A0A096N3M7_PAPAN Loading...

Prolyl endopeptidase

Serine peptidase whose precise substrate specificity remains unclear. Does not cleave peptides after a arginine or lysine residue. Regulates trans-Golgi network morphology and sorting by regulating the membrane binding of the AP-1 complex. May play a role in the regulation of synaptic vesicle exocytosis.

AlphaFold DB , UniProt , Accession A0A096N3M7, Species PAPAN (Papio anubis, Olive baboon), Gene PREPL, Length 727 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.8	Very low	26.5	Very low	230 Å²	230	160.9 Å²	160.9	100%	1.133	80%	0.801	S	S	*	*				0	160.7	0	-71.1	162.2	-176.4	0	0	109
2	Q	28.5	Very low	26.3	Very low	168 Å²	168	161.8 Å²	161.8	79%	0.785	81%	0.809	S	S	*	*			trans	5.2	120.8	164.1	-68.9	141.5	-36	0	0	118.6
3	Q	25.8	Very low	26	Very low	181 Å²	181	161.2 Å²	161.2	85%	0.846	80%	0.798	S	S	*	*				85.5	102.7	63.8	-83.5	-169.1	-27.4	0	0	116
4	K	31.1	Very low	25.8	Very low	198 Å²	198	164.1 Å²	164.1	86%	0.861	80%	0.798	S	S	*	*			trans	7	114.6	138	-60.1	176.6	179.4	176.3	0	119.3
5	T	30	Very low	25.6	Very low	141 Å²	141	160.9 Å²	160.9	87%	0.865	80%	0.799	S	S	*	*			trans	-147.1	114.1	139.6	-40.3	0	0	0	0	105.8
6	K	23.2	Very low	25.4	Very low	169 Å²	169	161 Å²	161	74%	0.735	80%	0.801	S	S	*	*			cis	82	99.3	21.7	-148.9	-162.3	-175.4	-159.7	0	115.8
7	L	26.1	Very low	26.2	Very low	117 Å²	117	157 Å²	157	61%	0.613	79%	0.79	S	S	*	*			trans	64.2	103.8	155.3	-70.2	167	0	0	0	119.7	L9	L7-L9 HydrophobicContact CD2-CD1 4.41Å; L7-L9 HydrophobicContact CD2-CG 4.33Å
8	F	25.4	Very low	26.1	Very low	194 Å²	194	157.2 Å²	157.2	85%	0.851	79%	0.787	S	S	*	*			trans	-145.4	92	137.4	-133.2	-89.9	0	0	0	105.3
9	L	23.6	Very low	25.8	Very low	116 Å²	116	157.1 Å²	157.1	61%	0.607	79%	0.788	S	S	*	*			cis	70.5	127.6	45.5	-137.7	-176.8	0	0	0	111.2	L7	L7-L9 HydrophobicContact CD2-CD1 4.41Å; L7-L9 HydrophobicContact CD2-CG 4.33Å
10	Q	23.9	Very low	25.6	Very low	166 Å²	166	152.3 Å²	152.3	78%	0.776	78%	0.78	S	S	*	*			trans	88.8	100.9	-174.3	-54.7	179.6	-0.8	0	0	113.6
11	A	22.1	Very low	25.4	Very low	90 Å²	90	154.7 Å²	154.7	74%	0.744	79%	0.785	S	S	*	*			cis	89.2	102.7	33.9	0	0	0	0	0	115.5
12	L	24.1	Very low	24.8	Very low	171 Å²	171	149.2 Å²	149.2	90%	0.895	77%	0.768	S	S	*	*			trans	-149.1	157.4	148.1	-84.6	122.5	0	0	0	107.9
13	K	22.7	Very low	24.4	Very low	154 Å²	154	148.4 Å²	148.4	67%	0.67	77%	0.766	S	S	*	*			cis	175.2	123	-43.6	-116.5	-178.4	170.1	-176	0	107.5
14	Y	23.6	Very low	24.1	Very low	203 Å²	203	147.2 Å²	147.2	80%	0.796	76%	0.76	S	S	*	*			trans	64.9	162	171.4	-52.1	-68.9	0	0	0	114.9
15	S	22.1	Very low	23.7	Very low	116 Å²	116	145 Å²	145	81%	0.811	75%	0.751	S	S	*	*			cis	-143.8	169.6	22.7	-59.5	0	0	0	0	114.7
16	I	22.2	Very low	23.3	Very low	162 Å²	162	143.5 Å²	143.5	83%	0.831	73%	0.734	S	S	*	*			trans	-155.2	156.5	-168.5	-88.6	167.9	0	0	0	106.4
17	P	39.5	Very low	23.2	Very low	93 Å²	93	140.5 Å²	140.5	60%	0.604	72%	0.722	S	S	*	*			cis	-137.6	-160.7	21.3	27.9	-0.7	0	0	0	115.8
18	H	23.9	Very low	23.1	Very low	161 Å²	161	137.9 Å²	137.9	75%	0.745	71%	0.709	S	S	*	*			trans	82.6	146	153.9	-64.3	-31.5	0	0	0	119.2
19	L	21.4	Very low	23.2	Very low	155 Å²	155	130.8 Å²	130.8	81%	0.812	68%	0.68	S	S	*	*			cis	-165	162.2	-6.9	-105.6	165	0	0	0	107.8
20	G	21.7	Very low	23.3	Very low	61 Å²	61	127.6 Å²	127.6	63%	0.629	66%	0.662	S	S	*	*			cis	151.7	142.3	-12.9	0	0	0	0	0	115.3
21	K	20.9	Very low	23.4	Very low	203 Å²	203	123.1 Å²	123.1	88%	0.883	64%	0.638	S	S	*	*			trans	88.3	114.5	174.8	-61.5	-177.7	173.2	-176.5	0	120.5
22	C	19.3	Very low	23.5	Very low	114 Å²	114	124.1 Å²	124.1	77%	0.77	63%	0.631	S	S	*	*				166.6	142	120.2	-90.7	0	0	0	0	108.9
23	M	19.5	Very low	23.5	Very low	152 Å²	152	123.4 Å²	123.4	75%	0.749	62%	0.621	S	S	*	*				58	122.1	66.7	-62.4	-101.2	-68.4	0	0	111.3
24	Q	20.8	Very low	23.6	Very low	155 Å²	155	119.2 Å²	119.2	72%	0.724	62%	0.615	S	S	*	*			cis	-146.9	145.5	10.4	-99.7	153	-65.4	0	0	108.2
25	K	21.8	Very low	23.7	Very low	153 Å²	153	109.9 Å²	109.9	67%	0.665	58%	0.579	S	S	*	*				80.7	138.4	82.5	-159.2	-155.2	168.9	-141.1	0	113.8
26	Q	22	Very low	24.3	Very low	109 Å²	109	107.5 Å²	107.5	51%	0.509	56%	0.555	S	S	.	*			trans	87.5	150.7	168.7	-50.6	-178.3	-155.3	0	0	116.2	E107	Q26-E107 VanDerWaalsContact CB-OE2 3.28Å; Q26-E107 WeakPolarHBondContact CB-OE2 3.38Å; Q26-E107 PolarHBondContact NE2-OE2 3.29Å
27	H	21	Very low	24.9	Very low	105 Å²	105	101.2 Å²	101.2	49%	0.486	52%	0.521	S	S	.	.			cis	-146	175.7	-34.3	-108	-55.8	0	0	0	110	E107	H27-E107 HydrophobicContact CB-CB 4.17Å; H27-E107 IonicContact CD2-OE2 2.78Å
28	L	24.2	Very low	24.8	Very low	63 Å²	63	101 Å²	101	33%	0.33	51%	0.509	S	S	.	.			trans	-129.1	155.6	-175.1	-66.1	106.4	0	0	0	113.2	E109 P415 Y417	L28-E109 WeakPolarHBondContact CA-OE2 3.5Å; L28-P415 HydrophobicContact CD2-CB 4.39Å; L28-Y417 HydrophobicContact CD2-CD2 4.46Å; L28-Y417 HydrophobicContact CD2-CE2 3.73Å
29	N	26.1	Very low	24.9	Very low	44 Å²	44	99.5 Å²	99.5	24%	0.235	51%	0.506	C	S	.	.			trans	176.4	127.6	148.3	-89.4	-27	0	0	0	116	Y108 E109 I110 I111	N29-Y108 WeakPolarHBondContact ND2-CB 2.92Å; N29-E109 HydrophobicContact CB-CB 3.75Å; N29-E109 WeakPolarHBondContact CB-O 3.3Å; N29-E109 PolarHBondContact N-OE2 3.18Å; N29-E109 PolarHBondContact ND2-O 3.24Å; N29-I110 CarbonylContact O-C 3.04Å; N29-I111 WeakPolarHBondContact O-CG1 3.31Å; N29-I111 PolarHBondContact O-N 2.85Å; N29-I111 VanDerWaalsContact O-N 3.1Å
30	H	26.1	Very low	25.1	Very low	50 Å²	50	99.2 Å²	99.2	23%	0.231	49%	0.494	C	S	.	.				33	141.1	119	-46.3	117	0	0	0	122.5	I111 P415	H30-I111 VanDerWaalsContact C-CG1 3.44Å; H30-I111 PolarHBondContact O-N 2.65Å; H30-P415 WeakPolarHBondContact NE2-CG 3.23Å
31	Y	27.2	Very low	25.2	Very low	71 Å²	71	103.4 Å²	103.4	28%	0.278	50%	0.5	S	S	.	.			cis	177.7	134.4	-13	-140.8	-47.5	0	0	0	111.5	F393 I394 N489	Y31-F393 PolarHBondContact OH-O 3.16Å; Y31-F393 VanDerWaalsContact OH-O 3.12Å; Y31-I394 HydrophobicContact CD2-CD1 4.49Å; Y31-I394 HydrophobicContact CE1-CG2 4.13Å; Y31-I394 HydrophobicContact CE2-CB 4.44Å; Y31-I394 HydrophobicContact CE2-CD1 3.83Å; Y31-I394 HydrophobicContact CE2-CG1 3.85Å; Y31-I394 HydrophobicContact CE2-CG2 4.03Å; Y31-N489 WeakPolarHBondContact CE2-ND2 3.47Å; Y31-N489 PolarHBondContact OH-ND2 2.9Å
32	N	23.3	Very low	25.1	Very low	111 Å²	111	103.3 Å²	103.3	59%	0.594	50%	0.5	S	S	*	.			trans	-176.1	179	138.9	-106.7	-56.4	0	0	0	117.5
33	F	23.8	Very low	25.3	Very low	157 Å²	157	105.2 Å²	105.2	69%	0.689	50%	0.502	S	S	*	.	S	Bend	trans	-96.9	154.6	-160.1	-103.5	-96.4	0	0	0	117.7
34	A	24.9	Very low	25.3	Very low	65 Å²	65	107.2 Å²	107.2	54%	0.537	51%	0.506	S	S	.	.			trans	68.2	140.2	-162.7	0	0	0	0	0	112.4
35	D	25.3	Very low	25.3	Very low	8 Å²	8	107 Å²	107	4%	0.043	50%	0.503	C	S	.	.			trans	134.6	110.7	163.5	-71.3	8.4	0	0	0	113.2	C160 I161 R162 T397	D35-C160 PolarHBondContact OD1-SG 2.94Å; D35-C160 WeakPolarHBondContact OD2-CA 3.36Å; D35-C160 WeakPolarHBondContact OD2-CB 3.37Å; D35-C160 PolarHBondContact OD2-SG 3.01Å; D35-I161 PolarHBondContact OD2-N 2.99Å; D35-R162 IonicContact OD1-CZ 3.1Å; D35-R162 VanDerWaalsContact OD1-CZ 3.24Å; D35-R162 IonicContact OD1-NH1 3.76Å; D35-R162 PolarHBondContact OD1-NH1 3.03Å; D35-R162 IonicContact OD1-NH2 2.69Å; D35-R162 PolarHBondContact OD1-NH2 3.42Å; D35-R162 IonicContact OD2-NH1 3.76Å; D35-R162 PolarHBondContact OD2-NH1 3.13Å; D35-R162 VanDerWaalsContact OD2-NH1 3.13Å; D35-T397 WeakPolarHBondContact O-CB 3.3Å; D35-T397 WeakPolarHBondContact O-CG2 3.32Å
36	H	35.6	Very low	25.3	Very low	66 Å²	66	110.7 Å²	110.7	31%	0.306	51%	0.514	S	S	.	.			trans	-143.9	139.8	178.6	-67.6	-47.7	0	0	0	111.7	K260	H36-K260 HydrophobicContact CB-CD 4.32Å; H36-K260 WeakPolarHBondContact CD2-CE 3.33Å; H36-K260 PolarHBondContact CD2-NZ 2.91Å; H36-K260 VanDerWaalsContact CD2-NZ 3.31Å; H36-K260 PolarHBondContact CE1-NZ 3.35Å; H36-K260 VanDerWaalsContact CG-CE 3.45Å; H36-K260 PolarHBondContact ND1-NZ 3.18Å; H36-K260 PolarHBondContact NE2-NZ 3.29Å
37	Y	35.4	Very low	25.3	Very low	29 Å²	29	113.7 Å²	113.7	11%	0.114	53%	0.528	C	S	.	.			trans	-131.8	-178.5	-173.5	-99.5	-75.5	0	0	0	114.7	V115 H117 R162 V163 S399	Y37-V115 HydrophobicContact CD1-CG1 4.47Å; Y37-V115 HydrophobicContact CD2-CB 4.29Å; Y37-V115 HydrophobicContact CD2-CG1 3.33Å; Y37-V115 HydrophobicContact CD2-CG2 3.96Å; Y37-V115 HydrophobicContact CE2-CG1 3.68Å; Y37-V115 HydrophobicContact CE2-CG2 4.3Å; Y37-V115 HydrophobicContact CG-CG1 3.78Å; Y37-H117 AromaticContact CD1-CE1 3.97Å; Y37-H117 AromaticContact CD1-ND1 3.21Å; Y37-H117 WeakPolarHBondContact CD1-ND1 3.34Å; Y37-H117 AromaticContact CE1-CE1 3.75Å; Y37-H117 AromaticContact CE1-ND1 3.2Å; Y37-H117 WeakPolarHBondContact CE1-ND1 3.42Å; Y37-R162 VanDerWaalsContact OH-C 3.26Å; Y37-R162 WeakPolarHBondContact OH-CA 3.35Å; Y37-R162 WeakPolarHBondContact OH-CD 3.48Å; Y37-V163 WeakPolarHBondContact CE1-O 3.49Å; Y37-V163 PolarHBondContact OH-N 3.13Å; Y37-V163 PolarHBondContact OH-O 3.36Å; Y37-S399 WeakPolarHBondContact O-CB 3.48Å; Y37-S399 PolarHBondContact O-OG 3.17Å
38	Y	37.6	Very low	25.4	Very low	90 Å²	90	117.1 Å²	117.1	35%	0.353	55%	0.549	S	S	.	.				-148.2	159.3	-128.3	-172.1	-120	0	0	0	114.2	D261 S262	Y38-D261 VanDerWaalsContact CE2-C 3.43Å; Y38-D261 WeakPolarHBondContact CE2-O 3.39Å; Y38-D261 PolarHBondContact OH-O 3.36Å; Y38-S262 WeakPolarHBondContact CD2-OG 3.44Å
39	N	25.4	Very low	25.3	Very low	128 Å²	128	119.4 Å²	119.4	68%	0.684	57%	0.565	S	S	*	*			trans	-154.5	162.3	167.7	-128	-58.8	0	0	0	116.6
40	R	25.7	Very low	25.1	Very low	150 Å²	150	126.2 Å²	126.2	57%	0.566	59%	0.593	S	S	*	*			trans	-88.2	146.6	-147.4	-62.5	169.1	167.3	144.3	-1.1	116.6	P165 E167	R40-P165 PolarHBondContact NH2-O 3.04Å; R40-E167 IonicContact CZ-OE1 3.2Å; R40-E167 IonicContact NH1-OE1 3.76Å; R40-E167 PolarHBondContact NH1-OE1 2.95Å; R40-E167 IonicContact NH2-OE1 2.62Å; R40-E167 PolarHBondContact NH2-OE1 2.81Å
41	I	22.4	Very low	24.9	Very low	148 Å²	148	129.2 Å²	129.2	76%	0.759	62%	0.618	S	S	*	*			trans	-116.9	147.6	156.5	-64.7	-179.6	0	0	0	109.4
42	K	19.4	Very low	24.6	Very low	201 Å²	201	132.1 Å²	132.1	87%	0.874	64%	0.638	S	S	*	*			trans	-95.5	118.8	-173.7	-70.5	179.8	176.7	176.5	0	113.3
43	L	22.9	Very low	24.6	Very low	154 Å²	154	134.2 Å²	134.2	81%	0.806	64%	0.644	S	S	*	*			trans	-93.2	157.8	163.4	-82	159.7	0	0	0	111.9	L283	L43-L283 HydrophobicContact CD1-CD1 4.23Å
44	K	19.8	Very low	24.5	Very low	194 Å²	194	134.1 Å²	134.1	84%	0.843	65%	0.651	S	S	*	*			trans	-106.9	130.5	-177.3	-73.1	178.6	178.5	173	0	110.8
45	K	20.6	Very low	24.4	Very low	152 Å²	152	138.7 Å²	138.7	66%	0.661	66%	0.659	S	S	*	*			trans	-73.4	144.7	179.4	-62.6	-161	172.2	-157.5	0	112.9	D213	K45-D213 IonicContact NZ-OD2 2.9Å; K45-D213 PolarHBondContact NZ-OD2 2.85Å
46	Y	22.7	Very low	24.9	Very low	229 Å²	229	143.3 Å²	143.3	90%	0.898	69%	0.689	S	S	*	*			trans	-110	153.9	155.5	-73.9	-88.5	0	0	0	108.8
47	H	22.7	Very low	24.3	Very low	173 Å²	173	149.8 Å²	149.8	80%	0.801	72%	0.717	S	S	*	*			trans	-113.3	138.2	-173.2	-73.9	-70.5	0	0	0	112.4
48	L	22.3	Very low	23.9	Very low	177 Å²	177	156.1 Å²	156.1	93%	0.927	75%	0.751	S	S	*	*			trans	-148.1	152.9	152.8	-115.4	135.3	0	0	0	111.5
49	T	22.1	Very low	23.3	Very low	110 Å²	110	157.3 Å²	157.3	68%	0.675	77%	0.772	S	S	*	*			trans	-119.7	140	-149.3	43.5	0	0	0	0	116.5
50	K	22.6	Very low	23.3	Very low	187 Å²	187	159.6 Å²	159.6	81%	0.813	78%	0.779	S	S	*	*			trans	58.6	122.3	139.3	-66.4	176.9	175	179.2	0	120.1
51	C	20.8	Very low	23.2	Very low	113 Å²	113	160.9 Å²	160.9	76%	0.764	80%	0.796	S	S	*	*				173.5	112.3	107.4	-92	0	0	0	0	109.9
52	L	21.9	Very low	23.3	Very low	132 Å²	132	157.8 Å²	157.8	69%	0.691	79%	0.792	S	S	*	*				90.9	121.5	74	-83.5	176.5	0	0	0	115.5
53	Q	22.6	Very low	23.6	Very low	156 Å²	156	159.3 Å²	159.3	73%	0.729	79%	0.793	S	S	*	*			trans	70	114.3	151.9	-60.7	166.5	-1.5	0	0	118
54	N	21.6	Very low	23.6	Very low	155 Å²	155	158.9 Å²	158.9	83%	0.829	79%	0.791	S	S	*	*				-164.3	156.5	67.7	-87.1	-64.7	0	0	0	114.8
55	K	22.6	Very low	23.8	Very low	160 Å²	160	157.8 Å²	157.8	70%	0.696	79%	0.793	S	S	*	*			trans	-126.1	169.8	165.1	-93.8	-174.7	179.6	179.4	0	107.7	D237	K55-D237 IonicContact NZ-OD1 2.67Å; K55-D237 PolarHBondContact NZ-OD1 3.47Å
56	P	36.7	Very low	24	Very low	106 Å²	106	156.3 Å²	156.3	69%	0.688	80%	0.799	S	S	*	*			cis	-134.7	-171.5	-30.6	39.1	-22.9	0	0	0	111.8
57	K	23.5	Very low	24.1	Very low	202 Å²	202	151.1 Å²	151.1	88%	0.878	80%	0.796	S	S	*	*				-170.4	160.3	118.3	-105.6	169.8	-176.7	179.3	0	114
58	I	25.4	Very low	24.2	Very low	161 Å²	161	154.6 Å²	154.6	83%	0.826	80%	0.802	S	S	*	*			trans	-110.1	146.1	-173.5	-61	161.9	0	0	0	109.3
59	S	25.7	Very low	24.2	Very low	115 Å²	115	151.7 Å²	151.7	80%	0.804	80%	0.796	S	S	*	*			trans	-153.3	139.1	152.5	57.1	0	0	0	0	110.7
60	E	24.5	Very low	24.3	Very low	176 Å²	176	156.6 Å²	156.6	82%	0.822	81%	0.809	S	S	*	*			trans	-75.5	160.1	-178.3	-53.5	149.3	103.8	0	0	112.5
61	L	24.4	Very low	24.4	Very low	177 Å²	177	152.4 Å²	152.4	93%	0.927	80%	0.803	S	S	*	*				-172.2	124.5	127	-105.9	159.5	0	0	0	111.8
62	A	24.3	Very low	24.5	Very low	83 Å²	83	153.2 Å²	153.2	69%	0.686	81%	0.809	S	S	*	*			trans	-127.9	144.1	167.5	0	0	0	0	0	109.3
63	R	25.6	Very low	24.6	Very low	233 Å²	233	154.7 Å²	154.7	88%	0.879	81%	0.809	S	S	*	*			trans	172.9	159.5	141.3	-102	167.3	-168.5	172.8	6.1	115.9
64	N	22.6	Very low	24.7	Very low	145 Å²	145	154.7 Å²	154.7	78%	0.775	81%	0.814	S	S	*	*			trans	76.6	99.1	152.5	-60.3	-16.4	0	0	0	120.8
65	I	23.8	Very low	25	Very low	172 Å²	172	155.6 Å²	155.6	88%	0.882	82%	0.818	S	S	*	*				-137	136.9	125.1	-60.6	-172.9	0	0	0	107.4
66	P	25.5	Very low	25.1	Very low	121 Å²	121	157 Å²	157	79%	0.786	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-96.4	149.3	-175.2	36.2	-34.5	0	0	0	114.6
67	S	25.8	Very low	24.7	Very low	120 Å²	120	157.9 Å²	157.9	84%	0.839	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-90.7	152.8	168.6	53.2	0	0	0	0	112.2
68	R	23.6	Very low	24.8	Very low	246 Å²	246	154.9 Å²	154.9	93%	0.928	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-99.9	139.2	171.6	-73.3	-178.5	173.7	176	-2.2	110.5
69	S	23.7	Very low	24.8	Very low	115 Å²	115	156.7 Å²	156.7	80%	0.804	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-94.9	146.9	173.9	49.7	0	0	0	0	112.1
70	F	23.9	Very low	24.9	Very low	214 Å²	214	160.2 Å²	160.2	94%	0.939	84%	0.837	S	S	*	*			trans	-114.5	148.1	155.5	-85.9	-85.5	0	0	0	108.6
71	S	23.4	Very low	25	Very low	98 Å²	98	160.6 Å²	160.6	69%	0.685	84%	0.839	S	S	*	*			trans	-114.3	115	-172.8	161.9	0	0	0	0	109.8
72	C	23.9	Very low	25.2	Very low	131 Å²	131	160.3 Å²	160.3	89%	0.885	84%	0.838	S	S	*	*			trans	-91.8	125.5	161.1	-159.7	0	0	0	0	108.8
73	K	23.7	Very low	25.8	Very low	163 Å²	163	165.2 Å²	165.2	71%	0.709	85%	0.847	S	S	*	*			trans	-118	170.3	167.5	-76.6	-170.6	175.3	-174.5	0	108.3
74	D	24.8	Very low	26.2	Very low	155 Å²	155	163.4 Å²	163.4	83%	0.829	85%	0.845	S	S	*	*			trans	78.4	53.4	169.8	-48.3	-25.5	0	0	0	116
75	L	27.3	Very low	26.8	Very low	174 Å²	174	162.6 Å²	162.6	91%	0.911	85%	0.848	S	S	*	*			trans	-123.7	139.7	146	-71.9	176.6	0	0	0	109.4
76	Q	25	Very low	27.9	Very low	190 Å²	190	159 Å²	159	89%	0.888	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-92.3	143.7	179.6	-69.9	-173.9	-12.6	0	0	111.4
77	P	29.3	Very low	28.7	Very low	125 Å²	125	157.2 Å²	157.2	81%	0.812	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-73.4	137.1	178.1	-13.6	28.9	0	0	0	112.5
78	V	25.1	Very low	29.6	Very low	139 Å²	139	160.4 Å²	160.4	84%	0.842	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-73.8	145.2	159.5	178.8	0	0	0	0	108.4	Q80	V78-Q80 PolarHBondContact O-N 3.18Å
79	K	24.8	Very low	30.5	Very low	199 Å²	199	156.8 Å²	156.8	87%	0.865	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-69.7	123.2	177.7	-67.5	179.7	177.8	179.5	0	110.7
80	Q	27.2	Very low	31.3	Very low	188 Å²	188	154.6 Å²	154.6	88%	0.879	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-79.3	151.4	155.4	-70.7	171.4	-56.7	0	0	109.4	V78	V78-Q80 PolarHBondContact O-N 3.18Å
81	E	27.4	Very low	32.5	Very low	185 Å²	185	148.9 Å²	148.9	86%	0.864	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-85.5	165.8	172.8	-62	-163.3	122.9	0	0	111.2	E83	E81-E83 PolarHBondContact O-N 3.45Å; E81-E83 VanDerWaalsContact O-N 3.14Å
82	N	29.5	Very low	33.3	Very low	170 Å²	170	147.2 Å²	147.2	91%	0.909	77%	0.768	S	S	*	*			trans	-79.8	99.4	-161.9	-55.8	-81.4	0	0	0	113.6
83	E	35.2	Very low	34	Very low	186 Å²	186	146.2 Å²	146.2	87%	0.869	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-70.8	147.5	148.6	-67.9	-169.8	155.3	0	0	110.3	E81	E81-E83 PolarHBondContact O-N 3.45Å; E81-E83 VanDerWaalsContact O-N 3.14Å
84	K	34.6	Very low	35	Very low	196 Å²	196	143.4 Å²	143.4	85%	0.852	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-87.4	128.8	174.6	-75.5	178.1	178.8	172.3	0	109.5	L86	K84-L86 PolarHBondContact O-N 3.01Å
85	P	36.2	Very low	36	Very low	128 Å²	128	139.6 Å²	139.6	83%	0.831	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-65.1	133	173.9	27.2	-33.7	0	0	0	110.7
86	L	45.9	Very low	36.7	Very low	96 Å²	96	132.1 Å²	132.1	50%	0.503	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-70.8	155.5	171.9	-73.8	168.8	0	0	0	111.1	K84 E88 T98	K84-L86 PolarHBondContact O-N 3.01Å; L86-E88 PolarHBondContact O-N 3.21Å; L86-T98 HydrophobicContact CD1-CG2 4.37Å; L86-T98 HydrophobicContact CD2-CG2 4.02Å
87	P	42.4	Very low	37.6	Very low	84 Å²	84	130.3 Å²	130.3	55%	0.545	66%	0.661	S	S	.	*	P	Polyproline II helix	trans	-61.3	131.4	-179.2	-22.6	34.2	0	0	0	112.8	N89 M90	P87-N89 PolarHBondContact O-N 3.38Å; P87-N89 VanDerWaalsContact O-N 3.11Å; P87-M90 HydrophobicContact CB-CG 4.42Å
88	E	44.9	Very low	38.2	Very low	187 Å²	187	125.8 Å²	125.8	87%	0.874	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.9	-28.8	-177.4	-63.3	-176.8	132.2	0	0	113.2	L86 M90 K95	L86-E88 PolarHBondContact O-N 3.21Å; E88-M90 PolarHBondContact O-N 2.98Å; E88-K95 PolarHBondContact O-NZ 3.45Å
89	N	43.3	Very low	39	Very low	169 Å²	169	123.2 Å²	123.2	90%	0.904	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.7	13.9	-166.8	-147.8	37.4	0	0	0	115.3	P87	P87-N89 PolarHBondContact O-N 3.38Å; P87-N89 VanDerWaalsContact O-N 3.11Å
90	M	40.3	Very low	39.6	Very low	69 Å²	69	115.4 Å²	115.4	34%	0.34	58%	0.576	S	S	.	*	S	Bend	trans	-85	151.7	171.7	-64.8	-93	-77.9	0	0	110.7	P87 E88 E94 K95	P87-M90 HydrophobicContact CB-CG 4.42Å; E88-M90 PolarHBondContact O-N 2.98Å; M90-E94 HydrophobicContact CB-CB 4.48Å; M90-E94 HydrophobicContact CE-CB 4Å; M90-E94 HydrophobicContact CE-CG 3.47Å; M90-E94 VanDerWaalsContact CE-CG 3.47Å; M90-E94 HydrophobicContact SD-CG 4.08Å; M90-K95 HydrophobicContact CB-CD 4.35Å; M90-K95 HydrophobicContact CB-CG 3.8Å; M90-K95 VanDerWaalsContact O-CE 3.32Å; M90-K95 WeakPolarHBondContact O-CE 3.49Å; M90-K95 PolarHBondContact O-NZ 3.04Å
91	D	47.8	Very low	40.1	Very low	95 Å²	95	112.1 Å²	112.1	51%	0.508	56%	0.561	S	S	.	*			trans	-67.6	162	173.3	-176.8	46.2	0	0	0	112.3	F93 E94 K95	D91-F93 PolarHBondContact O-N 2.8Å; D91-F93 WeakPolarHBondContact OD2-CD2 3.45Å; D91-F93 PolarHBondContact OD2-N 3.42Å; D91-E94 HydrophobicContact CB-CB 4.35Å; D91-E94 PolarHBondContact O-N 2.9Å; D91-K95 WeakPolarHBondContact O-CG 3.31Å; D91-K95 PolarHBondContact O-N 3.15Å
92	A	40.7	Very low	40.4	Very low	62 Å²	62	108.1 Å²	108.1	51%	0.512	55%	0.549	S	S	.	.	H	α-helix	trans	-58.7	-44.8	178.1	0	0	0	0	0	112.1	K95 V96	A92-K95 PolarHBondContact O-N 2.9Å; A92-V96 WeakPolarHBondContact O-CG2 3.44Å; A92-V96 PolarHBondContact O-N 2.84Å
93	F	38.3	Very low	40.6	Very low	110 Å²	110	105.7 Å²	105.7	48%	0.482	53%	0.532	S	S	.	.	H	α-helix	trans	-65.7	-42.6	178	-71.7	-89.2	0	0	0	111.8	D91 K95 V96 R97 V144	D91-F93 PolarHBondContact O-N 2.8Å; D91-F93 WeakPolarHBondContact OD2-CD2 3.45Å; D91-F93 PolarHBondContact OD2-N 3.42Å; F93-K95 VanDerWaalsContact C-N 3.32Å; F93-K95 PolarHBondContact O-N 2.67Å; F93-V96 PolarHBondContact O-N 2.88Å; F93-R97 WeakPolarHBondContact O-CB 3.27Å; F93-R97 PolarHBondContact O-N 3.34Å; F93-V144 HydrophobicContact CD1-CB 4.43Å; F93-V144 HydrophobicContact CD1-CG1 4.24Å; F93-V144 HydrophobicContact CE1-CB 4.42Å; F93-V144 HydrophobicContact CE1-CG1 4.07Å
94	E	46	Very low	40.2	Very low	105 Å²	105	103 Å²	103	49%	0.491	53%	0.532	S	S	.	.	H	α-helix	trans	-63.7	-36.4	179.3	-146.4	98.1	-119.9	0	0	112.3	M90 D91 T98	M90-E94 HydrophobicContact CB-CB 4.48Å; M90-E94 HydrophobicContact CE-CB 4Å; M90-E94 HydrophobicContact CE-CG 3.47Å; M90-E94 VanDerWaalsContact CE-CG 3.47Å; M90-E94 HydrophobicContact SD-CG 4.08Å; D91-E94 HydrophobicContact CB-CB 4.35Å; D91-E94 PolarHBondContact O-N 2.9Å; E94-T98 WeakPolarHBondContact O-CB 3.37Å; E94-T98 PolarHBondContact O-N 3.45Å; E94-T98 PolarHBondContact O-OG1 3.26Å
95	K	44.2	Very low	39.9	Very low	74 Å²	74	100.9 Å²	100.9	32%	0.322	52%	0.524	S	S	.	.	H	α-helix	trans	-65.9	-44.2	173.9	-77.8	165.2	171.2	142.8	0	112	E88 M90 D91 A92 F93 T98 K99	E88-K95 PolarHBondContact O-NZ 3.45Å; M90-K95 HydrophobicContact CB-CD 4.35Å; M90-K95 HydrophobicContact CB-CG 3.8Å; M90-K95 VanDerWaalsContact O-CE 3.32Å; M90-K95 WeakPolarHBondContact O-CE 3.49Å; M90-K95 PolarHBondContact O-NZ 3.04Å; D91-K95 WeakPolarHBondContact O-CG 3.31Å; D91-K95 PolarHBondContact O-N 3.15Å; A92-K95 PolarHBondContact O-N 2.9Å; F93-K95 VanDerWaalsContact C-N 3.32Å; F93-K95 PolarHBondContact O-N 2.67Å; K95-T98 PolarHBondContact O-N 2.78Å; K95-K99 WeakPolarHBondContact O-CB 3.24Å; K95-K99 PolarHBondContact O-N 2.71Å
96	V	44	Very low	39.6	Very low	18 Å²	18	101.8 Å²	101.8	11%	0.109	52%	0.518	C	S	.	.	H	α-helix	trans	-64.8	-46.6	177	174.6	0	0	0	0	110.6	A92 F93 T98 K99 L100 N147	A92-V96 WeakPolarHBondContact O-CG2 3.44Å; A92-V96 PolarHBondContact O-N 2.84Å; F93-V96 PolarHBondContact O-N 2.88Å; V96-T98 VanDerWaalsContact C-N 3.35Å; V96-T98 PolarHBondContact O-N 3.1Å; V96-K99 WeakPolarHBondContact O-CA 3.48Å; V96-K99 WeakPolarHBondContact O-CB 3.22Å; V96-K99 PolarHBondContact O-N 2.57Å; V96-L100 HydrophobicContact CG1-CD1 4.36Å; V96-L100 PolarHBondContact O-N 2.67Å; V96-N147 VanDerWaalsContact CG2-ND2 3.35Å; V96-N147 WeakPolarHBondContact CG2-ND2 3.07Å
97	R	41.8	Very low	38.8	Very low	151 Å²	151	101.9 Å²	101.9	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-53.3	-50.6	174.3	-178.8	-178	176.6	113	25.2	111.9	F93 K99 L100 E101	F93-R97 WeakPolarHBondContact O-CB 3.27Å; F93-R97 PolarHBondContact O-N 3.34Å; R97-K99 PolarHBondContact O-N 3.01Å; R97-L100 PolarHBondContact O-N 2.79Å; R97-L100 VanDerWaalsContact O-N 3.17Å; R97-E101 HydrophobicContact CG-CG 4.49Å; R97-E101 IonicContact CZ-OE1 2.67Å; R97-E101 VanDerWaalsContact CZ-OE1 3.27Å; R97-E101 IonicContact NE-OE1 3.4Å; R97-E101 PolarHBondContact NE-OE1 2.69Å; R97-E101 IonicContact NH2-OE1 3.6Å; R97-E101 PolarHBondContact NH2-OE1 3.3Å; R97-E101 WeakPolarHBondContact O-CG 3.14Å; R97-E101 PolarHBondContact O-N 2.74Å
98	T	43.4	Very low	38	Very low	30 Å²	30	102.9 Å²	102.9	18%	0.184	51%	0.509	C	S	.	.	H	α-helix	trans	-62.4	-31.3	179.5	-50.9	0	0	0	0	112.3	L86 E94 K95 V96 T102	L86-T98 HydrophobicContact CD1-CG2 4.37Å; L86-T98 HydrophobicContact CD2-CG2 4.02Å; E94-T98 WeakPolarHBondContact O-CB 3.37Å; E94-T98 PolarHBondContact O-N 3.45Å; E94-T98 PolarHBondContact O-OG1 3.26Å; K95-T98 PolarHBondContact O-N 2.78Å; V96-T98 VanDerWaalsContact C-N 3.35Å; V96-T98 PolarHBondContact O-N 3.1Å; T98-T102 WeakPolarHBondContact O-CB 3.42Å; T98-T102 WeakPolarHBondContact O-CG2 3.41Å; T98-T102 PolarHBondContact O-N 3.08Å; T98-T102 PolarHBondContact O-OG1 3.39Å
99	K	41.9	Very low	37.4	Very low	85 Å²	85	98 Å²	98	37%	0.37	49%	0.486	S	S	.	.	H	α-helix	trans	-72	-36.4	176.5	-166.3	-178	-176.2	-173.4	0	112.4	K95 V96 R97 T102 E149	K95-K99 WeakPolarHBondContact O-CB 3.24Å; K95-K99 PolarHBondContact O-N 2.71Å; V96-K99 WeakPolarHBondContact O-CA 3.48Å; V96-K99 WeakPolarHBondContact O-CB 3.22Å; V96-K99 PolarHBondContact O-N 2.57Å; R97-K99 PolarHBondContact O-N 3.01Å; K99-T102 PolarHBondContact O-OG1 2.78Å; K99-E149 VanDerWaalsContact NZ-CD 3.29Å; K99-E149 IonicContact NZ-OE1 2.75Å; K99-E149 PolarHBondContact NZ-OE1 3.31Å; K99-E149 IonicContact NZ-OE2 2.72Å; K99-E149 PolarHBondContact NZ-OE2 3.44Å
100	L	37.8	Very low	36.9	Very low	35 Å²	35	95.2 Å²	95.2	18%	0.183	47%	0.47	C	S	.	.	H	α-helix	trans	-66.5	-48.4	171.2	-64.1	168.1	0	0	0	110.5	V96 R97 T102 Q103	V96-L100 HydrophobicContact CG1-CD1 4.36Å; V96-L100 PolarHBondContact O-N 2.67Å; R97-L100 PolarHBondContact O-N 2.79Å; R97-L100 VanDerWaalsContact O-N 3.17Å; L100-T102 PolarHBondContact O-N 3.22Å; L100-Q103 PolarHBondContact O-N 3.23Å
101	E	37.6	Very low	37	Very low	119 Å²	119	95.1 Å²	95.1	56%	0.556	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-2.9	179.6	-69.9	175.7	178.5	0	0	114.7	R97	R97-E101 HydrophobicContact CG-CG 4.49Å; R97-E101 IonicContact CZ-OE1 2.67Å; R97-E101 VanDerWaalsContact CZ-OE1 3.27Å; R97-E101 IonicContact NE-OE1 3.4Å; R97-E101 PolarHBondContact NE-OE1 2.69Å; R97-E101 IonicContact NH2-OE1 3.6Å; R97-E101 PolarHBondContact NH2-OE1 3.3Å; R97-E101 WeakPolarHBondContact O-CG 3.14Å; R97-E101 PolarHBondContact O-N 2.74Å
102	T	33.2	Very low	37.2	Very low	101 Å²	101	92.9 Å²	92.9	62%	0.62	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.1	-2.5	-176.7	48.3	0	0	0	0	115.4	T98 K99 L100	T98-T102 WeakPolarHBondContact O-CB 3.42Å; T98-T102 WeakPolarHBondContact O-CG2 3.41Å; T98-T102 PolarHBondContact O-N 3.08Å; T98-T102 PolarHBondContact O-OG1 3.39Å; K99-T102 PolarHBondContact O-OG1 2.78Å; L100-T102 PolarHBondContact O-N 3.22Å
103	Q	33	Very low	38.5	Very low	119 Å²	119	91 Å²	91	56%	0.556	44%	0.441	S	S	*	.	S	Bend	trans	-87	137.2	173.8	-74.6	-174.9	-10.1	0	0	111.9	L100 Q105	L100-Q103 PolarHBondContact O-N 3.23Å; Q103-Q105 PolarHBondContact O-N 3.47Å
104	P	27.3	Very low	40.5	Very low	131 Å²	131	89 Å²	89	85%	0.851	43%	0.432	S	S	*	.			trans	-76.4	92.5	173.5	31.3	-33.2	0	0	0	110.4
105	Q	28.3	Very low	42.3	Very low	150 Å²	150	84.2 Å²	84.2	70%	0.701	41%	0.411	S	S	*	.			trans	-70.2	132.5	170.4	-71.7	-177.7	-24.3	0	0	111.1	Q103	Q103-Q105 PolarHBondContact O-N 3.47Å
106	E	30.3	Very low	44.3	Very low	148 Å²	148	84.2 Å²	84.2	69%	0.692	41%	0.411	S	S	*	.			trans	-143.6	104.9	160.6	-129.4	-152.9	-145.3	0	0	109.3	Y108 K726	E106-Y108 PolarHBondContact O-N 2.84Å; E106-Y108 VanDerWaalsContact O-N 3.14Å; E106-K726 PolarHBondContact O-NZ 2.67Å; E106-K726 IonicContact OE2-NZ 3.57Å; E106-K726 PolarHBondContact OE2-NZ 3.02Å
107	E	28.4	Very low	46.2	Very low	97 Å²	97	84.2 Å²	84.2	45%	0.453	41%	0.409	S	S	.	.			trans	-42	113.2	-168.2	-57.3	147.5	159.8	0	0	113.7	Q26 H27	Q26-E107 VanDerWaalsContact CB-OE2 3.28Å; Q26-E107 WeakPolarHBondContact CB-OE2 3.38Å; Q26-E107 PolarHBondContact NE2-OE2 3.29Å; H27-E107 HydrophobicContact CB-CB 4.17Å; H27-E107 IonicContact CD2-OE2 2.78Å
108	Y	26.5	Very low	48.2	Very low	106 Å²	106	78.6 Å²	78.6	42%	0.416	40%	0.398	S	S	.	.				-99.8	130.6	117.3	-71.9	-93.2	0	0	0	105.3	N29 E106 Y724 K726	N29-Y108 WeakPolarHBondContact ND2-CB 2.92Å; E106-Y108 PolarHBondContact O-N 2.84Å; E106-Y108 VanDerWaalsContact O-N 3.14Å; Y108-Y724 VanDerWaalsContact OH-C 3.29Å; Y108-Y724 PolarHBondContact OH-O 2.72Å; Y108-K726 HydrophobicContact CE2-CB 3.82Å; Y108-K726 HydrophobicContact CE2-CD 3.62Å; Y108-K726 VanDerWaalsContact CE2-CE 3.4Å; Y108-K726 HydrophobicContact CE2-CG 3.68Å; Y108-K726 WeakPolarHBondContact OH-CG 3.4Å; Y108-K726 PolarHBondContact OH-N 3Å; Y108-K726 VanDerWaalsContact OH-N 3.11Å
109	E	30.8	Very low	50.2	Low	84 Å²	84	79.3 Å²	79.3	39%	0.393	41%	0.412	S	S	.	.			trans	-57.7	152.3	163.3	-87.3	176.6	176.8	0	0	108.3	L28 N29	L28-E109 WeakPolarHBondContact CA-OE2 3.5Å; N29-E109 HydrophobicContact CB-CB 3.75Å; N29-E109 WeakPolarHBondContact CB-O 3.3Å; N29-E109 PolarHBondContact N-OE2 3.18Å; N29-E109 PolarHBondContact ND2-O 3.24Å
110	I	32.9	Very low	52.5	Low	110 Å²	110	78.1 Å²	78.1	56%	0.564	41%	0.407	S	S	*	.			trans	-109	144.8	147.3	-59.2	171.8	0	0	0	102.7	N29 N112	N29-I110 CarbonylContact O-C 3.04Å; I110-N112 PolarHBondContact O-N 2.88Å
