobicContact CZ-CE2 4.31Å; F322-F404 AromaticContact CZ-CZ 3.92Å; F322-F404 HydrophobicContact CZ-CZ 3.92Å; F400-F404 HydrophobicContact CB-CD1 4.38Å; F400-F404 HydrophobicContact CB-CE1 4.43Å; F400-F404 HydrophobicContact CD1-CB 3.79Å; F400-F404 AromaticContact CD1-CD1 3.91Å; F400-F404 HydrophobicContact CD1-CD1 3.91Å; F400-F404 AromaticContact CD1-CD2 3.93Å; F400-F404 HydrophobicContact CD1-CD2 3.93Å; F400-F404 HydrophobicContact CD1-CE1 4.48Å; F400-F404 HydrophobicContact CD1-CE2 4.49Å; F400-F404 AromaticContact CD1-CG 3.61Å; F400-F404 HydrophobicContact CD1-CG 3.61Å; F400-F404 HydrophobicContact CE1-CB 4.05Å; F400-F404 HydrophobicContact CE1-CD2 4.23Å; F400-F404 HydrophobicContact CE1-CG 4.16Å; R402-F404 WeakPolarHBondContact O-CD1 3.28Å; R402-F404 PolarHBondContact O-N 2.95Å; F404-V406 HydrophobicContact CD2-CG2 3.92Å; F404-V406 HydrophobicContact CE2-CG2 3.6Å; F404-K421 WeakPolarHBondContact O-CA 3.29Å; F404-V422 HydrophobicContact CD1-CB 4.16Å; F404-V422 HydrophobicContact CD2-CB 4.46Å; F404-V422 HydrophobicContact CE1-CB 3.72Å; F404-V422 HydrophobicContact CE1-CG1 3.82Å; F404-V422 HydrophobicContact CE1-CG2 4.3Å; F404-V422 HydrophobicContact CE2-CB 4.06Å; F404-V422 HydrophobicContact CE2-CG2 3.84Å; F404-V422 HydrophobicContact CZ-CB 3.66Å; F404-V422 HydrophobicContact CZ-CG1 3.94Å; F404-V422 HydrophobicContact CZ-CG2 3.71Å; F404-V422 PolarHBondContact N-O 2.97Å; F404-V422 VanDerWaalsContact N-O 3.07Å; F404-V422 PolarHBondContact O-N 2.99Å
405	L	98.5	Very high	94.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	151.5	177.6	-50.3	173.1	0	0	0	110.8	Y64 F279 I280 M287 I290 L294 G420 K421	Y64-L405 HydrophobicContact CE2-CD2 4.45Å; Y64-L405 WeakPolarHBondContact OH-CD2 3.33Å; F279-L405 WeakPolarHBondContact CA-O 3.45Å; I280-L405 HydrophobicContact CB-CB 4.09Å; I280-L405 HydrophobicContact CB-CD1 4.42Å; I280-L405 HydrophobicContact CD1-CB 4.07Å; I280-L405 PolarHBondContact N-O 3.28Å; I280-L405 PolarHBondContact O-N 3.09Å; M287-L405 HydrophobicContact SD-CD2 3.81Å; M287-L405 HydrophobicContact SD-CG 4.17Å; I290-L405 HydrophobicContact CG2-CD1 3.92Å; L294-L405 HydrophobicContact CD1-CD1 4.33Å; L294-L405 HydrophobicContact CD2-CD1 3.94Å; L405-G420 CarbonylContact C-O 3.54Å; L405-G420 WeakPolarHBondContact CA-O 3.39Å; L405-K421 HydrophobicContact CD2-CB 3.73Å; L405-K421 HydrophobicContact CD2-CD 4.06Å; L405-K421 HydrophobicContact CD2-CG 3.84Å