111	I	42.6	Very low	54.9	Low	68 Å²	68	76.6 Å²	76.6	35%	0.349	40%	0.399	S	S	.	.			trans	-68	83.5	157.1	-62	-173.1	0	0	0	106.3	N29 H30 V113	N29-I111 WeakPolarHBondContact O-CG1 3.31Å; N29-I111 PolarHBondContact O-N 2.85Å; N29-I111 VanDerWaalsContact O-N 3.1Å; H30-I111 VanDerWaalsContact C-CG1 3.44Å; H30-I111 PolarHBondContact O-N 2.65Å; I111-V113 PolarHBondContact O-N 3.33Å
112	N	52.4	Low	57.5	Low	47 Å²	47	71 Å²	71	25%	0.251	37%	0.373	S	S	.	.			trans	-53.5	114	151.3	-65	-28.4	0	0	0	104.8	I110 E114 Q124	I110-N112 PolarHBondContact O-N 2.88Å; N112-E114 PolarHBondContact O-N 2.8Å; N112-Q124 HydrophobicContact CB-CB 3.95Å; N112-Q124 WeakPolarHBondContact CB-O 3.25Å; N112-Q124 PolarHBondContact ND2-O 2.92Å
113	V	68	Low	60.2	Low	23 Å²	23	67.8 Å²	67.8	14%	0.139	35%	0.35	C	S	.	.			trans	-56.8	110.3	-173.6	172.6	0	0	0	0	109.2	I111 V115 I158 I161	I111-V113 PolarHBondContact O-N 3.33Å; V113-V115 HydrophobicContact CG1-CG2 4.38Å; V113-I158 WeakPolarHBondContact CG2-O 3.37Å; V113-I161 HydrophobicContact CB-CG1 4.39Å; V113-I161 HydrophobicContact CG1-CB 4.34Å; V113-I161 HydrophobicContact CG1-CG1 4.17Å; V113-I161 WeakPolarHBondContact O-CD1 3.38Å
114	E	80.7	Confident	62.9	Low	67 Å²	67	62.8 Å²	62.8	31%	0.313	33%	0.326	S	S	.	.			trans	-91.7	128.9	-179.9	-164.6	-171.1	103.2	0	0	109.9	N112 K116 V121 Y122 N398	N112-E114 PolarHBondContact O-N 2.8Å; E114-K116 WeakPolarHBondContact OE1-CE 3.21Å; E114-K116 IonicContact OE1-NZ 2.91Å; E114-V121 VanDerWaalsContact CD-CG1 3.49Å; E114-V121 HydrophobicContact CG-CG1 3.3Å; E114-Y122 CarbonylContact C-O 3.55Å; E114-Y122 WeakPolarHBondContact CA-O 3.45Å; E114-N398 PolarHBondContact OE1-ND2 2.84Å; E114-N398 PolarHBondContact OE1-OD1 2.89Å
115	V	83.4	Confident	65.8	Low	5 Å²	5	58.7 Å²	58.7	3%	0.03	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	118.3	174.8	164.7	0	0	0	0	110.2	Y37 V113 H117 Y122 I161 V163	Y37-V115 HydrophobicContact CD1-CG1 4.47Å; Y37-V115 HydrophobicContact CD2-CB 4.29Å; Y37-V115 HydrophobicContact CD2-CG1 3.33Å; Y37-V115 HydrophobicContact CD2-CG2 3.96Å; Y37-V115 HydrophobicContact CE2-CG1 3.68Å; Y37-V115 HydrophobicContact CE2-CG2 4.3Å; Y37-V115 HydrophobicContact CG-CG1 3.78Å; V113-V115 HydrophobicContact CG1-CG2 4.38Å; V115-H117 HydrophobicContact CG1-CB 4.49Å; V115-Y122 PolarHBondContact N-O 3.1Å; V115-Y122 PolarHBondContact O-N 2.64Å; V115-I161 HydrophobicContact CB-CB 4.32Å; V115-I161 HydrophobicContact CB-CG2 4.14Å; V115-I161 HydrophobicContact CG2-CB 3.84Å; V115-I161 HydrophobicContact CG2-CG2 4.16Å; V115-V163 HydrophobicContact CG1-CG2 3.92Å
116	K	85.2	Confident	68.5	Low	74 Å²	74	53 Å²	53	32%	0.322	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	118.9	173	-57.2	-158.8	173.4	-151.9	0	110.9	E114 F120 V121 D134	E114-K116 WeakPolarHBondContact OE1-CE 3.21Å; E114-K116 IonicContact OE1-NZ 2.91Å; K116-F120 WeakPolarHBondContact CA-O 3.37Å; K116-V121 HydrophobicContact CD-CG2 4.2Å; K116-V121 HydrophobicContact CG-CG1 4.4Å; K116-V121 HydrophobicContact CG-CG2 4.15Å; K116-D134 WeakPolarHBondContact CD-OD1 3.39Å; K116-D134 WeakPolarHBondContact CE-OD1 3.02Å; K116-D134 IonicContact NZ-OD1 2.59Å; K116-D134 PolarHBondContact NZ-OD1 2.84Å
117	H	85.4	Confident	71.2	Confident	18 Å²	18	48 Å²	48	8%	0.083	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	137.8	178.8	-159.2	111.3	0	0	0	111.2	Y37 V115 G119 F120 Y122 V163	Y37-H117 AromaticContact CD1-CE1 3.97Å; Y37-H117 AromaticContact CD1-ND1 3.21Å; Y37-H117 WeakPolarHBondContact CD1-ND1 3.34Å; Y37-H117 AromaticContact CE1-CE1 3.75Å; Y37-H117 AromaticContact CE1-ND1 3.2Å; Y37-H117 WeakPolarHBondContact CE1-ND1 3.42Å; V115-H117 HydrophobicContact CG1-CB 4.49Å; H117-G119 PolarHBondContact O-N 2.88Å; H117-G119 VanDerWaalsContact O-N 3.07Å; H117-F120 PolarHBondContact N-O 3.47Å; H117-F120 PolarHBondContact O-N 3.24Å; H117-F120 VanDerWaalsContact O-O 3.06Å; H117-Y122 HydrophobicContact CB-CD2 4.47Å; H117-Y122 HydrophobicContact CB-CE2 4.15Å; H117-V163 HydrophobicContact CB-CB 3.86Å; H117-V163 HydrophobicContact CB-CG1 3.92Å; H117-V163 HydrophobicContact CB-CG2 3.96Å
118	G	83.3	Confident	74.1	Confident	33 Å²	33	43.4 Å²	43.4	34%	0.34	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.7	-1.7	172.7	0	0	0	0	0	116.4	E167	G118-E167 WeakPolarHBondContact CA-OE1 3.44Å; G118-E167 WeakPolarHBondContact CA-OE2 3.34Å
119	G	85.9	Confident	77.3	Confident	46 Å²	46	38.4 Å²	38.4	47%	0.474	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.8	6.1	-165.9	0	0	0	0	0	113.4	H117 D134	H117-G119 PolarHBondContact O-N 2.88Å; H117-G119 VanDerWaalsContact O-N 3.07Å; G119-D134 PolarHBondContact O-N 2.69Å
120	F	89.4	Confident	80.2	Confident	60 Å²	60	34.4 Å²	34.4	26%	0.263	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	156.8	170	-63.8	-91.4	0	0	0	111.1	K116 H117 Y122 R131 S132 K133	K116-F120 WeakPolarHBondContact CA-O 3.37Å; H117-F120 PolarHBondContact N-O 3.47Å; H117-F120 PolarHBondContact O-N 3.24Å; H117-F120 VanDerWaalsContact O-O 3.06Å; F120-Y122 HydrophobicContact CB-CD2 4.25Å; F120-Y122 HydrophobicContact CB-CE2 3.61Å; F120-R131 HydrophobicContact CD1-CG 4.24Å; F120-S132 CarbonylContact C-O 3.59Å; F120-S132 WeakPolarHBondContact CA-O 3.5Å; F120-S132 WeakPolarHBondContact CB-O 3.39Å; F120-S132 WeakPolarHBondContact CD1-O 3.48Å; F120-K133 HydrophobicContact CE1-CG 4.36Å
121	V	89	Confident	83	Confident	3 Å²	3	30.6 Å²	30.6	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.8	171.7	-173.6	0	0	0	0	107.1	E114 K116 Y123 R131 S132 D134	E114-V121 VanDerWaalsContact CD-CG1 3.49Å; E114-V121 HydrophobicContact CG-CG1 3.3Å; K116-V121 HydrophobicContact CD-CG2 4.2Å; K116-V121 HydrophobicContact CG-CG1 4.4Å; K116-V121 HydrophobicContact CG-CG2 4.15Å; V121-Y123 HydrophobicContact CG1-CD1 4.15Å; V121-R131 CarbonylContact O-C 3.59Å; V121-R131 WeakPolarHBondContact O-CA 3.36Å; V121-S132 PolarHBondContact N-O 3.29Å; V121-S132 PolarHBondContact O-N 3.1Å; V121-D134 HydrophobicContact CG2-CB 4.08Å; V121-D134 WeakPolarHBondContact CG2-OD1 3.47Å
122	Y	90.9	Very high	85.3	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.3	-179	-64.8	-102	0	0	0	109	E114 V115 H117 F120 V130 R131 L145 V163 V170 L189	E114-Y122 CarbonylContact C-O 3.55Å; E114-Y122 WeakPolarHBondContact CA-O 3.45Å; V115-Y122 PolarHBondContact N-O 3.1Å; V115-Y122 PolarHBondContact O-N 2.64Å; H117-Y122 HydrophobicContact CB-CD2 4.47Å; H117-Y122 HydrophobicContact CB-CE2 4.15Å; F120-Y122 HydrophobicContact CB-CD2 4.25Å; F120-Y122 HydrophobicContact CB-CE2 3.61Å; Y122-V130 WeakPolarHBondContact CA-O 3.34Å; Y122-R131 HydrophobicContact CD1-CB 3.73Å; Y122-R131 HydrophobicContact CE1-CB 3.81Å; Y122-R131 HydrophobicContact CE1-CG 4.26Å; Y122-R131 HydrophobicContact CG-CB 4.14Å; Y122-R131 PolarHBondContact OH-NH1 2.81Å; Y122-L145 HydrophobicContact CD1-CD1 3.67Å; Y122-L145 HydrophobicContact CE1-CD1 3.76Å; Y122-V163 HydrophobicContact CD1-CG2 4.05Å; Y122-V163 HydrophobicContact CD2-CG2 3.53Å; Y122-V163 HydrophobicContact CE1-CG2 4.17Å; Y122-V163 HydrophobicContact CE2-CG1 4.17Å; Y122-V163 HydrophobicContact CE2-CG2 3.66Å; Y122-V163 HydrophobicContact CG-CG2 3.75Å; Y122-V170 HydrophobicContact CD1-CG2 3.9Å; Y122-V170 HydrophobicContact CE1-CG2 3.57Å; Y122-L189 HydrophobicContact CE1-CD1 4.23Å
123	Y	90.4	Very high	86.9	Confident	35 Å²	35	29.7 Å²	29.7	14%	0.137	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	175.8	-173.6	60	-74.8	0	0	0	111.5	V121 E125 V130	V121-Y123 HydrophobicContact CG1-CD1 4.15Å; Y123-E125 HydrophobicContact CE2-CB 4.17Å; Y123-V130 HydrophobicContact CD1-CG2 3.9Å; Y123-V130 HydrophobicContact CD2-CG2 3.77Å; Y123-V130 HydrophobicContact CE1-CG2 3.68Å; Y123-V130 HydrophobicContact CE2-CG2 3.57Å; Y123-V130 HydrophobicContact CG-CG2 3.93Å; Y123-V130 PolarHBondContact N-O 2.78Å; Y123-V130 VanDerWaalsContact N-O 3.15Å; Y123-V130 WeakPolarHBondContact O-CG2 3.42Å; Y123-V130 PolarHBondContact O-N 3.06Å
124	Q	89.5	Confident	87.1	Confident	13 Å²	13	32.4 Å²	32.4	6%	0.061	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	133.4	168.3	-179.4	167.1	-20.5	0	0	110.3	N112 G126 C128 L148 F157 I158	N112-Q124 HydrophobicContact CB-CB 3.95Å; N112-Q124 WeakPolarHBondContact CB-O 3.25Å; N112-Q124 PolarHBondContact ND2-O 2.92Å; Q124-G126 WeakPolarHBondContact CG-O 3.36Å; Q124-G126 PolarHBondContact NE2-O 3.13Å; Q124-C128 CarbonylContact C-O 3.52Å; Q124-C128 VanDerWaalsContact CA-O 3.3Å; Q124-C128 WeakPolarHBondContact CA-O 3.27Å; Q124-L148 HydrophobicContact CG-CD1 4.43Å; Q124-F157 VanDerWaalsContact OE1-CA 3.31Å; Q124-I158 HydrophobicContact CB-CD1 4.05Å; Q124-I158 HydrophobicContact CB-CG1 4.48Å; Q124-I158 HydrophobicContact CG-CD1 4.43Å
125	E	87.9	Confident	86.2	Confident	45 Å²	45	38.3 Å²	38.3	21%	0.21	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119.8	167	-178.5	48.8	-116.6	0	0	108.9	Y123 C127 C128 V130 Y142	Y123-E125 HydrophobicContact CE2-CB 4.17Å; E125-C127 PolarHBondContact O-N 3.13Å; E125-C127 VanDerWaalsContact O-N 3.16Å; E125-C128 PolarHBondContact N-O 3.17Å; E125-C128 WeakPolarHBondContact O-CB 3.47Å; E125-C128 PolarHBondContact O-N 2.87Å; E125-V130 HydrophobicContact CB-CG1 3.97Å; E125-V130 HydrophobicContact CB-CG2 3.83Å; E125-Y142 HydrophobicContact CG-CE1 4.14Å
126	G	85.3	Confident	84.9	Confident	32 Å²	32	40.7 Å²	40.7	33%	0.33	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.9	-118.3	-167.9	0	0	0	0	0	113	Q124	Q124-G126 WeakPolarHBondContact CG-O 3.36Å; Q124-G126 PolarHBondContact NE2-O 3.13Å
127	C	86.2	Confident	83.3	Confident	42 Å²	42	39 Å²	39	28%	0.284	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	16.7	176.4	-63.2	0	0	0	0	114.1	E125 N147 L148 E149	E125-C127 PolarHBondContact O-N 3.13Å; E125-C127 VanDerWaalsContact O-N 3.16Å; C127-N147 PolarHBondContact O-OD1 2.63Å; C127-L148 VanDerWaalsContact O-CB 3.24Å; C127-L148 WeakPolarHBondContact O-CB 3.46Å; C127-L148 WeakPolarHBondContact O-CG 3.34Å; C127-L148 PolarHBondContact O-N 3.08Å; C127-E149 HydrophobicContact CB-CG 4.01Å; C127-E149 PolarHBondContact SG-OE1 2.81Å
128	C	90.3	Very high	81.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.007	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.3	-173.1	-76.3	0	0	0	0	113.4	Q124 E125 V130 V144 F146	Q124-C128 CarbonylContact C-O 3.52Å; Q124-C128 VanDerWaalsContact CA-O 3.3Å; Q124-C128 WeakPolarHBondContact CA-O 3.27Å; E125-C128 PolarHBondContact N-O 3.17Å; E125-C128 WeakPolarHBondContact O-CB 3.47Å; E125-C128 PolarHBondContact O-N 2.87Å; C128-V130 HydrophobicContact CB-CG1 3.8Å; C128-V144 HydrophobicContact CB-CG1 4.06Å; C128-F146 CarbonylContact C-O 3.52Å; C128-F146 VanDerWaalsContact CA-O 3.31Å; C128-F146 WeakPolarHBondContact CA-O 3.44Å
129	L	93.1	Very high	80.6	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.5	154.5	175.1	67.8	0	0	0	107.6	L145 F146 I158 I161 V170 A172 I187	L129-L145 HydrophobicContact CB-CB 4.5Å; L129-L145 HydrophobicContact CD2-CB 4.09Å; L129-L145 HydrophobicContact CD2-CD1 4.32Å; L129-L145 HydrophobicContact CG-CB 4.05Å; L129-L145 HydrophobicContact CG-CD1 4.19Å; L129-L145 WeakPolarHBondContact O-CB 3.23Å; L129-L145 PolarHBondContact O-N 3.3Å; L129-F146 HydrophobicContact CB-CB 4.27Å; L129-F146 PolarHBondContact N-O 2.93Å; L129-F146 PolarHBondContact O-N 3.26Å; L129-I158 HydrophobicContact CB-CD1 3.74Å; L129-I158 HydrophobicContact CD1-CD1 3.8Å; L129-I158 HydrophobicContact CG-CD1 4.33Å; L129-I161 HydrophobicContact CD1-CD1 3.73Å; L129-I161 HydrophobicContact CD1-CG1 4.46Å; L129-V170 HydrophobicContact CD2-CG1 4.22Å; L129-A172 HydrophobicContact CD2-CB 4.17Å; L129-I187 HydrophobicContact CD2-CG1 4.05Å
130	V	92.7	Very high	79.5	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	166.2	-178.7	-56.2	0	0	0	0	111.6	Y122 Y123 E125 C128 Y142 E143 V144	Y122-V130 WeakPolarHBondContact CA-O 3.34Å; Y123-V130 HydrophobicContact CD1-CG2 3.9Å; Y123-V130 HydrophobicContact CD2-CG2 3.77Å; Y123-V130 HydrophobicContact CE1-CG2 3.68Å; Y123-V130 HydrophobicContact CE2-CG2 3.57Å; Y123-V130 HydrophobicContact CG-CG2 3.93Å; Y123-V130 PolarHBondContact N-O 2.78Å; Y123-V130 VanDerWaalsContact N-O 3.15Å; Y123-V130 WeakPolarHBondContact O-CG2 3.42Å; Y123-V130 PolarHBondContact O-N 3.06Å; E125-V130 HydrophobicContact CB-CG1 3.97Å; E125-V130 HydrophobicContact CB-CG2 3.83Å; C128-V130 HydrophobicContact CB-CG1 3.8Å; V130-Y142 HydrophobicContact CB-CD2 3.93Å; V130-Y142 HydrophobicContact CB-CG 4.3Å; V130-Y142 HydrophobicContact CG1-CD2 3.67Å; V130-Y142 HydrophobicContact CG1-CE2 4Å; V130-Y142 HydrophobicContact CG1-CG 4.44Å; V130-Y142 HydrophobicContact CG2-CD2 4.46Å; V130-Y142 HydrophobicContact CG2-CG 4.46Å; V130-E143 CarbonylContact C-O 3.51Å; V130-E143 VanDerWaalsContact CA-O 3.26Å; V130-E143 WeakPolarHBondContact CA-O 3.49Å; V130-V144 HydrophobicContact CG1-CG2 4.22Å
131	R	91.9	Very high	78.9	Confident	29 Å²	29	55.9 Å²	55.9	11%	0.109	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	143	161	68.2	178.2	177.4	-172.1	-8.3	112.6	F120 V121 Y122 Y142 E143 L145	F120-R131 HydrophobicContact CD1-CG 4.24Å; V121-R131 CarbonylContact O-C 3.59Å; V121-R131 WeakPolarHBondContact O-CA 3.36Å; Y122-R131 HydrophobicContact CD1-CB 3.73Å; Y122-R131 HydrophobicContact CE1-CB 3.81Å; Y122-R131 HydrophobicContact CE1-CG 4.26Å; Y122-R131 HydrophobicContact CG-CB 4.14Å; Y122-R131 PolarHBondContact OH-NH1 2.81Å; R131-Y142 CarbonylContact O-C 3.59Å; R131-Y142 VanDerWaalsContact O-CA 3.29Å; R131-Y142 WeakPolarHBondContact O-CA 3.37Å; R131-E143 HydrophobicContact CG-CB 4.05Å; R131-E143 IonicContact CZ-OE1 2.72Å; R131-E143 IonicContact CZ-OE2 3.9Å; R131-E143 PolarHBondContact N-O 3.44Å; R131-E143 VanDerWaalsContact NE-CD 3.34Å; R131-E143 IonicContact NE-OE1 2.62Å; R131-E143 IonicContact NE-OE2 2.67Å; R131-E143 PolarHBondContact NE-OE2 2.84Å; R131-E143 IonicContact NH2-OE1 3.61Å; R131-E143 PolarHBondContact NH2-OE1 2.96Å; R131-E143 IonicContact NH2-OE2 2.88Å; R131-E143 PolarHBondContact NH2-OE2 3.22Å; R131-E143 PolarHBondContact O-N 2.82Å; R131-L145 HydrophobicContact CB-CD1 4.08Å; R131-L145 HydrophobicContact CG-CD1 4.09Å; R131-L145 HydrophobicContact CG-CD2 4.06Å; R131-L145 HydrophobicContact CG-CG 4.26Å
132	S	89.9	Confident	78.8	Confident	3 Å²	3	59 Å²	59	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	171.3	169.2	65.7	0	0	0	0	110.1	F120 V121	F120-S132 CarbonylContact C-O 3.59Å; F120-S132 WeakPolarHBondContact CA-O 3.5Å; F120-S132 WeakPolarHBondContact CB-O 3.39Å; F120-S132 WeakPolarHBondContact CD1-O 3.48Å; V121-S132 PolarHBondContact N-O 3.29Å; V121-S132 PolarHBondContact O-N 3.1Å
133	K	86.4	Confident	78.7	Confident	94 Å²	94	61.9 Å²	61.9	41%	0.409	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	146	168.9	-51.2	-166	-158.2	92.3	0	110	F120 E135 E136 A137	F120-K133 HydrophobicContact CE1-CG 4.36Å; K133-E135 PolarHBondContact O-N 3.17Å; K133-E135 VanDerWaalsContact O-N 3.12Å; K133-E136 HydrophobicContact CB-CB 4.21Å; K133-E136 HydrophobicContact CB-CG 4.4Å; K133-E136 IonicContact NZ-OE1 3.27Å; K133-E136 PolarHBondContact NZ-OE1 3.23Å; K133-E136 IonicContact NZ-OE2 2.78Å; K133-E136 PolarHBondContact NZ-OE2 3.26Å; K133-E136 PolarHBondContact O-N 2.81Å; K133-A137 PolarHBondContact O-N 3.34Å
134	D	71.4	Confident	78.8	Confident	80 Å²	80	62 Å²	62	43%	0.428	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-23.4	-179	-162.8	31.2	0	0	0	114.2	K116 G119 V121	K116-D134 WeakPolarHBondContact CD-OD1 3.39Å; K116-D134 WeakPolarHBondContact CE-OD1 3.02Å; K116-D134 IonicContact NZ-OD1 2.59Å; K116-D134 PolarHBondContact NZ-OD1 2.84Å; G119-D134 PolarHBondContact O-N 2.69Å; V121-D134 HydrophobicContact CG2-CB 4.08Å; V121-D134 WeakPolarHBondContact CG2-OD1 3.47Å
135	E	62	Low	79	Confident	190 Å²	190	61.5 Å²	61.5	89%	0.888	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.7	174.5	-62	-173.9	170.7	0	0	114.1	K133	K133-E135 PolarHBondContact O-N 3.17Å; K133-E135 VanDerWaalsContact O-N 3.12Å
136	E	55.8	Low	79.4	Confident	56 Å²	56	59.8 Å²	59.8	26%	0.262	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.7	3.5	-170.2	-65.2	175.8	-162.7	0	0	114.7	K133 D138 N139 N141	K133-E136 HydrophobicContact CB-CB 4.21Å; K133-E136 HydrophobicContact CB-CG 4.4Å; K133-E136 IonicContact NZ-OE1 3.27Å; K133-E136 PolarHBondContact NZ-OE1 3.23Å; K133-E136 IonicContact NZ-OE2 2.78Å; K133-E136 PolarHBondContact NZ-OE2 3.26Å; K133-E136 PolarHBondContact O-N 2.81Å; E136-D138 VanDerWaalsContact C-N 3.28Å; E136-D138 PolarHBondContact O-N 3.09Å; E136-D138 VanDerWaalsContact O-N 3.08Å; E136-N139 WeakPolarHBondContact O-CB 3.25Å; E136-N139 PolarHBondContact O-N 3.12Å; E136-N139 VanDerWaalsContact O-N 3.08Å; E136-N139 PolarHBondContact O-ND2 2.87Å; E136-N141 PolarHBondContact OE2-ND2 3.4Å
137	A	52.3	Low	79.7	Confident	37 Å²	37	59.3 Å²	59.3	31%	0.306	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-37.1	-169.3	0	0	0	0	0	115.4	K133 N139	K133-A137 PolarHBondContact O-N 3.34Å; A137-N139 VanDerWaalsContact C-N 3.27Å; A137-N139 PolarHBondContact O-N 3.12Å
138	D	55.6	Low	79.9	Confident	163 Å²	163	57.3 Å²	57.3	87%	0.872	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	4.1	-177.9	-58.3	-26.1	0	0	0	115.1	E136	E136-D138 VanDerWaalsContact C-N 3.28Å; E136-D138 PolarHBondContact O-N 3.09Å; E136-D138 VanDerWaalsContact O-N 3.08Å
139	N	56.7	Low	79.8	Confident	111 Å²	111	60.8 Å²	60.8	59%	0.594	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	26.1	-165.8	-62.6	-80.1	0	0	0	115.9	E136 A137 N141	E136-N139 WeakPolarHBondContact O-CB 3.25Å; E136-N139 PolarHBondContact O-N 3.12Å; E136-N139 VanDerWaalsContact O-N 3.08Å; E136-N139 PolarHBondContact O-ND2 2.87Å; A137-N139 VanDerWaalsContact C-N 3.27Å; A137-N139 PolarHBondContact O-N 3.12Å; N139-N141 PolarHBondContact O-N 3.11Å
140	D	62.2	Low	79.6	Confident	147 Å²	147	65.9 Å²	65.9	79%	0.786	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	10.6	-173.5	-63.7	-39.6	0	0	0	114.9	Y142	D140-Y142 PolarHBondContact O-N 3.16Å; D140-Y142 VanDerWaalsContact O-N 3.17Å
141	N	77.7	Confident	79.3	Confident	91 Å²	91	67.8 Å²	67.8	49%	0.487	34%	0.342	S	S	.	.			trans	-95.7	60.5	-169.2	-162.3	34.4	0	0	0	111.9	E136 N139	E136-N141 PolarHBondContact OE2-ND2 3.4Å; N139-N141 PolarHBondContact O-N 3.11Å
142	Y	85.9	Confident	79.1	Confident	68 Å²	68	75.5 Å²	75.5	27%	0.267	38%	0.376	S	S	.	.			trans	-109.5	149.8	-179.8	59.8	-100.5	0	0	0	113.4	E125 V130 R131 D140 V144	E125-Y142 HydrophobicContact CG-CE1 4.14Å; V130-Y142 HydrophobicContact CB-CD2 3.93Å; V130-Y142 HydrophobicContact CB-CG 4.3Å; V130-Y142 HydrophobicContact CG1-CD2 3.67Å; V130-Y142 HydrophobicContact CG1-CE2 4Å; V130-Y142 HydrophobicContact CG1-CG 4.44Å; V130-Y142 HydrophobicContact CG2-CD2 4.46Å; V130-Y142 HydrophobicContact CG2-CG 4.46Å; R131-Y142 CarbonylContact O-C 3.59Å; R131-Y142 VanDerWaalsContact O-CA 3.29Å; R131-Y142 WeakPolarHBondContact O-CA 3.37Å; D140-Y142 PolarHBondContact O-N 3.16Å; D140-Y142 VanDerWaalsContact O-N 3.17Å; Y142-V144 HydrophobicContact CD2-CG2 4.19Å; Y142-V144 HydrophobicContact CE2-CG2 4Å
143	E	90	Very high	78.8	Confident	62 Å²	62	78.2 Å²	78.2	29%	0.29	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.9	172	-177.8	-171.2	150.5	0	0	109.1	V130 R131 L145	V130-E143 CarbonylContact C-O 3.51Å; V130-E143 VanDerWaalsContact CA-O 3.26Å; V130-E143 WeakPolarHBondContact CA-O 3.49Å; R131-E143 HydrophobicContact CG-CB 4.05Å; R131-E143 IonicContact CZ-OE1 2.72Å; R131-E143 IonicContact CZ-OE2 3.9Å; R131-E143 PolarHBondContact N-O 3.44Å; R131-E143 VanDerWaalsContact NE-CD 3.34Å; R131-E143 IonicContact NE-OE1 2.62Å; R131-E143 IonicContact NE-OE2 2.67Å; R131-E143 PolarHBondContact NE-OE2 2.84Å; R131-E143 IonicContact NH2-OE1 3.61Å; R131-E143 PolarHBondContact NH2-OE1 2.96Å; R131-E143 IonicContact NH2-OE2 2.88Å; R131-E143 PolarHBondContact NH2-OE2 3.22Å; R131-E143 PolarHBondContact O-N 2.82Å; E143-L145 HydrophobicContact CG-CD2 4.13Å; E143-L145 PolarHBondContact O-N 3.17Å
144	V	92.1	Very high	78.5	Confident	36 Å²	36	79.7 Å²	79.7	22%	0.218	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.9	175.4	178.1	0	0	0	0	109.7	F93 C128 V130 Y142	F93-V144 HydrophobicContact CD1-CB 4.43Å; F93-V144 HydrophobicContact CD1-CG1 4.24Å; F93-V144 HydrophobicContact CE1-CB 4.42Å; F93-V144 HydrophobicContact CE1-CG1 4.07Å; C128-V144 HydrophobicContact CB-CG1 4.06Å; V130-V144 HydrophobicContact CG1-CG2 4.22Å; Y142-V144 HydrophobicContact CD2-CG2 4.19Å; Y142-V144 HydrophobicContact CE2-CG2 4Å
145	L	94.1	Very high	78.9	Confident	4 Å²	4	82.5 Å²	82.5	2%	0.021	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-35.5	-177.4	-58.2	-177.7	0	0	0	112.8	Y122 L129 R131 E143 V170 I187 L189 P193	Y122-L145 HydrophobicContact CD1-CD1 3.67Å; Y122-L145 HydrophobicContact CE1-CD1 3.76Å; L129-L145 HydrophobicContact CB-CB 4.5Å; L129-L145 HydrophobicContact CD2-CB 4.09Å; L129-L145 HydrophobicContact CD2-CD1 4.32Å; L129-L145 HydrophobicContact CG-CB 4.05Å; L129-L145 HydrophobicContact CG-CD1 4.19Å; L129-L145 WeakPolarHBondContact O-CB 3.23Å; L129-L145 PolarHBondContact O-N 3.3Å; R131-L145 HydrophobicContact CB-CD1 4.08Å; R131-L145 HydrophobicContact CG-CD1 4.09Å; R131-L145 HydrophobicContact CG-CD2 4.06Å; R131-L145 HydrophobicContact CG-CG 4.26Å; E143-L145 HydrophobicContact CG-CD2 4.13Å; E143-L145 PolarHBondContact O-N 3.17Å; L145-V170 HydrophobicContact CD1-CG2 4.45Å; L145-I187 HydrophobicContact CB-CG2 4.39Å; L145-I187 WeakPolarHBondContact O-CG2 3.28Å; L145-L189 HydrophobicContact CD1-CD2 3.92Å; L145-L189 HydrophobicContact CD2-CD2 3.56Å; L145-L189 HydrophobicContact CG-CD2 4.31Å; L145-P193 HydrophobicContact CD2-CB 4.22Å; L145-P193 HydrophobicContact CD2-CG 3.73Å; L145-P193 WeakPolarHBondContact O-CB 3.47Å
146	F	94.8	Very high	80.1	Confident	8 Å²	8	74.1 Å²	74.1	4%	0.035	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	143.9	178.9	-178.3	-116.5	0	0	0	111.9	C128 L129 L148 E150 L151 I174 V185 I187 M195	C128-F146 CarbonylContact C-O 3.52Å; C128-F146 VanDerWaalsContact CA-O 3.31Å; C128-F146 WeakPolarHBondContact CA-O 3.44Å; L129-F146 HydrophobicContact CB-CB 4.27Å; L129-F146 PolarHBondContact N-O 2.93Å; L129-F146 PolarHBondContact O-N 3.26Å; F146-L148 HydrophobicContact CD1-CD2 4.17Å; F146-L148 HydrophobicContact CE1-CD2 4.36Å; F146-E150 HydrophobicContact CE2-CB 4.13Å; F146-E150 HydrophobicContact CE2-CG 4.47Å; F146-E150 HydrophobicContact CZ-CB 4.03Å; F146-L151 HydrophobicContact CE1-CD1 4.22Å; F146-L151 HydrophobicContact CE1-CD2 4.33Å; F146-L151 HydrophobicContact CE1-CG 4.02Å; F146-L151 HydrophobicContact CZ-CD2 3.99Å; F146-L151 HydrophobicContact CZ-CG 4.04Å; F146-I174 HydrophobicContact CE1-CD1 4.37Å; F146-V185 HydrophobicContact CD1-CG2 4.1Å; F146-V185 HydrophobicContact CE1-CG1 4.02Å; F146-V185 HydrophobicContact CE1-CG2 4.22Å; F146-V185 HydrophobicContact CZ-CG1 4.31Å; F146-I187 HydrophobicContact CB-CD1 3.66Å; F146-I187 HydrophobicContact CB-CG1 3.93Å; F146-I187 HydrophobicContact CD1-CD1 4.24Å; F146-I187 HydrophobicContact CD2-CD1 3.78Å; F146-I187 HydrophobicContact CG-CD1 3.63Å; F146-I187 HydrophobicContact CG-CG1 4.39Å; F146-M195 HydrophobicContact CD2-CB 4.48Å; F146-M195 HydrophobicContact CE2-CB 4.26Å; F146-M195 HydrophobicContact CE2-CE 4.41Å; F146-M195 HydrophobicContact CE2-SD 4.17Å; F146-M195 HydrophobicContact CZ-SD 4.13Å
147	N	92.2	Very high	81.5	Confident	23 Å²	23	73.7 Å²	73.7	12%	0.123	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.1	172.5	177.3	11.1	0	0	0	110.7	V96 C127 E149 E150	V96-N147 VanDerWaalsContact CG2-ND2 3.35Å; V96-N147 WeakPolarHBondContact CG2-ND2 3.07Å; C127-N147 PolarHBondContact O-OD1 2.63Å; N147-E149 PolarHBondContact O-N 2.96Å; N147-E149 WeakPolarHBondContact OD1-CB 3.37Å; N147-E149 WeakPolarHBondContact OD1-CG 3.3Å; N147-E149 PolarHBondContact OD1-N 3.47Å; N147-E150 HydrophobicContact CB-CG 4.35Å; N147-E150 WeakPolarHBondContact O-CB 3.29Å; N147-E150 PolarHBondContact O-N 3.21Å; N147-E150 VanDerWaalsContact O-N 3.16Å
148	L	90.1	Very high	83.3	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-63.3	-25	-179	-57.2	174.6	0	0	0	112.7	Q124 C127 F146 E150 L151 P156 I158 I174	Q124-L148 HydrophobicContact CG-CD1 4.43Å; C127-L148 VanDerWaalsContact O-CB 3.24Å; C127-L148 WeakPolarHBondContact O-CB 3.46Å; C127-L148 WeakPolarHBondContact O-CG 3.34Å; C127-L148 PolarHBondContact O-N 3.08Å; F146-L148 HydrophobicContact CD1-CD2 4.17Å; F146-L148 HydrophobicContact CE1-CD2 4.36Å; L148-E150 PolarHBondContact O-N 3.22Å; L148-L151 WeakPolarHBondContact O-CB 3.48Å; L148-L151 PolarHBondContact O-N 2.93Å; L148-L151 VanDerWaalsContact O-N 3.14Å; L148-P156 HydrophobicContact CB-CB 4.12Å; L148-P156 HydrophobicContact CB-CG 3.67Å; L148-I158 HydrophobicContact CD1-CD1 4.35Å; L148-I158 HydrophobicContact CD1-CG1 4.1Å; L148-I158 HydrophobicContact CD2-CD1 4.21Å; L148-I158 HydrophobicContact CD2-CG1 4.05Å; L148-I174 HydrophobicContact CD2-CD1 3.34Å; L148-I174 HydrophobicContact CD2-CG1 3.67Å; L148-I174 HydrophobicContact CD2-CG2 4.29Å
149	E	88	Confident	84.8	Confident	73 Å²	73	65.3 Å²	65.3	34%	0.341	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-63	-22.3	177.1	-59.6	-173.7	172.9	0	0	112.8	K99 C127 N147 L151 K152	K99-E149 VanDerWaalsContact NZ-CD 3.29Å; K99-E149 IonicContact NZ-OE1 2.75Å; K99-E149 PolarHBondContact NZ-OE1 3.31Å; K99-E149 IonicContact NZ-OE2 2.72Å; K99-E149 PolarHBondContact NZ-OE2 3.44Å; C127-E149 HydrophobicContact CB-CG 4.01Å; C127-E149 PolarHBondContact SG-OE1 2.81Å; N147-E149 PolarHBondContact O-N 2.96Å; N147-E149 WeakPolarHBondContact OD1-CB 3.37Å; N147-E149 WeakPolarHBondContact OD1-CG 3.3Å; N147-E149 PolarHBondContact OD1-N 3.47Å; E149-L151 PolarHBondContact O-N 2.99Å; E149-K152 PolarHBondContact O-N 3.24Å
150	E	88.8	Confident	86.4	Confident	108 Å²	108	60.2 Å²	60.2	51%	0.505	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-61.4	-28.4	175.3	-68.8	-176.7	-137	0	0	112.7	F146 N147 L148 K152	F146-E150 HydrophobicContact CE2-CB 4.13Å; F146-E150 HydrophobicContact CE2-CG 4.47Å; F146-E150 HydrophobicContact CZ-CB 4.03Å; N147-E150 HydrophobicContact CB-CG 4.35Å; N147-E150 WeakPolarHBondContact O-CB 3.29Å; N147-E150 PolarHBondContact O-N 3.21Å; N147-E150 VanDerWaalsContact O-N 3.16Å; L148-E150 PolarHBondContact O-N 3.22Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.28Å
151	L	87	Confident	87.8	Confident	41 Å²	41	53.2 Å²	53.2	22%	0.215	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-74.9	-15.8	177.5	-59.2	-176.9	0	0	0	113.3	F146 L148 E149 L153 I174 T183 V185	F146-L151 HydrophobicContact CE1-CD1 4.22Å; F146-L151 HydrophobicContact CE1-CD2 4.33Å; F146-L151 HydrophobicContact CE1-CG 4.02Å; F146-L151 HydrophobicContact CZ-CD2 3.99Å; F146-L151 HydrophobicContact CZ-CG 4.04Å; L148-L151 WeakPolarHBondContact O-CB 3.48Å; L148-L151 PolarHBondContact O-N 2.93Å; L148-L151 VanDerWaalsContact O-N 3.14Å; E149-L151 PolarHBondContact O-N 2.99Å; L151-L153 HydrophobicContact CB-CD1 4.02Å; L151-L153 HydrophobicContact CB-CG 3.93Å; L151-L153 HydrophobicContact CD1-CD1 3.98Å; L151-L153 PolarHBondContact O-N 3.04Å; L151-I174 HydrophobicContact CD1-CB 4.36Å; L151-I174 HydrophobicContact CD1-CD1 3.59Å; L151-I174 HydrophobicContact CD1-CG2 4.2Å; L151-T183 HydrophobicContact CD1-CG2 4.29Å; L151-T183 HydrophobicContact CD2-CG2 4.49Å; L151-V185 HydrophobicContact CD1-CG1 4.06Å; L151-V185 HydrophobicContact CD2-CG1 3.97Å
152	K	88.3	Confident	88.5	Confident	190 Å²	190	49.1 Å²	49.1	83%	0.826	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	31.9	-178.3	-53.6	172.8	-171.2	172.9	0	113.5	E149 E150	E149-K152 PolarHBondContact O-N 3.24Å; E150-K152 VanDerWaalsContact C-N 3.28Å; E150-K152 PolarHBondContact O-N 3.28Å
153	L	82.9	Confident	88.9	Confident	61 Å²	61	45.9 Å²	45.9	32%	0.319	22%	0.223	S	C	.	.			trans	-79.3	151.2	167.2	-64.6	175.7	0	0	0	109.1	L151 P156 I174 T176	L151-L153 HydrophobicContact CB-CD1 4.02Å; L151-L153 HydrophobicContact CB-CG 3.93Å; L151-L153 HydrophobicContact CD1-CD1 3.98Å; L151-L153 PolarHBondContact O-N 3.04Å; L153-P156 HydrophobicContact CB-CB 3.97Å; L153-P156 HydrophobicContact CB-CG 4.31Å; L153-P156 HydrophobicContact CD1-CB 4.24Å; L153-I174 HydrophobicContact CD1-CG2 3.91Å; L153-T176 HydrophobicContact CB-CG2 3.75Å; L153-T176 HydrophobicContact CD1-CG2 4.33Å; L153-T176 HydrophobicContact CD2-CG2 4.26Å; L153-T176 HydrophobicContact CG-CG2 4.33Å