406	V	97.9	Very high	95.4	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	127.4	179.3	-174.4	0	0	0	0	108.9	V277 F279 L369 F404 I408 L419 G420 V422	V277-V406 HydrophobicContact CG1-CG1 3.76Å; F279-V406 HydrophobicContact CD1-CB 4.48Å; F279-V406 HydrophobicContact CD1-CG1 4.27Å; F279-V406 HydrophobicContact CD1-CG2 3.9Å; F279-V406 HydrophobicContact CE1-CB 4.44Å; F279-V406 HydrophobicContact CE1-CG1 3.86Å; F279-V406 HydrophobicContact CE1-CG2 3.9Å; L369-V406 HydrophobicContact CD2-CG1 4.24Å; F404-V406 HydrophobicContact CD2-CG2 3.92Å; F404-V406 HydrophobicContact CE2-CG2 3.6Å; V406-I408 HydrophobicContact CG1-CG1 4.21Å; V406-L419 CarbonylContact O-C 3.59Å; V406-L419 WeakPolarHBondContact O-CA 3.22Å; V406-G420 PolarHBondContact N-O 2.81Å; V406-G420 PolarHBondContact O-N 3.1Å; V406-V422 HydrophobicContact CG2-CG2 4.05Å
407	V	98.3	Very high	95.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	110.4	171.3	-169.3	0	0	0	0	108.4	V277 F278 I280 L299 V416 F418 L419	V277-V407 CarbonylContact C-O 3.52Å; V277-V407 WeakPolarHBondContact CA-O 3.31Å; F278-V407 HydrophobicContact CB-CB 4.25Å; F278-V407 PolarHBondContact N-O 2.84Å; F278-V407 PolarHBondContact O-N 2.85Å; I280-V407 HydrophobicContact CD1-CG2 3.76Å; L299-V407 HydrophobicContact CD1-CB 4.36Å; L299-V407 HydrophobicContact CD1-CG1 4.05Å; L299-V407 HydrophobicContact CD1-CG2 4.44Å; L299-V407 HydrophobicContact CD2-CG1 3.9Å; V407-V416 HydrophobicContact CG1-CG1 3.93Å; V407-V416 HydrophobicContact CG1-CG2 4.45Å; V407-F418 WeakPolarHBondContact CA-O 3.42Å; V407-L419 HydrophobicContact CG2-CD1 3.73Å
408	I	96.8	Very high	95.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	123.2	172	-53.2	-174.9	0	0	0	107.7	F216 Y271 V277 L369 V406 V416 L417 F418	F216-I408 HydrophobicContact CD1-CD1 4.46Å; F216-I408 HydrophobicContact CE1-CD1 4.1Å; F216-I408 HydrophobicContact CE1-CG2 4.35Å; F216-I408 HydrophobicContact CE2-CG2 4.25Å; F216-I408 HydrophobicContact CZ-CG2 3.86Å; Y271-I408 HydrophobicContact CE2-CG2 4.34Å; V277-I408 HydrophobicContact CG1-CG1 4.13Å; V277-I408 HydrophobicContact CG2-CG1 3.97Å; V277-I408 HydrophobicContact CG2-CG2 4.39Å; L369-I408 HydrophobicContact CD1-CD1 3.75Å; L369-I408 HydrophobicContact CD2-CD1 4.14Å; V406-I408 HydrophobicContact CG1-CG1 4.21Å; I408-V416 CarbonylContact O-C 3.59Å; I408-L417 HydrophobicContact CB-CB 4.41Å; I408-L417 HydrophobicContact CG2-CB 4.16Å; I408-L417 HydrophobicContact CG2-CD1 4.22Å; I408-L417 PolarHBondContact O-N 3.31Å; I408-F418 HydrophobicContact CB-CB 3.96Å; I408-F418 HydrophobicContact CB-CD2 4Å; I408-F418 HydrophobicContact CB-CG 4.48Å; I408-F418 HydrophobicContact CD1-CB 4.06Å; I408-F418 HydrophobicContact CD1-CD2 3.78Å; I408-F418 HydrophobicContact CD1-CG 4.16Å; I408-F418 HydrophobicContact CG1-CB 4.02Å; I408-F418 HydrophobicContact CG1-CD2 4.31Å; I408-F418 HydrophobicContact CG2-CD2 4.26Å; I408-F418 PolarHBondContact N-O 3.01Å; I408-F418 PolarHBondContact O-N 2.83Å