154	D	80.4	Confident	89.1	Confident	124 Å²	124	42.9 Å²	42.9	66%	0.663	21%	0.209	S	C	*	.	S	Bend	trans	-85.2	129.3	170.9	-159.8	-0.5	0	0	0	109.3	T176	D154-T176 WeakPolarHBondContact O-CB 3.4Å; D154-T176 WeakPolarHBondContact O-CG2 3.47Å
155	Q	79.9	Confident	89	Confident	139 Å²	139	43.2 Å²	43.2	65%	0.65	21%	0.211	S	C	*	.	S	Bend	trans	38.1	62.3	-176.2	-60.4	179.9	43.4	0	0	114.4
156	P	86.5	Confident	88.7	Confident	15 Å²	15	44.5 Å²	44.5	10%	0.097	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	138	-179.6	28.3	-33.5	0	0	0	112.8	L148 L153 I174 R175	L148-P156 HydrophobicContact CB-CB 4.12Å; L148-P156 HydrophobicContact CB-CG 3.67Å; L153-P156 HydrophobicContact CB-CB 3.97Å; L153-P156 HydrophobicContact CB-CG 4.31Å; L153-P156 HydrophobicContact CD1-CB 4.24Å; P156-I174 HydrophobicContact CB-CG2 3.73Å; P156-R175 WeakPolarHBondContact CA-O 3.36Å
157	F	87.1	Confident	88.5	Confident	46 Å²	46	46.4 Å²	46.4	20%	0.202	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155.7	170.2	70	-89.9	0	0	0	112	Q124 D159 I174 R175 E177	Q124-F157 VanDerWaalsContact OE1-CA 3.31Å; F157-D159 HydrophobicContact CD2-CB 4.35Å; F157-D159 HydrophobicContact CE2-CB 3.91Å; F157-I174 CarbonylContact O-C 3.56Å; F157-I174 VanDerWaalsContact O-CA 3.27Å; F157-I174 WeakPolarHBondContact O-CA 3.25Å; F157-R175 HydrophobicContact CE1-CB 4.18Å; F157-R175 HydrophobicContact CE2-CB 4.34Å; F157-R175 HydrophobicContact CZ-CB 3.93Å; F157-R175 PolarHBondContact N-O 3.02Å; F157-R175 PolarHBondContact O-N 3.39Å; F157-E177 HydrophobicContact CE1-CG 4.18Å
158	I	89.4	Confident	88.5	Confident	4 Å²	4	50.2 Å²	50.2	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	115.9	179.4	-61.7	174.4	0	0	0	108.8	V113 Q124 L129 L148 I161 A172 I174	V113-I158 WeakPolarHBondContact CG2-O 3.37Å; Q124-I158 HydrophobicContact CB-CD1 4.05Å; Q124-I158 HydrophobicContact CB-CG1 4.48Å; Q124-I158 HydrophobicContact CG-CD1 4.43Å; L129-I158 HydrophobicContact CB-CD1 3.74Å; L129-I158 HydrophobicContact CD1-CD1 3.8Å; L129-I158 HydrophobicContact CG-CD1 4.33Å; L148-I158 HydrophobicContact CD1-CD1 4.35Å; L148-I158 HydrophobicContact CD1-CG1 4.1Å; L148-I158 HydrophobicContact CD2-CD1 4.21Å; L148-I158 HydrophobicContact CD2-CG1 4.05Å; I158-I161 HydrophobicContact CG2-CD1 3.99Å; I158-I161 HydrophobicContact CG2-CG1 3.5Å; I158-A172 HydrophobicContact CG2-CB 4.35Å; I158-I174 HydrophobicContact CG1-CG1 4.03Å
159	D	86.6	Confident	88.7	Confident	21 Å²	21	51 Å²	51	11%	0.112	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-5.2	-174.7	-174.7	71.1	0	0	0	112.7	F157 K173 R175	F157-D159 HydrophobicContact CD2-CB 4.35Å; F157-D159 HydrophobicContact CE2-CB 3.91Å; D159-K173 PolarHBondContact N-O 3.49Å; D159-K173 WeakPolarHBondContact OD2-CE 3.28Å; D159-K173 IonicContact OD2-NZ 2.68Å; D159-K173 PolarHBondContact OD2-NZ 3.1Å; D159-R175 HydrophobicContact CB-CG 4.06Å; D159-R175 IonicContact OD1-CZ 3.16Å; D159-R175 IonicContact OD1-NE 2.63Å; D159-R175 PolarHBondContact OD1-NE 3.24Å; D159-R175 IonicContact OD1-NH2 3.51Å; D159-R175 PolarHBondContact OD1-NH2 3.32Å; D159-R175 IonicContact OD2-CZ 3.43Å; D159-R175 IonicContact OD2-NE 2.66Å; D159-R175 PolarHBondContact OD2-NE 2.95Å; D159-R175 IonicContact OD2-NH2 3.41Å
160	C	89.8	Confident	89.1	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.02	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	142.1	176.8	161.9	0	0	0	0	110.8	D35 A172 K173 F205	D35-C160 PolarHBondContact OD1-SG 2.94Å; D35-C160 WeakPolarHBondContact OD2-CA 3.36Å; D35-C160 WeakPolarHBondContact OD2-CB 3.37Å; D35-C160 PolarHBondContact OD2-SG 3.01Å; C160-A172 WeakPolarHBondContact O-CA 3.28Å; C160-K173 HydrophobicContact CB-CB 4.16Å; C160-K173 HydrophobicContact CB-CD 4.43Å; C160-K173 PolarHBondContact N-O 3.4Å; C160-K173 PolarHBondContact O-N 3.03Å; C160-F205 HydrophobicContact CB-CE1 4.05Å; C160-F205 HydrophobicContact CB-CZ 4.1Å; C160-F205 WeakPolarHBondContact SG-CE1 3.45Å; C160-F205 WeakPolarHBondContact SG-CZ 3.45Å
161	I	92.6	Very high	89.5	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	135.6	176.1	-60.6	-177	0	0	0	110.7	D35 V113 V115 L129 I158 V163 V170	D35-I161 PolarHBondContact OD2-N 2.99Å; V113-I161 HydrophobicContact CB-CG1 4.39Å; V113-I161 HydrophobicContact CG1-CB 4.34Å; V113-I161 HydrophobicContact CG1-CG1 4.17Å; V113-I161 WeakPolarHBondContact O-CD1 3.38Å; V115-I161 HydrophobicContact CB-CB 4.32Å; V115-I161 HydrophobicContact CB-CG2 4.14Å; V115-I161 HydrophobicContact CG2-CB 3.84Å; V115-I161 HydrophobicContact CG2-CG2 4.16Å; L129-I161 HydrophobicContact CD1-CD1 3.73Å; L129-I161 HydrophobicContact CD1-CG1 4.46Å; I158-I161 HydrophobicContact CG2-CD1 3.99Å; I158-I161 HydrophobicContact CG2-CG1 3.5Å; I161-V163 HydrophobicContact CG2-CG2 4.38Å; I161-V170 HydrophobicContact CG2-CG1 3.79Å
162	R	92.6	Very high	89.9	Confident	5 Å²	5	40.5 Å²	40.5	2%	0.019	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	104.7	170.6	-74.5	-69.6	173.2	-61.7	-13.9	111.7	D35 Y37 V170 A171 F205 E206 W207	D35-R162 IonicContact OD1-CZ 3.1Å; D35-R162 VanDerWaalsContact OD1-CZ 3.24Å; D35-R162 IonicContact OD1-NH1 3.76Å; D35-R162 PolarHBondContact OD1-NH1 3.03Å; D35-R162 IonicContact OD1-NH2 2.69Å; D35-R162 PolarHBondContact OD1-NH2 3.42Å; D35-R162 IonicContact OD2-NH1 3.76Å; D35-R162 PolarHBondContact OD2-NH1 3.13Å; D35-R162 VanDerWaalsContact OD2-NH1 3.13Å; Y37-R162 VanDerWaalsContact OH-C 3.26Å; Y37-R162 WeakPolarHBondContact OH-CA 3.35Å; Y37-R162 WeakPolarHBondContact OH-CD 3.48Å; R162-V170 CarbonylContact O-C 3.37Å; R162-V170 WeakPolarHBondContact O-CA 3.4Å; R162-A171 HydrophobicContact CB-CB 4.21Å; R162-A171 PolarHBondContact N-O 3.2Å; R162-A171 PolarHBondContact O-N 3.43Å; R162-F205 HydrophobicContact CB-CD2 3.92Å; R162-F205 HydrophobicContact CB-CE2 3.67Å; R162-F205 HydrophobicContact CG-CD2 3.7Å; R162-F205 HydrophobicContact CG-CE2 3.61Å; R162-F205 HydrophobicContact CG-CZ 4.34Å; R162-F205 WeakPolarHBondContact CG-O 3.49Å; R162-F205 PolarHBondContact NE-O 3.2Å; R162-E206 WeakPolarHBondContact CD-OE2 3.32Å; R162-E206 IonicContact CZ-OE1 2.69Å; R162-E206 IonicContact CZ-OE2 2.7Å; R162-E206 IonicContact NE-OE1 2.78Å; R162-E206 PolarHBondContact NE-OE1 3.36Å; R162-E206 IonicContact NE-OE2 2.64Å; R162-E206 PolarHBondContact NE-OE2 3.46Å; R162-E206 IonicContact NH2-OE1 3.96Å; R162-E206 PolarHBondContact NH2-OE1 3.42Å; R162-E206 IonicContact NH2-OE2 3.3Å; R162-W207 PolarHBondContact O-NE1 3.03Å
163	V	93.4	Very high	90.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	134	167.4	-172.6	0	0	0	0	110.1	Y37 V115 H117 Y122 I161 V170	Y37-V163 WeakPolarHBondContact CE1-O 3.49Å; Y37-V163 PolarHBondContact OH-N 3.13Å; Y37-V163 PolarHBondContact OH-O 3.36Å; V115-V163 HydrophobicContact CG1-CG2 3.92Å; H117-V163 HydrophobicContact CB-CB 3.86Å; H117-V163 HydrophobicContact CB-CG1 3.92Å; H117-V163 HydrophobicContact CB-CG2 3.96Å; Y122-V163 HydrophobicContact CD1-CG2 4.05Å; Y122-V163 HydrophobicContact CD2-CG2 3.53Å; Y122-V163 HydrophobicContact CE1-CG2 4.17Å; Y122-V163 HydrophobicContact CE2-CG1 4.17Å; Y122-V163 HydrophobicContact CE2-CG2 3.66Å; Y122-V163 HydrophobicContact CG-CG2 3.75Å; I161-V163 HydrophobicContact CG2-CG2 4.38Å; V163-V170 HydrophobicContact CG1-CG2 4.5Å; V163-V170 HydrophobicContact CG2-CG1 4.43Å; V163-V170 HydrophobicContact CG2-CG2 4.3Å
164	A	93.6	Very high	90.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.145	C	C	.	.			trans	-76.3	144.4	-179.5	0	0	0	0	0	111.7	D166 E167 Y169 W207 D215	A164-D166 PolarHBondContact O-N 3.14Å; A164-E167 PolarHBondContact O-N 2.85Å; A164-Y169 WeakPolarHBondContact CB-O 3.44Å; A164-Y169 PolarHBondContact N-O 3.39Å; A164-W207 HydrophobicContact CB-CD2 3.57Å; A164-W207 HydrophobicContact CB-CE3 3.88Å; A164-W207 HydrophobicContact CB-CG 3.92Å; A164-W207 HydrophobicContact CB-CH2 4.25Å; A164-W207 HydrophobicContact CB-CZ2 3.98Å; A164-W207 HydrophobicContact CB-CZ3 4.2Å; A164-D215 HydrophobicContact CB-CB 4.15Å; A164-D215 WeakPolarHBondContact CB-OD2 3.1Å
165	P	90.3	Very high	90.8	Very high	42 Å²	42	25.9 Å²	25.9	27%	0.273	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.6	-172.3	-30.9	36.5	0	0	0	117.6	R40 W207 K209 D215	R40-P165 PolarHBondContact NH2-O 3.04Å; P165-W207 HydrophobicContact CG-CB 4.32Å; P165-K209 HydrophobicContact CB-CB 4.05Å; P165-K209 HydrophobicContact CB-CD 4.25Å; P165-K209 HydrophobicContact CG-CB 4.14Å; P165-D215 WeakPolarHBondContact CD-OD2 3.26Å; P165-D215 VanDerWaalsContact N-OD2 3.15Å
166	D	88.7	Confident	90.9	Very high	32 Å²	32	20.3 Å²	20.3	17%	0.171	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	4.9	175.2	79.7	20.2	0	0	0	115.8	A164 K168 K209 D215	A164-D166 PolarHBondContact O-N 3.14Å; D166-K168 PolarHBondContact O-N 3.5Å; D166-K168 WeakPolarHBondContact OD1-CB 3.42Å; D166-K168 WeakPolarHBondContact OD1-CD 3.32Å; D166-K168 WeakPolarHBondContact OD1-CG 3.26Å; D166-K168 PolarHBondContact OD1-N 3.08Å; D166-K168 IonicContact OD1-NZ 3.15Å; D166-K168 WeakPolarHBondContact OD2-CD 3.43Å; D166-K168 WeakPolarHBondContact OD2-CE 3.46Å; D166-K168 IonicContact OD2-NZ 3.7Å; D166-K168 PolarHBondContact OD2-NZ 3.19Å; D166-K209 IonicContact OD2-NZ 3.18Å; D166-D215 PolarHBondContact N-OD2 2.86Å
167	E	89.6	Confident	90.1	Very high	47 Å²	47	24.5 Å²	24.5	22%	0.22	12%	0.116	C	C	.	.	S	Bend	trans	65.8	17	174.7	-54.2	166.4	-132.4	0	0	114.1	R40 G118 A164 L189	R40-E167 IonicContact CZ-OE1 3.2Å; R40-E167 IonicContact NH1-OE1 3.76Å; R40-E167 PolarHBondContact NH1-OE1 2.95Å; R40-E167 IonicContact NH2-OE1 2.62Å; R40-E167 PolarHBondContact NH2-OE1 2.81Å; G118-E167 WeakPolarHBondContact CA-OE1 3.44Å; G118-E167 WeakPolarHBondContact CA-OE2 3.34Å; A164-E167 PolarHBondContact O-N 2.85Å; E167-L189 WeakPolarHBondContact O-CD1 3.34Å
168	K	92.3	Very high	89.1	Confident	104 Å²	104	26.6 Å²	26.6	45%	0.452	13%	0.13	S	C	.	.	S	Bend	trans	-81.7	-21.1	169.4	-66.3	166.5	-160.7	152.1	0	114.4	D166 K188 L189	D166-K168 PolarHBondContact O-N 3.5Å; D166-K168 WeakPolarHBondContact OD1-CB 3.42Å; D166-K168 WeakPolarHBondContact OD1-CD 3.32Å; D166-K168 WeakPolarHBondContact OD1-CG 3.26Å; D166-K168 PolarHBondContact OD1-N 3.08Å; D166-K168 IonicContact OD1-NZ 3.15Å; D166-K168 WeakPolarHBondContact OD2-CD 3.43Å; D166-K168 WeakPolarHBondContact OD2-CE 3.46Å; D166-K168 IonicContact OD2-NZ 3.7Å; D166-K168 PolarHBondContact OD2-NZ 3.19Å; K168-K188 WeakPolarHBondContact O-CA 3.28Å; K168-L189 PolarHBondContact O-N 3.4Å
169	Y	95.5	Very high	88.3	Confident	17 Å²	17	28.3 Å²	28.3	7%	0.067	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	149.2	-172.3	-63	-77.6	0	0	0	113.2	A164 I186 I187 K188 E196 W207 F235 G236	A164-Y169 WeakPolarHBondContact CB-O 3.44Å; A164-Y169 PolarHBondContact N-O 3.39Å; Y169-I186 HydrophobicContact CD1-CG2 4.18Å; Y169-I187 CarbonylContact C-O 3.56Å; Y169-I187 VanDerWaalsContact CA-O 3.3Å; Y169-I187 WeakPolarHBondContact CA-O 3.39Å; Y169-K188 HydrophobicContact CD1-CB 3.95Å; Y169-K188 HydrophobicContact CD1-CG 4.14Å; Y169-K188 HydrophobicContact CE1-CB 3.73Å; Y169-K188 HydrophobicContact CE1-CD 4Å; Y169-K188 HydrophobicContact CE1-CG 3.64Å; Y169-E196 HydrophobicContact CE1-CB 4.34Å; Y169-E196 HydrophobicContact CE1-CG 3.97Å; Y169-W207 HydrophobicContact CD2-CH2 4.36Å; Y169-W207 HydrophobicContact CG-CH2 4.08Å; Y169-F235 HydrophobicContact CE1-CB 3.76Å; Y169-F235 HydrophobicContact CE1-CG 4.39Å; Y169-F235 HydrophobicContact CE2-CB 4.04Å; Y169-F235 VanDerWaalsContact CZ-CB 3.49Å; Y169-F235 WeakPolarHBondContact OH-CB 3.49Å; Y169-G236 PolarHBondContact OH-N 3.09Å
170	V	96.3	Very high	87.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	125	167.1	-173.4	0	0	0	0	108.3	Y122 L129 L145 I161 R162 V163 I186 I187 L189	Y122-V170 HydrophobicContact CD1-CG2 3.9Å; Y122-V170 HydrophobicContact CE1-CG2 3.57Å; L129-V170 HydrophobicContact CD2-CG1 4.22Å; L145-V170 HydrophobicContact CD1-CG2 4.45Å; I161-V170 HydrophobicContact CG2-CG1 3.79Å; R162-V170 CarbonylContact O-C 3.37Å; R162-V170 WeakPolarHBondContact O-CA 3.4Å; V163-V170 HydrophobicContact CG1-CG2 4.5Å; V163-V170 HydrophobicContact CG2-CG1 4.43Å; V163-V170 HydrophobicContact CG2-CG2 4.3Å; V170-I186 CarbonylContact O-C 3.55Å; V170-I187 PolarHBondContact N-O 2.97Å; V170-I187 PolarHBondContact O-N 3.35Å; V170-L189 HydrophobicContact CG2-CD1 3.66Å; V170-L189 HydrophobicContact CG2-CD2 3.95Å; V170-L189 HydrophobicContact CG2-CG 3.97Å
171	A	96.6	Very high	87.1	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	132.7	166.9	0	0	0	0	0	108.6	R162 V185 I186 F205 W207 L217	R162-A171 HydrophobicContact CB-CB 4.21Å; R162-A171 PolarHBondContact N-O 3.2Å; R162-A171 PolarHBondContact O-N 3.43Å; A171-V185 CarbonylContact C-O 3.51Å; A171-V185 VanDerWaalsContact CA-O 3.29Å; A171-V185 WeakPolarHBondContact CA-O 3.42Å; A171-I186 HydrophobicContact CB-CD1 3.44Å; A171-I186 VanDerWaalsContact CB-CD1 3.44Å; A171-F205 HydrophobicContact CB-CD2 3.71Å; A171-F205 HydrophobicContact CB-CE2 3.48Å; A171-F205 VanDerWaalsContact CB-CE2 3.48Å; A171-W207 HydrophobicContact CB-CZ2 4.12Å; A171-L217 HydrophobicContact CB-CD1 4.25Å
172	A	95.6	Very high	86.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	125.4	178	0	0	0	0	0	110.1	L129 I158 C160 C184 V185	L129-A172 HydrophobicContact CD2-CB 4.17Å; I158-A172 HydrophobicContact CG2-CB 4.35Å; C160-A172 WeakPolarHBondContact O-CA 3.28Å; A172-C184 CarbonylContact O-C 3.56Å; A172-C184 VanDerWaalsContact O-CA 3.29Å; A172-C184 WeakPolarHBondContact O-CA 3.37Å; A172-V185 HydrophobicContact CB-CG2 4.14Å; A172-V185 PolarHBondContact N-O 3.1Å; A172-V185 PolarHBondContact O-N 3.37Å
173	K	93.5	Very high	86.8	Confident	18 Å²	18	32.6 Å²	32.6	8%	0.078	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	115.2	-179.7	177.3	-159.7	75.5	-170.8	0	109.2	D159 C160 V202 F205	D159-K173 PolarHBondContact N-O 3.49Å; D159-K173 WeakPolarHBondContact OD2-CE 3.28Å; D159-K173 IonicContact OD2-NZ 2.68Å; D159-K173 PolarHBondContact OD2-NZ 3.1Å; C160-K173 HydrophobicContact CB-CB 4.16Å; C160-K173 HydrophobicContact CB-CD 4.43Å; C160-K173 PolarHBondContact N-O 3.4Å; C160-K173 PolarHBondContact O-N 3.03Å; K173-V202 WeakPolarHBondContact CD-O 3.27Å; K173-F205 HydrophobicContact CB-CD1 4.43Å; K173-F205 HydrophobicContact CB-CE1 3.35Å; K173-F205 HydrophobicContact CB-CZ 3.59Å; K173-F205 HydrophobicContact CD-CE1 4.03Å; K173-F205 HydrophobicContact CG-CE1 4.16Å
174	I	91.5	Very high	86.9	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.2	-172.8	-62.9	150.7	0	0	0	108.7	F146 L148 L151 L153 P156 F157 I158 S182 T183 V185	F146-I174 HydrophobicContact CE1-CD1 4.37Å; L148-I174 HydrophobicContact CD2-CD1 3.34Å; L148-I174 HydrophobicContact CD2-CG1 3.67Å; L148-I174 HydrophobicContact CD2-CG2 4.29Å; L151-I174 HydrophobicContact CD1-CB 4.36Å; L151-I174 HydrophobicContact CD1-CD1 3.59Å; L151-I174 HydrophobicContact CD1-CG2 4.2Å; L153-I174 HydrophobicContact CD1-CG2 3.91Å; P156-I174 HydrophobicContact CB-CG2 3.73Å; F157-I174 CarbonylContact O-C 3.56Å; F157-I174 VanDerWaalsContact O-CA 3.27Å; F157-I174 WeakPolarHBondContact O-CA 3.25Å; I158-I174 HydrophobicContact CG1-CG1 4.03Å; I174-S182 CarbonylContact O-C 3.53Å; I174-S182 VanDerWaalsContact O-CA 3.26Å; I174-S182 WeakPolarHBondContact O-CA 3.35Å; I174-T183 PolarHBondContact N-O 3.49Å; I174-T183 PolarHBondContact O-N 2.99Å; I174-V185 HydrophobicContact CD1-CB 4.47Å; I174-V185 HydrophobicContact CD1-CG1 4.01Å; I174-V185 HydrophobicContact CD1-CG2 3.64Å
175	R	86.2	Confident	87	Confident	49 Å²	49	32.6 Å²	32.6	19%	0.185	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	173.1	175.3	-64.8	-158.1	-66.6	106	0.9	110.5	P156 F157 D159	P156-R175 WeakPolarHBondContact CA-O 3.36Å; F157-R175 HydrophobicContact CE1-CB 4.18Å; F157-R175 HydrophobicContact CE2-CB 4.34Å; F157-R175 HydrophobicContact CZ-CB 3.93Å; F157-R175 PolarHBondContact N-O 3.02Å; F157-R175 PolarHBondContact O-N 3.39Å; D159-R175 HydrophobicContact CB-CG 4.06Å; D159-R175 IonicContact OD1-CZ 3.16Å; D159-R175 IonicContact OD1-NE 2.63Å; D159-R175 PolarHBondContact OD1-NE 3.24Å; D159-R175 IonicContact OD1-NH2 3.51Å; D159-R175 PolarHBondContact OD1-NH2 3.32Å; D159-R175 IonicContact OD2-CZ 3.43Å; D159-R175 IonicContact OD2-NE 2.66Å; D159-R175 PolarHBondContact OD2-NE 2.95Å; D159-R175 IonicContact OD2-NH2 3.41Å
176	T	80.5	Confident	87.4	Confident	22 Å²	22	30.6 Å²	30.6	14%	0.135	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	153.4	165.9	66.9	0	0	0	0	108.1	L153 D154 D178 S179	L153-T176 HydrophobicContact CB-CG2 3.75Å; L153-T176 HydrophobicContact CD1-CG2 4.33Å; L153-T176 HydrophobicContact CD2-CG2 4.26Å; L153-T176 HydrophobicContact CG-CG2 4.33Å; D154-T176 WeakPolarHBondContact O-CB 3.4Å; D154-T176 WeakPolarHBondContact O-CG2 3.47Å; T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 3.07Å; T176-S179 PolarHBondContact O-N 2.91Å; T176-S179 VanDerWaalsContact O-N 3.1Å; T176-S179 WeakPolarHBondContact OG1-CB 3.33Å
177	E	70	Confident	87.7	Confident	104 Å²	104	29.1 Å²	29.1	49%	0.486	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-40.5	-176.8	-62.9	-170.9	175.2	0	0	112.3	F157 S179 N689	F157-E177 HydrophobicContact CE1-CG 4.18Å; E177-S179 VanDerWaalsContact C-N 3.27Å; E177-S179 PolarHBondContact O-N 3.47Å; E177-N689 PolarHBondContact O-ND2 3.01Å
178	D	67.4	Low	88	Confident	90 Å²	90	30.7 Å²	30.7	48%	0.481	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-2.6	179.8	-76.4	-42.1	0	0	0	114.7	T176 G688 N689	T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 3.07Å; D178-G688 WeakPolarHBondContact OD1-CA 3.37Å; D178-N689 PolarHBondContact O-ND2 3.22Å; D178-N689 VanDerWaalsContact O-ND2 3.12Å
179	S	71.5	Confident	88.1	Confident	40 Å²	40	26.6 Å²	26.6	28%	0.28	14%	0.14	S	C	.	.			trans	-132	138.6	-178.5	-148.3	0	0	0	0	116.9	T176 E177 A181 N689	T176-S179 PolarHBondContact O-N 2.91Å; T176-S179 VanDerWaalsContact O-N 3.1Å; T176-S179 WeakPolarHBondContact OG1-CB 3.33Å; E177-S179 VanDerWaalsContact C-N 3.27Å; E177-S179 PolarHBondContact O-N 3.47Å; S179-A181 VanDerWaalsContact C-N 3.27Å; S179-A181 VanDerWaalsContact OG-CB 3.31Å; S179-A181 WeakPolarHBondContact OG-CB 3.13Å; S179-A181 PolarHBondContact OG-N 3.09Å; S179-A181 VanDerWaalsContact OG-N 3.14Å; S179-N689 WeakPolarHBondContact CA-ND2 3.21Å; S179-N689 PolarHBondContact N-ND2 3.21Å
180	E	73.1	Confident	87.9	Confident	38 Å²	38	28.7 Å²	28.7	18%	0.178	16%	0.157	C	C	.	.	S	Bend	trans	-81.2	-5.8	160.5	-66.9	-163.1	-142.3	0	0	112.7	R647 N689	E180-R647 IonicContact OE1-CZ 3.67Å; E180-R647 IonicContact OE1-NE 3.77Å; E180-R647 PolarHBondContact OE1-NE 2.81Å; E180-R647 IonicContact OE1-NH2 2.63Å; E180-R647 IonicContact OE2-CZ 3.55Å; E180-R647 IonicContact OE2-NE 3.9Å; E180-R647 PolarHBondContact OE2-NE 3.03Å; E180-R647 IonicContact OE2-NH2 3.58Å; E180-R647 PolarHBondContact OE2-NH2 3.19Å; E180-N689 HydrophobicContact CG-CB 4.23Å
181	A	78.5	Confident	87.4	Confident	44 Å²	44	37 Å²	37	36%	0.364	20%	0.201	S	C	.	.			trans	-70.7	148.8	167.7	0	0	0	0	0	110.4	S179	S179-A181 VanDerWaalsContact C-N 3.27Å; S179-A181 VanDerWaalsContact OG-CB 3.31Å; S179-A181 WeakPolarHBondContact OG-CB 3.13Å; S179-A181 PolarHBondContact OG-N 3.09Å; S179-A181 VanDerWaalsContact OG-N 3.14Å
182	S	87.2	Confident	87	Confident	10 Å²	10	44.5 Å²	44.5	7%	0.07	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	167.4	-178	70.1	0	0	0	0	111.2	I174 N201 V202	I174-S182 CarbonylContact O-C 3.53Å; I174-S182 VanDerWaalsContact O-CA 3.26Å; I174-S182 WeakPolarHBondContact O-CA 3.35Å; S182-N201 PolarHBondContact O-N 3.33Å; S182-N201 WeakPolarHBondContact OG-CA 3Å; S182-V202 PolarHBondContact OG-N 3.43Å; S182-V202 PolarHBondContact OG-O 2.84Å
183	T	91.9	Very high	86.9	Confident	26 Å²	26	45.6 Å²	45.6	16%	0.16	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	119	165.5	-67.7	0	0	0	0	108.9	L151 I174 V185 S198	L151-T183 HydrophobicContact CD1-CG2 4.29Å; L151-T183 HydrophobicContact CD2-CG2 4.49Å; I174-T183 PolarHBondContact N-O 3.49Å; I174-T183 PolarHBondContact O-N 2.99Å; T183-V185 HydrophobicContact CG2-CG1 4.22Å; T183-S198 WeakPolarHBondContact CG2-OG 3.27Å
184	C	95.1	Very high	86.9	Confident	1 Å²	1	49 Å²	49	1%	0.007	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	113.2	170.5	-176.4	0	0	0	0	109.4	A172 S198 F199 V202	A172-C184 CarbonylContact O-C 3.56Å; A172-C184 VanDerWaalsContact O-CA 3.29Å; A172-C184 WeakPolarHBondContact O-CA 3.37Å; C184-S198 CarbonylContact O-C 3.53Å; C184-S198 WeakPolarHBondContact O-CA 3.32Å; C184-F199 PolarHBondContact N-O 2.82Å; C184-F199 PolarHBondContact O-N 3.16Å; C184-V202 HydrophobicContact CB-CB 3.69Å; C184-V202 HydrophobicContact CB-CG1 4.1Å; C184-V202 HydrophobicContact CB-CG2 3.66Å
185	V	96.4	Very high	87	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	143.1	170.1	-62.3	0	0	0	0	109.9	F146 L151 A171 A172 I174 T183 I187 M195	F146-V185 HydrophobicContact CD1-CG2 4.1Å; F146-V185 HydrophobicContact CE1-CG1 4.02Å; F146-V185 HydrophobicContact CE1-CG2 4.22Å; F146-V185 HydrophobicContact CZ-CG1 4.31Å; L151-V185 HydrophobicContact CD1-CG1 4.06Å; L151-V185 HydrophobicContact CD2-CG1 3.97Å; A171-V185 CarbonylContact C-O 3.51Å; A171-V185 VanDerWaalsContact CA-O 3.29Å; A171-V185 WeakPolarHBondContact CA-O 3.42Å; A172-V185 HydrophobicContact CB-CG2 4.14Å; A172-V185 PolarHBondContact N-O 3.1Å; A172-V185 PolarHBondContact O-N 3.37Å; I174-V185 HydrophobicContact CD1-CB 4.47Å; I174-V185 HydrophobicContact CD1-CG1 4.01Å; I174-V185 HydrophobicContact CD1-CG2 3.64Å; T183-V185 HydrophobicContact CG2-CG1 4.22Å; V185-I187 HydrophobicContact CB-CD1 4.13Å; V185-I187 HydrophobicContact CG2-CD1 3.94Å; V185-I187 HydrophobicContact CG2-CG1 4.22Å; V185-M195 HydrophobicContact CB-CG 4.48Å; V185-M195 HydrophobicContact CB-SD 4.15Å; V185-M195 HydrophobicContact CG1-SD 3.79Å
186	I	97.1	Very high	87.4	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	107.9	173.7	-46.4	-59.2	0	0	0	107.4	Y169 V170 A171 M195 E196 A197 F199 W207 L217 F235	Y169-I186 HydrophobicContact CD1-CG2 4.18Å; V170-I186 CarbonylContact O-C 3.55Å; A171-I186 HydrophobicContact CB-CD1 3.44Å; A171-I186 VanDerWaalsContact CB-CD1 3.44Å; I186-M195 CarbonylContact O-C 3.51Å; I186-M195 WeakPolarHBondContact O-CA 3.45Å; I186-E196 PolarHBondContact O-N 2.76Å; I186-A197 HydrophobicContact CB-CB 4.07Å; I186-A197 HydrophobicContact CG1-CB 3.92Å; I186-A197 PolarHBondContact N-O 3.08Å; I186-A197 PolarHBondContact O-N 2.79Å; I186-F199 HydrophobicContact CD1-CD2 4.3Å; I186-F199 HydrophobicContact CD1-CE2 4.17Å; I186-F199 HydrophobicContact CG1-CD2 4.16Å; I186-F199 HydrophobicContact CG1-CE2 3.79Å; I186-W207 HydrophobicContact CG2-CH2 4.26Å; I186-W207 HydrophobicContact CG2-CZ2 4.29Å; I186-L217 HydrophobicContact CD1-CD2 3.55Å; I186-L217 HydrophobicContact CG1-CD2 4.42Å; I186-F235 HydrophobicContact CB-CE1 4.28Å; I186-F235 HydrophobicContact CB-CZ 4.48Å; I186-F235 HydrophobicContact CD1-CZ 4.45Å; I186-F235 HydrophobicContact CG1-CE1 4Å; I186-F235 HydrophobicContact CG1-CZ 3.95Å; I186-F235 HydrophobicContact CG2-CD1 4.29Å; I186-F235 HydrophobicContact CG2-CE1 4.02Å; I186-F235 HydrophobicContact CG2-CE2 4.28Å; I186-F235 HydrophobicContact CG2-CZ 4.02Å
187	I	96.9	Very high	88.1	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	130.2	178.8	-49	-51.8	0	0	0	108.7	L129 L145 F146 Y169 V170 V185 P193 M195	L129-I187 HydrophobicContact CD2-CG1 4.05Å; L145-I187 HydrophobicContact CB-CG2 4.39Å; L145-I187 WeakPolarHBondContact O-CG2 3.28Å; F146-I187 HydrophobicContact CB-CD1 3.66Å; F146-I187 HydrophobicContact CB-CG1 3.93Å; F146-I187 HydrophobicContact CD1-CD1 4.24Å; F146-I187 HydrophobicContact CD2-CD1 3.78Å; F146-I187 HydrophobicContact CG-CD1 3.63Å; F146-I187 HydrophobicContact CG-CG1 4.39Å; Y169-I187 CarbonylContact C-O 3.56Å; Y169-I187 VanDerWaalsContact CA-O 3.3Å; Y169-I187 WeakPolarHBondContact CA-O 3.39Å; V170-I187 PolarHBondContact N-O 2.97Å; V170-I187 PolarHBondContact O-N 3.35Å; V185-I187 HydrophobicContact CB-CD1 4.13Å; V185-I187 HydrophobicContact CG2-CD1 3.94Å; V185-I187 HydrophobicContact CG2-CG1 4.22Å; I187-P193 HydrophobicContact CG2-CB 4.07Å; I187-M195 HydrophobicContact CD1-CB 3.85Å; I187-M195 HydrophobicContact CD1-CG 4.18Å
188	K	95.9	Very high	89.3	Confident	80 Å²	80	49.6 Å²	49.6	35%	0.348	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	125.3	171.8	-174.1	176.1	-173.8	174.4	0	109.4	K168 Y169 P193 V194 E196	K168-K188 WeakPolarHBondContact O-CA 3.28Å; Y169-K188 HydrophobicContact CD1-CB 3.95Å; Y169-K188 HydrophobicContact CD1-CG 4.14Å; Y169-K188 HydrophobicContact CE1-CB 3.73Å; Y169-K188 HydrophobicContact CE1-CD 4Å; Y169-K188 HydrophobicContact CE1-CG 3.64Å; K188-P193 WeakPolarHBondContact O-CA 3.37Å; K188-V194 PolarHBondContact N-O 2.79Å; K188-V194 PolarHBondContact O-N 3.28Å; K188-V194 VanDerWaalsContact O-N 3.15Å; K188-E196 HydrophobicContact CB-CB 4.21Å
189	L	93.9	Very high	90.5	Very high	18 Å²	18	46.5 Å²	46.5	9%	0.094	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-83.1	125.2	179	-61.6	174.7	0	0	0	110.1	Y122 L145 E167 K168 V170	Y122-L189 HydrophobicContact CE1-CD1 4.23Å; L145-L189 HydrophobicContact CD1-CD2 3.92Å; L145-L189 HydrophobicContact CD2-CD2 3.56Å; L145-L189 HydrophobicContact CG-CD2 4.31Å; E167-L189 WeakPolarHBondContact O-CD1 3.34Å; K168-L189 PolarHBondContact O-N 3.4Å; V170-L189 HydrophobicContact CG2-CD1 3.66Å; V170-L189 HydrophobicContact CG2-CD2 3.95Å; V170-L189 HydrophobicContact CG2-CG 3.97Å
190	S	90.2	Very high	91.5	Very high	62 Å²	62	48.4 Å²	48.4	43%	0.434	27%	0.272	S	S	.	.	S	Bend	trans	-165	-179.4	171	83.9	0	0	0	0	109.1	Q192 P193	S190-Q192 CarbonylContact O-C 3.5Å; S190-Q192 PolarHBondContact O-N 3.3Å; S190-Q192 PolarHBondContact OG-N 3.15Å; S190-Q192 PolarHBondContact OG-O 3.26Å; S190-P193 WeakPolarHBondContact O-CD 3.33Å
191	D	86.1	Confident	92.3	Very high	173 Å²	173	49.5 Å²	49.5	93%	0.925	28%	0.28	S	S	*	.	S	Bend	trans	-49.8	-22.2	174.3	-55.5	-9.9	0	0	0	114
192	Q	88.3	Confident	92.9	Very high	158 Å²	158	47.5 Å²	47.5	74%	0.738	26%	0.263	S	S	*	.	S	Bend	trans	-130.1	111.4	160.4	-65.5	-170.3	-41.1	0	0	109.1	S190	S190-Q192 CarbonylContact O-C 3.5Å; S190-Q192 PolarHBondContact O-N 3.3Å; S190-Q192 PolarHBondContact OG-N 3.15Å; S190-Q192 PolarHBondContact OG-O 3.26Å
193	P	93.3	Very high	93	Very high	23 Å²	23	49 Å²	49	15%	0.149	27%	0.273	C	S	.	.			trans	-63.1	141.7	174.2	-26.7	37.3	0	0	0	112.7	L145 I187 K188 S190	L145-P193 HydrophobicContact CD2-CB 4.22Å; L145-P193 HydrophobicContact CD2-CG 3.73Å; L145-P193 WeakPolarHBondContact O-CB 3.47Å; I187-P193 HydrophobicContact CG2-CB 4.07Å; K188-P193 WeakPolarHBondContact O-CA 3.37Å; S190-P193 WeakPolarHBondContact O-CD 3.33Å
194	V	93.5	Very high	93	Very high	89 Å²	89	48.7 Å²	48.7	54%	0.539	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	137.3	-177.9	-179.8	0	0	0	0	111.5	K188 E196	K188-V194 PolarHBondContact N-O 2.79Å; K188-V194 PolarHBondContact O-N 3.28Å; K188-V194 VanDerWaalsContact O-N 3.15Å; V194-E196 PolarHBondContact O-N 3.29Å
195	M	94.6	Very high	93	Very high	74 Å²	74	48.7 Å²	48.7	37%	0.365	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	108.5	169.7	-176.7	176.5	54.7	0	0	111.3	F146 V185 I186 I187 A197	F146-M195 HydrophobicContact CD2-CB 4.48Å; F146-M195 HydrophobicContact CE2-CB 4.26Å; F146-M195 HydrophobicContact CE2-CE 4.41Å; F146-M195 HydrophobicContact CE2-SD 4.17Å; F146-M195 HydrophobicContact CZ-SD 4.13Å; V185-M195 HydrophobicContact CB-CG 4.48Å; V185-M195 HydrophobicContact CB-SD 4.15Å; V185-M195 HydrophobicContact CG1-SD 3.79Å; I186-M195 CarbonylContact O-C 3.51Å; I186-M195 WeakPolarHBondContact O-CA 3.45Å; I187-M195 HydrophobicContact CD1-CB 3.85Å; I187-M195 HydrophobicContact CD1-CG 4.18Å; M195-A197 WeakPolarHBondContact CG-O 3.38Å