409	F	95.2	Very high	95.8	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.026	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.3	-169.9	-173.8	-100.5	0	0	0	110.8	A275 T276 F278 L299 T411 Q414 S415 V416	A275-F409 WeakPolarHBondContact CA-O 3.42Å; T276-F409 PolarHBondContact N-O 3.33Å; T276-F409 PolarHBondContact O-N 3.46Å; F278-F409 HydrophobicContact CD2-CB 4.34Å; F278-F409 HydrophobicContact CE2-CB 3.99Å; F278-F409 HydrophobicContact CE2-CD1 4.5Å; F278-F409 HydrophobicContact CE2-CG 4.34Å; L299-F409 HydrophobicContact CD2-CD2 4.1Å; L299-F409 HydrophobicContact CD2-CE2 4.36Å; F409-T411 HydrophobicContact CD1-CG2 4.33Å; F409-Q414 VanDerWaalsContact CE2-C 3.45Å; F409-Q414 WeakPolarHBondContact CE2-O 3.36Å; F409-Q414 VanDerWaalsContact CZ-C 3.47Å; F409-Q414 HydrophobicContact CZ-CB 3.95Å; F409-Q414 HydrophobicContact CZ-CG 4.49Å; F409-S415 WeakPolarHBondContact CA-O 3.46Å; F409-S415 WeakPolarHBondContact CD2-O 3.4Å; F409-V416 HydrophobicContact CD2-CG2 4.29Å
410	S	93.3	Very high	95.7	Very high	5 Å²	5	14.1 Å²	14.1	4%	0.035	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	119.3	172.6	175.3	0	0	0	0	109.7	D274 S412 T413 Q414 S415	D274-S410 WeakPolarHBondContact O-CA 3.03Å; S410-S412 PolarHBondContact OG-OG 3.14Å; S410-T413 WeakPolarHBondContact CB-OG1 3.3Å; S410-T413 PolarHBondContact OG-OG1 2.84Å; S410-Q414 VanDerWaalsContact O-CA 3.27Å; S410-Q414 WeakPolarHBondContact O-CA 3.37Å; S410-Q414 PolarHBondContact O-N 2.93Å; S410-S415 PolarHBondContact N-O 2.68Å; S410-S415 PolarHBondContact O-N 3.47Å
411	T	89.2	Confident	95.7	Very high	44 Å²	44	14.3 Å²	14.3	27%	0.27	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-26.9	-178.2	48.6	0	0	0	0	112.7	D274 F409 Q414	D274-T411 VanDerWaalsContact C-OG1 3.27Å; D274-T411 WeakPolarHBondContact CA-OG1 3.47Å; D274-T411 PolarHBondContact O-N 3.45Å; D274-T411 PolarHBondContact O-OG1 3.35Å; F409-T411 HydrophobicContact CD1-CG2 4.33Å; T411-Q414 PolarHBondContact O-NE2 3.31Å
412	S	88.9	Confident	95.7	Very high	51 Å²	51	12.9 Å²	12.9	36%	0.357	7%	0.069	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-38.3	179.2	56.9	0	0	0	0	112.5	S410	S410-S412 PolarHBondContact OG-OG 3.14Å
413	T	89.6	Confident	95.7	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.006	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106	-2.8	-176.3	52.9	0	0	0	0	114	L125 T128 I129 S410 S415	L125-T413 HydrophobicContact CG-CG2 4.12Å; T128-T413 HydrophobicContact CG2-CG2 3.72Å; I129-T413 HydrophobicContact CG2-CG2 4.03Å; S410-T413 WeakPolarHBondContact CB-OG1 3.3Å; S410-T413 PolarHBondContact OG-OG1 2.84Å; T413-S415 PolarHBondContact O-N 3.18Å; T413-S415 PolarHBondContact OG1-OG 2.85Å
414	Q	92	Very high	95.6	Very high	61 Å²	61	9.8 Å²	9.8	29%	0.285	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	36.5	-175.5	-60.9	-67.6	-60.1	0	0	113.2	L50 A53 F409 S410 T411	L50-Q414 HydrophobicContact CD2-CB 4.17Å; L50-Q414 HydrophobicContact CD2-CG 3.91Å; A53-Q414 HydrophobicContact CB-CB 4.44Å; F409-Q414 VanDerWaalsContact CE2-C 3.45Å; F409-Q414 WeakPolarHBondContact CE2-O 3.36Å; F409-Q414 VanDerWaalsContact CZ-C 3.47Å; F409-Q414 HydrophobicContact CZ-CB 3.95Å; F409-Q414 HydrophobicContact CZ-CG 4.49Å; S410-Q414 VanDerWaalsContact O-CA 3.27Å; S410-Q414 WeakPolarHBondContact O-CA 3.37Å; S410-Q414 PolarHBondContact O-N 2.93Å; T411-Q414 PolarHBondContact O-NE2 3.31Å
415	S	92.9	Very high	95.5	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.014	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	144.2	-173.8	54.8	0	0	0	0	112.6	F409 S410 T413 L417	F409-S415 WeakPolarHBondContact CA-O 3.46Å; F409-S415 WeakPolarHBondContact CD2-O 3.4Å; S410-S415 PolarHBondContact N-O 2.68Å; S410-S415 PolarHBondContact O-N 3.47Å; T413-S415 PolarHBondContact O-N 3.18Å; T413-S415 PolarHBondContact OG1-OG 2.85Å; S415-L417 PolarHBondContact O-N 3.42Å
416	V	96.9	Very high	95.3	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.03	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	105.1	173.3	-176.2	0	0	0	0	108.9	A60 P80 L299 V407 I408 F409 F418 L419	A60-V416 HydrophobicContact CB-CB 4.37Å; A60-V416 HydrophobicContact CB-CG1 4.44Å; P80-V416 HydrophobicContact CG-CB 4.4Å; P80-V416 HydrophobicContact CG-CG1 3.97Å; L299-V416 HydrophobicContact CD2-CG2 4.01Å; V407-V416 HydrophobicContact CG1-CG1 3.93Å; V407-V416 HydrophobicContact CG1-CG2 4.45Å; I408-V416 CarbonylContact O-C 3.59Å; F409-V416 HydrophobicContact CD2-CG2 4.29Å; V416-F418 WeakPolarHBondContact CG1-O 3.44Å; V416-L419 HydrophobicContact CG1-CB 4.12Å
417	L	95.9	Very high	94.8	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.01	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	-44.1	178.2	-61	-176.6	0	0	0	111	S79 L81 T138 F216 I408 S415	S79-L417 WeakPolarHBondContact CA-O 3.29Å; S79-L417 VanDerWaalsContact CB-O 3.27Å; S79-L417 WeakPolarHBondContact CB-O 3.38Å; S79-L417 PolarHBondContact OG-O 3.29Å; L81-L417 HydrophobicContact CD2-CD2 3.63Å; T138-L417 HydrophobicContact CG2-CD1 4.49Å; F216-L417 HydrophobicContact CD2-CD1 4.43Å; F216-L417 HydrophobicContact CE2-CD1 3.97Å; I408-L417 HydrophobicContact CB-CB 4.41Å; I408-L417 HydrophobicContact CG2-CB 4.16Å; I408-L417 HydrophobicContact CG2-CD1 4.22Å; I408-L417 PolarHBondContact O-N 3.31Å; S415-L417 PolarHBondContact O-N 3.42Å