196	E	95	Very high	93	Very high	45 Å²	45	49.2 Å²	49.2	21%	0.21	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-27.2	-179	165.9	78.6	-130.5	0	0	112.5	Y169 I186 K188 V194 F235 K239	Y169-E196 HydrophobicContact CE1-CB 4.34Å; Y169-E196 HydrophobicContact CE1-CG 3.97Å; I186-E196 PolarHBondContact O-N 2.76Å; K188-E196 HydrophobicContact CB-CB 4.21Å; V194-E196 PolarHBondContact O-N 3.29Å; E196-F235 HydrophobicContact CG-CB 3.93Å; E196-F235 HydrophobicContact CG-CD1 3.76Å; E196-F235 HydrophobicContact CG-CG 4.19Å; E196-K239 PolarHBondContact O-NZ 2.82Å; E196-K239 IonicContact OE1-NZ 2.76Å; E196-K239 PolarHBondContact OE1-NZ 3.06Å
197	A	94.8	Very high	92.9	Very high	17 Å²	17	49.4 Å²	49.4	14%	0.14	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	164.6	174.3	0	0	0	0	0	112.1	I186 M195 F199 F235	I186-A197 HydrophobicContact CB-CB 4.07Å; I186-A197 HydrophobicContact CG1-CB 3.92Å; I186-A197 PolarHBondContact N-O 3.08Å; I186-A197 PolarHBondContact O-N 2.79Å; M195-A197 WeakPolarHBondContact CG-O 3.38Å; A197-F199 HydrophobicContact CB-CE1 4.5Å; A197-F199 HydrophobicContact CB-CE2 4.25Å; A197-F199 HydrophobicContact CB-CZ 4Å; A197-F235 HydrophobicContact CB-CD1 4.36Å; A197-F235 HydrophobicContact CB-CE1 3.83Å
198	S	94.3	Very high	92.7	Very high	53 Å²	53	49.7 Å²	49.7	37%	0.371	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	137.8	169.2	175.7	0	0	0	0	109.5	T183 C184	T183-S198 WeakPolarHBondContact CG2-OG 3.27Å; C184-S198 CarbonylContact O-C 3.53Å; C184-S198 WeakPolarHBondContact O-CA 3.32Å
199	F	93.4	Very high	92.3	Very high	25 Å²	25	47.9 Å²	47.9	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	116.8	-177	-57.7	-57	0	0	0	110.1	C184 I186 A197 V202 L217 Y219 F221 F235 N241	C184-F199 PolarHBondContact N-O 2.82Å; C184-F199 PolarHBondContact O-N 3.16Å; I186-F199 HydrophobicContact CD1-CD2 4.3Å; I186-F199 HydrophobicContact CD1-CE2 4.17Å; I186-F199 HydrophobicContact CG1-CD2 4.16Å; I186-F199 HydrophobicContact CG1-CE2 3.79Å; A197-F199 HydrophobicContact CB-CE1 4.5Å; A197-F199 HydrophobicContact CB-CE2 4.25Å; A197-F199 HydrophobicContact CB-CZ 4Å; F199-V202 HydrophobicContact CB-CG2 3.54Å; F199-L217 HydrophobicContact CE2-CD2 4.12Å; F199-Y219 HydrophobicContact CB-CE2 4.2Å; F199-Y219 HydrophobicContact CD1-CE2 4.32Å; F199-Y219 HydrophobicContact CD2-CE2 4.16Å; F199-Y219 WeakPolarHBondContact CE1-OH 3.36Å; F199-Y219 HydrophobicContact CE2-CE1 4.29Å; F199-Y219 AromaticContact CG-CE2 3.98Å; F199-Y219 HydrophobicContact CG-CE2 3.98Å; F199-Y219 HydrophobicContact CZ-CE1 4.44Å; F199-F221 HydrophobicContact CB-CE1 4.36Å; F199-F235 HydrophobicContact CE2-CE1 4.28Å; F199-F235 HydrophobicContact CE2-CZ 4.15Å; F199-F235 HydrophobicContact CZ-CE1 4.2Å; F199-F235 HydrophobicContact CZ-CZ 4.37Å; F199-N241 WeakPolarHBondContact CE1-ND2 3.29Å
200	P	91.7	Very high	91.7	Very high	80 Å²	80	47.7 Å²	47.7	52%	0.519	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	145.5	179.7	31.4	-34.8	0	0	0	111.6	V202 F221	P200-V202 PolarHBondContact O-N 2.87Å; P200-F221 WeakPolarHBondContact O-CD1 3.35Å; P200-F221 WeakPolarHBondContact O-CE1 3.34Å
201	N	90.1	Very high	91.2	Very high	62 Å²	62	52.1 Å²	52.1	33%	0.332	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	42.8	177.7	-55.9	-12.4	0	0	0	114.6	S182 F221 Q222	S182-N201 PolarHBondContact O-N 3.33Å; S182-N201 WeakPolarHBondContact OG-CA 3Å; N201-F221 CarbonylContact O-C 3.49Å; N201-F221 WeakPolarHBondContact O-CA 3.45Å; N201-Q222 VanDerWaalsContact CB-O 3.26Å; N201-Q222 WeakPolarHBondContact CB-O 3.41Å; N201-Q222 PolarHBondContact O-N 2.96Å
202	V	91.8	Very high	90.9	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	130.5	169.9	176.3	0	0	0	0	109.9	K173 S182 C184 F199 P200 F205 Y219 T220 F221	K173-V202 WeakPolarHBondContact CD-O 3.27Å; S182-V202 PolarHBondContact OG-N 3.43Å; S182-V202 PolarHBondContact OG-O 2.84Å; C184-V202 HydrophobicContact CB-CB 3.69Å; C184-V202 HydrophobicContact CB-CG1 4.1Å; C184-V202 HydrophobicContact CB-CG2 3.66Å; F199-V202 HydrophobicContact CB-CG2 3.54Å; P200-V202 PolarHBondContact O-N 2.87Å; V202-F205 HydrophobicContact CG1-CB 4.01Å; V202-F205 HydrophobicContact CG1-CD1 3.72Å; V202-F205 HydrophobicContact CG1-CG 4.13Å; V202-Y219 HydrophobicContact CG1-CD2 4.31Å; V202-Y219 HydrophobicContact CG2-CD2 3.75Å; V202-Y219 HydrophobicContact CG2-CE2 4.19Å; V202-T220 WeakPolarHBondContact CA-O 2.93Å; V202-F221 HydrophobicContact CG2-CD1 4.44Å; V202-F221 HydrophobicContact CG2-CE1 4.38Å
203	S	89.3	Confident	90.6	Very high	42 Å²	42	47.9 Å²	47.9	29%	0.294	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-60.6	-178.3	-178.2	0	0	0	0	111.5	T220 C227	S203-T220 PolarHBondContact N-O 2.84Å; S203-C227 WeakPolarHBondContact CB-SG 3.47Å; S203-C227 PolarHBondContact OG-SG 2.91Å
204	S	91.3	Very high	90.3	Very high	19 Å²	19	48.5 Å²	48.5	13%	0.133	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	146.6	175.1	65.9	0	0	0	0	110.2	Y219 T220 F255 L256	S204-Y219 CarbonylContact O-C 3.51Å; S204-Y219 VanDerWaalsContact O-CA 3.31Å; S204-Y219 WeakPolarHBondContact O-CA 3.5Å; S204-T220 PolarHBondContact N-OG1 2.65Å; S204-T220 PolarHBondContact O-N 3.26Å; S204-T220 PolarHBondContact O-OG1 3.06Å; S204-T220 PolarHBondContact OG-OG1 2.97Å; S204-F255 WeakPolarHBondContact OG-CA 3.38Å; S204-L256 PolarHBondContact OG-N 3.03Å
205	F	95.1	Very high	90.3	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	143.9	179.6	59.9	-71.6	0	0	0	110.7	C160 R162 A171 K173 V202 L217 F218	C160-F205 HydrophobicContact CB-CE1 4.05Å; C160-F205 HydrophobicContact CB-CZ 4.1Å; C160-F205 WeakPolarHBondContact SG-CE1 3.45Å; C160-F205 WeakPolarHBondContact SG-CZ 3.45Å; R162-F205 HydrophobicContact CB-CD2 3.92Å; R162-F205 HydrophobicContact CB-CE2 3.67Å; R162-F205 HydrophobicContact CG-CD2 3.7Å; R162-F205 HydrophobicContact CG-CE2 3.61Å; R162-F205 HydrophobicContact CG-CZ 4.34Å; R162-F205 WeakPolarHBondContact CG-O 3.49Å; R162-F205 PolarHBondContact NE-O 3.2Å; A171-F205 HydrophobicContact CB-CD2 3.71Å; A171-F205 HydrophobicContact CB-CE2 3.48Å; A171-F205 VanDerWaalsContact CB-CE2 3.48Å; K173-F205 HydrophobicContact CB-CD1 4.43Å; K173-F205 HydrophobicContact CB-CE1 3.35Å; K173-F205 HydrophobicContact CB-CZ 3.59Å; K173-F205 HydrophobicContact CD-CE1 4.03Å; K173-F205 HydrophobicContact CG-CE1 4.16Å; V202-F205 HydrophobicContact CG1-CB 4.01Å; V202-F205 HydrophobicContact CG1-CD1 3.72Å; V202-F205 HydrophobicContact CG1-CG 4.13Å; F205-L217 HydrophobicContact CB-CD1 4.24Å; F205-L217 HydrophobicContact CD2-CD1 4.13Å; F205-F218 CarbonylContact C-O 3.55Å; F205-F218 WeakPolarHBondContact CA-O 3.48Å
206	E	95.8	Very high	90.3	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.051	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	143.3	-172.9	-67	-58.8	158.6	0	0	109.8	R162 F218 L256 L258 L265	R162-E206 WeakPolarHBondContact CD-OE2 3.32Å; R162-E206 IonicContact CZ-OE1 2.69Å; R162-E206 IonicContact CZ-OE2 2.7Å; R162-E206 IonicContact NE-OE1 2.78Å; R162-E206 PolarHBondContact NE-OE1 3.36Å; R162-E206 IonicContact NE-OE2 2.64Å; R162-E206 PolarHBondContact NE-OE2 3.46Å; R162-E206 IonicContact NH2-OE1 3.96Å; R162-E206 PolarHBondContact NH2-OE1 3.42Å; R162-E206 IonicContact NH2-OE2 3.3Å; E206-F218 PolarHBondContact N-O 3.31Å; E206-F218 PolarHBondContact O-N 3.24Å; E206-L256 HydrophobicContact CG-CB 3.98Å; E206-L258 HydrophobicContact CB-CB 4.37Å; E206-L258 HydrophobicContact CG-CB 4.08Å; E206-L258 WeakPolarHBondContact OE2-CB 3.36Å; E206-L265 HydrophobicContact CB-CD1 3.58Å; E206-L265 HydrophobicContact CG-CD1 3.8Å
207	W	95	Very high	90.4	Very high	4 Å²	4	39 Å²	39	2%	0.015	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142	170.7	-65.8	106	0	0	0	111	R162 A164 P165 Y169 A171 I186 D215 L217 F235	R162-W207 PolarHBondContact O-NE1 3.03Å; A164-W207 HydrophobicContact CB-CD2 3.57Å; A164-W207 HydrophobicContact CB-CE3 3.88Å; A164-W207 HydrophobicContact CB-CG 3.92Å; A164-W207 HydrophobicContact CB-CH2 4.25Å; A164-W207 HydrophobicContact CB-CZ2 3.98Å; A164-W207 HydrophobicContact CB-CZ3 4.2Å; P165-W207 HydrophobicContact CG-CB 4.32Å; Y169-W207 HydrophobicContact CD2-CH2 4.36Å; Y169-W207 HydrophobicContact CG-CH2 4.08Å; A171-W207 HydrophobicContact CB-CZ2 4.12Å; I186-W207 HydrophobicContact CG2-CH2 4.26Å; I186-W207 HydrophobicContact CG2-CZ2 4.29Å; W207-D215 HydrophobicContact CE3-CB 4.06Å; W207-D215 HydrophobicContact CZ3-CB 4.19Å; W207-L217 HydrophobicContact CD2-CB 4.21Å; W207-L217 HydrophobicContact CD2-CD1 3.88Å; W207-L217 HydrophobicContact CE3-CB 3.77Å; W207-L217 HydrophobicContact CE3-CD1 4.33Å; W207-L217 HydrophobicContact CG-CD1 4.27Å; W207-L217 HydrophobicContact CH2-CB 4.06Å; W207-L217 HydrophobicContact CZ2-CB 4.46Å; W207-L217 HydrophobicContact CZ2-CD1 4.18Å; W207-L217 HydrophobicContact CZ3-CB 3.71Å; W207-F235 AromaticContact CH2-CD2 3.7Å; W207-F235 HydrophobicContact CH2-CD2 3.7Å; W207-F235 AromaticContact CH2-CE2 3.44Å; W207-F235 HydrophobicContact CH2-CE2 3.44Å; W207-F235 VanDerWaalsContact CH2-CE2 3.44Å; W207-F235 HydrophobicContact CH2-CZ 4.42Å; W207-F235 AromaticContact CZ3-CD2 3.9Å; W207-F235 HydrophobicContact CZ3-CD2 3.9Å; W207-F235 AromaticContact CZ3-CE2 3.68Å; W207-F235 HydrophobicContact CZ3-CE2 3.68Å
208	V	93.3	Very high	90.5	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.03	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	166.5	165.9	-69.6	0	0	0	0	108.8	V216 F218 L258 L265 P285	V208-V216 HydrophobicContact CG2-CB 4.14Å; V208-V216 PolarHBondContact N-O 2.86Å; V208-V216 PolarHBondContact O-N 2.95Å; V208-F218 HydrophobicContact CG2-CD2 3.71Å; V208-F218 HydrophobicContact CG2-CE2 3.55Å; V208-L258 HydrophobicContact CG1-CD1 3.84Å; V208-L265 HydrophobicContact CG1-CB 3.71Å; V208-L265 HydrophobicContact CG1-CD2 4.19Å; V208-L265 HydrophobicContact CG1-CG 4.49Å; V208-P285 HydrophobicContact CG2-CB 3.56Å; V208-P285 HydrophobicContact CG2-CG 4.02Å
209	K	87.1	Confident	90.6	Very high	43 Å²	43	35.8 Å²	35.8	19%	0.187	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	119.1	-174.5	-175	176.2	-145.1	-155.7	0	111.5	P165 D166 D213 D215 G282 L283	P165-K209 HydrophobicContact CB-CB 4.05Å; P165-K209 HydrophobicContact CB-CD 4.25Å; P165-K209 HydrophobicContact CG-CB 4.14Å; D166-K209 IonicContact OD2-NZ 3.18Å; K209-D213 VanDerWaalsContact CE-C 3.45Å; K209-D213 VanDerWaalsContact CE-O 3.24Å; K209-D213 WeakPolarHBondContact CE-O 3.24Å; K209-D213 IonicContact NZ-OD1 2.69Å; K209-D213 PolarHBondContact NZ-OD1 3.38Å; K209-D215 WeakPolarHBondContact CB-OD1 3.3Å; K209-D215 VanDerWaalsContact CD-OD1 3.26Å; K209-D215 WeakPolarHBondContact CD-OD1 3.45Å; K209-D215 WeakPolarHBondContact CE-OD1 3.34Å; K209-D215 WeakPolarHBondContact CG-OD1 3.37Å; K209-G282 CarbonylContact C-O 3.57Å; K209-G282 PolarHBondContact N-O 3.06Å; K209-L283 WeakPolarHBondContact O-CA 3.33Å
210	D	81.6	Confident	90.7	Very high	14 Å²	14	34.6 Å²	34.6	8%	0.075	18%	0.18	C	C	.	.			trans	-76.6	168.4	-176.7	70.8	29.8	0	0	0	114.8	E212 D213 E214 L283 P285 W286	D210-E212 PolarHBondContact O-N 3.29Å; D210-E212 VanDerWaalsContact O-N 3.12Å; D210-E212 WeakPolarHBondContact OD1-CA 3.28Å; D210-E212 PolarHBondContact OD1-N 3.02Å; D210-D213 PolarHBondContact O-N 3.26Å; D210-E214 PolarHBondContact N-O 3.05Å; D210-E214 PolarHBondContact OD1-N 2.99Å; D210-L283 CarbonylContact C-O 3.46Å; D210-L283 VanDerWaalsContact CA-O 3.25Å; D210-L283 WeakPolarHBondContact CA-O 3.32Å; D210-P285 HydrophobicContact CB-CG 3.7Å; D210-W286 PolarHBondContact OD2-NE1 2.89Å
211	E	79.8	Confident	90.6	Very high	155 Å²	155	32 Å²	32	72%	0.724	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-18.3	179.5	-52.8	-163.5	172.8	0	0	114.2	D213 L283	E211-D213 VanDerWaalsContact C-N 3.28Å; E211-L283 VanDerWaalsContact CG-O 3.27Å; E211-L283 WeakPolarHBondContact CG-O 3.42Å; E211-L283 PolarHBondContact N-O 3.2Å
212	E	79.8	Confident	90.4	Very high	173 Å²	173	30.9 Å²	30.9	81%	0.808	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.4	6.1	177.4	-61	-159.6	-169.1	0	0	113	D210 E214	D210-E212 PolarHBondContact O-N 3.29Å; D210-E212 VanDerWaalsContact O-N 3.12Å; D210-E212 WeakPolarHBondContact OD1-CA 3.28Å; D210-E212 PolarHBondContact OD1-N 3.02Å; E212-E214 VanDerWaalsContact C-N 3.35Å
213	D	81.7	Confident	90.1	Very high	68 Å²	68	37.1 Å²	37.1	36%	0.364	18%	0.176	S	C	.	.	S	Bend	trans	65.6	26.6	-171.6	-80.2	-63.2	0	0	0	113.9	K45 K209 D210 E211	K45-D213 IonicContact NZ-OD2 2.9Å; K45-D213 PolarHBondContact NZ-OD2 2.85Å; K209-D213 VanDerWaalsContact CE-C 3.45Å; K209-D213 VanDerWaalsContact CE-O 3.24Å; K209-D213 WeakPolarHBondContact CE-O 3.24Å; K209-D213 IonicContact NZ-OD1 2.69Å; K209-D213 PolarHBondContact NZ-OD1 3.38Å; D210-D213 PolarHBondContact O-N 3.26Å; E211-D213 VanDerWaalsContact C-N 3.28Å
214	E	87.9	Confident	89.6	Confident	37 Å²	37	40.9 Å²	40.9	17%	0.173	19%	0.193	C	C	.	.			trans	-95.9	128.9	171.7	-172.2	166.3	163.1	0	0	112	D210 E212 T234 N238	D210-E214 PolarHBondContact N-O 3.05Å; D210-E214 PolarHBondContact OD1-N 2.99Å; E212-E214 VanDerWaalsContact C-N 3.35Å; E214-T234 HydrophobicContact CG-CG2 4.24Å; E214-T234 WeakPolarHBondContact OE1-CB 3.28Å; E214-T234 VanDerWaalsContact OE1-CG2 3.27Å; E214-T234 WeakPolarHBondContact OE1-CG2 3.32Å; E214-T234 PolarHBondContact OE1-OG1 3.32Å; E214-N238 WeakPolarHBondContact OE1-CB 3.45Å; E214-N238 WeakPolarHBondContact OE2-CB 3.48Å; E214-N238 PolarHBondContact OE2-ND2 3.14Å
215	D	92.3	Very high	89.2	Confident	7 Å²	7	40.3 Å²	40.3	4%	0.037	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	122.8	177.6	-78	-2.7	0	0	0	110.5	A164 P165 D166 W207 K209	A164-D215 HydrophobicContact CB-CB 4.15Å; A164-D215 WeakPolarHBondContact CB-OD2 3.1Å; P165-D215 WeakPolarHBondContact CD-OD2 3.26Å; P165-D215 VanDerWaalsContact N-OD2 3.15Å; D166-D215 PolarHBondContact N-OD2 2.86Å; W207-D215 HydrophobicContact CE3-CB 4.06Å; W207-D215 HydrophobicContact CZ3-CB 4.19Å; K209-D215 WeakPolarHBondContact CB-OD1 3.3Å; K209-D215 VanDerWaalsContact CD-OD1 3.26Å; K209-D215 WeakPolarHBondContact CD-OD1 3.45Å; K209-D215 WeakPolarHBondContact CE-OD1 3.34Å; K209-D215 WeakPolarHBondContact CG-OD1 3.37Å
216	V	95.2	Very high	88.7	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.4	-176.8	-170.2	0	0	0	0	110	V208 F218 R232 T234 P285 W286	V208-V216 HydrophobicContact CG2-CB 4.14Å; V208-V216 PolarHBondContact N-O 2.86Å; V208-V216 PolarHBondContact O-N 2.95Å; V216-F218 HydrophobicContact CB-CE2 4.29Å; V216-F218 HydrophobicContact CG1-CD2 4.07Å; V216-F218 HydrophobicContact CG1-CE2 3.67Å; V216-R232 HydrophobicContact CG1-CB 4.19Å; V216-T234 HydrophobicContact CB-CG2 4.28Å; V216-T234 HydrophobicContact CG1-CG2 4.12Å; V216-T234 HydrophobicContact CG2-CG2 3.89Å; V216-P285 HydrophobicContact CB-CG 4.5Å; V216-P285 HydrophobicContact CG2-CG 4.03Å; V216-W286 HydrophobicContact CG1-CH2 4.42Å; V216-W286 HydrophobicContact CG1-CZ2 4.2Å; V216-W286 HydrophobicContact CG2-CZ2 3.92Å
217	L	96.5	Very high	88.4	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.8	173.6	-178.3	74.5	0	0	0	109.9	A171 I186 F199 F205 W207 Y219 R232 A233 F235	A171-L217 HydrophobicContact CB-CD1 4.25Å; I186-L217 HydrophobicContact CD1-CD2 3.55Å; I186-L217 HydrophobicContact CG1-CD2 4.42Å; F199-L217 HydrophobicContact CE2-CD2 4.12Å; F205-L217 HydrophobicContact CB-CD1 4.24Å; F205-L217 HydrophobicContact CD2-CD1 4.13Å; W207-L217 HydrophobicContact CD2-CB 4.21Å; W207-L217 HydrophobicContact CD2-CD1 3.88Å; W207-L217 HydrophobicContact CE3-CB 3.77Å; W207-L217 HydrophobicContact CE3-CD1 4.33Å; W207-L217 HydrophobicContact CG-CD1 4.27Å; W207-L217 HydrophobicContact CH2-CB 4.06Å; W207-L217 HydrophobicContact CZ2-CB 4.46Å; W207-L217 HydrophobicContact CZ2-CD1 4.18Å; W207-L217 HydrophobicContact CZ3-CB 3.71Å; L217-Y219 HydrophobicContact CD2-CD1 4.15Å; L217-Y219 HydrophobicContact CG-CD1 4.3Å; L217-R232 CarbonylContact O-C 3.51Å; L217-R232 VanDerWaalsContact O-CA 3.32Å; L217-R232 WeakPolarHBondContact O-CA 3.23Å; L217-A233 PolarHBondContact N-O 2.95Å; L217-A233 PolarHBondContact O-N 2.8Å; L217-F235 HydrophobicContact CB-CE2 3.85Å; L217-F235 HydrophobicContact CB-CZ 4.27Å; L217-F235 HydrophobicContact CD2-CE2 4.32Å; L217-F235 HydrophobicContact CD2-CZ 3.99Å
218	F	97.3	Very high	88.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	141	163.8	-76	-108.3	0	0	0	109.5	F205 E206 V208 V216 V230 Y231 R232 F244 L256 L265 I280 P285	F205-F218 CarbonylContact C-O 3.55Å; F205-F218 WeakPolarHBondContact CA-O 3.48Å; E206-F218 PolarHBondContact N-O 3.31Å; E206-F218 PolarHBondContact O-N 3.24Å; V208-F218 HydrophobicContact CG2-CD2 3.71Å; V208-F218 HydrophobicContact CG2-CE2 3.55Å; V216-F218 HydrophobicContact CB-CE2 4.29Å; V216-F218 HydrophobicContact CG1-CD2 4.07Å; V216-F218 HydrophobicContact CG1-CE2 3.67Å; F218-V230 HydrophobicContact CD1-CG1 4.19Å; F218-Y231 CarbonylContact C-O 3.54Å; F218-Y231 WeakPolarHBondContact CA-O 3.22Å; F218-R232 HydrophobicContact CD1-CB 3.8Å; F218-R232 HydrophobicContact CD2-CB 4.14Å; F218-R232 HydrophobicContact CE1-CB 3.63Å; F218-R232 HydrophobicContact CE1-CG 4.27Å; F218-R232 HydrophobicContact CE2-CB 3.97Å; F218-R232 HydrophobicContact CG-CB 4.06Å; F218-R232 HydrophobicContact CZ-CB 3.73Å; F218-R232 HydrophobicContact CZ-CG 4.29Å; F218-F244 HydrophobicContact CE1-CD1 4.09Å; F218-F244 HydrophobicContact CE1-CE1 4.28Å; F218-F244 HydrophobicContact CE1-CG 4.26Å; F218-L256 HydrophobicContact CB-CD1 3.71Å; F218-L256 HydrophobicContact CB-CD2 4.36Å; F218-L256 WeakPolarHBondContact O-CD1 3.18Å; F218-L265 HydrophobicContact CB-CD2 3.51Å; F218-L265 HydrophobicContact CD1-CD2 3.78Å; F218-L265 HydrophobicContact CD2-CD2 3.53Å; F218-L265 HydrophobicContact CE1-CD2 4.36Å; F218-L265 HydrophobicContact CE2-CD2 4.15Å; F218-L265 HydrophobicContact CG-CD2 3.31Å; F218-I280 HydrophobicContact CD1-CD1 3.99Å; F218-I280 HydrophobicContact CE1-CD1 3.55Å; F218-I280 HydrophobicContact CZ-CD1 4.1Å; F218-I280 HydrophobicContact CZ-CG2 4.36Å; F218-P285 HydrophobicContact CE2-CB 3.83Å; F218-P285 HydrophobicContact CZ-CB 4.1Å
219	Y	96.4	Very high	88.3	Confident	3 Å²	3	44 Å²	44	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	155.3	179.9	69.2	-77	0	0	0	113.6	F199 V202 S204 L217 F221 Y231 A233 N241 L256	F199-Y219 HydrophobicContact CB-CE2 4.2Å; F199-Y219 HydrophobicContact CD1-CE2 4.32Å; F199-Y219 HydrophobicContact CD2-CE2 4.16Å; F199-Y219 WeakPolarHBondContact CE1-OH 3.36Å; F199-Y219 HydrophobicContact CE2-CE1 4.29Å; F199-Y219 AromaticContact CG-CE2 3.98Å; F199-Y219 HydrophobicContact CG-CE2 3.98Å; F199-Y219 HydrophobicContact CZ-CE1 4.44Å; V202-Y219 HydrophobicContact CG1-CD2 4.31Å; V202-Y219 HydrophobicContact CG2-CD2 3.75Å; V202-Y219 HydrophobicContact CG2-CE2 4.19Å; S204-Y219 CarbonylContact O-C 3.51Å; S204-Y219 VanDerWaalsContact O-CA 3.31Å; S204-Y219 WeakPolarHBondContact O-CA 3.5Å; L217-Y219 HydrophobicContact CD2-CD1 4.15Å; L217-Y219 HydrophobicContact CG-CD1 4.3Å; Y219-F221 HydrophobicContact CD2-CE2 4.4Å; Y219-F221 HydrophobicContact CD2-CZ 4.45Å; Y219-F221 HydrophobicContact CE2-CD2 4.19Å; Y219-F221 AromaticContact CE2-CE1 3.98Å; Y219-F221 HydrophobicContact CE2-CE1 3.98Å; Y219-F221 AromaticContact CE2-CE2 3.54Å; Y219-F221 HydrophobicContact CE2-CE2 3.54Å; Y219-F221 AromaticContact CE2-CZ 3.46Å; Y219-F221 HydrophobicContact CE2-CZ 3.46Å; Y219-F221 VanDerWaalsContact CE2-CZ 3.46Å; Y219-Y231 VanDerWaalsContact CE1-CB 3.49Å; Y219-Y231 PolarHBondContact N-O 2.9Å; Y219-Y231 PolarHBondContact O-N 3.36Å; Y219-A233 HydrophobicContact CE1-CB 4.07Å; Y219-N241 PolarHBondContact OH-ND2 2.93Å; Y219-N241 PolarHBondContact OH-OD1 2.82Å; Y219-L256 VanDerWaalsContact CA-CD1 3.44Å; Y219-L256 VanDerWaalsContact N-CD1 3.35Å
220	T	95.5	Very high	88.7	Confident	0 Å²	0	42 Å²	42	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	148.3	176.4	63.2	0	0	0	0	112	V202 S203 S204 D229 V230 L256	V202-T220 WeakPolarHBondContact CA-O 2.93Å; S203-T220 PolarHBondContact N-O 2.84Å; S204-T220 PolarHBondContact N-OG1 2.65Å; S204-T220 PolarHBondContact O-N 3.26Å; S204-T220 PolarHBondContact O-OG1 3.06Å; S204-T220 PolarHBondContact OG-OG1 2.97Å; T220-D229 WeakPolarHBondContact CA-O 3.47Å; T220-V230 HydrophobicContact CG2-CG2 3.97Å; T220-L256 HydrophobicContact CG2-CD1 4.13Å; T220-L256 HydrophobicContact CG2-CG 4.05Å
221	F	90.4	Very high	89.4	Confident	25 Å²	25	43.5 Å²	43.5	11%	0.11	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	135.9	176.5	-73.7	-75.1	0	0	0	112.2	F199 P200 N201 V202 Y219 C227 Y231	F199-F221 HydrophobicContact CB-CE1 4.36Å; P200-F221 WeakPolarHBondContact O-CD1 3.35Å; P200-F221 WeakPolarHBondContact O-CE1 3.34Å; N201-F221 CarbonylContact O-C 3.49Å; N201-F221 WeakPolarHBondContact O-CA 3.45Å; V202-F221 HydrophobicContact CG2-CD1 4.44Å; V202-F221 HydrophobicContact CG2-CE1 4.38Å; Y219-F221 HydrophobicContact CD2-CE2 4.4Å; Y219-F221 HydrophobicContact CD2-CZ 4.45Å; Y219-F221 HydrophobicContact CE2-CD2 4.19Å; Y219-F221 AromaticContact CE2-CE1 3.98Å; Y219-F221 HydrophobicContact CE2-CE1 3.98Å; Y219-F221 AromaticContact CE2-CE2 3.54Å; Y219-F221 HydrophobicContact CE2-CE2 3.54Å; Y219-F221 AromaticContact CE2-CZ 3.46Å; Y219-F221 HydrophobicContact CE2-CZ 3.46Å; Y219-F221 VanDerWaalsContact CE2-CZ 3.46Å; F221-C227 WeakPolarHBondContact O-CA 3.38Å; F221-Y231 AromaticContact CD2-CD2 3.52Å; F221-Y231 HydrophobicContact CD2-CD2 3.52Å; F221-Y231 AromaticContact CD2-CE2 3.43Å; F221-Y231 HydrophobicContact CD2-CE2 3.43Å; F221-Y231 VanDerWaalsContact CD2-CE2 3.43Å; F221-Y231 HydrophobicContact CD2-CG 4.35Å; F221-Y231 HydrophobicContact CE2-CD1 4.3Å; F221-Y231 AromaticContact CE2-CD2 3.57Å; F221-Y231 HydrophobicContact CE2-CD2 3.57Å; F221-Y231 HydrophobicContact CE2-CE1 4.26Å; F221-Y231 AromaticContact CE2-CE2 3.53Å; F221-Y231 HydrophobicContact CE2-CE2 3.53Å; F221-Y231 AromaticContact CE2-CG 3.97Å; F221-Y231 HydrophobicContact CE2-CG 3.97Å; F221-Y231 AromaticContact CE2-CZ 3.89Å
222	Q	86.3	Confident	90.2	Very high	39 Å²	39	37.1 Å²	37.1	18%	0.182	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	130.8	166.5	-170.7	160.6	-68.3	0	0	111	N201 R226	N201-Q222 VanDerWaalsContact CB-O 3.26Å; N201-Q222 WeakPolarHBondContact CB-O 3.41Å; N201-Q222 PolarHBondContact O-N 2.96Å; Q222-R226 CarbonylContact C-O 3.5Å; Q222-R226 WeakPolarHBondContact CA-O 3.29Å
223	R	83.8	Confident	90.9	Very high	133 Å²	133	28.9 Å²	28.9	50%	0.502	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	127.9	170.2	-62.6	-176	-174.5	128	6.1	109	L225 R226 D229	R223-L225 VanDerWaalsContact C-N 3.28Å; R223-L225 PolarHBondContact O-N 3.06Å; R223-R226 PolarHBondContact N-O 2.83Å; R223-R226 PolarHBondContact O-N 2.88Å; R223-D229 IonicContact NH1-OD2 3.51Å; R223-D229 PolarHBondContact NH1-OD2 3.1Å
224	N	79.9	Confident	91.5	Very high	121 Å²	121	25.8 Å²	25.8	65%	0.647	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	52.2	-174.7	-52.9	8.7	0	0	0	111	R226	N224-R226 PolarHBondContact O-N 3.02Å
225	L	82.6	Confident	91.8	Very high	6 Å²	6	24.7 Å²	24.7	3%	0.031	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.6	3.1	-172.3	-54	-177.1	0	0	0	118.1	R223 F253 P598 L599 E646 R647	R223-L225 VanDerWaalsContact C-N 3.28Å; R223-L225 PolarHBondContact O-N 3.06Å; L225-F253 VanDerWaalsContact O-CE1 3.23Å; L225-F253 WeakPolarHBondContact O-CE1 3.44Å; L225-P598 HydrophobicContact CB-CB 4.4Å; L225-P598 HydrophobicContact CD1-CB 4.23Å; L225-P598 HydrophobicContact CG-CB 4.4Å; L225-L599 HydrophobicContact CB-CD2 4.06Å; L225-L599 HydrophobicContact CD1-CD1 4.32Å; L225-L599 HydrophobicContact CD1-CD2 4.08Å; L225-L599 HydrophobicContact CD1-CG 4.17Å; L225-E646 HydrophobicContact CD1-CB 3.71Å; L225-E646 HydrophobicContact CD2-CB 4.16Å; L225-E646 WeakPolarHBondContact CD2-OE2 3.45Å; L225-E646 HydrophobicContact CG-CB 3.92Å; L225-E646 WeakPolarHBondContact CG-OE2 3.12Å; L225-R647 HydrophobicContact CD1-CB 4.44Å; L225-R647 HydrophobicContact CD1-CG 3.47Å; L225-R647 VanDerWaalsContact CD1-CG 3.47Å
226	R	84.5	Confident	91.6	Very high	38 Å²	38	25.7 Å²	25.7	14%	0.143	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	146.8	-178.9	-57.1	-172.7	-164.7	163	7.8	113.3	Q222 R223 N224 H228 P250 F253 L597 P598	Q222-R226 CarbonylContact C-O 3.5Å; Q222-R226 WeakPolarHBondContact CA-O 3.29Å; R223-R226 PolarHBondContact N-O 2.83Å; R223-R226 PolarHBondContact O-N 2.88Å; N224-R226 PolarHBondContact O-N 3.02Å; R226-H228 WeakPolarHBondContact CD-NE2 3.28Å; R226-P250 PolarHBondContact NH1-O 2.98Å; R226-F253 HydrophobicContact CB-CE1 4.49Å; R226-F253 HydrophobicContact CB-CZ 4.35Å; R226-F253 HydrophobicContact CG-CE1 4.45Å; R226-F253 HydrophobicContact CG-CE2 4.28Å; R226-F253 HydrophobicContact CG-CZ 3.88Å; R226-L597 PolarHBondContact NH2-O 2.84Å; R226-P598 PolarHBondContact NE-O 3.03Å; R226-P598 PolarHBondContact NH2-O 3.12Å
227	C	90.2	Very high	91.1	Very high	4 Å²	4	32.2 Å²	32.2	3%	0.027	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.1	173	-61.5	0	0	0	0	110	S203 F221 F253 V254	S203-C227 WeakPolarHBondContact CB-SG 3.47Å; S203-C227 PolarHBondContact OG-SG 2.91Å; F221-C227 WeakPolarHBondContact O-CA 3.38Å; C227-F253 CarbonylContact O-C 3.54Å; C227-F253 WeakPolarHBondContact O-CA 3.48Å; C227-V254 VanDerWaalsContact CB-O 3.23Å; C227-V254 WeakPolarHBondContact CB-O 3.16Å; C227-V254 PolarHBondContact O-N 3.44Å
228	H	92.1	Very high	90.6	Very high	42 Å²	42	37.3 Å²	37.3	19%	0.194	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	-26.3	-177.9	-58.5	-54.1	0	0	0	114.2	R226 T246 E247 Y252	R226-H228 WeakPolarHBondContact CD-NE2 3.28Å; H228-T246 WeakPolarHBondContact O-CA 3.47Å; H228-E247 PolarHBondContact O-N 3.17Å; H228-Y252 PolarHBondContact CE1-O 2.76Å; H228-Y252 PolarHBondContact ND1-O 3.49Å
229	D	94.1	Very high	90.3	Very high	17 Å²	17	42.7 Å²	42.7	9%	0.091	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134.8	-179.4	-65.8	-49.9	0	0	0	110.9	T220 R223 Y231 R243 Y245 T246	T220-D229 WeakPolarHBondContact CA-O 3.47Å; R223-D229 IonicContact NH1-OD2 3.51Å; R223-D229 PolarHBondContact NH1-OD2 3.1Å; D229-Y231 HydrophobicContact CB-CD2 4.16Å; D229-Y231 HydrophobicContact CB-CE2 3.64Å; D229-R243 HydrophobicContact CB-CG 4.38Å; D229-R243 WeakPolarHBondContact OD1-CD 3.49Å; D229-R243 IonicContact OD1-CZ 3.2Å; D229-R243 IonicContact OD1-NE 2.81Å; D229-R243 IonicContact OD1-NH1 2.87Å; D229-R243 PolarHBondContact OD1-NH1 3.37Å; D229-R243 IonicContact OD2-NH1 2.77Å; D229-Y245 WeakPolarHBondContact CA-O 3.34Å; D229-T246 WeakPolarHBondContact OD1-CG2 3.45Å; D229-T246 PolarHBondContact OD1-OG1 2.78Å
230	V	95.9	Very high	90.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.9	166	-174.3	0	0	0	0	108.8	F218 T220 R243 F244 Y245 V254 L256 I267	F218-V230 HydrophobicContact CD1-CG1 4.19Å; T220-V230 HydrophobicContact CG2-CG2 3.97Å; V230-R243 CarbonylContact O-C 3.57Å; V230-R243 WeakPolarHBondContact O-CG 3.48Å; V230-F244 HydrophobicContact CG1-CD1 4.49Å; V230-F244 PolarHBondContact O-N 3.29Å; V230-Y245 HydrophobicContact CG2-CD1 4.09Å; V230-Y245 PolarHBondContact N-O 2.67Å; V230-Y245 PolarHBondContact O-N 3.49Å; V230-Y245 VanDerWaalsContact O-N 3.17Å; V230-V254 HydrophobicContact CG2-CG1 3.53Å; V230-L256 HydrophobicContact CG1-CD1 4.42Å; V230-L256 HydrophobicContact CG1-CD2 4.08Å; V230-I267 HydrophobicContact CG1-CD1 4.3Å; V230-I267 HydrophobicContact CG2-CD1 4.16Å; V230-I267 HydrophobicContact CG2-CG1 4.39Å; V230-I267 HydrophobicContact CG2-CG2 4.19Å