418	F	97.6	Very high	93.4	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.009	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	148.9	177.2	-61.3	-93.8	0	0	0	111.4	F77 F78 I214 F216 A367 V407 I408 V416	F77-F418 HydrophobicContact CD1-CD1 4.38Å; F77-F418 HydrophobicContact CE1-CB 4.42Å; F77-F418 AromaticContact CE1-CD1 3.35Å; F77-F418 HydrophobicContact CE1-CD1 3.35Å; F77-F418 AromaticContact CE1-CE1 3.78Å; F77-F418 HydrophobicContact CE1-CE1 3.78Å; F77-F418 HydrophobicContact CE1-CG 4.11Å; F77-F418 HydrophobicContact CE2-CB 3.8Å; F77-F418 HydrophobicContact CE2-CD1 4.27Å; F77-F418 HydrophobicContact CE2-CG 4.32Å; F77-F418 HydrophobicContact CZ-CB 3.52Å; F77-F418 AromaticContact CZ-CD1 3.27Å; F77-F418 HydrophobicContact CZ-CD1 3.27Å; F77-F418 HydrophobicContact CZ-CE1 4.04Å; F77-F418 AromaticContact CZ-CG 3.53Å; F77-F418 HydrophobicContact CZ-CG 3.53Å; F78-F418 WeakPolarHBondContact O-CA 3.46Å; I214-F418 HydrophobicContact CB-CE1 4.5Å; I214-F418 HydrophobicContact CB-CZ 4.17Å; I214-F418 HydrophobicContact CD1-CE1 4.35Å; I214-F418 HydrophobicContact CD1-CE2 3.7Å; I214-F418 HydrophobicContact CD1-CZ 3.6Å; I214-F418 HydrophobicContact CG1-CE2 4.29Å; I214-F418 HydrophobicContact CG1-CZ 3.77Å; I214-F418 HydrophobicContact CG2-CD1 4.34Å; I214-F418 HydrophobicContact CG2-CE1 3.28Å; I214-F418 HydrophobicContact CG2-CE2 4.47Å; I214-F418 HydrophobicContact CG2-CZ 3.37Å; F216-F418 HydrophobicContact CB-CE2 3.48Å; F216-F418 VanDerWaalsContact CB-CE2 3.48Å; F216-F418 HydrophobicContact CB-CZ 3.58Å; F216-F418 HydrophobicContact CD1-CE2 4.16Å; F216-F418 AromaticContact CD2-CE2 3.93Å; F216-F418 HydrophobicContact CD2-CE2 3.93Å; F216-F418 AromaticContact CG-CE2 3.6Å; F216-F418 HydrophobicContact CG-CE2 3.6Å; F216-F418 HydrophobicContact CG-CZ 4.21Å; A367-F418 HydrophobicContact CB-CD1 4.23Å; A367-F418 HydrophobicContact CB-CE1 4Å; V407-F418 WeakPolarHBondContact CA-O 3.42Å; I408-F418 HydrophobicContact CB-CB 3.96Å; I408-F418 HydrophobicContact CB-CD2 4Å; I408-F418 HydrophobicContact CB-CG 4.48Å; I408-F418 HydrophobicContact CD1-CB 4.06Å; I408-F418 HydrophobicContact CD1-CD2 3.78Å; I408-F418 HydrophobicContact CD1-CG 4.16Å; I408-F418 HydrophobicContact CG1-CB 4.02Å; I408-F418 HydrophobicContact CG1-CD2 4.31Å; I408-F418 HydrophobicContact CG2-CD2 4.26Å; I408-F418 PolarHBondContact N-O 3.01Å; I408-F418 PolarHBondContact O-N 2.83Å; V416-F418 WeakPolarHBondContact CG1-O 3.44Å