231	Y	95.9	Very high	90	Very high	46 Å²	46	51.3 Å²	51.3	18%	0.18	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	153.1	173.6	-74.8	-107.6	0	0	0	110.3	F218 Y219 F221 D229 N241 E242 R243	F218-Y231 CarbonylContact C-O 3.54Å; F218-Y231 WeakPolarHBondContact CA-O 3.22Å; Y219-Y231 VanDerWaalsContact CE1-CB 3.49Å; Y219-Y231 PolarHBondContact N-O 2.9Å; Y219-Y231 PolarHBondContact O-N 3.36Å; F221-Y231 AromaticContact CD2-CD2 3.52Å; F221-Y231 HydrophobicContact CD2-CD2 3.52Å; F221-Y231 AromaticContact CD2-CE2 3.43Å; F221-Y231 HydrophobicContact CD2-CE2 3.43Å; F221-Y231 VanDerWaalsContact CD2-CE2 3.43Å; F221-Y231 HydrophobicContact CD2-CG 4.35Å; F221-Y231 HydrophobicContact CE2-CD1 4.3Å; F221-Y231 AromaticContact CE2-CD2 3.57Å; F221-Y231 HydrophobicContact CE2-CD2 3.57Å; F221-Y231 HydrophobicContact CE2-CE1 4.26Å; F221-Y231 AromaticContact CE2-CE2 3.53Å; F221-Y231 HydrophobicContact CE2-CE2 3.53Å; F221-Y231 AromaticContact CE2-CG 3.97Å; F221-Y231 HydrophobicContact CE2-CG 3.97Å; F221-Y231 AromaticContact CE2-CZ 3.89Å; D229-Y231 HydrophobicContact CB-CD2 4.16Å; D229-Y231 HydrophobicContact CB-CE2 3.64Å; Y231-N241 WeakPolarHBondContact CD1-OD1 3.35Å; Y231-E242 CarbonylContact C-O 3.54Å; Y231-E242 VanDerWaalsContact CA-O 3.29Å; Y231-E242 WeakPolarHBondContact CA-O 3.39Å; Y231-R243 HydrophobicContact CD1-CB 4.01Å; Y231-R243 HydrophobicContact CD2-CB 4.48Å; Y231-R243 HydrophobicContact CD2-CG 4.29Å; Y231-R243 HydrophobicContact CE1-CB 3.71Å; Y231-R243 HydrophobicContact CE1-CG 4.39Å; Y231-R243 HydrophobicContact CE2-CB 4.2Å; Y231-R243 HydrophobicContact CE2-CG 3.97Å; Y231-R243 HydrophobicContact CG-CB 4.4Å
232	R	95.2	Very high	90.2	Very high	20 Å²	20	52.7 Å²	52.7	8%	0.075	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	136.4	167	67.6	-176	175.2	-176.1	-0.4	110.5	V216 L217 F218 E242 F244 P285 W286	V216-R232 HydrophobicContact CG1-CB 4.19Å; L217-R232 CarbonylContact O-C 3.51Å; L217-R232 VanDerWaalsContact O-CA 3.32Å; L217-R232 WeakPolarHBondContact O-CA 3.23Å; F218-R232 HydrophobicContact CD1-CB 3.8Å; F218-R232 HydrophobicContact CD2-CB 4.14Å; F218-R232 HydrophobicContact CE1-CB 3.63Å; F218-R232 HydrophobicContact CE1-CG 4.27Å; F218-R232 HydrophobicContact CE2-CB 3.97Å; F218-R232 HydrophobicContact CG-CB 4.06Å; F218-R232 HydrophobicContact CZ-CB 3.73Å; F218-R232 HydrophobicContact CZ-CG 4.29Å; R232-E242 HydrophobicContact CG-CG 3.89Å; R232-E242 IonicContact CZ-OE1 3.54Å; R232-E242 VanDerWaalsContact CZ-OE1 3.25Å; R232-E242 PolarHBondContact N-O 2.88Å; R232-E242 IonicContact NE-OE1 3.47Å; R232-E242 PolarHBondContact NE-OE1 3.36Å; R232-E242 IonicContact NH2-OE1 2.78Å; R232-E242 PolarHBondContact NH2-OE1 3.32Å; R232-E242 PolarHBondContact O-N 3.03Å; R232-F244 HydrophobicContact CG-CB 4.29Å; R232-F244 VanDerWaalsContact CZ-CD2 3.43Å; R232-P285 PolarHBondContact NH1-O 3.46Å; R232-W286 HydrophobicContact CG-CH2 4.49Å; R232-W286 HydrophobicContact CG-CZ3 4.15Å; R232-W286 VanDerWaalsContact CZ-CE3 3.43Å; R232-W286 VanDerWaalsContact NE-CZ3 3.35Å; R232-W286 VanDerWaalsContact NH1-CA 3.31Å; R232-W286 PolarHBondContact NH1-O 3.37Å
233	A	95.2	Very high	90.6	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.2	-173.1	0	0	0	0	0	112.9	L217 Y219 F235 R240 N241	L217-A233 PolarHBondContact N-O 2.95Å; L217-A233 PolarHBondContact O-N 2.8Å; Y219-A233 HydrophobicContact CE1-CB 4.07Å; A233-F235 HydrophobicContact CB-CZ 4.16Å; A233-R240 CarbonylContact C-O 3.42Å; A233-R240 WeakPolarHBondContact CA-O 3.4Å; A233-R240 WeakPolarHBondContact CB-O 3.43Å; A233-N241 HydrophobicContact CB-CB 4.03Å
234	T	94.8	Very high	91.1	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.012	25%	0.254	C	S	.	.			trans	-132.4	171	171.9	71.6	0	0	0	0	110.5	E214 V216 N238 K239 R240 W286	E214-T234 HydrophobicContact CG-CG2 4.24Å; E214-T234 WeakPolarHBondContact OE1-CB 3.28Å; E214-T234 VanDerWaalsContact OE1-CG2 3.27Å; E214-T234 WeakPolarHBondContact OE1-CG2 3.32Å; E214-T234 PolarHBondContact OE1-OG1 3.32Å; V216-T234 HydrophobicContact CB-CG2 4.28Å; V216-T234 HydrophobicContact CG1-CG2 4.12Å; V216-T234 HydrophobicContact CG2-CG2 3.89Å; T234-N238 PolarHBondContact OG1-O 2.94Å; T234-K239 WeakPolarHBondContact O-CA 3.31Å; T234-R240 PolarHBondContact N-O 3Å; T234-R240 PolarHBondContact OG1-N 3.39Å; T234-W286 HydrophobicContact CG2-CH2 4.18Å; T234-W286 HydrophobicContact CG2-CZ2 3.75Å
235	F	92.9	Very high	91.8	Very high	15 Å²	15	50.1 Å²	50.1	7%	0.066	23%	0.234	C	C	.	.			trans	-139	164.6	-161.8	-56.4	-81	0	0	0	112.4	Y169 I186 E196 A197 F199 W207 L217 A233	Y169-F235 HydrophobicContact CE1-CB 3.76Å; Y169-F235 HydrophobicContact CE1-CG 4.39Å; Y169-F235 HydrophobicContact CE2-CB 4.04Å; Y169-F235 VanDerWaalsContact CZ-CB 3.49Å; Y169-F235 WeakPolarHBondContact OH-CB 3.49Å; I186-F235 HydrophobicContact CB-CE1 4.28Å; I186-F235 HydrophobicContact CB-CZ 4.48Å; I186-F235 HydrophobicContact CD1-CZ 4.45Å; I186-F235 HydrophobicContact CG1-CE1 4Å; I186-F235 HydrophobicContact CG1-CZ 3.95Å; I186-F235 HydrophobicContact CG2-CD1 4.29Å; I186-F235 HydrophobicContact CG2-CE1 4.02Å; I186-F235 HydrophobicContact CG2-CE2 4.28Å; I186-F235 HydrophobicContact CG2-CZ 4.02Å; E196-F235 HydrophobicContact CG-CB 3.93Å; E196-F235 HydrophobicContact CG-CD1 3.76Å; E196-F235 HydrophobicContact CG-CG 4.19Å; A197-F235 HydrophobicContact CB-CD1 4.36Å; A197-F235 HydrophobicContact CB-CE1 3.83Å; F199-F235 HydrophobicContact CE2-CE1 4.28Å; F199-F235 HydrophobicContact CE2-CZ 4.15Å; F199-F235 HydrophobicContact CZ-CE1 4.2Å; F199-F235 HydrophobicContact CZ-CZ 4.37Å; W207-F235 AromaticContact CH2-CD2 3.7Å; W207-F235 HydrophobicContact CH2-CD2 3.7Å; W207-F235 AromaticContact CH2-CE2 3.44Å; W207-F235 HydrophobicContact CH2-CE2 3.44Å; W207-F235 VanDerWaalsContact CH2-CE2 3.44Å; W207-F235 HydrophobicContact CH2-CZ 4.42Å; W207-F235 AromaticContact CZ3-CD2 3.9Å; W207-F235 HydrophobicContact CZ3-CD2 3.9Å; W207-F235 AromaticContact CZ3-CE2 3.68Å; W207-F235 HydrophobicContact CZ3-CE2 3.68Å; L217-F235 HydrophobicContact CB-CE2 3.85Å; L217-F235 HydrophobicContact CB-CZ 4.27Å; L217-F235 HydrophobicContact CD2-CE2 4.32Å; L217-F235 HydrophobicContact CD2-CZ 3.99Å; A233-F235 HydrophobicContact CB-CZ 4.16Å
236	G	88.5	Confident	92.4	Very high	27 Å²	27	52.1 Å²	52.1	28%	0.278	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	75.7	-139.1	-176.4	0	0	0	0	0	113.8	Y169 N238 K239	Y169-G236 PolarHBondContact OH-N 3.09Å; G236-N238 VanDerWaalsContact C-N 3.34Å; G236-N238 PolarHBondContact O-N 3.14Å; G236-K239 WeakPolarHBondContact O-CB 3.33Å; G236-K239 PolarHBondContact O-N 3.27Å
237	D	85.9	Confident	92.9	Very high	138 Å²	138	51.2 Å²	51.2	74%	0.738	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-67.1	-29.3	-174.9	-91.3	-66.7	0	0	0	113.7	K55	K55-D237 IonicContact NZ-OD1 2.67Å; K55-D237 PolarHBondContact NZ-OD1 3.47Å
238	N	84.7	Confident	93.1	Very high	107 Å²	107	60.1 Å²	60.1	57%	0.572	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-93.3	8	-178	-77	0.1	0	0	0	114	E214 T234 G236 R240	E214-N238 WeakPolarHBondContact OE1-CB 3.45Å; E214-N238 WeakPolarHBondContact OE2-CB 3.48Å; E214-N238 PolarHBondContact OE2-ND2 3.14Å; T234-N238 PolarHBondContact OG1-O 2.94Å; G236-N238 VanDerWaalsContact C-N 3.34Å; G236-N238 PolarHBondContact O-N 3.14Å; N238-R240 PolarHBondContact O-N 3.09Å
239	K	91.1	Very high	93.1	Very high	113 Å²	113	61.3 Å²	61.3	49%	0.491	29%	0.29	S	S	.	.			trans	-41.9	101.5	-167.6	-170.9	164.5	-161	155.9	0	115.1	E196 T234 G236	E196-K239 PolarHBondContact O-NZ 2.82Å; E196-K239 IonicContact OE1-NZ 2.76Å; E196-K239 PolarHBondContact OE1-NZ 3.06Å; T234-K239 WeakPolarHBondContact O-CA 3.31Å; G236-K239 WeakPolarHBondContact O-CB 3.33Å; G236-K239 PolarHBondContact O-N 3.27Å
240	R	92.4	Very high	92.8	Very high	108 Å²	108	63.3 Å²	63.3	41%	0.408	30%	0.304	S	S	.	.			trans	-111.7	149.5	173.4	-173.3	169.3	176.1	-176.2	-0.3	110	A233 T234 N238 E242 W286	A233-R240 CarbonylContact C-O 3.42Å; A233-R240 WeakPolarHBondContact CA-O 3.4Å; A233-R240 WeakPolarHBondContact CB-O 3.43Å; T234-R240 PolarHBondContact N-O 3Å; T234-R240 PolarHBondContact OG1-N 3.39Å; N238-R240 PolarHBondContact O-N 3.09Å; R240-E242 IonicContact CZ-OE1 3.65Å; R240-E242 IonicContact CZ-OE2 2.79Å; R240-E242 IonicContact NE-OE1 3.22Å; R240-E242 IonicContact NE-OE2 3.72Å; R240-E242 PolarHBondContact NE-OE2 2.8Å; R240-E242 VanDerWaalsContact NH2-CD 3.25Å; R240-E242 IonicContact NH2-OE1 3.99Å; R240-E242 PolarHBondContact NH2-OE1 3.01Å; R240-E242 VanDerWaalsContact NH2-OE1 3.09Å; R240-E242 IonicContact NH2-OE2 2.61Å; R240-E242 PolarHBondContact NH2-OE2 3.11Å; R240-W286 HydrophobicContact CG-CH2 4.46Å
241	N	94.4	Very high	92.3	Very high	76 Å²	76	64.4 Å²	64.4	41%	0.406	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	118.5	164.7	-173.3	-24.7	0	0	0	108.2	F199 Y219 Y231 A233	F199-N241 WeakPolarHBondContact CE1-ND2 3.29Å; Y219-N241 PolarHBondContact OH-ND2 2.93Å; Y219-N241 PolarHBondContact OH-OD1 2.82Å; Y231-N241 WeakPolarHBondContact CD1-OD1 3.35Å; A233-N241 HydrophobicContact CB-CB 4.03Å
242	E	94.1	Very high	92.1	Very high	54 Å²	54	63.1 Å²	63.1	25%	0.252	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	149.3	-179.7	67.7	-174.9	-158.2	0	0	112	Y231 R232 R240 F244	Y231-E242 CarbonylContact C-O 3.54Å; Y231-E242 VanDerWaalsContact CA-O 3.29Å; Y231-E242 WeakPolarHBondContact CA-O 3.39Å; R232-E242 HydrophobicContact CG-CG 3.89Å; R232-E242 IonicContact CZ-OE1 3.54Å; R232-E242 VanDerWaalsContact CZ-OE1 3.25Å; R232-E242 PolarHBondContact N-O 2.88Å; R232-E242 IonicContact NE-OE1 3.47Å; R232-E242 PolarHBondContact NE-OE1 3.36Å; R232-E242 IonicContact NH2-OE1 2.78Å; R232-E242 PolarHBondContact NH2-OE1 3.32Å; R232-E242 PolarHBondContact O-N 3.03Å; R240-E242 IonicContact CZ-OE1 3.65Å; R240-E242 IonicContact CZ-OE2 2.79Å; R240-E242 IonicContact NE-OE1 3.22Å; R240-E242 IonicContact NE-OE2 3.72Å; R240-E242 PolarHBondContact NE-OE2 2.8Å; R240-E242 VanDerWaalsContact NH2-CD 3.25Å; R240-E242 IonicContact NH2-OE1 3.99Å; R240-E242 PolarHBondContact NH2-OE1 3.01Å; R240-E242 VanDerWaalsContact NH2-OE1 3.09Å; R240-E242 IonicContact NH2-OE2 2.61Å; R240-E242 PolarHBondContact NH2-OE2 3.11Å; E242-F244 PolarHBondContact O-N 2.92Å
243	R	95.2	Very high	92	Very high	136 Å²	136	64 Å²	64	51%	0.513	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	115.3	169.1	-173.7	172.1	60.2	168.8	-1.2	109.2	D229 V230 Y231 T246	D229-R243 HydrophobicContact CB-CG 4.38Å; D229-R243 WeakPolarHBondContact OD1-CD 3.49Å; D229-R243 IonicContact OD1-CZ 3.2Å; D229-R243 IonicContact OD1-NE 2.81Å; D229-R243 IonicContact OD1-NH1 2.87Å; D229-R243 PolarHBondContact OD1-NH1 3.37Å; D229-R243 IonicContact OD2-NH1 2.77Å; V230-R243 CarbonylContact O-C 3.57Å; V230-R243 WeakPolarHBondContact O-CG 3.48Å; Y231-R243 HydrophobicContact CD1-CB 4.01Å; Y231-R243 HydrophobicContact CD2-CB 4.48Å; Y231-R243 HydrophobicContact CD2-CG 4.29Å; Y231-R243 HydrophobicContact CE1-CB 3.71Å; Y231-R243 HydrophobicContact CE1-CG 4.39Å; Y231-R243 HydrophobicContact CE2-CB 4.2Å; Y231-R243 HydrophobicContact CE2-CG 3.97Å; Y231-R243 HydrophobicContact CG-CB 4.4Å; R243-T246 VanDerWaalsContact CD-OG1 3.3Å; R243-T246 WeakPolarHBondContact CD-OG1 3.41Å; R243-T246 VanDerWaalsContact CZ-OG1 3.23Å; R243-T246 PolarHBondContact NE-OG1 2.7Å; R243-T246 PolarHBondContact NH1-OG1 2.68Å; R243-T246 VanDerWaalsContact NH1-OG1 3.08Å
244	F	93.8	Very high	92	Very high	47 Å²	47	64 Å²	64	21%	0.206	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-42	-177.9	-179.1	-112.3	0	0	0	112.4	F218 V230 R232 E242 I267 I280 P289	F218-F244 HydrophobicContact CE1-CD1 4.09Å; F218-F244 HydrophobicContact CE1-CE1 4.28Å; F218-F244 HydrophobicContact CE1-CG 4.26Å; V230-F244 HydrophobicContact CG1-CD1 4.49Å; V230-F244 PolarHBondContact O-N 3.29Å; R232-F244 HydrophobicContact CG-CB 4.29Å; R232-F244 VanDerWaalsContact CZ-CD2 3.43Å; E242-F244 PolarHBondContact O-N 2.92Å; F244-I267 HydrophobicContact CD1-CD1 3.74Å; F244-I267 HydrophobicContact CE1-CD1 3.59Å; F244-I280 HydrophobicContact CD1-CD1 4.46Å; F244-I280 HydrophobicContact CE1-CD1 3.71Å; F244-I280 HydrophobicContact CE1-CG1 4.25Å; F244-I280 HydrophobicContact CZ-CD1 4.21Å; F244-I280 HydrophobicContact CZ-CG1 4.4Å; F244-P289 HydrophobicContact CE1-CG 4.18Å; F244-P289 HydrophobicContact CZ-CB 4.41Å; F244-P289 HydrophobicContact CZ-CG 3.97Å
245	Y	94.8	Very high	92	Very high	55 Å²	55	67.1 Å²	67.1	22%	0.216	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.7	-175.7	177.4	-95.2	0	0	0	112	D229 V230 E247 V254 I269	D229-Y245 WeakPolarHBondContact CA-O 3.34Å; V230-Y245 HydrophobicContact CG2-CD1 4.09Å; V230-Y245 PolarHBondContact N-O 2.67Å; V230-Y245 PolarHBondContact O-N 3.49Å; V230-Y245 VanDerWaalsContact O-N 3.17Å; Y245-E247 HydrophobicContact CE1-CB 3.91Å; Y245-E247 VanDerWaalsContact CE1-N 3.29Å; Y245-V254 HydrophobicContact CD1-CG1 4.3Å; Y245-V254 HydrophobicContact CE1-CG1 4.37Å; Y245-V254 HydrophobicContact CE1-CG2 4.07Å; Y245-I269 HydrophobicContact CE1-CD1 4.06Å; Y245-I269 HydrophobicContact CE1-CG1 4.38Å; Y245-I269 WeakPolarHBondContact OH-CD1 3.43Å
246	T	95.1	Very high	92.1	Very high	48 Å²	48	66.8 Å²	66.8	29%	0.294	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	119.2	172.2	-62.8	0	0	0	0	109	H228 D229 R243	H228-T246 WeakPolarHBondContact O-CA 3.47Å; D229-T246 WeakPolarHBondContact OD1-CG2 3.45Å; D229-T246 PolarHBondContact OD1-OG1 2.78Å; R243-T246 VanDerWaalsContact CD-OG1 3.3Å; R243-T246 WeakPolarHBondContact CD-OG1 3.41Å; R243-T246 VanDerWaalsContact CZ-OG1 3.23Å; R243-T246 PolarHBondContact NE-OG1 2.7Å; R243-T246 PolarHBondContact NH1-OG1 2.68Å; R243-T246 VanDerWaalsContact NH1-OG1 3.08Å
247	E	95.1	Very high	92.4	Very high	20 Å²	20	68.7 Å²	68.7	9%	0.093	32%	0.322	C	S	.	.			trans	-70.4	140	165.3	177.6	56.6	-83.4	0	0	109.8	H228 Y245 D249 V254 I269 R295	H228-E247 PolarHBondContact O-N 3.17Å; Y245-E247 HydrophobicContact CE1-CB 3.91Å; Y245-E247 VanDerWaalsContact CE1-N 3.29Å; E247-D249 WeakPolarHBondContact CG-O 3.44Å; E247-D249 PolarHBondContact OE1-N 3.17Å; E247-V254 HydrophobicContact CB-CG2 3.61Å; E247-V254 HydrophobicContact CG-CG2 4.44Å; E247-I269 HydrophobicContact CG-CG2 4.41Å; E247-I269 WeakPolarHBondContact OE2-CG2 3.25Å; E247-R295 IonicContact OE2-CZ 3.6Å; E247-R295 IonicContact OE2-NH1 3.77Å; E247-R295 PolarHBondContact OE2-NH1 2.85Å; E247-R295 IonicContact OE2-NH2 2.76Å; E247-R295 PolarHBondContact OE2-NH2 3.49Å
248	K	93.8	Very high	92.7	Very high	191 Å²	191	63.3 Å²	63.3	83%	0.83	29%	0.293	S	S	*	.			trans	-103.4	-23.6	-176.3	-60.6	172.4	-174.3	170.7	0	112.2	P250	K248-P250 WeakPolarHBondContact O-CD 3.39Å
249	D	91.7	Very high	93.2	Very high	66 Å²	66	58.3 Å²	58.3	35%	0.353	27%	0.267	S	S	.	.			trans	-85.2	112.2	173.6	-168.7	-40.7	0	0	0	110.4	E247 S251 Y252	E247-D249 WeakPolarHBondContact CG-O 3.44Å; E247-D249 PolarHBondContact OE1-N 3.17Å; D249-S251 PolarHBondContact O-N 3.43Å; D249-S251 WeakPolarHBondContact OD1-CB 3.11Å; D249-S251 PolarHBondContact OD1-N 3.1Å; D249-S251 PolarHBondContact OD1-OG 3Å; D249-Y252 HydrophobicContact CB-CD2 3.75Å; D249-Y252 HydrophobicContact CB-CE2 4.32Å; D249-Y252 PolarHBondContact O-N 3.32Å; D249-Y252 VanDerWaalsContact O-N 3.15Å
250	P	87.6	Confident	93	Very high	59 Å²	59	55.1 Å²	55.1	38%	0.383	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-0.7	-175	31.6	-37.4	0	0	0	114.4	R226 K248 L601	R226-P250 PolarHBondContact NH1-O 2.98Å; K248-P250 WeakPolarHBondContact O-CD 3.39Å; P250-L601 HydrophobicContact CB-CD1 4.15Å; P250-L601 HydrophobicContact CG-CD1 3.99Å
251	S	87.1	Confident	92.9	Very high	23 Å²	23	50.9 Å²	50.9	16%	0.161	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-8.2	172.7	70	0	0	0	0	114.1	D249 N271	D249-S251 PolarHBondContact O-N 3.43Å; D249-S251 WeakPolarHBondContact OD1-CB 3.11Å; D249-S251 PolarHBondContact OD1-N 3.1Å; D249-S251 PolarHBondContact OD1-OG 3Å; S251-N271 VanDerWaalsContact O-CB 3.29Å; S251-N271 WeakPolarHBondContact O-CB 3.33Å
252	Y	91.7	Very high	92.6	Very high	20 Å²	20	48.5 Å²	48.5	8%	0.078	23%	0.228	C	C	.	.			trans	-106.3	140.8	179.6	-72.4	-103	0	0	0	111.9	H228 D249 I269 N271 T274	H228-Y252 PolarHBondContact CE1-O 2.76Å; H228-Y252 PolarHBondContact ND1-O 3.49Å; D249-Y252 HydrophobicContact CB-CD2 3.75Å; D249-Y252 HydrophobicContact CB-CE2 4.32Å; D249-Y252 PolarHBondContact O-N 3.32Å; D249-Y252 VanDerWaalsContact O-N 3.15Å; Y252-I269 HydrophobicContact CD1-CG2 3.99Å; Y252-I269 HydrophobicContact CG-CG2 4.29Å; Y252-N271 HydrophobicContact CD1-CB 4.3Å; Y252-N271 HydrophobicContact CE1-CB 4.4Å; Y252-N271 HydrophobicContact CG-CB 4.49Å; Y252-T274 HydrophobicContact CE1-CG2 4.08Å; Y252-T274 WeakPolarHBondContact OH-CG2 3.42Å
253	F	92.7	Very high	92.5	Very high	38 Å²	38	49.3 Å²	49.3	17%	0.167	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	143.5	179.2	-77.6	-124.4	0	0	0	109.7	L225 R226 C227 I269 M270 E602	L225-F253 VanDerWaalsContact O-CE1 3.23Å; L225-F253 WeakPolarHBondContact O-CE1 3.44Å; R226-F253 HydrophobicContact CB-CE1 4.49Å; R226-F253 HydrophobicContact CB-CZ 4.35Å; R226-F253 HydrophobicContact CG-CE1 4.45Å; R226-F253 HydrophobicContact CG-CE2 4.28Å; R226-F253 HydrophobicContact CG-CZ 3.88Å; C227-F253 CarbonylContact O-C 3.54Å; C227-F253 WeakPolarHBondContact O-CA 3.48Å; F253-I269 WeakPolarHBondContact O-CA 3.47Å; F253-M270 PolarHBondContact N-O 3.1Å; F253-M270 PolarHBondContact O-N 2.86Å; F253-E602 HydrophobicContact CD2-CG 4.16Å; F253-E602 HydrophobicContact CE2-CB 4.02Å; F253-E602 HydrophobicContact CE2-CG 3.6Å; F253-E602 HydrophobicContact CZ-CG 4.36Å; F253-E602 WeakPolarHBondContact CZ-OE2 3.34Å
254	V	95.6	Very high	92.5	Very high	1 Å²	1	44 Å²	44	1%	0.006	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.8	-176.8	-169	0	0	0	0	110.6	C227 V230 Y245 E247 I267 N268 I269	C227-V254 VanDerWaalsContact CB-O 3.23Å; C227-V254 WeakPolarHBondContact CB-O 3.16Å; C227-V254 PolarHBondContact O-N 3.44Å; V230-V254 HydrophobicContact CG2-CG1 3.53Å; Y245-V254 HydrophobicContact CD1-CG1 4.3Å; Y245-V254 HydrophobicContact CE1-CG1 4.37Å; Y245-V254 HydrophobicContact CE1-CG2 4.07Å; E247-V254 HydrophobicContact CB-CG2 3.61Å; E247-V254 HydrophobicContact CG-CG2 4.44Å; V254-I267 HydrophobicContact CG1-CG2 3.66Å; V254-N268 WeakPolarHBondContact CA-O 3.42Å; V254-I269 HydrophobicContact CG1-CG1 4.43Å; V254-I269 HydrophobicContact CG2-CG1 4.36Å; V254-I269 HydrophobicContact CG2-CG2 4.46Å
255	F	93.8	Very high	92.6	Very high	67 Å²	67	41.8 Å²	41.8	29%	0.294	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	158.4	178.5	49.9	-86.4	0	0	0	111.2	S204 N268 M270	S204-F255 WeakPolarHBondContact OG-CA 3.38Å; F255-N268 HydrophobicContact CD2-CB 3.79Å; F255-N268 HydrophobicContact CE1-CB 4.48Å; F255-N268 HydrophobicContact CE2-CB 3.4Å; F255-N268 HydrophobicContact CG-CB 4.47Å; F255-N268 HydrophobicContact CZ-CB 3.79Å; F255-N268 PolarHBondContact N-O 3.03Å; F255-N268 PolarHBondContact O-N 2.78Å; F255-M270 HydrophobicContact CE1-CG 3.76Å; F255-M270 HydrophobicContact CE1-SD 4.34Å; F255-M270 HydrophobicContact CE2-CE 4.41Å; F255-M270 HydrophobicContact CZ-CE 3.68Å; F255-M270 HydrophobicContact CZ-CG 3.71Å; F255-M270 HydrophobicContact CZ-SD 3.73Å
256	L	95.9	Very high	92.7	Very high	9 Å²	9	39.2 Å²	39.2	5%	0.047	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147.2	-174.3	-64.9	165.1	0	0	0	110.5	S204 E206 F218 Y219 T220 V230 L265 T266 I267	S204-L256 PolarHBondContact OG-N 3.03Å; E206-L256 HydrophobicContact CG-CB 3.98Å; F218-L256 HydrophobicContact CB-CD1 3.71Å; F218-L256 HydrophobicContact CB-CD2 4.36Å; F218-L256 WeakPolarHBondContact O-CD1 3.18Å; Y219-L256 VanDerWaalsContact CA-CD1 3.44Å; Y219-L256 VanDerWaalsContact N-CD1 3.35Å; T220-L256 HydrophobicContact CG2-CD1 4.13Å; T220-L256 HydrophobicContact CG2-CG 4.05Å; V230-L256 HydrophobicContact CG1-CD1 4.42Å; V230-L256 HydrophobicContact CG1-CD2 4.08Å; L256-L265 HydrophobicContact CB-CD1 4.2Å; L256-L265 HydrophobicContact CD2-CD1 4.15Å; L256-L265 HydrophobicContact CD2-CD2 4.31Å; L256-L265 HydrophobicContact CD2-CG 4.33Å; L256-T266 WeakPolarHBondContact CA-O 3.38Å; L256-I267 HydrophobicContact CD2-CG1 3.77Å
257	Y	93.4	Very high	92.8	Very high	66 Å²	66	37 Å²	37	26%	0.259	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	126.1	169.2	172.6	-97.5	0	0	0	109.6	T266 E304	Y257-T266 WeakPolarHBondContact CB-OG1 3.43Å; Y257-T266 PolarHBondContact N-O 3.19Å; Y257-T266 VanDerWaalsContact N-O 3.14Å; Y257-T266 WeakPolarHBondContact O-CB 3.27Å; Y257-T266 PolarHBondContact O-N 3.08Å; Y257-T266 PolarHBondContact O-OG1 3.04Å; Y257-E304 PolarHBondContact OH-OE1 2.94Å
258	L	93.4	Very high	92.9	Very high	25 Å²	25	36.4 Å²	36.4	13%	0.131	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.6	173.4	-172.2	67.7	0	0	0	108.4	E206 V208 S262 L265	E206-L258 HydrophobicContact CB-CB 4.37Å; E206-L258 HydrophobicContact CG-CB 4.08Å; E206-L258 WeakPolarHBondContact OE2-CB 3.36Å; V208-L258 HydrophobicContact CG1-CD1 3.84Å; L258-S262 WeakPolarHBondContact CD2-OG 3.5Å; L258-L265 HydrophobicContact CD1-CB 4.22Å
259	T	93.5	Very high	93.1	Very high	2 Å²	2	27.3 Å²	27.3	1%	0.012	13%	0.134	C	C	.	.			trans	-57.3	152.3	178.8	44.8	0	0	0	0	111.7	D261 S262 R263 F264 T266 E304 H305	T259-D261 PolarHBondContact O-N 3.43Å; T259-D261 PolarHBondContact OG1-OD1 3.24Å; T259-S262 WeakPolarHBondContact O-CA 3.25Å; T259-S262 PolarHBondContact O-N 3.47Å; T259-S262 PolarHBondContact O-OG 2.79Å; T259-S262 WeakPolarHBondContact OG1-CA 3.44Å; T259-S262 PolarHBondContact OG1-N 3.37Å; T259-R263 PolarHBondContact OG1-N 3.33Å; T259-F264 HydrophobicContact CG2-CB 4.27Å; T259-F264 PolarHBondContact N-O 2.85Å; T259-F264 PolarHBondContact OG1-N 3.29Å; T259-F264 PolarHBondContact OG1-O 3.37Å; T259-T266 HydrophobicContact CG2-CG2 4.22Å; T259-E304 VanDerWaalsContact CA-OE2 3.29Å; T259-E304 WeakPolarHBondContact CA-OE2 3.47Å; T259-E304 WeakPolarHBondContact CB-OE2 3.43Å; T259-H305 HydrophobicContact CG2-CB 3.88Å
260	K	88.4	Confident	93.2	Very high	47 Å²	47	25.2 Å²	25.2	20%	0.204	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-24.1	177.9	-74.3	-87.9	173.5	149	0	113.2	H36 E304 D353 M354	H36-K260 HydrophobicContact CB-CD 4.32Å; H36-K260 WeakPolarHBondContact CD2-CE 3.33Å; H36-K260 PolarHBondContact CD2-NZ 2.91Å; H36-K260 VanDerWaalsContact CD2-NZ 3.31Å; H36-K260 PolarHBondContact CE1-NZ 3.35Å; H36-K260 VanDerWaalsContact CG-CE 3.45Å; H36-K260 PolarHBondContact ND1-NZ 3.18Å; H36-K260 PolarHBondContact NE2-NZ 3.29Å; K260-E304 VanDerWaalsContact CB-OE1 3.24Å; K260-E304 WeakPolarHBondContact CB-OE1 3.49Å; K260-E304 WeakPolarHBondContact CG-OE1 3.46Å; K260-E304 PolarHBondContact N-OE1 2.96Å; K260-E304 PolarHBondContact N-OE2 3.12Å; K260-D353 WeakPolarHBondContact CD-OD1 3.48Å; K260-D353 WeakPolarHBondContact CE-OD1 3.23Å; K260-D353 IonicContact NZ-OD1 2.71Å; K260-D353 PolarHBondContact NZ-OD1 3.13Å; K260-D353 IonicContact NZ-OD2 3.32Å; K260-M354 HydrophobicContact CB-CB 4.12Å; K260-M354 WeakPolarHBondContact CB-O 3.4Å; K260-M354 HydrophobicContact CG-CB 4.22Å
261	D	89.7	Confident	93.3	Very high	19 Å²	19	23 Å²	23	10%	0.102	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	2.3	169.1	95.9	-30.6	0	0	0	114	Y38 T259 R263 H305 R306	Y38-D261 VanDerWaalsContact CE2-C 3.43Å; Y38-D261 WeakPolarHBondContact CE2-O 3.39Å; Y38-D261 PolarHBondContact OH-O 3.36Å; T259-D261 PolarHBondContact O-N 3.43Å; T259-D261 PolarHBondContact OG1-OD1 3.24Å; D261-R263 PolarHBondContact O-N 2.91Å; D261-R263 VanDerWaalsContact OD1-CB 3.29Å; D261-R263 WeakPolarHBondContact OD1-CB 3.31Å; D261-R263 PolarHBondContact OD1-N 3.39Å; D261-H305 IonicContact OD1-CG 3.65Å; D261-H305 IonicContact OD1-ND1 2.82Å; D261-H305 PolarHBondContact OD1-ND1 3.07Å; D261-H305 IonicContact OD2-CE1 2.68Å; D261-H305 PolarHBondContact OD2-CE1 3.11Å; D261-H305 VanDerWaalsContact OD2-CE1 3.28Å; D261-H305 IonicContact OD2-CG 3.79Å; D261-H305 IonicContact OD2-ND1 2.83Å; D261-H305 PolarHBondContact OD2-ND1 2.85Å; D261-R306 VanDerWaalsContact CB-NH1 3.28Å
262	S	88.8	Confident	93.3	Very high	25 Å²	25	24.2 Å²	24.2	18%	0.175	11%	0.109	C	C	.	.			trans	41	26.3	177.8	-50.3	0	0	0	0	115.5	Y38 L258 T259 F264	Y38-S262 WeakPolarHBondContact CD2-OG 3.44Å; L258-S262 WeakPolarHBondContact CD2-OG 3.5Å; T259-S262 WeakPolarHBondContact O-CA 3.25Å; T259-S262 PolarHBondContact O-N 3.47Å; T259-S262 PolarHBondContact O-OG 2.79Å; T259-S262 WeakPolarHBondContact OG1-CA 3.44Å; T259-S262 PolarHBondContact OG1-N 3.37Å; S262-F264 VanDerWaalsContact C-N 3.29Å
263	R	90.8	Very high	93.2	Very high	72 Å²	72	23.6 Å²	23.6	27%	0.272	11%	0.108	S	C	.	.	S	Bend	trans	-70.4	-32.4	172.8	-177.9	69.1	-166.7	86.7	2.8	110.9	T259 D261 D281 G282 H305	T259-R263 PolarHBondContact OG1-N 3.33Å; D261-R263 PolarHBondContact O-N 2.91Å; D261-R263 VanDerWaalsContact OD1-CB 3.29Å; D261-R263 WeakPolarHBondContact OD1-CB 3.31Å; D261-R263 PolarHBondContact OD1-N 3.39Å; R263-D281 IonicContact CZ-OD1 3.43Å; R263-D281 IonicContact CZ-OD2 3.24Å; R263-D281 VanDerWaalsContact CZ-OD2 3.31Å; R263-D281 IonicContact NH1-OD1 3.77Å; R263-D281 PolarHBondContact NH1-OD1 2.96Å; R263-D281 IonicContact NH1-OD2 3.71Å; R263-D281 PolarHBondContact NH1-OD2 3.07Å; R263-D281 VanDerWaalsContact NH1-OD2 3.15Å; R263-D281 IonicContact NH2-OD1 2.75Å; R263-D281 IonicContact NH2-OD2 2.76Å; R263-D281 PolarHBondContact NH2-OD2 3.39Å; R263-G282 PolarHBondContact O-N 3.01Å; R263-H305 WeakPolarHBondContact CB-ND1 3.37Å
264	F	94.8	Very high	93.3	Very high	25 Å²	25	21.8 Å²	21.8	11%	0.11	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.9	-177.6	-62.2	-76.6	0	0	0	112.3	T259 S262 L279 I280 D281 H305	T259-F264 HydrophobicContact CG2-CB 4.27Å; T259-F264 PolarHBondContact N-O 2.85Å; T259-F264 PolarHBondContact OG1-N 3.29Å; T259-F264 PolarHBondContact OG1-O 3.37Å; S262-F264 VanDerWaalsContact C-N 3.29Å; F264-L279 HydrophobicContact CB-CD2 4.18Å; F264-L279 HydrophobicContact CD1-CB 4.14Å; F264-L279 HydrophobicContact CD1-CD1 4.45Å; F264-L279 HydrophobicContact CG-CD2 4.46Å; F264-I280 WeakPolarHBondContact CA-O 3.35Å; F264-D281 HydrophobicContact CE1-CB 4.41Å; F264-H305 HydrophobicContact CD2-CB 3.92Å; F264-H305 AromaticContact CD2-CD2 3.9Å; F264-H305 AromaticContact CD2-CG 3.59Å; F264-H305 AromaticContact CD2-ND1 3.89Å; F264-H305 HydrophobicContact CE2-CB 4.5Å; F264-H305 AromaticContact CE2-CD2 3.58Å; F264-H305 AromaticContact CE2-CE1 3.89Å; F264-H305 AromaticContact CE2-CG 3.73Å; F264-H305 AromaticContact CE2-ND1 3.91Å; F264-H305 AromaticContact CE2-NE2 3.68Å
265	L	96.3	Very high	93.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	133	160.9	170.8	65.7	0	0	0	108.6	E206 V208 F218 L256 L258 I280	E206-L265 HydrophobicContact CB-CD1 3.58Å; E206-L265 HydrophobicContact CG-CD1 3.8Å; V208-L265 HydrophobicContact CG1-CB 3.71Å; V208-L265 HydrophobicContact CG1-CD2 4.19Å; V208-L265 HydrophobicContact CG1-CG 4.49Å; F218-L265 HydrophobicContact CB-CD2 3.51Å; F218-L265 HydrophobicContact CD1-CD2 3.78Å; F218-L265 HydrophobicContact CD2-CD2 3.53Å; F218-L265 HydrophobicContact CE1-CD2 4.36Å; F218-L265 HydrophobicContact CE2-CD2 4.15Å; F218-L265 HydrophobicContact CG-CD2 3.31Å; L256-L265 HydrophobicContact CB-CD1 4.2Å; L256-L265 HydrophobicContact CD2-CD1 4.15Å; L256-L265 HydrophobicContact CD2-CD2 4.31Å; L256-L265 HydrophobicContact CD2-CG 4.33Å; L258-L265 HydrophobicContact CD1-CB 4.22Å; L265-I280 HydrophobicContact CB-CB 4.24Å; L265-I280 HydrophobicContact CD2-CD1 4.01Å; L265-I280 HydrophobicContact CG-CD1 4.34Å; L265-I280 PolarHBondContact N-O 2.84Å; L265-I280 PolarHBondContact O-N 3.45Å
266	T	97.2	Very high	93.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	130.1	-179.5	67.6	0	0	0	0	110.3	L256 Y257 T259 N268 V277 W278 L279	L256-T266 WeakPolarHBondContact CA-O 3.38Å; Y257-T266 WeakPolarHBondContact CB-OG1 3.43Å; Y257-T266 PolarHBondContact N-O 3.19Å; Y257-T266 VanDerWaalsContact N-O 3.14Å; Y257-T266 WeakPolarHBondContact O-CB 3.27Å; Y257-T266 PolarHBondContact O-N 3.08Å; Y257-T266 PolarHBondContact O-OG1 3.04Å; T259-T266 HydrophobicContact CG2-CG2 4.22Å; T266-N268 PolarHBondContact OG1-ND2 3Å; T266-V277 HydrophobicContact CG2-CG1 4.4Å; T266-W278 WeakPolarHBondContact CA-O 3.33Å; T266-L279 HydrophobicContact CG2-CD2 3.81Å
267	I	97.7	Very high	93.6	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.015	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	110	161.1	-65.3	174.2	0	0	0	106.6	V230 F244 V254 L256 I269 V277 W278 I280	V230-I267 HydrophobicContact CG1-CD1 4.3Å; V230-I267 HydrophobicContact CG2-CD1 4.16Å; V230-I267 HydrophobicContact CG2-CG1 4.39Å; V230-I267 HydrophobicContact CG2-CG2 4.19Å; F244-I267 HydrophobicContact CD1-CD1 3.74Å; F244-I267 HydrophobicContact CE1-CD1 3.59Å; V254-I267 HydrophobicContact CG1-CG2 3.66Å; L256-I267 HydrophobicContact CD2-CG1 3.77Å; I267-I269 HydrophobicContact CG2-CG1 4.09Å; I267-V277 WeakPolarHBondContact O-CA 3.44Å; I267-W278 HydrophobicContact CB-CB 4.35Å; I267-W278 PolarHBondContact N-O 2.69Å; I267-W278 PolarHBondContact O-N 3.07Å; I267-I280 HydrophobicContact CD1-CD1 3.82Å; I267-I280 HydrophobicContact CG1-CD1 4.01Å
268	N	97.3	Very high	93.8	Very high	7 Å²	7	18.8 Å²	18.8	4%	0.037	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	125.9	177.6	-59.9	-83	0	0	0	108.7	V254 F255 T266	V254-N268 WeakPolarHBondContact CA-O 3.42Å; F255-N268 HydrophobicContact CD2-CB 3.79Å; F255-N268 HydrophobicContact CE1-CB 4.48Å; F255-N268 HydrophobicContact CE2-CB 3.4Å; F255-N268 HydrophobicContact CG-CB 4.47Å; F255-N268 HydrophobicContact CZ-CB 3.79Å; F255-N268 PolarHBondContact N-O 3.03Å; F255-N268 PolarHBondContact O-N 2.78Å; T266-N268 PolarHBondContact OG1-ND2 3Å
269	I	97.1	Very high	94	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.1	178.2	-52.8	162.9	0	0	0	106.3	Y245 E247 Y252 F253 V254 I267 S275 E276	Y245-I269 HydrophobicContact CE1-CD1 4.06Å; Y245-I269 HydrophobicContact CE1-CG1 4.38Å; Y245-I269 WeakPolarHBondContact OH-CD1 3.43Å; E247-I269 HydrophobicContact CG-CG2 4.41Å; E247-I269 WeakPolarHBondContact OE2-CG2 3.25Å; Y252-I269 HydrophobicContact CD1-CG2 3.99Å; Y252-I269 HydrophobicContact CG-CG2 4.29Å; F253-I269 WeakPolarHBondContact O-CA 3.47Å; V254-I269 HydrophobicContact CG1-CG1 4.43Å; V254-I269 HydrophobicContact CG2-CG1 4.36Å; V254-I269 HydrophobicContact CG2-CG2 4.46Å; I267-I269 HydrophobicContact CG2-CG1 4.09Å; I269-S275 CarbonylContact O-C 3.58Å; I269-S275 VanDerWaalsContact O-CA 3.28Å; I269-S275 WeakPolarHBondContact O-CA 3.02Å; I269-E276 HydrophobicContact CB-CB 4.28Å; I269-E276 WeakPolarHBondContact CB-O 3.35Å; I269-E276 PolarHBondContact N-O 3.05Å; I269-E276 PolarHBondContact O-N 2.97Å
270	M	94.2	Very high	94	Very high	21 Å²	21	17.8 Å²	17.8	10%	0.103	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	162.6	177.3	70.7	-179.9	60	0	0	114.8	F253 F255 T274 Y302	F253-M270 PolarHBondContact N-O 3.1Å; F253-M270 PolarHBondContact O-N 2.86Å; F255-M270 HydrophobicContact CE1-CG 3.76Å; F255-M270 HydrophobicContact CE1-SD 4.34Å; F255-M270 HydrophobicContact CE2-CE 4.41Å; F255-M270 HydrophobicContact CZ-CE 3.68Å; F255-M270 HydrophobicContact CZ-CG 3.71Å; F255-M270 HydrophobicContact CZ-SD 3.73Å; M270-T274 CarbonylContact C-O 3.57Å; M270-T274 VanDerWaalsContact CA-O 3.22Å; M270-T274 WeakPolarHBondContact CA-O 3.38Å; M270-T274 VanDerWaalsContact CB-O 3.32Å; M270-T274 WeakPolarHBondContact CB-O 2.95Å; M270-Y302 HydrophobicContact CE-CD1 3.95Å; M270-Y302 HydrophobicContact CE-CE1 3.47Å; M270-Y302 VanDerWaalsContact CE-CE1 3.47Å; M270-Y302 HydrophobicContact SD-CE1 3.96Å
271	N	90.9	Very high	94.2	Very high	13 Å²	13	17.5 Å²	17.5	7%	0.07	8%	0.081	C	C	.	.			trans	-120	-169.7	161.7	77.8	3.2	0	0	0	109.2	S251 Y252 T273 T274 E605	S251-N271 VanDerWaalsContact O-CB 3.29Å; S251-N271 WeakPolarHBondContact O-CB 3.33Å; Y252-N271 HydrophobicContact CD1-CB 4.3Å; Y252-N271 HydrophobicContact CE1-CB 4.4Å; Y252-N271 HydrophobicContact CG-CB 4.49Å; N271-T273 PolarHBondContact O-N 3.19Å; N271-T273 PolarHBondContact OD1-N 2.69Å; N271-T274 PolarHBondContact N-O 3.45Å; N271-T274 WeakPolarHBondContact OD1-CB 3.33Å; N271-T274 PolarHBondContact OD1-N 3.17Å; N271-T274 PolarHBondContact OD1-O 2.79Å; N271-E605 PolarHBondContact ND2-OE1 3.22Å; N271-E605 PolarHBondContact ND2-OE2 2.71Å; N271-E605 PolarHBondContact OD1-OE2 2.95Å
272	K	86.9	Confident	94.3	Very high	48 Å²	48	16.9 Å²	16.9	21%	0.209	8%	0.079	C	C	.	.	S	Bend	trans	-63.3	-10.3	-176.6	-65.2	-170.9	174.4	71.1	0	115.5	Y482 E602	K272-Y482 HydrophobicContact CD-CD1 3.99Å; K272-Y482 VanDerWaalsContact CE-CD1 3.42Å; K272-E602 WeakPolarHBondContact CE-OE1 3.42Å; K272-E602 WeakPolarHBondContact CG-OE1 3.44Å; K272-E602 PolarHBondContact NZ-O 3.16Å; K272-E602 IonicContact NZ-OE1 3.8Å; K272-E602 PolarHBondContact NZ-OE1 2.82Å; K272-E602 IonicContact NZ-OE2 3.35Å
273	T	88.7	Confident	94.3	Very high	8 Å²	8	19 Å²	19	5%	0.049	9%	0.088	C	C	.	.	S	Bend	trans	-137.7	-9.3	-178.8	64.6	0	0	0	0	115.8	N271 G298 V299 R524 E605	N271-T273 PolarHBondContact O-N 3.19Å; N271-T273 PolarHBondContact OD1-N 2.69Å; T273-G298 CarbonylContact O-C 3.45Å; T273-G298 WeakPolarHBondContact O-CA 3.32Å; T273-G298 PolarHBondContact O-N 2.86Å; T273-V299 CarbonylContact O-C 3.27Å; T273-V299 PolarHBondContact O-N 3.45Å; T273-R524 VanDerWaalsContact CG2-NH2 3.34Å; T273-E605 VanDerWaalsContact CB-OE2 3.31Å; T273-E605 WeakPolarHBondContact CB-OE2 3.24Å; T273-E605 HydrophobicContact CG2-CB 4.34Å; T273-E605 WeakPolarHBondContact CG2-OE2 3.05Å; T273-E605 PolarHBondContact N-OE2 2.72Å; T273-E605 VanDerWaalsContact N-OE2 3.13Å; T273-E605 PolarHBondContact OG1-OE1 3.38Å; T273-E605 VanDerWaalsContact OG1-OE1 3.08Å; T273-E605 PolarHBondContact OG1-OE2 3.26Å
274	T	94.6	Very high	94.3	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.084	C	C	.	.			trans	-142.1	130	-166.4	-53.3	0	0	0	0	110.4	Y252 M270 N271 R295 I296 H297 G298 V299	Y252-T274 HydrophobicContact CE1-CG2 4.08Å; Y252-T274 WeakPolarHBondContact OH-CG2 3.42Å; M270-T274 CarbonylContact C-O 3.57Å; M270-T274 VanDerWaalsContact CA-O 3.22Å; M270-T274 WeakPolarHBondContact CA-O 3.38Å; M270-T274 VanDerWaalsContact CB-O 3.32Å; M270-T274 WeakPolarHBondContact CB-O 2.95Å; N271-T274 PolarHBondContact N-O 3.45Å; N271-T274 WeakPolarHBondContact OD1-CB 3.33Å; N271-T274 PolarHBondContact OD1-N 3.17Å; N271-T274 PolarHBondContact OD1-O 2.79Å; T274-R295 HydrophobicContact CG2-CB 3.86Å; T274-I296 WeakPolarHBondContact CG2-O 3.36Å; T274-H297 WeakPolarHBondContact OG1-CA 3.47Å; T274-H297 PolarHBondContact OG1-ND1 2.66Å; T274-G298 PolarHBondContact OG1-N 2.95Å; T274-G298 VanDerWaalsContact OG1-N 3.07Å; T274-V299 WeakPolarHBondContact CA-O 3.37Å
275	S	96.8	Very high	94.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	164	173.8	71.4	0	0	0	0	114.8	I269 V299 Y301	I269-S275 CarbonylContact O-C 3.58Å; I269-S275 VanDerWaalsContact O-CA 3.28Å; I269-S275 WeakPolarHBondContact O-CA 3.02Å; S275-V299 PolarHBondContact N-O 2.81Å; S275-Y301 WeakPolarHBondContact O-CE1 3.29Å; S275-Y301 VanDerWaalsContact OG-CD1 3.26Å; S275-Y301 WeakPolarHBondContact OG-CD1 3.49Å; S275-Y301 PolarHBondContact OG-N 3.34Å; S275-Y301 PolarHBondContact OG-O 3.46Å
276	E	97.7	Very high	93.9	Very high	13 Å²	13	19 Å²	19	6%	0.061	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	131.1	172.4	-168.4	169.2	91	0	0	108	I269 W278 L291 R295	I269-E276 HydrophobicContact CB-CB 4.28Å; I269-E276 WeakPolarHBondContact CB-O 3.35Å; I269-E276 PolarHBondContact N-O 3.05Å; I269-E276 PolarHBondContact O-N 2.97Å; E276-W278 PolarHBondContact OE1-NE1 2.98Å; E276-L291 HydrophobicContact CG-CD1 3.68Å; E276-R295 HydrophobicContact CB-CB 4.13Å; E276-R295 VanDerWaalsContact CD-NE 3.32Å; E276-R295 IonicContact OE1-CZ 2.77Å; E276-R295 IonicContact OE1-NE 2.72Å; E276-R295 PolarHBondContact OE1-NE 3.02Å; E276-R295 IonicContact OE1-NH2 2.84Å; E276-R295 PolarHBondContact OE1-NH2 3.02Å; E276-R295 WeakPolarHBondContact OE2-CG 3.4Å; E276-R295 IonicContact OE2-CZ 2.7Å; E276-R295 PolarHBondContact OE2-N 2.65Å; E276-R295 IonicContact OE2-NE 3.25Å; E276-R295 PolarHBondContact OE2-NE 2.67Å; E276-R295 IonicContact OE2-NH2 3.8Å
277	V	98.1	Very high	93.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.3	-176.8	-171.4	0	0	0	0	109.7	T266 I267 I292 Y301	T266-V277 HydrophobicContact CG2-CG1 4.4Å; I267-V277 WeakPolarHBondContact O-CA 3.44Å; V277-I292 HydrophobicContact CB-CD1 3.88Å; V277-I292 HydrophobicContact CG1-CD1 3.72Å; V277-I292 WeakPolarHBondContact O-CB 3.18Å; V277-I292 PolarHBondContact O-N 2.82Å; V277-I292 VanDerWaalsContact O-N 3.09Å; V277-Y301 HydrophobicContact CB-CE2 3.74Å; V277-Y301 HydrophobicContact CG2-CD2 4.06Å; V277-Y301 HydrophobicContact CG2-CE2 3.56Å; V277-Y301 PolarHBondContact N-OH 2.95Å
278	W	97.6	Very high	93.3	Very high	66 Å²	66	29 Å²	29	25%	0.25	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.2	175.9	-63.4	73	0	0	0	109.3	T266 I267 E276 P289 V290 L291	T266-W278 WeakPolarHBondContact CA-O 3.33Å; I267-W278 HydrophobicContact CB-CB 4.35Å; I267-W278 PolarHBondContact N-O 2.69Å; I267-W278 PolarHBondContact O-N 3.07Å; E276-W278 PolarHBondContact OE1-NE1 2.98Å; W278-P289 HydrophobicContact CB-CB 4.3Å; W278-P289 HydrophobicContact CE3-CB 4.18Å; W278-P289 HydrophobicContact CE3-CG 3.93Å; W278-P289 HydrophobicContact CZ3-CG 4.46Å; W278-V290 CarbonylContact C-O 3.43Å; W278-V290 WeakPolarHBondContact CA-O 3.48Å; W278-L291 HydrophobicContact CD2-CB 4Å; W278-L291 HydrophobicContact CD2-CD1 4.06Å; W278-L291 HydrophobicContact CE3-CB 3.76Å; W278-L291 HydrophobicContact CG-CD1 4.32Å; W278-L291 HydrophobicContact CH2-CB 3.99Å; W278-L291 HydrophobicContact CH2-CD2 4.32Å; W278-L291 HydrophobicContact CZ2-CB 4.2Å; W278-L291 HydrophobicContact CZ2-CD1 4.1Å; W278-L291 HydrophobicContact CZ2-CD2 4.16Å; W278-L291 HydrophobicContact CZ2-CG 4.39Å; W278-L291 HydrophobicContact CZ3-CB 3.77Å
279	L	96.2	Very high	93.2	Very high	5 Å²	5	30.5 Å²	30.5	3%	0.026	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	134.6	174.8	-59.7	179.5	0	0	0	110.7	F264 T266 P289 V290 I292 L310	F264-L279 HydrophobicContact CB-CD2 4.18Å; F264-L279 HydrophobicContact CD1-CB 4.14Å; F264-L279 HydrophobicContact CD1-CD1 4.45Å; F264-L279 HydrophobicContact CG-CD2 4.46Å; T266-L279 HydrophobicContact CG2-CD2 3.81Å; L279-P289 CarbonylContact O-C 3.03Å; L279-P289 WeakPolarHBondContact O-CA 3.44Å; L279-P289 WeakPolarHBondContact O-CB 3.41Å; L279-V290 HydrophobicContact CB-CB 4.48Å; L279-V290 PolarHBondContact N-O 3.25Å; L279-V290 PolarHBondContact O-N 3.08Å; L279-I292 HydrophobicContact CD1-CD1 4.06Å; L279-I292 HydrophobicContact CD1-CG1 3.99Å; L279-I292 HydrophobicContact CD2-CD1 3.61Å; L279-I292 HydrophobicContact CD2-CG1 4.36Å; L279-I292 HydrophobicContact CG-CD1 3.59Å; L279-I292 HydrophobicContact CG-CG1 3.78Å; L279-L310 HydrophobicContact CD1-CD1 3.96Å; L279-L310 HydrophobicContact CD1-CD2 3.9Å
280	I	95.3	Very high	93.1	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.8	163.1	-62.8	165.1	0	0	0	106.1	F218 F244 F264 L265 I267 G282 P285 P289	F218-I280 HydrophobicContact CD1-CD1 3.99Å; F218-I280 HydrophobicContact CE1-CD1 3.55Å; F218-I280 HydrophobicContact CZ-CD1 4.1Å; F218-I280 HydrophobicContact CZ-CG2 4.36Å; F244-I280 HydrophobicContact CD1-CD1 4.46Å; F244-I280 HydrophobicContact CE1-CD1 3.71Å; F244-I280 HydrophobicContact CE1-CG1 4.25Å; F244-I280 HydrophobicContact CZ-CD1 4.21Å; F244-I280 HydrophobicContact CZ-CG1 4.4Å; F264-I280 WeakPolarHBondContact CA-O 3.35Å; L265-I280 HydrophobicContact CB-CB 4.24Å; L265-I280 HydrophobicContact CD2-CD1 4.01Å; L265-I280 HydrophobicContact CG-CD1 4.34Å; L265-I280 PolarHBondContact N-O 2.84Å; L265-I280 PolarHBondContact O-N 3.45Å; I267-I280 HydrophobicContact CD1-CD1 3.82Å; I267-I280 HydrophobicContact CG1-CD1 4.01Å; I280-G282 PolarHBondContact O-N 2.9Å; I280-P285 HydrophobicContact CG2-CB 4.16Å; I280-P289 HydrophobicContact CG1-CB 3.97Å
281	D	92.8	Very high	93.2	Very high	40 Å²	40	36 Å²	36	21%	0.214	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	121.7	170.7	-170.5	-52.3	0	0	0	109.2	R263 F264 L283 S284 P285	R263-D281 IonicContact CZ-OD1 3.43Å; R263-D281 IonicContact CZ-OD2 3.24Å; R263-D281 VanDerWaalsContact CZ-OD2 3.31Å; R263-D281 IonicContact NH1-OD1 3.77Å; R263-D281 PolarHBondContact NH1-OD1 2.96Å; R263-D281 IonicContact NH1-OD2 3.71Å; R263-D281 PolarHBondContact NH1-OD2 3.07Å; R263-D281 VanDerWaalsContact NH1-OD2 3.15Å; R263-D281 IonicContact NH2-OD1 2.75Å; R263-D281 IonicContact NH2-OD2 2.76Å; R263-D281 PolarHBondContact NH2-OD2 3.39Å; F264-D281 HydrophobicContact CE1-CB 4.41Å; D281-L283 PolarHBondContact O-N 3.29Å; D281-L283 WeakPolarHBondContact OD1-CA 3.23Å; D281-L283 WeakPolarHBondContact OD1-CB 3.18Å; D281-L283 PolarHBondContact OD1-N 3.43Å; D281-S284 CarbonylContact O-C 3.54Å; D281-S284 VanDerWaalsContact O-C 3.27Å; D281-S284 PolarHBondContact O-N 2.89Å; D281-S284 PolarHBondContact OD1-N 3.02Å; D281-S284 VanDerWaalsContact OD1-N 3.1Å; D281-P285 WeakPolarHBondContact O-CA 3.07Å; D281-P285 VanDerWaalsContact O-N 3.17Å
282	G	90.1	Very high	93.5	Very high	6 Å²	6	35.5 Å²	35.5	6%	0.062	19%	0.191	C	C	.	.	S	Bend	trans	-67.8	-17.7	-177.1	0	0	0	0	0	114.5	K209 R263 I280	K209-G282 CarbonylContact C-O 3.57Å; K209-G282 PolarHBondContact N-O 3.06Å; R263-G282 PolarHBondContact O-N 3.01Å; I280-G282 PolarHBondContact O-N 2.9Å
283	L	88.8	Confident	94	Very high	69 Å²	69	34.8 Å²	34.8	36%	0.361	19%	0.188	S	C	.	.	S	Bend	trans	-95.1	-25.4	173.2	-59.8	176.8	0	0	0	112.2	L43 K209 D210 E211 D281 P285	L43-L283 HydrophobicContact CD1-CD1 4.23Å; K209-L283 WeakPolarHBondContact O-CA 3.33Å; D210-L283 CarbonylContact C-O 3.46Å; D210-L283 VanDerWaalsContact CA-O 3.25Å; D210-L283 WeakPolarHBondContact CA-O 3.32Å; E211-L283 VanDerWaalsContact CG-O 3.27Å; E211-L283 WeakPolarHBondContact CG-O 3.42Å; E211-L283 PolarHBondContact N-O 3.2Å; D281-L283 PolarHBondContact O-N 3.29Å; D281-L283 WeakPolarHBondContact OD1-CA 3.23Å; D281-L283 WeakPolarHBondContact OD1-CB 3.18Å; D281-L283 PolarHBondContact OD1-N 3.43Å; L283-P285 VanDerWaalsContact O-CD 3.28Å; L283-P285 WeakPolarHBondContact O-CD 3.25Å
284	S	91.2	Very high	94.4	Very high	26 Å²	26	41.2 Å²	41.2	18%	0.182	22%	0.216	C	C	.	.			trans	-116.6	50.1	177.9	-38	0	0	0	0	112.5	D281 W286 D287	D281-S284 CarbonylContact O-C 3.54Å; D281-S284 VanDerWaalsContact O-C 3.27Å; D281-S284 PolarHBondContact O-N 2.89Å; D281-S284 PolarHBondContact OD1-N 3.02Å; D281-S284 VanDerWaalsContact OD1-N 3.1Å; S284-W286 PolarHBondContact O-N 2.87Å; S284-D287 WeakPolarHBondContact O-CB 3.35Å; S284-D287 PolarHBondContact O-N 3.04Å
285	P	91.7	Very high	94.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-4.9	-169.8	30.8	-39	0	0	0	115.1	V208 D210 V216 F218 R232 I280 D281 L283	V208-P285 HydrophobicContact CG2-CB 3.56Å; V208-P285 HydrophobicContact CG2-CG 4.02Å; D210-P285 HydrophobicContact CB-CG 3.7Å; V216-P285 HydrophobicContact CB-CG 4.5Å; V216-P285 HydrophobicContact CG2-CG 4.03Å; F218-P285 HydrophobicContact CE2-CB 3.83Å; F218-P285 HydrophobicContact CZ-CB 4.1Å; R232-P285 PolarHBondContact NH1-O 3.46Å; I280-P285 HydrophobicContact CG2-CB 4.16Å; D281-P285 WeakPolarHBondContact O-CA 3.07Å; D281-P285 VanDerWaalsContact O-N 3.17Å; L283-P285 VanDerWaalsContact O-CD 3.28Å; L283-P285 WeakPolarHBondContact O-CD 3.25Å
286	W	90.4	Very high	94.4	Very high	72 Å²	72	47.5 Å²	47.5	27%	0.273	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-23.9	173.9	-66.5	109	0	0	0	113.3	D210 V216 R232 T234 R240 S284	D210-W286 PolarHBondContact OD2-NE1 2.89Å; V216-W286 HydrophobicContact CG1-CH2 4.42Å; V216-W286 HydrophobicContact CG1-CZ2 4.2Å; V216-W286 HydrophobicContact CG2-CZ2 3.92Å; R232-W286 HydrophobicContact CG-CH2 4.49Å; R232-W286 HydrophobicContact CG-CZ3 4.15Å; R232-W286 VanDerWaalsContact CZ-CE3 3.43Å; R232-W286 VanDerWaalsContact NE-CZ3 3.35Å; R232-W286 VanDerWaalsContact NH1-CA 3.31Å; R232-W286 PolarHBondContact NH1-O 3.37Å; T234-W286 HydrophobicContact CG2-CH2 4.18Å; T234-W286 HydrophobicContact CG2-CZ2 3.75Å; R240-W286 HydrophobicContact CG-CH2 4.46Å; S284-W286 PolarHBondContact O-N 2.87Å
287	D	91.3	Very high	94.1	Very high	100 Å²	100	53.8 Å²	53.8	54%	0.535	27%	0.273	S	S	.	.	S	Bend	trans	-73.5	166.4	-174.7	-84.1	-14.3	0	0	0	114.4	S284	S284-D287 WeakPolarHBondContact O-CB 3.35Å; S284-D287 PolarHBondContact O-N 3.04Å
288	P	92	Very high	93.8	Very high	113 Å²	113	55.3 Å²	55.3	73%	0.734	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-65.1	137.6	175.6	-19.8	33.5	0	0	0	112.1
289	P	94.1	Very high	93.7	Very high	39 Å²	39	53 Å²	53	25%	0.253	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-75.5	145.6	-177.9	31.5	-33.6	0	0	0	111.9	F244 W278 L279 I280	F244-P289 HydrophobicContact CE1-CG 4.18Å; F244-P289 HydrophobicContact CZ-CB 4.41Å; F244-P289 HydrophobicContact CZ-CG 3.97Å; W278-P289 HydrophobicContact CB-CB 4.3Å; W278-P289 HydrophobicContact CE3-CB 4.18Å; W278-P289 HydrophobicContact CE3-CG 3.93Å; W278-P289 HydrophobicContact CZ3-CG 4.46Å; L279-P289 CarbonylContact O-C 3.03Å; L279-P289 WeakPolarHBondContact O-CA 3.44Å; L279-P289 WeakPolarHBondContact O-CB 3.41Å; I280-P289 HydrophobicContact CG1-CB 3.97Å
290	V	95.2	Very high	93.6	Very high	78 Å²	78	53.5 Å²	53.5	47%	0.473	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	118.5	179.2	-179.9	0	0	0	0	109.9	W278 L279 I292 P332	W278-V290 CarbonylContact C-O 3.43Å; W278-V290 WeakPolarHBondContact CA-O 3.48Å; L279-V290 HydrophobicContact CB-CB 4.48Å; L279-V290 PolarHBondContact N-O 3.25Å; L279-V290 PolarHBondContact O-N 3.08Å; V290-I292 PolarHBondContact O-N 2.85Å; V290-P332 HydrophobicContact CG1-CG 4.31Å
291	L	97	Very high	93.7	Very high	57 Å²	57	53.5 Å²	53.5	30%	0.298	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	123.4	171.6	175.3	58.8	0	0	0	110.3	E276 W278 K294	E276-L291 HydrophobicContact CG-CD1 3.68Å; W278-L291 HydrophobicContact CD2-CB 4Å; W278-L291 HydrophobicContact CD2-CD1 4.06Å; W278-L291 HydrophobicContact CE3-CB 3.76Å; W278-L291 HydrophobicContact CG-CD1 4.32Å; W278-L291 HydrophobicContact CH2-CB 3.99Å; W278-L291 HydrophobicContact CH2-CD2 4.32Å; W278-L291 HydrophobicContact CZ2-CB 4.2Å; W278-L291 HydrophobicContact CZ2-CD1 4.1Å; W278-L291 HydrophobicContact CZ2-CD2 4.16Å; W278-L291 HydrophobicContact CZ2-CG 4.39Å; W278-L291 HydrophobicContact CZ3-CB 3.77Å; L291-K294 HydrophobicContact CD2-CB 4.09Å
292	I	97.5	Very high	93.9	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.021	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	-61.1	173.4	-68.3	162.5	0	0	0	109.4	V277 L279 V290 Y301 V303 L310 I312 P332 A333 W337	V277-I292 HydrophobicContact CB-CD1 3.88Å; V277-I292 HydrophobicContact CG1-CD1 3.72Å; V277-I292 WeakPolarHBondContact O-CB 3.18Å; V277-I292 PolarHBondContact O-N 2.82Å; V277-I292 VanDerWaalsContact O-N 3.09Å; L279-I292 HydrophobicContact CD1-CD1 4.06Å; L279-I292 HydrophobicContact CD1-CG1 3.99Å; L279-I292 HydrophobicContact CD2-CD1 3.61Å; L279-I292 HydrophobicContact CD2-CG1 4.36Å; L279-I292 HydrophobicContact CG-CD1 3.59Å; L279-I292 HydrophobicContact CG-CG1 3.78Å; V290-I292 PolarHBondContact O-N 2.85Å; I292-Y301 HydrophobicContact CB-CE2 4.26Å; I292-Y301 HydrophobicContact CG2-CE2 3.8Å; I292-V303 HydrophobicContact CD1-CB 4.05Å; I292-V303 HydrophobicContact CD1-CG1 3.98Å; I292-V303 HydrophobicContact CD1-CG2 3.8Å; I292-L310 HydrophobicContact CG1-CD1 4.45Å; I292-I312 HydrophobicContact CG2-CD1 4.39Å; I292-P332 HydrophobicContact CB-CB 4.33Å; I292-P332 HydrophobicContact CG1-CB 4.21Å; I292-P332 HydrophobicContact CG2-CB 4.15Å; I292-P332 WeakPolarHBondContact CG2-O 3.25Å; I292-P332 CarbonylContact O-C 3.57Å; I292-A333 WeakPolarHBondContact O-CA 3.33Å; I292-W337 HydrophobicContact CG2-CZ2 4.07Å
293	Q	97.2	Very high	94.2	Very high	33 Å²	33	55.9 Å²	55.9	15%	0.154	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	124.3	-178.6	173.9	55.4	48	0	0	110.7	R295 Y301 I334 W337	Q293-R295 PolarHBondContact O-N 2.82Å; Q293-Y301 HydrophobicContact CB-CE1 4.23Å; Q293-Y301 PolarHBondContact N-OH 3.38Å; Q293-Y301 PolarHBondContact O-OH 3.48Å; Q293-I334 HydrophobicContact CG-CB 3.95Å; Q293-I334 HydrophobicContact CG-CD1 4.23Å; Q293-I334 HydrophobicContact CG-CG2 4.33Å; Q293-I334 VanDerWaalsContact OE1-N 3.16Å; Q293-W337 HydrophobicContact CB-CH2 4.33Å; Q293-W337 HydrophobicContact CB-CZ2 3.84Å; Q293-W337 HydrophobicContact CG-CH2 4.47Å; Q293-W337 HydrophobicContact CG-CZ2 4.33Å
294	K	96.3	Very high	94.6	Very high	143 Å²	143	53.1 Å²	53.1	62%	0.622	28%	0.275	S	S	*	.			trans	-58	137.1	172.7	-175.2	176.8	178.7	179.1	0	110.6	L291 I296	L291-K294 HydrophobicContact CD2-CB 4.09Å; K294-I296 PolarHBondContact O-N 2.9Å
295	R	95.4	Very high	94.8	Very high	58 Å²	58	52 Å²	52	22%	0.219	27%	0.267	C	S	.	.			trans	-48.4	135.3	-178.1	60.6	-163.1	80.3	-179	6.7	114	E247 T274 E276 Q293	E247-R295 IonicContact OE2-CZ 3.6Å; E247-R295 IonicContact OE2-NH1 3.77Å; E247-R295 PolarHBondContact OE2-NH1 2.85Å; E247-R295 IonicContact OE2-NH2 2.76Å; E247-R295 PolarHBondContact OE2-NH2 3.49Å; T274-R295 HydrophobicContact CG2-CB 3.86Å; E276-R295 HydrophobicContact CB-CB 4.13Å; E276-R295 VanDerWaalsContact CD-NE 3.32Å; E276-R295 IonicContact OE1-CZ 2.77Å; E276-R295 IonicContact OE1-NE 2.72Å; E276-R295 PolarHBondContact OE1-NE 3.02Å; E276-R295 IonicContact OE1-NH2 2.84Å; E276-R295 PolarHBondContact OE1-NH2 3.02Å; E276-R295 WeakPolarHBondContact OE2-CG 3.4Å; E276-R295 IonicContact OE2-CZ 2.7Å; E276-R295 PolarHBondContact OE2-N 2.65Å; E276-R295 IonicContact OE2-NE 3.25Å; E276-R295 PolarHBondContact OE2-NE 2.67Å; E276-R295 IonicContact OE2-NH2 3.8Å; Q293-R295 PolarHBondContact O-N 2.82Å
296	I	95.8	Very high	94.9	Very high	73 Å²	73	53.5 Å²	53.5	37%	0.374	27%	0.272	S	S	.	.			trans	-122.2	120.4	172.8	-56.5	175.4	0	0	0	106.3	T274 K294 G298 V299 I334	T274-I296 WeakPolarHBondContact CG2-O 3.36Å; K294-I296 PolarHBondContact O-N 2.9Å; I296-G298 PolarHBondContact O-N 2.71Å; I296-V299 HydrophobicContact CB-CB 4.12Å; I296-V299 HydrophobicContact CB-CG2 3.84Å; I296-V299 HydrophobicContact CG2-CG2 3.78Å; I296-V299 WeakPolarHBondContact O-CB 3.38Å; I296-V299 PolarHBondContact O-N 2.99Å; I296-I334 HydrophobicContact CD1-CD1 4.07Å
297	H	92.7	Very high	94.9	Very high	146 Å²	146	54.7 Å²	54.7	68%	0.676	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	129.2	-173.9	178.9	58.2	0	0	0	112.1	T274 V299 E605	T274-H297 WeakPolarHBondContact OG1-CA 3.47Å; T274-H297 PolarHBondContact OG1-ND1 2.66Å; H297-V299 VanDerWaalsContact C-N 3.32Å; H297-E605 IonicContact CE1-OE1 2.69Å
298	G	91	Very high	95	Very high	31 Å²	31	55.5 Å²	55.5	32%	0.32	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-3	-175.6	0	0	0	0	0	115	T273 T274 I296 N315	T273-G298 CarbonylContact O-C 3.45Å; T273-G298 WeakPolarHBondContact O-CA 3.32Å; T273-G298 PolarHBondContact O-N 2.86Å; T274-G298 PolarHBondContact OG1-N 2.95Å; T274-G298 VanDerWaalsContact OG1-N 3.07Å; I296-G298 PolarHBondContact O-N 2.71Å; G298-N315 PolarHBondContact O-ND2 2.98Å
299	V	95.2	Very high	95.2	Very high	17 Å²	17	53.2 Å²	53.2	10%	0.103	27%	0.268	C	S	.	.			trans	-97.8	111.9	172.7	-176.4	0	0	0	0	110.1	T273 T274 S275 I296 H297 N315 V316	T273-V299 CarbonylContact O-C 3.27Å; T273-V299 PolarHBondContact O-N 3.45Å; T274-V299 WeakPolarHBondContact CA-O 3.37Å; S275-V299 PolarHBondContact N-O 2.81Å; I296-V299 HydrophobicContact CB-CB 4.12Å; I296-V299 HydrophobicContact CB-CG2 3.84Å; I296-V299 HydrophobicContact CG2-CG2 3.78Å; I296-V299 WeakPolarHBondContact O-CB 3.38Å; I296-V299 PolarHBondContact O-N 2.99Å; H297-V299 VanDerWaalsContact C-N 3.32Å; V299-N315 VanDerWaalsContact CA-OD1 3.32Å; V299-N315 WeakPolarHBondContact CA-OD1 3.15Å; V299-V316 HydrophobicContact CG1-CB 3.97Å; V299-V316 HydrophobicContact CG1-CG2 4.45Å; V299-V316 HydrophobicContact CG2-CG2 4.32Å
300	L	94.8	Very high	95.3	Very high	16 Å²	16	51.3 Å²	51.3	8%	0.084	26%	0.256	C	S	.	.			trans	-90.2	137	162.1	-68.2	172.9	0	0	0	109	Y302 T314 N315 F322	L300-Y302 HydrophobicContact CB-CE2 4.39Å; L300-T314 VanDerWaalsContact O-CA 3.24Å; L300-T314 WeakPolarHBondContact O-CA 3.49Å; L300-T314 WeakPolarHBondContact O-CB 3.49Å; L300-T314 PolarHBondContact O-OG1 2.87Å; L300-N315 PolarHBondContact N-OD1 2.83Å; L300-N315 PolarHBondContact O-N 2.81Å; L300-N315 PolarHBondContact O-OD1 3.32Å; L300-N315 VanDerWaalsContact O-OD1 3.12Å; L300-F322 HydrophobicContact CB-CE1 4.23Å; L300-F322 HydrophobicContact CB-CZ 4.34Å; L300-F322 HydrophobicContact CD1-CZ 4.22Å
301	Y	97.1	Very high	95.4	Very high	3 Å²	3	48 Å²	48	1%	0.012	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	144.9	165.7	75.6	-83.2	0	0	0	111.6	S275 V277 I292 Q293 V303 I312 L313 W337	S275-Y301 WeakPolarHBondContact O-CE1 3.29Å; S275-Y301 VanDerWaalsContact OG-CD1 3.26Å; S275-Y301 WeakPolarHBondContact OG-CD1 3.49Å; S275-Y301 PolarHBondContact OG-N 3.34Å; S275-Y301 PolarHBondContact OG-O 3.46Å; V277-Y301 HydrophobicContact CB-CE2 3.74Å; V277-Y301 HydrophobicContact CG2-CD2 4.06Å; V277-Y301 HydrophobicContact CG2-CE2 3.56Å; V277-Y301 PolarHBondContact N-OH 2.95Å; I292-Y301 HydrophobicContact CB-CE2 4.26Å; I292-Y301 HydrophobicContact CG2-CE2 3.8Å; Q293-Y301 HydrophobicContact CB-CE1 4.23Å; Q293-Y301 PolarHBondContact N-OH 3.38Å; Q293-Y301 PolarHBondContact O-OH 3.48Å; Y301-V303 HydrophobicContact CD2-CG2 3.64Å; Y301-V303 HydrophobicContact CE2-CG2 3.83Å; Y301-I312 HydrophobicContact CD2-CG2 4.08Å; Y301-I312 HydrophobicContact CG-CG2 4.49Å; Y301-L313 CarbonylContact C-O 3.44Å; Y301-L313 VanDerWaalsContact CA-O 3.25Å; Y301-L313 WeakPolarHBondContact CA-O 3.47Å; Y301-W337 HydrophobicContact CD1-CH2 4.08Å; Y301-W337 AromaticContact CD2-CH2 3.78Å; Y301-W337 HydrophobicContact CD2-CH2 3.78Å; Y301-W337 HydrophobicContact CD2-CZ2 4.2Å; Y301-W337 HydrophobicContact CE2-CH2 4.24Å; Y301-W337 HydrophobicContact CE2-CZ2 4.32Å; Y301-W337 AromaticContact CG-CH2 3.7Å; Y301-W337 HydrophobicContact CG-CH2 3.7Å; Y301-W337 HydrophobicContact CG-CZ3 4.45Å
302	Y	96.8	Very high	95.5	Very high	89 Å²	89	45.2 Å²	45.2	35%	0.349	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.7	176.1	-52	-96.1	0	0	0	107.7	M270 L300 I312 L313 F322	M270-Y302 HydrophobicContact CE-CD1 3.95Å; M270-Y302 HydrophobicContact CE-CE1 3.47Å; M270-Y302 VanDerWaalsContact CE-CE1 3.47Å; M270-Y302 HydrophobicContact SD-CE1 3.96Å; L300-Y302 HydrophobicContact CB-CE2 4.39Å; Y302-I312 CarbonylContact O-C 3.59Å; Y302-I312 WeakPolarHBondContact O-CA 3.33Å; Y302-L313 HydrophobicContact CD2-CD2 4.45Å; Y302-L313 PolarHBondContact N-O 3.49Å; Y302-L313 PolarHBondContact O-N 3.14Å; Y302-F322 HydrophobicContact CD2-CE1 4.35Å; Y302-F322 AromaticContact CE2-CE1 3.94Å; Y302-F322 HydrophobicContact CE2-CE1 3.94Å; Y302-F322 AromaticContact CE2-CZ 3.97Å; Y302-F322 HydrophobicContact CE2-CZ 3.97Å
303	V	97.2	Very high	95.5	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.042	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	130.1	-171.2	-174.9	0	0	0	0	112.3	I292 Y301 L310 Y311 I312	I292-V303 HydrophobicContact CD1-CB 4.05Å; I292-V303 HydrophobicContact CD1-CG1 3.98Å; I292-V303 HydrophobicContact CD1-CG2 3.8Å; Y301-V303 HydrophobicContact CD2-CG2 3.64Å; Y301-V303 HydrophobicContact CE2-CG2 3.83Å; V303-L310 HydrophobicContact CG1-CB 4.05Å; V303-L310 HydrophobicContact CG1-CD2 3.88Å; V303-L310 HydrophobicContact CG1-CG 4.37Å; V303-Y311 WeakPolarHBondContact CA-O 3.4Å; V303-I312 HydrophobicContact CG1-CG1 4.19Å; V303-I312 HydrophobicContact CG2-CD1 4.4Å; V303-I312 HydrophobicContact CG2-CG1 4Å; V303-I312 HydrophobicContact CG2-CG2 4.26Å
304	E	96.6	Very high	95.5	Very high	10 Å²	10	44.2 Å²	44.2	5%	0.047	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	164.2	166.2	-90.5	-81.1	-129.9	0	0	110.8	Y257 T259 K260 L310 Y311 L352 M354	Y257-E304 PolarHBondContact OH-OE1 2.94Å; T259-E304 VanDerWaalsContact CA-OE2 3.29Å; T259-E304 WeakPolarHBondContact CA-OE2 3.47Å; T259-E304 WeakPolarHBondContact CB-OE2 3.43Å; K260-E304 VanDerWaalsContact CB-OE1 3.24Å; K260-E304 WeakPolarHBondContact CB-OE1 3.49Å; K260-E304 WeakPolarHBondContact CG-OE1 3.46Å; K260-E304 PolarHBondContact N-OE1 2.96Å; K260-E304 PolarHBondContact N-OE2 3.12Å; E304-L310 CarbonylContact O-C 3.54Å; E304-L310 WeakPolarHBondContact O-CA 3.38Å; E304-Y311 PolarHBondContact N-O 2.93Å; E304-Y311 PolarHBondContact O-N 3.48Å; E304-L352 HydrophobicContact CG-CD2 4.48Å; E304-M354 HydrophobicContact CB-CE 4.08Å; E304-M354 HydrophobicContact CG-CB 4.19Å; E304-M354 VanDerWaalsContact OE1-CB 3.25Å; E304-M354 WeakPolarHBondContact OE1-CB 3.17Å