419	L	98.4	Very high	93.2	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	137.6	175	179.7	57.3	0	0	0	109.1	A60 F61 Y64 F78 P80 V406 V407 V416	A60-L419 HydrophobicContact CB-CD2 4.18Å; A60-L419 WeakPolarHBondContact O-CD2 3.49Å; F61-L419 HydrophobicContact CD1-CD2 3.93Å; F61-L419 HydrophobicContact CE1-CD1 4.31Å; F61-L419 HydrophobicContact CE1-CD2 4.07Å; Y64-L419 HydrophobicContact CD2-CD1 4.33Å; Y64-L419 HydrophobicContact CD2-CD2 4.09Å; Y64-L419 HydrophobicContact CD2-CG 3.76Å; Y64-L419 HydrophobicContact CG-CD2 3.94Å; Y64-L419 HydrophobicContact CG-CG 4.14Å; F78-L419 WeakPolarHBondContact CD1-O 3.47Å; F78-L419 HydrophobicContact CE1-CB 4.15Å; F78-L419 HydrophobicContact CE1-CD2 4.45Å; F78-L419 HydrophobicContact CE1-CG 4.27Å; F78-L419 HydrophobicContact CZ-CB 4.13Å; F78-L419 HydrophobicContact CZ-CD2 4.09Å; F78-L419 HydrophobicContact CZ-CG 4.33Å; F78-L419 PolarHBondContact N-O 3.01Å; F78-L419 VanDerWaalsContact N-O 3.08Å; F78-L419 PolarHBondContact O-N 2.87Å; P80-L419 HydrophobicContact CG-CB 4.13Å; V406-L419 CarbonylContact O-C 3.59Å; V406-L419 WeakPolarHBondContact O-CA 3.22Å; V407-L419 HydrophobicContact CG2-CD1 3.73Å; V416-L419 HydrophobicContact CG1-CB 4.12Å
420	G	97.3	Very high	93.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	178.3	-178.5	0	0	0	0	0	116	I76 L405 V406	I76-G420 CarbonylContact O-C 3.49Å; I76-G420 WeakPolarHBondContact O-CA 3.43Å; L405-G420 CarbonylContact C-O 3.54Å; L405-G420 WeakPolarHBondContact CA-O 3.39Å; V406-G420 PolarHBondContact N-O 2.81Å; V406-G420 PolarHBondContact O-N 3.1Å
421	K	97.8	Very high	93.1	Very high	5 Å²	5	28.7 Å²	28.7	2%	0.022	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	128.7	177.9	179.2	171	58.5	-167.3	0	108.8	Y64 N75 I76 M287 E291 F404 L405 V423	Y64-K421 HydrophobicContact CE2-CB 4.25Å; Y64-K421 WeakPolarHBondContact OH-CB 3.36Å; N75-K421 WeakPolarHBondContact CA-O 3.31Å; I76-K421 HydrophobicContact CB-CB 4.21Å; I76-K421 PolarHBondContact N-O 2.98Å; I76-K421 PolarHBondContact O-N 2.96Å; M287-K421 HydrophobicContact CE-CD 4.09Å; M287-K421 HydrophobicContact CE-CG 4.29Å; M287-K421 HydrophobicContact CG-CD 4.22Å; M287-K421 HydrophobicContact SD-CD 3.83Å; M287-K421 HydrophobicContact SD-CG 4.48Å; E291-K421 WeakPolarHBondContact OE1-CD 3.07Å; E291-K421 WeakPolarHBondContact OE1-CE 3.4Å; E291-K421 IonicContact OE1-NZ 3.15Å; E291-K421 PolarHBondContact OE1-NZ 2.97Å; E291-K421 IonicContact OE2-NZ 3.54Å; F404-K421 WeakPolarHBondContact O-CA 3.29Å; L405-K421 HydrophobicContact CD2-CB 3.73Å; L405-K421 HydrophobicContact CD2-CD 4.06Å; L405-K421 HydrophobicContact CD2-CG 3.84Å; K421-V423 HydrophobicContact CD-CG2 3.92Å; K421-V423 HydrophobicContact CG-CG2 3.82Å
422	V	98.1	Very high	93.4	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	107.4	172.1	-177.2	0	0	0	0	107	F322 I324 P403 F404 V406 P425	F322-V422 HydrophobicContact CE2-CG2 3.86Å; F322-V422 HydrophobicContact CZ-CG2 3.86Å; I324-V422 HydrophobicContact CD1-CG2 3.82Å; I324-V422 HydrophobicContact CG2-CG2 4.26Å; P403-V422 WeakPolarHBondContact CA-O 3.3Å; F404-V422 HydrophobicContact CD1-CB 4.16Å; F404-V422 HydrophobicContact CD2-CB 4.46Å; F404-V422 HydrophobicContact CE1-CB 3.72Å; F404-V422 HydrophobicContact CE1-CG1 3.82Å; F404-V422 HydrophobicContact CE1-CG2 4.3Å; F404-V422 HydrophobicContact CE2-CB 4.06Å; F404-V422 HydrophobicContact CE2-CG2 3.84Å; F404-V422 HydrophobicContact CZ-CB 3.66Å; F404-V422 HydrophobicContact CZ-CG1 3.94Å; F404-V422 HydrophobicContact CZ-CG2 3.71Å; F404-V422 PolarHBondContact N-O 2.97Å; F404-V422 VanDerWaalsContact N-O 3.07Å; F404-V422 PolarHBondContact O-N 2.99Å; V406-V422 HydrophobicContact CG2-CG2 4.05Å; V422-P425 HydrophobicContact CG1-CB 3.99Å
423	V	97.5	Very high	93.6	Very high	12 Å²	12	26.3 Å²	26.3	7%	0.073	14%	0.143	C	C	.	.	S	Bend	trans	-95.2	-42.7	172.8	-178.6	0	0	0	0	110.1	G73 K74 N75 F234 V236 P403 K421	G73-V423 WeakPolarHBondContact O-CG1 3.5Å; K74-V423 WeakPolarHBondContact O-CG2 3.5Å; N75-V423 WeakPolarHBondContact OD1-CA 3.49Å; N75-V423 PolarHBondContact OD1-N 3.48Å; F234-V423 VanDerWaalsContact CE1-O 3.3Å; F234-V423 WeakPolarHBondContact CE1-O 3.48Å; V236-V423 HydrophobicContact CG1-CG1 3.9Å; P403-V423 HydrophobicContact CG-CG1 4.16Å; K421-V423 HydrophobicContact CD-CG2 3.92Å; K421-V423 HydrophobicContact CG-CG2 3.82Å
424	D	96.9	Very high	93.9	Very high	10 Å²	10	28 Å²	28	5%	0.053	15%	0.152	C	C	.	.			trans	-134.8	104.1	179	-177.5	-10.7	0	0	0	109.8	N75 V236 T426 K427	N75-D424 PolarHBondContact ND2-O 3.22Å; N75-D424 PolarHBondContact OD1-N 2.71Å; V236-D424 HydrophobicContact CG1-CB 4.23Å; V236-D424 HydrophobicContact CG2-CB 4.13Å; D424-T426 PolarHBondContact O-N 2.6Å; D424-T426 WeakPolarHBondContact OD1-CB 3.39Å; D424-T426 PolarHBondContact OD1-N 3.22Å; D424-T426 PolarHBondContact OD1-OG1 2.95Å; D424-K427 HydrophobicContact CB-CD 4.12Å; D424-K427 HydrophobicContact CB-CG 4.38Å; D424-K427 PolarHBondContact O-N 2.94Å; D424-K427 VanDerWaalsContact OD2-CD 3.31Å; D424-K427 WeakPolarHBondContact OD2-CD 3.5Å; D424-K427 WeakPolarHBondContact OD2-CE 3.18Å; D424-K427 IonicContact OD2-NZ 3.15Å; D424-K427 PolarHBondContact OD2-NZ 3.33Å; D424-K427 VanDerWaalsContact OD2-NZ 3.09Å