305	H	95.7	Very high	95.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	143.2	176.2	177.6	-98.4	0	0	0	111.7	T259 D261 R263 F264 D308 E309 L310	T259-H305 HydrophobicContact CG2-CB 3.88Å; D261-H305 IonicContact OD1-CG 3.65Å; D261-H305 IonicContact OD1-ND1 2.82Å; D261-H305 PolarHBondContact OD1-ND1 3.07Å; D261-H305 IonicContact OD2-CE1 2.68Å; D261-H305 PolarHBondContact OD2-CE1 3.11Å; D261-H305 VanDerWaalsContact OD2-CE1 3.28Å; D261-H305 IonicContact OD2-CG 3.79Å; D261-H305 IonicContact OD2-ND1 2.83Å; D261-H305 PolarHBondContact OD2-ND1 2.85Å; R263-H305 WeakPolarHBondContact CB-ND1 3.37Å; F264-H305 HydrophobicContact CD2-CB 3.92Å; F264-H305 AromaticContact CD2-CD2 3.9Å; F264-H305 AromaticContact CD2-CG 3.59Å; F264-H305 AromaticContact CD2-ND1 3.89Å; F264-H305 HydrophobicContact CE2-CB 4.5Å; F264-H305 AromaticContact CE2-CD2 3.58Å; F264-H305 AromaticContact CE2-CE1 3.89Å; F264-H305 AromaticContact CE2-CG 3.73Å; F264-H305 AromaticContact CE2-ND1 3.91Å; F264-H305 AromaticContact CE2-NE2 3.68Å; H305-D308 VanDerWaalsContact NE2-CA 3.3Å; H305-D308 WeakPolarHBondContact NE2-CA 3.35Å; H305-D308 PolarHBondContact NE2-N 3.2Å; H305-E309 WeakPolarHBondContact CA-O 3.41Å; H305-E309 PolarHBondContact CD2-O 3.17Å; H305-L310 HydrophobicContact CB-CD2 4.08Å
306	R	93.9	Very high	95.3	Very high	32 Å²	32	37 Å²	37	12%	0.121	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	118.5	175.3	-170	74.4	-127.3	146.6	17.6	110.2	D261 D308 E309 Y311 K356 L376	D261-R306 VanDerWaalsContact CB-NH1 3.28Å; R306-D308 PolarHBondContact O-N 3.38Å; R306-E309 PolarHBondContact N-O 3.39Å; R306-E309 PolarHBondContact O-N 3.26Å; R306-Y311 HydrophobicContact CB-CD2 4.04Å; R306-Y311 HydrophobicContact CB-CE2 3.94Å; R306-K356 WeakPolarHBondContact CD-O 3.43Å; R306-K356 PolarHBondContact NE-O 2.98Å; R306-L376 HydrophobicContact CB-CD1 4.43Å; R306-L376 HydrophobicContact CG-CD1 3.7Å
307	D	90.5	Very high	94.9	Very high	97 Å²	97	35.6 Å²	35.6	52%	0.519	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	51.1	167.5	-56.6	-47.8	0	0	0	114	E309	D307-E309 VanDerWaalsContact C-N 3.31Å; D307-E309 PolarHBondContact O-N 3.48Å
308	D	92.9	Very high	94.2	Very high	118 Å²	118	36.4 Å²	36.4	63%	0.631	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.2	3.6	-178.4	-57.7	-39.7	0	0	0	116.4	H305 R306 A329	H305-D308 VanDerWaalsContact NE2-CA 3.3Å; H305-D308 WeakPolarHBondContact NE2-CA 3.35Å; H305-D308 PolarHBondContact NE2-N 3.2Å; R306-D308 PolarHBondContact O-N 3.38Å; D308-A329 WeakPolarHBondContact O-CB 3.49Å; D308-A329 PolarHBondContact O-N 3.11Å
309	E	95.8	Very high	93.6	Very high	64 Å²	64	39 Å²	39	30%	0.299	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	144.8	168.3	-68.4	-166.8	132	0	0	113	H305 R306 D307 Y311 R326	H305-E309 WeakPolarHBondContact CA-O 3.41Å; H305-E309 PolarHBondContact CD2-O 3.17Å; R306-E309 PolarHBondContact N-O 3.39Å; R306-E309 PolarHBondContact O-N 3.26Å; D307-E309 VanDerWaalsContact C-N 3.31Å; D307-E309 PolarHBondContact O-N 3.48Å; E309-Y311 HydrophobicContact CB-CD2 4.31Å; E309-Y311 HydrophobicContact CB-CE2 3.69Å; E309-Y311 PolarHBondContact OE2-OH 3.27Å; E309-R326 WeakPolarHBondContact OE1-CD 3.22Å
310	L	97.6	Very high	92.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.4	168.4	-62.4	173.1	0	0	0	110.3	L279 I292 V303 E304 H305 I312 R326 T327 A329 P332	L279-L310 HydrophobicContact CD1-CD1 3.96Å; L279-L310 HydrophobicContact CD1-CD2 3.9Å; I292-L310 HydrophobicContact CG1-CD1 4.45Å; V303-L310 HydrophobicContact CG1-CB 4.05Å; V303-L310 HydrophobicContact CG1-CD2 3.88Å; V303-L310 HydrophobicContact CG1-CG 4.37Å; E304-L310 CarbonylContact O-C 3.54Å; E304-L310 WeakPolarHBondContact O-CA 3.38Å; H305-L310 HydrophobicContact CB-CD2 4.08Å; L310-I312 HydrophobicContact CB-CD1 4.32Å; L310-I312 HydrophobicContact CB-CG1 4.25Å; L310-R326 VanDerWaalsContact O-CA 3.3Å; L310-R326 WeakPolarHBondContact O-CA 3.24Å; L310-T327 HydrophobicContact CB-CG2 4.02Å; L310-T327 HydrophobicContact CD1-CG2 4.38Å; L310-T327 PolarHBondContact N-O 3.39Å; L310-T327 PolarHBondContact O-N 3.23Å; L310-T327 VanDerWaalsContact O-N 3.16Å; L310-A329 HydrophobicContact CD1-CB 4.36Å; L310-A329 HydrophobicContact CD2-CB 4.3Å; L310-A329 HydrophobicContact CG-CB 3.95Å; L310-P332 HydrophobicContact CD1-CB 3.62Å
311	Y	97.6	Very high	92.6	Very high	7 Å²	7	40.3 Å²	40.3	3%	0.027	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	114.1	178.3	-77.6	-96	0	0	0	109.4	V303 E304 R306 E309 R326 F340 M354 L376	V303-Y311 WeakPolarHBondContact CA-O 3.4Å; E304-Y311 PolarHBondContact N-O 2.93Å; E304-Y311 PolarHBondContact O-N 3.48Å; R306-Y311 HydrophobicContact CB-CD2 4.04Å; R306-Y311 HydrophobicContact CB-CE2 3.94Å; E309-Y311 HydrophobicContact CB-CD2 4.31Å; E309-Y311 HydrophobicContact CB-CE2 3.69Å; E309-Y311 PolarHBondContact OE2-OH 3.27Å; Y311-R326 HydrophobicContact CE1-CB 4.35Å; Y311-F340 HydrophobicContact CD1-CD1 4.24Å; Y311-F340 HydrophobicContact CD1-CE1 4.18Å; Y311-F340 HydrophobicContact CE1-CD1 4.03Å; Y311-F340 HydrophobicContact CE1-CD2 4.43Å; Y311-F340 AromaticContact CE1-CE1 3.78Å; Y311-F340 HydrophobicContact CE1-CE1 3.78Å; Y311-F340 HydrophobicContact CE1-CE2 4.2Å; Y311-F340 HydrophobicContact CE1-CG 4.34Å; Y311-F340 AromaticContact CE1-CZ 3.87Å; Y311-F340 HydrophobicContact CE1-CZ 3.87Å; Y311-M354 VanDerWaalsContact CB-CE 3.49Å; Y311-M354 HydrophobicContact CD1-CE 3.96Å; Y311-M354 HydrophobicContact CD2-CE 4.15Å; Y311-M354 HydrophobicContact CG-CE 3.58Å; Y311-L376 HydrophobicContact CD1-CD2 4.46Å; Y311-L376 HydrophobicContact CE1-CD2 3.77Å
312	I	97.8	Very high	92.4	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	105.6	-162.9	-55.4	-176	0	0	0	110.4	I292 Y301 Y302 V303 L310 T314 M325 T327 W337	I292-I312 HydrophobicContact CG2-CD1 4.39Å; Y301-I312 HydrophobicContact CD2-CG2 4.08Å; Y301-I312 HydrophobicContact CG-CG2 4.49Å; Y302-I312 CarbonylContact O-C 3.59Å; Y302-I312 WeakPolarHBondContact O-CA 3.33Å; V303-I312 HydrophobicContact CG1-CG1 4.19Å; V303-I312 HydrophobicContact CG2-CD1 4.4Å; V303-I312 HydrophobicContact CG2-CG1 4Å; V303-I312 HydrophobicContact CG2-CG2 4.26Å; L310-I312 HydrophobicContact CB-CD1 4.32Å; L310-I312 HydrophobicContact CB-CG1 4.25Å; I312-T314 HydrophobicContact CG2-CG2 4.26Å; I312-T314 PolarHBondContact O-N 3.15Å; I312-M325 PolarHBondContact N-O 2.99Å; I312-M325 PolarHBondContact O-N 3.33Å; I312-T327 HydrophobicContact CD1-CG2 3.76Å; I312-W337 HydrophobicContact CD1-CD2 3.9Å; I312-W337 VanDerWaalsContact CD1-CE2 3.42Å; I312-W337 HydrophobicContact CD1-CG 4.2Å; I312-W337 HydrophobicContact CD1-CZ2 3.83Å; I312-W337 HydrophobicContact CG2-CD2 4.24Å; I312-W337 HydrophobicContact CG2-CE3 3.94Å; I312-W337 HydrophobicContact CG2-CH2 3.81Å; I312-W337 HydrophobicContact CG2-CZ2 4.08Å; I312-W337 HydrophobicContact CG2-CZ3 3.73Å
313	L	97.4	Very high	92.3	Very high	16 Å²	16	38.9 Å²	38.9	8%	0.084	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	110.3	174.2	179.1	67.2	0	0	0	108.9	Y301 Y302 F322 K323 L324 M343 V349 L352	Y301-L313 CarbonylContact C-O 3.44Å; Y301-L313 VanDerWaalsContact CA-O 3.25Å; Y301-L313 WeakPolarHBondContact CA-O 3.47Å; Y302-L313 HydrophobicContact CD2-CD2 4.45Å; Y302-L313 PolarHBondContact N-O 3.49Å; Y302-L313 PolarHBondContact O-N 3.14Å; L313-F322 HydrophobicContact CD1-CB 4.12Å; L313-F322 HydrophobicContact CD1-CD1 4.28Å; L313-F322 HydrophobicContact CD1-CG 4.44Å; L313-F322 HydrophobicContact CG-CD1 4.05Å; L313-K323 WeakPolarHBondContact CA-O 3.19Å; L313-L324 HydrophobicContact CB-CD1 4.3Å; L313-M343 HydrophobicContact CD1-CE 4.35Å; L313-V349 HydrophobicContact CD1-CG2 4.41Å; L313-V349 HydrophobicContact CD2-CG1 4.12Å; L313-L352 HydrophobicContact CB-CD1 3.93Å; L313-L352 HydrophobicContact CD1-CD1 4.38Å; L313-L352 HydrophobicContact CD2-CB 4.34Å; L313-L352 HydrophobicContact CD2-CD1 4.1Å; L313-L352 HydrophobicContact CG-CD1 4.36Å
314	T	96.7	Very high	92.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.7	-171.1	-179.3	0	0	0	0	113.5	L300 I312 V316 F322 K323 M325 W337	L300-T314 VanDerWaalsContact O-CA 3.24Å; L300-T314 WeakPolarHBondContact O-CA 3.49Å; L300-T314 WeakPolarHBondContact O-CB 3.49Å; L300-T314 PolarHBondContact O-OG1 2.87Å; I312-T314 HydrophobicContact CG2-CG2 4.26Å; I312-T314 PolarHBondContact O-N 3.15Å; T314-V316 HydrophobicContact CG2-CG1 3.77Å; T314-V316 PolarHBondContact OG1-N 2.95Å; T314-F322 CarbonylContact O-C 3.55Å; T314-F322 WeakPolarHBondContact O-CA 3.35Å; T314-K323 HydrophobicContact CG2-CG 4.47Å; T314-K323 PolarHBondContact N-O 2.97Å; T314-K323 WeakPolarHBondContact O-CG 3.46Å; T314-K323 PolarHBondContact O-N 3.13Å; T314-M325 HydrophobicContact CG2-CG 3.94Å; T314-M325 HydrophobicContact CG2-SD 3.68Å; T314-W337 HydrophobicContact CG2-CE3 3.98Å; T314-W337 HydrophobicContact CG2-CZ3 3.85Å
315	N	94.6	Very high	92.2	Very high	16 Å²	16	39 Å²	39	9%	0.086	21%	0.212	C	C	.	.			trans	-101.1	12.2	172.5	75.8	-29	0	0	0	114	G298 V299 L300 G317 F322 L517	G298-N315 PolarHBondContact O-ND2 2.98Å; V299-N315 VanDerWaalsContact CA-OD1 3.32Å; V299-N315 WeakPolarHBondContact CA-OD1 3.15Å; L300-N315 PolarHBondContact N-OD1 2.83Å; L300-N315 PolarHBondContact O-N 2.81Å; L300-N315 PolarHBondContact O-OD1 3.32Å; L300-N315 VanDerWaalsContact O-OD1 3.12Å; N315-G317 PolarHBondContact O-N 2.58Å; N315-F322 HydrophobicContact CB-CD1 4.31Å; N315-F322 HydrophobicContact CB-CE1 4.4Å; N315-L517 HydrophobicContact CB-CD1 3.51Å
316	V	94	Very high	92.2	Very high	33 Å²	33	41.5 Å²	41.5	20%	0.2	22%	0.221	C	C	.	.			trans	-57.8	129.2	-170.7	63.1	0	0	0	0	113.9	V299 T314 K323 M325 I334 W337	V299-V316 HydrophobicContact CG1-CB 3.97Å; V299-V316 HydrophobicContact CG1-CG2 4.45Å; V299-V316 HydrophobicContact CG2-CG2 4.32Å; T314-V316 HydrophobicContact CG2-CG1 3.77Å; T314-V316 PolarHBondContact OG1-N 2.95Å; V316-K323 WeakPolarHBondContact O-CE 3.16Å; V316-K323 PolarHBondContact O-NZ 3.41Å; V316-M325 HydrophobicContact CG1-SD 3.96Å; V316-I334 HydrophobicContact CB-CD1 4.28Å; V316-I334 HydrophobicContact CG1-CD1 4.48Å; V316-I334 HydrophobicContact CG2-CD1 3.79Å; V316-W337 HydrophobicContact CG1-CE3 4.35Å; V316-W337 HydrophobicContact CG1-CZ3 4.38Å
317	G	86.6	Confident	92.4	Very high	43 Å²	43	40.4 Å²	40.4	44%	0.443	22%	0.218	S	C	.	.	S	Bend	trans	79	-157.5	174.9	0	0	0	0	0	113.8	N315 P319 T320	N315-G317 PolarHBondContact O-N 2.58Å; G317-P319 CarbonylContact O-C 3.51Å; G317-T320 WeakPolarHBondContact O-CA 3.31Å; G317-T320 WeakPolarHBondContact O-CG2 3.21Å; G317-T320 PolarHBondContact O-N 2.97Å
318	E	79.4	Confident	92.7	Very high	163 Å²	163	37.7 Å²	37.7	76%	0.762	21%	0.21	S	C	*	.	S	Bend	trans	-112.1	138.3	-171.8	-72.6	-67.5	167.2	0	0	112.6
319	P	77.8	Confident	92.8	Very high	85 Å²	85	33.1 Å²	33.1	55%	0.552	19%	0.188	S	C	*	.	S	Bend	cis	-66.4	149.3	-12	31.2	-35.5	0	0	0	111.4	G317 E321	G317-P319 CarbonylContact O-C 3.51Å; P319-E321 PolarHBondContact O-N 3.33Å
320	T	80.7	Confident	92.7	Very high	48 Å²	48	36.3 Å²	36.3	29%	0.294	21%	0.207	S	C	.	.			trans	-71.5	25.3	-179.4	52.7	0	0	0	0	114.9	G317 L517	G317-T320 WeakPolarHBondContact O-CA 3.31Å; G317-T320 WeakPolarHBondContact O-CG2 3.21Å; G317-T320 PolarHBondContact O-N 2.97Å; T320-L517 VanDerWaalsContact O-CD1 3.24Å; T320-L517 WeakPolarHBondContact O-CD1 3.43Å
321	E	87.9	Confident	92.6	Very high	14 Å²	14	39.2 Å²	39.2	7%	0.065	23%	0.225	C	C	.	.	S	Bend	trans	-89	158.5	171	-64.6	-62.6	163.7	0	0	110.1	P319 G516 L517 Q518	P319-E321 PolarHBondContact O-N 3.33Å; E321-G516 WeakPolarHBondContact OE2-CA 3.14Å; E321-L517 PolarHBondContact OE1-N 3.34Å; E321-L517 PolarHBondContact OE2-N 3.24Å; E321-Q518 WeakPolarHBondContact OE1-CB 3.43Å; E321-Q518 PolarHBondContact OE1-N 2.76Å
322	F	93.2	Very high	92.5	Very high	29 Å²	29	39.5 Å²	39.5	13%	0.127	23%	0.228	C	C	.	.			trans	-61.8	150.1	178.4	-78.7	-67.9	0	0	0	113.1	L300 Y302 L313 T314 N315 M343 V349 L517	L300-F322 HydrophobicContact CB-CE1 4.23Å; L300-F322 HydrophobicContact CB-CZ 4.34Å; L300-F322 HydrophobicContact CD1-CZ 4.22Å; Y302-F322 HydrophobicContact CD2-CE1 4.35Å; Y302-F322 AromaticContact CE2-CE1 3.94Å; Y302-F322 HydrophobicContact CE2-CE1 3.94Å; Y302-F322 AromaticContact CE2-CZ 3.97Å; Y302-F322 HydrophobicContact CE2-CZ 3.97Å; L313-F322 HydrophobicContact CD1-CB 4.12Å; L313-F322 HydrophobicContact CD1-CD1 4.28Å; L313-F322 HydrophobicContact CD1-CG 4.44Å; L313-F322 HydrophobicContact CG-CD1 4.05Å; T314-F322 CarbonylContact O-C 3.55Å; T314-F322 WeakPolarHBondContact O-CA 3.35Å; N315-F322 HydrophobicContact CB-CD1 4.31Å; N315-F322 HydrophobicContact CB-CE1 4.4Å; F322-M343 WeakPolarHBondContact O-CB 3.35Å; F322-M343 WeakPolarHBondContact O-CG 3.34Å; F322-V349 HydrophobicContact CB-CG2 3.79Å; F322-V349 HydrophobicContact CD2-CG2 4.42Å; F322-V349 HydrophobicContact CG-CG2 4.39Å; F322-L517 HydrophobicContact CD2-CD1 3.74Å; F322-L517 HydrophobicContact CD2-CG 4.07Å; F322-L517 HydrophobicContact CE2-CD1 3.66Å; F322-L517 HydrophobicContact CE2-CD2 3.89Å; F322-L517 HydrophobicContact CE2-CG 3.93Å; F322-L517 HydrophobicContact CG-CD1 4.21Å; F322-L517 HydrophobicContact CZ-CD1 4.06Å; F322-L517 HydrophobicContact CZ-CD2 4.48Å
323	K	93.8	Very high	92.3	Very high	33 Å²	33	41.1 Å²	41.1	14%	0.143	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	154.8	172.4	53	-174.8	168.7	-163.8	0	109	L313 T314 V316 M325 L339 F341	L313-K323 WeakPolarHBondContact CA-O 3.19Å; T314-K323 HydrophobicContact CG2-CG 4.47Å; T314-K323 PolarHBondContact N-O 2.97Å; T314-K323 WeakPolarHBondContact O-CG 3.46Å; T314-K323 PolarHBondContact O-N 3.13Å; V316-K323 WeakPolarHBondContact O-CE 3.16Å; V316-K323 PolarHBondContact O-NZ 3.41Å; K323-M325 HydrophobicContact CD-CG 4.5Å; K323-M325 HydrophobicContact CD-SD 4.18Å; K323-M325 HydrophobicContact CG-CG 4.27Å; K323-M325 HydrophobicContact CG-SD 4.38Å; K323-L339 HydrophobicContact CB-CD1 4.17Å; K323-L339 HydrophobicContact CD-CD1 4.03Å; K323-F341 WeakPolarHBondContact CB-O 3.33Å
324	L	96.2	Very high	92.3	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	130	174.5	-170.8	56.3	0	0	0	108.6	L313 F340 F341 L352 C359	L313-L324 HydrophobicContact CB-CD1 4.3Å; L324-F340 HydrophobicContact CB-CD1 4.38Å; L324-F340 HydrophobicContact CD2-CD1 3.67Å; L324-F340 HydrophobicContact CD2-CE1 3.9Å; L324-F340 HydrophobicContact CG-CD1 3.83Å; L324-F340 PolarHBondContact O-N 2.67Å; L324-F340 VanDerWaalsContact O-N 3.08Å; L324-F341 HydrophobicContact CB-CB 4.24Å; L324-F341 PolarHBondContact N-O 2.99Å; L324-F341 PolarHBondContact O-N 2.77Å; L324-F341 VanDerWaalsContact O-O 3.13Å; L324-L352 HydrophobicContact CD1-CD1 3.84Å; L324-L352 HydrophobicContact CD2-CD1 4.3Å; L324-C359 HydrophobicContact CD2-CB 4.4Å
325	M	96.4	Very high	92.2	Very high	18 Å²	18	50.4 Å²	50.4	9%	0.089	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	158.6	-179.5	-56.5	-166.7	72.9	0	0	109.1	I312 T314 V316 K323 W337 D338	I312-M325 PolarHBondContact N-O 2.99Å; I312-M325 PolarHBondContact O-N 3.33Å; T314-M325 HydrophobicContact CG2-CG 3.94Å; T314-M325 HydrophobicContact CG2-SD 3.68Å; V316-M325 HydrophobicContact CG1-SD 3.96Å; K323-M325 HydrophobicContact CD-CG 4.5Å; K323-M325 HydrophobicContact CD-SD 4.18Å; K323-M325 HydrophobicContact CG-CG 4.27Å; K323-M325 HydrophobicContact CG-SD 4.38Å; M325-W337 HydrophobicContact CB-CB 4.22Å; M325-W337 HydrophobicContact CE-CB 3.88Å; M325-W337 WeakPolarHBondContact CE-O 3.45Å; M325-W337 HydrophobicContact SD-CB 4.29Å; M325-W337 HydrophobicContact SD-CE3 4.29Å; M325-D338 CarbonylContact C-O 3.55Å; M325-D338 WeakPolarHBondContact CA-O 3.23Å; M325-D338 VanDerWaalsContact CB-O 3.27Å; M325-D338 WeakPolarHBondContact CB-O 3.21Å
326	R	96.4	Very high	92.3	Very high	55 Å²	55	52.4 Å²	52.4	21%	0.208	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153	173.6	68.4	180	169.2	-151.9	-14.6	112.1	E309 L310 Y311 D338 F340 D379	E309-R326 WeakPolarHBondContact OE1-CD 3.22Å; L310-R326 VanDerWaalsContact O-CA 3.3Å; L310-R326 WeakPolarHBondContact O-CA 3.24Å; Y311-R326 HydrophobicContact CE1-CB 4.35Å; R326-D338 PolarHBondContact N-O 3.07Å; R326-D338 PolarHBondContact O-N 3.3Å; R326-F340 HydrophobicContact CB-CB 4.47Å; R326-F340 HydrophobicContact CG-CB 4.27Å; R326-F340 VanDerWaalsContact NH1-CE2 3.32Å; R326-D379 IonicContact CZ-OD1 2.71Å; R326-D379 IonicContact CZ-OD2 2.69Å; R326-D379 IonicContact NH1-OD1 3.15Å; R326-D379 PolarHBondContact NH1-OD1 3.12Å; R326-D379 IonicContact NH1-OD2 3.61Å; R326-D379 IonicContact NH2-OD1 2.75Å; R326-D379 PolarHBondContact NH2-OD1 2.82Å; R326-D379 VanDerWaalsContact NH2-OD1 3.16Å; R326-D379 IonicContact NH2-OD2 3.6Å; R326-D379 PolarHBondContact NH2-OD2 2.61Å
327	T	97.6	Very high	92.5	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	154.9	173.5	-176.8	0	0	0	0	108.7	L310 I312 T331 N336	L310-T327 HydrophobicContact CB-CG2 4.02Å; L310-T327 HydrophobicContact CD1-CG2 4.38Å; L310-T327 PolarHBondContact N-O 3.39Å; L310-T327 PolarHBondContact O-N 3.23Å; L310-T327 VanDerWaalsContact O-N 3.16Å; I312-T327 HydrophobicContact CD1-CG2 3.76Å; T327-T331 PolarHBondContact OG1-O 3.31Å; T327-N336 PolarHBondContact OG1-O 2.91Å
328	A	97	Very high	92.9	Very high	41 Å²	41	55.1 Å²	55.1	34%	0.339	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	145.7	170.3	0	0	0	0	0	110.7	D330 T331	A328-D330 VanDerWaalsContact C-N 3.26Å; A328-D330 WeakPolarHBondContact CB-OD1 3.35Å; A328-D330 PolarHBondContact O-N 3.12Å; A328-T331 CarbonylContact O-C 3.54Å; A328-T331 PolarHBondContact O-N 2.93Å
329	A	94.4	Very high	93.7	Very high	21 Å²	21	52.2 Å²	52.2	17%	0.174	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-21.7	-175	0	0	0	0	0	113.9	D308 L310 T331	D308-A329 WeakPolarHBondContact O-CB 3.49Å; D308-A329 PolarHBondContact O-N 3.11Å; L310-A329 HydrophobicContact CD1-CB 4.36Å; L310-A329 HydrophobicContact CD2-CB 4.3Å; L310-A329 HydrophobicContact CG-CB 3.95Å; A329-T331 VanDerWaalsContact C-N 3.3Å
330	D	93.8	Very high	94.5	Very high	131 Å²	131	49.2 Å²	49.2	70%	0.701	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-17.2	176.5	72.9	-19.3	0	0	0	113.6	A328 P332	A328-D330 VanDerWaalsContact C-N 3.26Å; A328-D330 WeakPolarHBondContact CB-OD1 3.35Å; A328-D330 PolarHBondContact O-N 3.12Å; D330-P332 VanDerWaalsContact C-CD 3.45Å
331	T	95	Very high	95.1	Very high	61 Å²	61	48.6 Å²	48.6	37%	0.374	26%	0.261	S	S	.	.	S	Bend	trans	-132.6	48.3	-170.2	42.3	0	0	0	0	111.5	T327 A328 A329 A333 N336	T327-T331 PolarHBondContact OG1-O 3.31Å; A328-T331 CarbonylContact O-C 3.54Å; A328-T331 PolarHBondContact O-N 2.93Å; A329-T331 VanDerWaalsContact C-N 3.3Å; T331-A333 VanDerWaalsContact C-N 3.26Å; T331-A333 PolarHBondContact O-N 2.92Å; T331-N336 PolarHBondContact O-ND2 2.72Å
332	P	95.8	Very high	95.2	Very high	13 Å²	13	51.7 Å²	51.7	8%	0.084	28%	0.28	C	S	.	.			trans	-75.1	2.1	-158.3	34.6	-41.5	0	0	0	116.4	V290 I292 L310 D330 W337	V290-P332 HydrophobicContact CG1-CG 4.31Å; I292-P332 HydrophobicContact CB-CB 4.33Å; I292-P332 HydrophobicContact CG1-CB 4.21Å; I292-P332 HydrophobicContact CG2-CB 4.15Å; I292-P332 WeakPolarHBondContact CG2-O 3.25Å; I292-P332 CarbonylContact O-C 3.57Å; L310-P332 HydrophobicContact CD1-CB 3.62Å; D330-P332 VanDerWaalsContact C-CD 3.45Å; P332-W337 PolarHBondContact O-NE1 3.01Å
333	A	94.3	Very high	95.1	Very high	34 Å²	34	51.1 Å²	51.1	28%	0.281	28%	0.278	S	S	.	.	S	Bend	trans	-71.7	150.7	-173.3	0	0	0	0	0	113.4	I292 T331 M335 N336 W337	I292-A333 WeakPolarHBondContact O-CA 3.33Å; T331-A333 VanDerWaalsContact C-N 3.26Å; T331-A333 PolarHBondContact O-N 2.92Å; A333-M335 HydrophobicContact CB-CG 4.25Å; A333-M335 PolarHBondContact O-N 3.18Å; A333-N336 PolarHBondContact O-N 2.85Å; A333-W337 VanDerWaalsContact O-CD1 3.32Å
334	I	96.1	Very high	94.8	Very high	46 Å²	46	55.8 Å²	55.8	24%	0.236	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-59.3	-17.1	-171.7	-158.9	158.5	0	0	0	115.9	Q293 I296 V316 N336 W337	Q293-I334 HydrophobicContact CG-CB 3.95Å; Q293-I334 HydrophobicContact CG-CD1 4.23Å; Q293-I334 HydrophobicContact CG-CG2 4.33Å; Q293-I334 VanDerWaalsContact OE1-N 3.16Å; I296-I334 HydrophobicContact CD1-CD1 4.07Å; V316-I334 HydrophobicContact CB-CD1 4.28Å; V316-I334 HydrophobicContact CG1-CD1 4.48Å; V316-I334 HydrophobicContact CG2-CD1 3.79Å; I334-N336 VanDerWaalsContact C-N 3.26Å; I334-N336 PolarHBondContact O-N 2.86Å; I334-W337 HydrophobicContact CB-CD2 4.23Å; I334-W337 HydrophobicContact CB-CZ2 4.24Å; I334-W337 HydrophobicContact CD1-CE3 4.06Å; I334-W337 HydrophobicContact CD1-CH2 3.9Å; I334-W337 HydrophobicContact CD1-CZ2 4.47Å; I334-W337 HydrophobicContact CD1-CZ3 3.67Å; I334-W337 HydrophobicContact CG1-CD2 3.8Å; I334-W337 HydrophobicContact CG1-CE3 3.64Å; I334-W337 HydrophobicContact CG1-CG 4.42Å; I334-W337 HydrophobicContact CG1-CH2 4.07Å; I334-W337 HydrophobicContact CG1-CZ2 4.23Å; I334-W337 HydrophobicContact CG1-CZ3 3.78Å
335	M	95.8	Very high	94.3	Very high	165 Å²	165	65.2 Å²	65.2	81%	0.813	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-74	-14	174.8	58.6	176.7	-76.8	0	0	114.1	A333	A333-M335 HydrophobicContact CB-CG 4.25Å; A333-M335 PolarHBondContact O-N 3.18Å
336	N	97.3	Very high	93.8	Very high	59 Å²	59	67.5 Å²	67.5	32%	0.316	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-109.8	2.6	-179.7	-53.1	-33.5	0	0	0	112.4	T327 T331 A333 I334 D338	T327-N336 PolarHBondContact OG1-O 2.91Å; T331-N336 PolarHBondContact O-ND2 2.72Å; A333-N336 PolarHBondContact O-N 2.85Å; I334-N336 VanDerWaalsContact C-N 3.26Å; I334-N336 PolarHBondContact O-N 2.86Å; N336-D338 PolarHBondContact O-N 3.49Å
337	W	96.9	Very high	93.5	Very high	15 Å²	15	65.1 Å²	65.1	6%	0.057	34%	0.339	C	S	.	.			trans	-74.7	107.8	178.9	-64.2	6.7	0	0	0	109.7	I292 Q293 Y301 I312 T314 V316 M325 P332 A333 I334	I292-W337 HydrophobicContact CG2-CZ2 4.07Å; Q293-W337 HydrophobicContact CB-CH2 4.33Å; Q293-W337 HydrophobicContact CB-CZ2 3.84Å; Q293-W337 HydrophobicContact CG-CH2 4.47Å; Q293-W337 HydrophobicContact CG-CZ2 4.33Å; Y301-W337 HydrophobicContact CD1-CH2 4.08Å; Y301-W337 AromaticContact CD2-CH2 3.78Å; Y301-W337 HydrophobicContact CD2-CH2 3.78Å; Y301-W337 HydrophobicContact CD2-CZ2 4.2Å; Y301-W337 HydrophobicContact CE2-CH2 4.24Å; Y301-W337 HydrophobicContact CE2-CZ2 4.32Å; Y301-W337 AromaticContact CG-CH2 3.7Å; Y301-W337 HydrophobicContact CG-CH2 3.7Å; Y301-W337 HydrophobicContact CG-CZ3 4.45Å; I312-W337 HydrophobicContact CD1-CD2 3.9Å; I312-W337 VanDerWaalsContact CD1-CE2 3.42Å; I312-W337 HydrophobicContact CD1-CG 4.2Å; I312-W337 HydrophobicContact CD1-CZ2 3.83Å; I312-W337 HydrophobicContact CG2-CD2 4.24Å; I312-W337 HydrophobicContact CG2-CE3 3.94Å; I312-W337 HydrophobicContact CG2-CH2 3.81Å; I312-W337 HydrophobicContact CG2-CZ2 4.08Å; I312-W337 HydrophobicContact CG2-CZ3 3.73Å; T314-W337 HydrophobicContact CG2-CE3 3.98Å; T314-W337 HydrophobicContact CG2-CZ3 3.85Å; V316-W337 HydrophobicContact CG1-CE3 4.35Å; V316-W337 HydrophobicContact CG1-CZ3 4.38Å; M325-W337 HydrophobicContact CB-CB 4.22Å; M325-W337 HydrophobicContact CE-CB 3.88Å; M325-W337 WeakPolarHBondContact CE-O 3.45Å; M325-W337 HydrophobicContact SD-CB 4.29Å; M325-W337 HydrophobicContact SD-CE3 4.29Å; P332-W337 PolarHBondContact O-NE1 3.01Å; A333-W337 VanDerWaalsContact O-CD1 3.32Å; I334-W337 HydrophobicContact CB-CD2 4.23Å; I334-W337 HydrophobicContact CB-CZ2 4.24Å; I334-W337 HydrophobicContact CD1-CE3 4.06Å; I334-W337 HydrophobicContact CD1-CH2 3.9Å; I334-W337 HydrophobicContact CD1-CZ2 4.47Å; I334-W337 HydrophobicContact CD1-CZ3 3.67Å; I334-W337 HydrophobicContact CG1-CD2 3.8Å; I334-W337 HydrophobicContact CG1-CE3 3.64Å; I334-W337 HydrophobicContact CG1-CG 4.42Å; I334-W337 HydrophobicContact CG1-CH2 4.07Å; I334-W337 HydrophobicContact CG1-CZ2 4.23Å; I334-W337 HydrophobicContact CG1-CZ3 3.78Å
338	D	95.6	Very high	93.3	Very high	118 Å²	118	66.9 Å²	66.9	63%	0.631	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	146.4	173.5	-88.9	-43.8	0	0	0	111.4	M325 R326 N336 F340	M325-D338 CarbonylContact C-O 3.55Å; M325-D338 WeakPolarHBondContact CA-O 3.23Å; M325-D338 VanDerWaalsContact CB-O 3.27Å; M325-D338 WeakPolarHBondContact CB-O 3.21Å; R326-D338 PolarHBondContact N-O 3.07Å; R326-D338 PolarHBondContact O-N 3.3Å; N336-D338 PolarHBondContact O-N 3.49Å; D338-F340 PolarHBondContact O-N 3.08Å
339	L	95	Very high	93.2	Very high	102 Å²	102	65.7 Å²	65.7	53%	0.534	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	112.3	179.5	177.9	61.6	0	0	0	111	K323	K323-L339 HydrophobicContact CB-CD1 4.17Å; K323-L339 HydrophobicContact CD-CD1 4.03Å
340	F	94.4	Very high	93.1	Very high	22 Å²	22	67.7 Å²	67.7	10%	0.096	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-50.3	176.8	178.5	-112.9	0	0	0	111.9	Y311 L324 R326 D338 I374 L376 D379	Y311-F340 HydrophobicContact CD1-CD1 4.24Å; Y311-F340 HydrophobicContact CD1-CE1 4.18Å; Y311-F340 HydrophobicContact CE1-CD1 4.03Å; Y311-F340 HydrophobicContact CE1-CD2 4.43Å; Y311-F340 AromaticContact CE1-CE1 3.78Å; Y311-F340 HydrophobicContact CE1-CE1 3.78Å; Y311-F340 HydrophobicContact CE1-CE2 4.2Å; Y311-F340 HydrophobicContact CE1-CG 4.34Å; Y311-F340 AromaticContact CE1-CZ 3.87Å; Y311-F340 HydrophobicContact CE1-CZ 3.87Å; L324-F340 HydrophobicContact CB-CD1 4.38Å; L324-F340 HydrophobicContact CD2-CD1 3.67Å; L324-F340 HydrophobicContact CD2-CE1 3.9Å; L324-F340 HydrophobicContact CG-CD1 3.83Å; L324-F340 PolarHBondContact O-N 2.67Å; L324-F340 VanDerWaalsContact O-N 3.08Å; R326-F340 HydrophobicContact CB-CB 4.47Å; R326-F340 HydrophobicContact CG-CB 4.27Å; R326-F340 VanDerWaalsContact NH1-CE2 3.32Å; D338-F340 PolarHBondContact O-N 3.08Å; F340-I374 HydrophobicContact CE1-CB 4.39Å; F340-I374 HydrophobicContact CE1-CD1 4.34Å; F340-I374 HydrophobicContact CE1-CG2 3.63Å; F340-I374 HydrophobicContact CE2-CG2 4.45Å; F340-I374 HydrophobicContact CZ-CG2 3.5Å; F340-I374 VanDerWaalsContact CZ-CG2 3.5Å; F340-L376 HydrophobicContact CE1-CD2 4.17Å; F340-L376 HydrophobicContact CZ-CD2 3.78Å; F340-D379 HydrophobicContact CE2-CB 4.49Å; F340-D379 WeakPolarHBondContact CE2-OD1 3.28Å
341	F	93.6	Very high	93	Very high	35 Å²	35	63.9 Å²	63.9	15%	0.154	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	140.2	177.1	-178.6	-101.9	0	0	0	112.6	K323 L324 M343 L361 N372 I374 V381	K323-F341 WeakPolarHBondContact CB-O 3.33Å; L324-F341 HydrophobicContact CB-CB 4.24Å; L324-F341 PolarHBondContact N-O 2.99Å; L324-F341 PolarHBondContact O-N 2.77Å; L324-F341 VanDerWaalsContact O-O 3.13Å; F341-M343 HydrophobicContact CD1-CE 4.2Å; F341-M343 HydrophobicContact CD1-SD 4.33Å; F341-M343 HydrophobicContact CE1-CE 4.23Å; F341-M343 HydrophobicContact CE1-SD 3.81Å; F341-L361 HydrophobicContact CD1-CD1 3.62Å; F341-L361 HydrophobicContact CE1-CD1 3.85Å; F341-N372 VanDerWaalsContact CZ-ND2 3.31Å; F341-N372 WeakPolarHBondContact CZ-ND2 3.17Å; F341-I374 HydrophobicContact CB-CD1 3.71Å; F341-I374 HydrophobicContact CD1-CD1 3.86Å; F341-I374 HydrophobicContact CD2-CD1 4.02Å; F341-I374 HydrophobicContact CG-CD1 3.57Å; F341-V381 HydrophobicContact CD2-CG2 3.84Å; F341-V381 HydrophobicContact CE2-CB 4.48Å; F341-V381 HydrophobicContact CE2-CG1 3.88Å; F341-V381 HydrophobicContact CE2-CG2 3.93Å; F341-V381 HydrophobicContact CZ-CG1 4.42Å
342	T	91.4	Very high	93	Very high	78 Å²	78	62.3 Å²	62.3	48%	0.479	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	136.9	179.4	-168.4	0	0	0	0	112
343	M	89.6	Confident	92.8	Very high	17 Å²	17	62.8 Å²	62.8	8%	0.084	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-74.1	151.3	178.9	-58.2	-64.9	167.3	0	0	111.1	L313 F322 F341 V349 L361 L363	L313-M343 HydrophobicContact CD1-CE 4.35Å; F322-M343 WeakPolarHBondContact O-CB 3.35Å; F322-M343 WeakPolarHBondContact O-CG 3.34Å; F341-M343 HydrophobicContact CD1-CE 4.2Å; F341-M343 HydrophobicContact CD1-SD 4.33Å; F341-M343 HydrophobicContact CE1-CE 4.23Å; F341-M343 HydrophobicContact CE1-SD 3.81Å; M343-V349 HydrophobicContact CE-CG2 3.43Å; M343-V349 VanDerWaalsContact CE-CG2 3.43Å; M343-V349 HydrophobicContact CG-CG2 4.11Å; M343-V349 HydrophobicContact SD-CG2 3.92Å; M343-L361 HydrophobicContact CE-CD1 3.65Å; M343-L361 HydrophobicContact CE-CD2 4.03Å; M343-L361 HydrophobicContact CE-CG 4.39Å; M343-L363 HydrophobicContact CE-CD2 4.08Å; M343-L363 HydrophobicContact SD-CD1 4.03Å; M343-L363 HydrophobicContact SD-CD2 3.64Å