425	P	95.7	Very high	94	Very high	8 Å²	8	25.6 Å²	25.6	5%	0.052	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-5.1	-177.7	31.2	-38.7	0	0	0	114.2	F234 V244 F322 V422	F234-P425 HydrophobicContact CB-CG 4.44Å; F234-P425 HydrophobicContact CD1-CG 4.09Å; F234-P425 HydrophobicContact CD2-CG 3.83Å; F234-P425 HydrophobicContact CE1-CG 4.3Å; F234-P425 HydrophobicContact CE2-CG 4.05Å; F234-P425 HydrophobicContact CG-CG 3.86Å; F234-P425 HydrophobicContact CZ-CG 4.26Å; V244-P425 HydrophobicContact CB-CG 4.42Å; V244-P425 HydrophobicContact CG1-CB 4.37Å; V244-P425 HydrophobicContact CG1-CG 3.43Å; V244-P425 VanDerWaalsContact CG1-CG 3.43Å; F322-P425 HydrophobicContact CB-CB 3.62Å; F322-P425 WeakPolarHBondContact CB-O 3.49Å; F322-P425 HydrophobicContact CD1-CB 4.41Å; F322-P425 HydrophobicContact CG-CB 4.07Å; V422-P425 HydrophobicContact CG1-CB 3.99Å
426	T	94.1	Very high	94.1	Very high	73 Å²	73	27.5 Å²	27.5	45%	0.448	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-9.4	176.3	69.1	0	0	0	0	112.9	V242 V244 D424 P428	V242-T426 HydrophobicContact CB-CG2 4.05Å; V242-T426 HydrophobicContact CG2-CG2 3.87Å; V244-T426 HydrophobicContact CG1-CG2 3.93Å; D424-T426 PolarHBondContact O-N 2.6Å; D424-T426 WeakPolarHBondContact OD1-CB 3.39Å; D424-T426 PolarHBondContact OD1-N 3.22Å; D424-T426 PolarHBondContact OD1-OG1 2.95Å; T426-P428 WeakPolarHBondContact O-CD 3.4Å
427	K	89.3	Confident	93.9	Very high	125 Å²	125	29.3 Å²	29.3	54%	0.543	16%	0.163	S	C	.	.			trans	-97.3	111.9	179.1	-71.7	178	-177.2	151.7	0	110.6	N75 D424	N75-K427 PolarHBondContact ND2-O 3.32Å; D424-K427 HydrophobicContact CB-CD 4.12Å; D424-K427 HydrophobicContact CB-CG 4.38Å; D424-K427 PolarHBondContact O-N 2.94Å; D424-K427 VanDerWaalsContact OD2-CD 3.31Å; D424-K427 WeakPolarHBondContact OD2-CD 3.5Å; D424-K427 WeakPolarHBondContact OD2-CE 3.18Å; D424-K427 IonicContact OD2-NZ 3.15Å; D424-K427 PolarHBondContact OD2-NZ 3.33Å; D424-K427 VanDerWaalsContact OD2-NZ 3.09Å
428	P	68.1	Low	93.7	Very high	115 Å²	115	31.8 Å²	31.8	75%	0.747	18%	0.177	S	C	*	.			trans	-70.7	0	-179.8	30.8	-35	0	0	0	112.8	S325 T426	S325-P428 WeakPolarHBondContact CA-OXT 3.48Å; S325-P428 WeakPolarHBondContact CB-OXT 2.89Å; S325-P428 PolarHBondContact N-OXT 3.3Å; S325-P428 PolarHBondContact OG-OXT 2.96Å; T426-P428 WeakPolarHBondContact O-CD 3.4Å

Retrieved 428 of 428 residues in 245.9 ms (Link to these results)

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