344	K	87.4	Confident	92.7	Very high	131 Å²	131	61.6 Å²	61.6	57%	0.57	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-67.4	143.8	166.7	-67.1	173.6	-176.4	168.3	0	108.9	T347	K344-T347 WeakPolarHBondContact O-CB 3.32Å; K344-T347 PolarHBondContact O-N 2.83Å; K344-T347 PolarHBondContact O-OG1 3.29Å
345	R	85.6	Confident	92.5	Very high	199 Å²	199	60.5 Å²	60.5	75%	0.751	29%	0.294	S	S	*	.	S	Bend	trans	-52	142.7	170.5	-170.8	-179.9	-177.7	167.8	8.2	110.7	H365	R345-H365 PolarHBondContact O-CE1 3.5Å
346	N	86.9	Confident	92.2	Very high	65 Å²	65	58.3 Å²	58.3	35%	0.348	28%	0.28	S	S	.	.	S	Bend	trans	59.3	47.6	-172.5	-53.5	1.1	0	0	0	112.7	H365 L515	N346-H365 PolarHBondContact O-ND1 3.12Å; N346-L515 WeakPolarHBondContact CA-O 3.21Å; N346-L515 HydrophobicContact CB-CB 4.32Å; N346-L515 HydrophobicContact CB-CD2 4.37Å
347	T	91.1	Very high	92	Very high	6 Å²	6	59.8 Å²	59.8	4%	0.037	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	122.2	172.2	-53.3	0	0	0	0	109	K344 L363 K364 H365	K344-T347 WeakPolarHBondContact O-CB 3.32Å; K344-T347 PolarHBondContact O-N 2.83Å; K344-T347 PolarHBondContact O-OG1 3.29Å; T347-L363 HydrophobicContact CG2-CB 3.99Å; T347-L363 HydrophobicContact CG2-CD1 4.27Å; T347-L363 HydrophobicContact CG2-CD2 4.21Å; T347-L363 HydrophobicContact CG2-CG 4.39Å; T347-K364 CarbonylContact C-O 3.57Å; T347-K364 WeakPolarHBondContact CA-O 3.33Å; T347-H365 HydrophobicContact CG2-CB 4.14Å; T347-H365 PolarHBondContact OG1-ND1 3.05Å
348	K	92.6	Very high	91.8	Very high	45 Å²	45	61 Å²	61	20%	0.196	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	133.7	164.5	176.4	163.3	-177.4	165.8	0	109.4	I350 L363 K364 G483 D485 G513	K348-I350 HydrophobicContact CG-CG1 4.44Å; K348-L363 WeakPolarHBondContact O-CA 3.35Å; K348-K364 HydrophobicContact CB-CB 4.47Å; K348-K364 PolarHBondContact N-O 3.18Å; K348-K364 PolarHBondContact O-N 3.29Å; K348-G483 PolarHBondContact NZ-O 2.99Å; K348-D485 WeakPolarHBondContact CD-OD1 3.11Å; K348-D485 WeakPolarHBondContact CE-OD1 3.17Å; K348-D485 IonicContact NZ-OD1 2.9Å; K348-D485 PolarHBondContact NZ-OD1 2.95Å; K348-G513 WeakPolarHBondContact CD-O 3.32Å
349	V	94	Very high	91.8	Very high	17 Å²	17	55.3 Å²	55.3	10%	0.103	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	120.3	158.2	-171.9	0	0	0	0	106.7	L313 F322 M343 L363	L313-V349 HydrophobicContact CD1-CG2 4.41Å; L313-V349 HydrophobicContact CD2-CG1 4.12Å; F322-V349 HydrophobicContact CB-CG2 3.79Å; F322-V349 HydrophobicContact CD2-CG2 4.42Å; F322-V349 HydrophobicContact CG-CG2 4.39Å; M343-V349 HydrophobicContact CE-CG2 3.43Å; M343-V349 VanDerWaalsContact CE-CG2 3.43Å; M343-V349 HydrophobicContact CG-CG2 4.11Å; M343-V349 HydrophobicContact SD-CG2 3.92Å; V349-L363 HydrophobicContact CB-CD2 4.22Å; V349-L363 HydrophobicContact CG1-CD2 4.23Å; V349-L363 HydrophobicContact CG2-CD2 3.93Å
350	I	93.1	Very high	91.8	Very high	62 Å²	62	50.5 Å²	50.5	32%	0.318	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-44.5	172.4	-70.2	178.2	0	0	0	108.8	K348 F362 K364 L369 F393 M395	K348-I350 HydrophobicContact CG-CG1 4.44Å; I350-F362 HydrophobicContact CB-CB 4.47Å; I350-F362 WeakPolarHBondContact CB-O 3.4Å; I350-F362 PolarHBondContact N-O 3.28Å; I350-K364 HydrophobicContact CD1-CB 3.76Å; I350-K364 HydrophobicContact CD1-CD 4.48Å; I350-K364 HydrophobicContact CG1-CB 4.25Å; I350-L369 HydrophobicContact CD1-CD2 3.89Å; I350-F393 HydrophobicContact CB-CD2 4.5Å; I350-F393 HydrophobicContact CD1-CD2 3.77Å; I350-F393 HydrophobicContact CD1-CE2 4.09Å; I350-F393 HydrophobicContact CG2-CD2 4.22Å; I350-M395 HydrophobicContact CG2-CE 4.17Å
351	D	92.4	Very high	91.9	Very high	51 Å²	51	49.4 Å²	49.4	27%	0.273	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	165.4	-179.4	-145.1	-18.8	0	0	0	112.5	F362 M395	D351-F362 HydrophobicContact CB-CB 4.02Å; D351-F362 HydrophobicContact CB-CD2 3.93Å; D351-F362 HydrophobicContact CB-CG 4.34Å; D351-F362 PolarHBondContact N-O 3.22Å; D351-F362 PolarHBondContact O-N 3.11Å; D351-M395 HydrophobicContact CB-CE 3.69Å; D351-M395 WeakPolarHBondContact OD2-CG 3.27Å
352	L	93.8	Very high	92.1	Very high	28 Å²	28	47.9 Å²	47.9	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	123.1	174.1	-176.5	164.9	0	0	0	108.8	E304 L313 L324 M354 V360 L361	E304-L352 HydrophobicContact CG-CD2 4.48Å; L313-L352 HydrophobicContact CB-CD1 3.93Å; L313-L352 HydrophobicContact CD1-CD1 4.38Å; L313-L352 HydrophobicContact CD2-CB 4.34Å; L313-L352 HydrophobicContact CD2-CD1 4.1Å; L313-L352 HydrophobicContact CG-CD1 4.36Å; L324-L352 HydrophobicContact CD1-CD1 3.84Å; L324-L352 HydrophobicContact CD2-CD1 4.3Å; L352-M354 HydrophobicContact CD2-CE 4.39Å; L352-V360 WeakPolarHBondContact CA-O 3.48Å; L352-L361 HydrophobicContact CB-CD2 3.9Å; L352-L361 HydrophobicContact CD1-CD2 3.7Å; L352-L361 HydrophobicContact CG-CD2 3.68Å
353	D	91.7	Very high	92.3	Very high	24 Å²	24	44.5 Å²	44.5	13%	0.128	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	140.5	174.1	-165.6	9	0	0	0	111.1	K260 F355 V360 F362	K260-D353 WeakPolarHBondContact CD-OD1 3.48Å; K260-D353 WeakPolarHBondContact CE-OD1 3.23Å; K260-D353 IonicContact NZ-OD1 2.71Å; K260-D353 PolarHBondContact NZ-OD1 3.13Å; K260-D353 IonicContact NZ-OD2 3.32Å; D353-F355 HydrophobicContact CB-CE2 3.87Å; D353-F355 VanDerWaalsContact OD2-CE2 3.27Å; D353-F355 WeakPolarHBondContact OD2-CE2 3.38Å; D353-F355 WeakPolarHBondContact OD2-CZ 3.28Å; D353-V360 PolarHBondContact N-O 3.28Å; D353-V360 PolarHBondContact O-N 3.09Å; D353-F362 HydrophobicContact CB-CE2 4.21Å
354	M	92	Very high	92.5	Very high	8 Å²	8	43.8 Å²	43.8	4%	0.039	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	117.7	-173.8	-169.4	62.7	73.6	0	0	111	K260 E304 Y311 L352 C359 L376	K260-M354 HydrophobicContact CB-CB 4.12Å; K260-M354 WeakPolarHBondContact CB-O 3.4Å; K260-M354 HydrophobicContact CG-CB 4.22Å; E304-M354 HydrophobicContact CB-CE 4.08Å; E304-M354 HydrophobicContact CG-CB 4.19Å; E304-M354 VanDerWaalsContact OE1-CB 3.25Å; E304-M354 WeakPolarHBondContact OE1-CB 3.17Å; Y311-M354 VanDerWaalsContact CB-CE 3.49Å; Y311-M354 HydrophobicContact CD1-CE 3.96Å; Y311-M354 HydrophobicContact CD2-CE 4.15Å; Y311-M354 HydrophobicContact CG-CE 3.58Å; L352-M354 HydrophobicContact CD2-CE 4.39Å; M354-C359 HydrophobicContact CE-CB 3.97Å; M354-C359 HydrophobicContact SD-CB 3.87Å; M354-L376 HydrophobicContact SD-CD1 3.9Å; M354-L376 HydrophobicContact SD-CD2 4.41Å
355	F	92.1	Very high	92.7	Very high	23 Å²	23	39.6 Å²	39.6	10%	0.101	19%	0.185	C	C	.	.			trans	-109	169	176.2	-63.2	-97.7	0	0	0	109.6	D353 D357 H358 V360 N403 C404 F422	D353-F355 HydrophobicContact CB-CE2 3.87Å; D353-F355 VanDerWaalsContact OD2-CE2 3.27Å; D353-F355 WeakPolarHBondContact OD2-CE2 3.38Å; D353-F355 WeakPolarHBondContact OD2-CZ 3.28Å; F355-D357 PolarHBondContact O-N 2.98Å; F355-H358 CarbonylContact C-O 3.52Å; F355-H358 WeakPolarHBondContact CA-O 3.27Å; F355-H358 HydrophobicContact CB-CB 4.48Å; F355-H358 WeakPolarHBondContact CB-O 3.13Å; F355-H358 PolarHBondContact N-O 3.08Å; F355-H358 VanDerWaalsContact O-O 3.09Å; F355-V360 HydrophobicContact CD2-CB 4.47Å; F355-V360 HydrophobicContact CD2-CG2 3.76Å; F355-V360 HydrophobicContact CE2-CB 4.18Å; F355-V360 HydrophobicContact CE2-CG2 3.7Å; F355-N403 WeakPolarHBondContact CE1-O 3.5Å; F355-C404 HydrophobicContact CE1-CB 4.26Å; F355-C404 HydrophobicContact CE2-CB 3.95Å; F355-C404 HydrophobicContact CZ-CB 3.58Å; F355-F422 HydrophobicContact CB-CE2 4.18Å; F355-F422 HydrophobicContact CB-CZ 4.07Å; F355-F422 AromaticContact CD1-CE2 3.45Å; F355-F422 HydrophobicContact CD1-CE2 3.45Å; F355-F422 VanDerWaalsContact CD1-CE2 3.45Å; F355-F422 AromaticContact CD1-CZ 3.81Å; F355-F422 HydrophobicContact CD1-CZ 3.81Å; F355-F422 HydrophobicContact CD2-CE2 4.09Å; F355-F422 AromaticContact CD2-CZ 3.54Å; F355-F422 HydrophobicContact CD2-CZ 3.54Å; F355-F422 AromaticContact CE1-CE2 3.78Å; F355-F422 HydrophobicContact CE1-CE2 3.78Å; F355-F422 HydrophobicContact CE1-CZ 4.12Å; F355-F422 HydrophobicContact CE2-CE2 4.37Å; F355-F422 AromaticContact CE2-CZ 3.87Å; F355-F422 HydrophobicContact CE2-CZ 3.87Å; F355-F422 AromaticContact CG-CE2 3.63Å; F355-F422 HydrophobicContact CG-CE2 3.63Å; F355-F422 AromaticContact CG-CZ 3.51Å; F355-F422 HydrophobicContact CG-CZ 3.51Å; F355-F422 HydrophobicContact CZ-CE2 4.24Å; F355-F422 HydrophobicContact CZ-CZ 4.16Å
356	K	89.8	Confident	92.5	Very high	119 Å²	119	33.4 Å²	33.4	52%	0.517	17%	0.172	S	C	.	.	S	Bend	trans	-51.6	-54.2	-176	-177	-171.2	164.9	-175.3	0	113.4	R306	R306-K356 WeakPolarHBondContact CD-O 3.43Å; R306-K356 PolarHBondContact NE-O 2.98Å
357	D	92.3	Very high	92.3	Very high	90 Å²	90	30.5 Å²	30.5	48%	0.481	16%	0.157	S	C	.	.	S	Bend	trans	-108.8	2.2	-172.6	-44.7	-79.2	0	0	0	112.2	F355 L376	F355-D357 PolarHBondContact O-N 2.98Å; D357-L376 PolarHBondContact O-N 2.93Å
358	H	94.4	Very high	92.3	Very high	40 Å²	40	31.8 Å²	31.8	19%	0.185	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	144.3	-172	-57.7	87.5	0	0	0	113.5	F355 V373 I374 F422	F355-H358 CarbonylContact C-O 3.52Å; F355-H358 WeakPolarHBondContact CA-O 3.27Å; F355-H358 HydrophobicContact CB-CB 4.48Å; F355-H358 WeakPolarHBondContact CB-O 3.13Å; F355-H358 PolarHBondContact N-O 3.08Å; F355-H358 VanDerWaalsContact O-O 3.09Å; H358-V373 HydrophobicContact CB-CG1 4.25Å; H358-I374 CarbonylContact C-O 3.53Å; H358-I374 WeakPolarHBondContact CA-O 3.4Å; H358-F422 HydrophobicContact CB-CD1 3.94Å; H358-F422 HydrophobicContact CB-CE1 3.58Å; H358-F422 HydrophobicContact CB-CZ 4.34Å; H358-F422 AromaticContact CD2-CD1 3.8Å; H358-F422 AromaticContact CE1-CD1 3.58Å; H358-F422 AromaticContact CE1-CG 3.95Å; H358-F422 AromaticContact CG-CD1 3.44Å; H358-F422 VanDerWaalsContact CG-CD1 3.44Å; H358-F422 AromaticContact CG-CE1 3.64Å; H358-F422 AromaticContact ND1-CD1 3.28Å; H358-F422 VanDerWaalsContact ND1-CD1 3.28Å; H358-F422 WeakPolarHBondContact ND1-CD1 3.37Å; H358-F422 AromaticContact ND1-CE1 3.85Å; H358-F422 AromaticContact ND1-CG 3.76Å; H358-F422 AromaticContact NE2-CD1 3.85Å
359	C	95	Very high	92.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.6	160.2	175.4	0	0	0	0	109.6	L324 M354 I374 L376	L324-C359 HydrophobicContact CD2-CB 4.4Å; M354-C359 HydrophobicContact CE-CB 3.97Å; M354-C359 HydrophobicContact SD-CB 3.87Å; C359-I374 PolarHBondContact N-O 2.95Å; C359-I374 PolarHBondContact O-N 3.23Å; C359-L376 HydrophobicContact CB-CD2 3.85Å
360	V	95.8	Very high	92.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	123.1	177.4	-176.9	0	0	0	0	109.6	L352 D353 F355 F362 V371 V373 C404 F422	L352-V360 WeakPolarHBondContact CA-O 3.48Å; D353-V360 PolarHBondContact N-O 3.28Å; D353-V360 PolarHBondContact O-N 3.09Å; F355-V360 HydrophobicContact CD2-CB 4.47Å; F355-V360 HydrophobicContact CD2-CG2 3.76Å; F355-V360 HydrophobicContact CE2-CB 4.18Å; F355-V360 HydrophobicContact CE2-CG2 3.7Å; V360-F362 HydrophobicContact CG1-CD2 4.34Å; V360-F362 HydrophobicContact CG1-CE1 4.49Å; V360-F362 HydrophobicContact CG1-CE2 3.85Å; V360-F362 HydrophobicContact CG1-CZ 3.96Å; V360-V371 HydrophobicContact CG1-CG1 3.58Å; V360-V373 HydrophobicContact CG2-CG1 4.39Å; V360-V373 HydrophobicContact CG2-CG2 4.4Å; V360-C404 HydrophobicContact CG2-CB 4.47Å; V360-F422 HydrophobicContact CG2-CE1 3.84Å; V360-F422 HydrophobicContact CG2-CZ 3.77Å
361	L	96.2	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	123.1	177.4	-66.6	165.6	0	0	0	110.2	F341 M343 L352 L363 V371 N372 I374	F341-L361 HydrophobicContact CD1-CD1 3.62Å; F341-L361 HydrophobicContact CE1-CD1 3.85Å; M343-L361 HydrophobicContact CE-CD1 3.65Å; M343-L361 HydrophobicContact CE-CD2 4.03Å; M343-L361 HydrophobicContact CE-CG 4.39Å; L352-L361 HydrophobicContact CB-CD2 3.9Å; L352-L361 HydrophobicContact CD1-CD2 3.7Å; L352-L361 HydrophobicContact CG-CD2 3.68Å; L361-L363 HydrophobicContact CB-CD1 4.43Å; L361-L363 HydrophobicContact CB-CD2 4.06Å; L361-L363 HydrophobicContact CB-CG 4.12Å; L361-V371 WeakPolarHBondContact O-CA 3.44Å; L361-N372 HydrophobicContact CB-CB 4.22Å; L361-N372 PolarHBondContact N-O 2.95Å; L361-N372 PolarHBondContact O-N 3.17Å; L361-I374 HydrophobicContact CD1-CD1 3.6Å; L361-I374 HydrophobicContact CG-CD1 4.46Å
362	F	96.1	Very high	93	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.013	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	117.5	174.8	-63.4	-87.7	0	0	0	109	I350 D351 D353 V360 V371 F393 M395 F406	I350-F362 HydrophobicContact CB-CB 4.47Å; I350-F362 WeakPolarHBondContact CB-O 3.4Å; I350-F362 PolarHBondContact N-O 3.28Å; D351-F362 HydrophobicContact CB-CB 4.02Å; D351-F362 HydrophobicContact CB-CD2 3.93Å; D351-F362 HydrophobicContact CB-CG 4.34Å; D351-F362 PolarHBondContact N-O 3.22Å; D351-F362 PolarHBondContact O-N 3.11Å; D353-F362 HydrophobicContact CB-CE2 4.21Å; V360-F362 HydrophobicContact CG1-CD2 4.34Å; V360-F362 HydrophobicContact CG1-CE1 4.49Å; V360-F362 HydrophobicContact CG1-CE2 3.85Å; V360-F362 HydrophobicContact CG1-CZ 3.96Å; F362-V371 HydrophobicContact CD1-CG2 3.85Å; F362-V371 HydrophobicContact CE1-CG2 4.01Å; F362-F393 HydrophobicContact CB-CD2 4.36Å; F362-F393 HydrophobicContact CB-CE2 4.1Å; F362-F393 HydrophobicContact CB-CZ 4.23Å; F362-F393 AromaticContact CD1-CD1 3.78Å; F362-F393 HydrophobicContact CD1-CD1 3.78Å; F362-F393 AromaticContact CD1-CE1 3.5Å; F362-F393 HydrophobicContact CD1-CE1 3.5Å; F362-F393 VanDerWaalsContact CD1-CE1 3.5Å; F362-F393 HydrophobicContact CD1-CE2 4.42Å; F362-F393 HydrophobicContact CD1-CG 4.37Å; F362-F393 AromaticContact CD1-CZ 3.84Å; F362-F393 HydrophobicContact CD1-CZ 3.84Å; F362-F393 HydrophobicContact CE1-CD1 4.3Å; F362-F393 HydrophobicContact CE1-CE1 4.13Å; F362-M395 HydrophobicContact CB-CE 3.47Å; F362-M395 VanDerWaalsContact CB-CE 3.47Å; F362-M395 HydrophobicContact CD1-CE 3.55Å; F362-M395 HydrophobicContact CD1-SD 3.84Å; F362-M395 HydrophobicContact CD2-CE 3.7Å; F362-M395 HydrophobicContact CD2-SD 4.15Å; F362-M395 HydrophobicContact CE1-CE 4.11Å; F362-M395 HydrophobicContact CE1-SD 3.76Å; F362-M395 HydrophobicContact CE2-CE 4.23Å; F362-M395 HydrophobicContact CE2-SD 4.07Å; F362-M395 HydrophobicContact CG-CE 3.28Å; F362-M395 HydrophobicContact CG-SD 4.01Å; F362-M395 HydrophobicContact CZ-CE 4.4Å; F362-M395 HydrophobicContact CZ-SD 3.85Å; F362-F406 HydrophobicContact CE1-CB 4.15Å; F362-F406 AromaticContact CE1-CD1 3.7Å; F362-F406 HydrophobicContact CE1-CD1 3.7Å; F362-F406 HydrophobicContact CE1-CD2 4.43Å; F362-F406 HydrophobicContact CE1-CE1 4.12Å; F362-F406 AromaticContact CE1-CG 3.85Å; F362-F406 HydrophobicContact CE1-CG 3.85Å; F362-F406 HydrophobicContact CZ-CB 4.5Å; F362-F406 HydrophobicContact CZ-CD1 4.19Å
363	L	95.9	Very high	93.1	Very high	7 Å²	7	24.9 Å²	24.9	4%	0.037	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	149.6	-164.4	-58	-179.7	0	0	0	112.4	M343 T347 K348 V349 L361 L369 Y370 N372	M343-L363 HydrophobicContact CE-CD2 4.08Å; M343-L363 HydrophobicContact SD-CD1 4.03Å; M343-L363 HydrophobicContact SD-CD2 3.64Å; T347-L363 HydrophobicContact CG2-CB 3.99Å; T347-L363 HydrophobicContact CG2-CD1 4.27Å; T347-L363 HydrophobicContact CG2-CD2 4.21Å; T347-L363 HydrophobicContact CG2-CG 4.39Å; K348-L363 WeakPolarHBondContact O-CA 3.35Å; V349-L363 HydrophobicContact CB-CD2 4.22Å; V349-L363 HydrophobicContact CG1-CD2 4.23Å; V349-L363 HydrophobicContact CG2-CD2 3.93Å; L361-L363 HydrophobicContact CB-CD1 4.43Å; L361-L363 HydrophobicContact CB-CD2 4.06Å; L361-L363 HydrophobicContact CB-CG 4.12Å; L363-L369 CarbonylContact O-C 3.51Å; L363-L369 WeakPolarHBondContact O-CA 3.39Å; L363-Y370 PolarHBondContact N-O 3.29Å; L363-Y370 PolarHBondContact O-N 3.25Å; L363-N372 HydrophobicContact CD1-CB 4.17Å; L363-N372 VanDerWaalsContact CD1-ND2 3.33Å; L363-N372 WeakPolarHBondContact CD1-ND2 3.48Å
364	K	94.3	Very high	93.3	Very high	2 Å²	2	23.9 Å²	23.9	1%	0.009	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	116.5	168.2	176.1	177.1	172.1	-178.9	0	109.5	T347 K348 I350 N367 L368 L369 D485	T347-K364 CarbonylContact C-O 3.57Å; T347-K364 WeakPolarHBondContact CA-O 3.33Å; K348-K364 HydrophobicContact CB-CB 4.47Å; K348-K364 PolarHBondContact N-O 3.18Å; K348-K364 PolarHBondContact O-N 3.29Å; I350-K364 HydrophobicContact CD1-CB 3.76Å; I350-K364 HydrophobicContact CD1-CD 4.48Å; I350-K364 HydrophobicContact CG1-CB 4.25Å; K364-N367 WeakPolarHBondContact CE-OD1 3.32Å; K364-L368 WeakPolarHBondContact CA-O 3.48Å; K364-L369 HydrophobicContact CB-CD2 3.95Å; K364-L369 HydrophobicContact CD-CD2 4.38Å; K364-L369 HydrophobicContact CG-CD2 4.15Å; K364-D485 VanDerWaalsContact CD-OD2 3.24Å; K364-D485 WeakPolarHBondContact CD-OD2 3.49Å; K364-D485 WeakPolarHBondContact CE-OD2 3.37Å; K364-D485 IonicContact NZ-OD2 3.71Å; K364-D485 PolarHBondContact NZ-OD2 3.27Å
365	H	91.4	Very high	93.5	Very high	42 Å²	42	23.7 Å²	23.7	19%	0.194	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	122.3	-177.8	178.2	59.1	0	0	0	109.6	R345 N346 T347 N367 L368 Y370	R345-H365 PolarHBondContact O-CE1 3.5Å; N346-H365 PolarHBondContact O-ND1 3.12Å; T347-H365 HydrophobicContact CG2-CB 4.14Å; T347-H365 PolarHBondContact OG1-ND1 3.05Å; H365-N367 VanDerWaalsContact C-N 3.3Å; H365-N367 PolarHBondContact O-N 3.37Å; H365-L368 PolarHBondContact N-O 2.71Å; H365-L368 PolarHBondContact O-N 3.47Å; H365-L368 VanDerWaalsContact O-N 3.08Å; H365-Y370 HydrophobicContact CB-CD2 4.04Å; H365-Y370 HydrophobicContact CB-CE2 3.85Å
366	S	82.6	Confident	93.5	Very high	69 Å²	69	23.5 Å²	23.5	48%	0.483	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	51.9	-172.4	-65.6	0	0	0	0	112.6	L368	S366-L368 PolarHBondContact O-N 3.14Å
367	N	82.4	Confident	93.5	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.027	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	7.3	-178.7	-101.9	2.5	0	0	0	117.5	K364 H365 R445 P457 H508	K364-N367 WeakPolarHBondContact CE-OD1 3.32Å; H365-N367 VanDerWaalsContact C-N 3.3Å; H365-N367 PolarHBondContact O-N 3.37Å; N367-R445 PolarHBondContact O-NH1 3.34Å; N367-P457 VanDerWaalsContact ND2-CB 3.31Å; N367-P457 WeakPolarHBondContact ND2-CB 3.4Å; N367-H508 PolarHBondContact ND2-CD2 2.83Å; N367-H508 PolarHBondContact ND2-NE2 3.01Å
368	L	91.3	Very high	93.5	Very high	33 Å²	33	23.8 Å²	23.8	17%	0.173	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142	175.4	-68.9	163.1	0	0	0	110.2	K364 H365 S366 Y370 P388	K364-L368 WeakPolarHBondContact CA-O 3.48Å; H365-L368 PolarHBondContact N-O 2.71Å; H365-L368 PolarHBondContact O-N 3.47Å; H365-L368 VanDerWaalsContact O-N 3.08Å; S366-L368 PolarHBondContact O-N 3.14Å; L368-Y370 HydrophobicContact CB-CE2 3.88Å; L368-Y370 VanDerWaalsContact O-CD2 3.27Å; L368-Y370 WeakPolarHBondContact O-CD2 3.29Å; L368-Y370 WeakPolarHBondContact O-CE2 3.4Å; L368-P388 HydrophobicContact CD2-CB 4.28Å
369	L	95.4	Very high	93.4	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.026	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	144.2	-179	-54.3	-176.9	0	0	0	111.6	I350 L363 K364 L386 A390 F393 L408	I350-L369 HydrophobicContact CD1-CD2 3.89Å; L363-L369 CarbonylContact O-C 3.51Å; L363-L369 WeakPolarHBondContact O-CA 3.39Å; K364-L369 HydrophobicContact CB-CD2 3.95Å; K364-L369 HydrophobicContact CD-CD2 4.38Å; K364-L369 HydrophobicContact CG-CD2 4.15Å; L369-L386 HydrophobicContact CB-CB 4.22Å; L369-L386 HydrophobicContact CB-CD1 3.82Å; L369-L386 HydrophobicContact CB-CG 4.46Å; L369-L386 WeakPolarHBondContact O-CB 3.09Å; L369-L386 PolarHBondContact O-N 2.86Å; L369-A390 HydrophobicContact CD1-CB 3.98Å; L369-F393 HydrophobicContact CB-CE2 3.86Å; L369-F393 HydrophobicContact CB-CZ 3.99Å; L369-F393 HydrophobicContact CD1-CD2 3.99Å; L369-F393 HydrophobicContact CD1-CE2 4Å; L369-F393 HydrophobicContact CD1-CG 4.43Å; L369-F393 HydrophobicContact CD1-CZ 4.44Å; L369-F393 HydrophobicContact CD2-CD2 4.22Å; L369-F393 HydrophobicContact CD2-CE2 3.97Å; L369-F393 HydrophobicContact CG-CE2 4.15Å; L369-L408 HydrophobicContact CD1-CD2 4.22Å
370	Y	96.6	Very high	93.3	Very high	38 Å²	38	28 Å²	28	15%	0.149	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	150	177.7	-62.2	-102.7	0	0	0	110.3	L363 H365 L368 L384 K385	L363-Y370 PolarHBondContact N-O 3.29Å; L363-Y370 PolarHBondContact O-N 3.25Å; H365-Y370 HydrophobicContact CB-CD2 4.04Å; H365-Y370 HydrophobicContact CB-CE2 3.85Å; L368-Y370 HydrophobicContact CB-CE2 3.88Å; L368-Y370 VanDerWaalsContact O-CD2 3.27Å; L368-Y370 WeakPolarHBondContact O-CD2 3.29Å; L368-Y370 WeakPolarHBondContact O-CE2 3.4Å; Y370-L384 CarbonylContact C-O 3.31Å; Y370-L384 WeakPolarHBondContact CA-O 3.43Å; Y370-K385 HydrophobicContact CD1-CB 3.85Å; Y370-K385 HydrophobicContact CD1-CG 4.21Å; Y370-K385 HydrophobicContact CE1-CB 3.58Å; Y370-K385 HydrophobicContact CE1-CD 4.05Å; Y370-K385 HydrophobicContact CE1-CG 3.66Å
371	V	96.7	Very high	93.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	122.3	163.6	177.2	0	0	0	0	107.6	V360 L361 F362 V373 L384 L386 F393 F406	V360-V371 HydrophobicContact CG1-CG1 3.58Å; L361-V371 WeakPolarHBondContact O-CA 3.44Å; F362-V371 HydrophobicContact CD1-CG2 3.85Å; F362-V371 HydrophobicContact CE1-CG2 4.01Å; V371-V373 HydrophobicContact CG1-CG2 3.96Å; V371-L384 HydrophobicContact CB-CB 4.43Å; V371-L384 PolarHBondContact N-O 2.64Å; V371-L384 WeakPolarHBondContact O-CB 3.43Å; V371-L384 PolarHBondContact O-N 2.99Å; V371-L386 HydrophobicContact CG2-CD1 4.13Å; V371-L386 HydrophobicContact CG2-CD2 4.39Å; V371-F393 HydrophobicContact CG2-CE1 3.93Å; V371-F393 HydrophobicContact CG2-CZ 4.05Å; V371-F406 HydrophobicContact CG2-CE1 4.1Å; V371-F406 HydrophobicContact CG2-CE2 4.42Å; V371-F406 HydrophobicContact CG2-CZ 3.77Å
372	N	96.8	Very high	93.2	Very high	12 Å²	12	36.6 Å²	36.6	6%	0.064	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.1	168.2	-75.4	3.1	0	0	0	108.5	F341 L361 L363 V381 R382 S383	F341-N372 VanDerWaalsContact CZ-ND2 3.31Å; F341-N372 WeakPolarHBondContact CZ-ND2 3.17Å; L361-N372 HydrophobicContact CB-CB 4.22Å; L361-N372 PolarHBondContact N-O 2.95Å; L361-N372 PolarHBondContact O-N 3.17Å; L363-N372 HydrophobicContact CD1-CB 4.17Å; L363-N372 VanDerWaalsContact CD1-ND2 3.33Å; L363-N372 WeakPolarHBondContact CD1-ND2 3.48Å; N372-V381 HydrophobicContact CB-CG1 4.46Å; N372-R382 WeakPolarHBondContact CA-O 3.36Å; N372-S383 WeakPolarHBondContact OD1-CA 3.41Å; N372-S383 WeakPolarHBondContact OD1-CB 3.35Å; N372-S383 PolarHBondContact OD1-OG 3.2Å
373	V	96.7	Very high	93.2	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	122.7	171.8	-174.7	0	0	0	0	107.8	H358 V360 V371 R382 Y420 F422	H358-V373 HydrophobicContact CB-CG1 4.25Å; V360-V373 HydrophobicContact CG2-CG1 4.39Å; V360-V373 HydrophobicContact CG2-CG2 4.4Å; V371-V373 HydrophobicContact CG1-CG2 3.96Å; V373-R382 HydrophobicContact CB-CB 4.47Å; V373-R382 PolarHBondContact N-O 3.01Å; V373-R382 PolarHBondContact O-N 2.95Å; V373-Y420 HydrophobicContact CB-CE1 4.22Å; V373-Y420 HydrophobicContact CG1-CE1 3.81Å; V373-Y420 HydrophobicContact CG2-CD1 3.93Å; V373-Y420 HydrophobicContact CG2-CD2 4.34Å; V373-Y420 HydrophobicContact CG2-CE1 3.66Å; V373-Y420 HydrophobicContact CG2-CE2 4.1Å; V373-Y420 HydrophobicContact CG2-CG 4.25Å; V373-F422 HydrophobicContact CG1-CD1 4.19Å; V373-F422 HydrophobicContact CG1-CE1 3.86Å
374	I	95.9	Very high	93.2	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	123.4	-178.7	-51.6	175.1	0	0	0	108.5	F340 F341 H358 C359 L361 S380 V381	F340-I374 HydrophobicContact CE1-CB 4.39Å; F340-I374 HydrophobicContact CE1-CD1 4.34Å; F340-I374 HydrophobicContact CE1-CG2 3.63Å; F340-I374 HydrophobicContact CE2-CG2 4.45Å; F340-I374 HydrophobicContact CZ-CG2 3.5Å; F340-I374 VanDerWaalsContact CZ-CG2 3.5Å; F341-I374 HydrophobicContact CB-CD1 3.71Å; F341-I374 HydrophobicContact CD1-CD1 3.86Å; F341-I374 HydrophobicContact CD2-CD1 4.02Å; F341-I374 HydrophobicContact CG-CD1 3.57Å; H358-I374 CarbonylContact C-O 3.53Å; H358-I374 WeakPolarHBondContact CA-O 3.4Å; C359-I374 PolarHBondContact N-O 2.95Å; C359-I374 PolarHBondContact O-N 3.23Å; L361-I374 HydrophobicContact CD1-CD1 3.6Å; L361-I374 HydrophobicContact CG-CD1 4.46Å; I374-S380 CarbonylContact C-O 3.57Å; I374-S380 VanDerWaalsContact CA-O 3.27Å; I374-S380 WeakPolarHBondContact CA-O 3.29Å; I374-V381 HydrophobicContact CG1-CG1 4.32Å; I374-V381 HydrophobicContact CG1-CG2 4.22Å; I374-V381 HydrophobicContact CG2-CG2 4.29Å
375	G	95.2	Very high	93.3	Very high	5 Å²	5	46.5 Å²	46.5	5%	0.052	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.9	170.1	0	0	0	0	0	110.8	D379 S380	G375-D379 WeakPolarHBondContact O-CA 3.48Å; G375-D379 PolarHBondContact O-N 2.63Å; G375-S380 PolarHBondContact N-O 2.65Å
376	L	93.6	Very high	93.5	Very high	18 Å²	18	44.8 Å²	44.8	9%	0.094	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-28.5	-175.8	-56	-178.1	0	0	0	112.8	R306 Y311 F340 M354 D357 C359	R306-L376 HydrophobicContact CB-CD1 4.43Å; R306-L376 HydrophobicContact CG-CD1 3.7Å; Y311-L376 HydrophobicContact CD1-CD2 4.46Å; Y311-L376 HydrophobicContact CE1-CD2 3.77Å; F340-L376 HydrophobicContact CE1-CD2 4.17Å; F340-L376 HydrophobicContact CZ-CD2 3.78Å; M354-L376 HydrophobicContact SD-CD1 3.9Å; M354-L376 HydrophobicContact SD-CD2 4.41Å; D357-L376 PolarHBondContact O-N 2.93Å; C359-L376 HydrophobicContact CB-CD2 3.85Å
377	A	90.2	Very high	93.9	Very high	106 Å²	106	43.3 Å²	43.3	88%	0.876	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-12.3	-176.4	0	0	0	0	0	114.8
378	D	91.2	Very high	94.2	Very high	110 Å²	110	47.1 Å²	47.1	59%	0.588	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.8	9.2	-177.6	77.7	-17.7	0	0	0	114.2	S380	D378-S380 VanDerWaalsContact CG-CB 3.48Å; D378-S380 PolarHBondContact O-N 3.01Å; D378-S380 WeakPolarHBondContact OD1-CB 3.45Å; D378-S380 PolarHBondContact OD1-N 2.85Å; D378-S380 VanDerWaalsContact OD1-N 3.08Å; D378-S380 PolarHBondContact OD1-OG 3.16Å; D378-S380 WeakPolarHBondContact OD2-CB 3.45Å; D378-S380 PolarHBondContact OD2-OG 3.13Å; D378-S380 VanDerWaalsContact OD2-OG 3.12Å
379	D	91.9	Very high	94.1	Very high	75 Å²	75	47.7 Å²	47.7	40%	0.401	27%	0.268	S	S	.	.			trans	49.8	20.7	-175.7	-57.6	-8.5	0	0	0	114	R326 F340 G375	R326-D379 IonicContact CZ-OD1 2.71Å; R326-D379 IonicContact CZ-OD2 2.69Å; R326-D379 IonicContact NH1-OD1 3.15Å; R326-D379 PolarHBondContact NH1-OD1 3.12Å; R326-D379 IonicContact NH1-OD2 3.61Å; R326-D379 IonicContact NH2-OD1 2.75Å; R326-D379 PolarHBondContact NH2-OD1 2.82Å; R326-D379 VanDerWaalsContact NH2-OD1 3.16Å; R326-D379 IonicContact NH2-OD2 3.6Å; R326-D379 PolarHBondContact NH2-OD2 2.61Å; F340-D379 HydrophobicContact CE2-CB 4.49Å; F340-D379 WeakPolarHBondContact CE2-OD1 3.28Å; G375-D379 WeakPolarHBondContact O-CA 3.48Å; G375-D379 PolarHBondContact O-N 2.63Å
380	S	94.2	Very high	94	Very high	53 Å²	53	47.5 Å²	47.5	37%	0.371	27%	0.268	S	S	.	.			trans	-80.6	133.3	-170.2	70.9	0	0	0	0	113	I374 G375 D378	I374-S380 CarbonylContact C-O 3.57Å; I374-S380 VanDerWaalsContact CA-O 3.27Å; I374-S380 WeakPolarHBondContact CA-O 3.29Å; G375-S380 PolarHBondContact N-O 2.65Å; D378-S380 VanDerWaalsContact CG-CB 3.48Å; D378-S380 PolarHBondContact O-N 3.01Å; D378-S380 WeakPolarHBondContact OD1-CB 3.45Å; D378-S380 PolarHBondContact OD1-N 2.85Å; D378-S380 VanDerWaalsContact OD1-N 3.08Å; D378-S380 PolarHBondContact OD1-OG 3.16Å; D378-S380 WeakPolarHBondContact OD2-CB 3.45Å; D378-S380 PolarHBondContact OD2-OG 3.13Å; D378-S380 VanDerWaalsContact OD2-OG 3.12Å
381	V	94.9	Very high	93.9	Very high	70 Å²	70	46 Å²	46	42%	0.424	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	118.1	-174.6	-171.9	0	0	0	0	112.3	F341 N372 I374	F341-V381 HydrophobicContact CD2-CG2 3.84Å; F341-V381 HydrophobicContact CE2-CB 4.48Å; F341-V381 HydrophobicContact CE2-CG1 3.88Å; F341-V381 HydrophobicContact CE2-CG2 3.93Å; F341-V381 HydrophobicContact CZ-CG1 4.42Å; N372-V381 HydrophobicContact CB-CG1 4.46Å; I374-V381 HydrophobicContact CG1-CG1 4.32Å; I374-V381 HydrophobicContact CG1-CG2 4.22Å; I374-V381 HydrophobicContact CG2-CG2 4.29Å
382	R	95.3	Very high	93.7	Very high	110 Å²	110	46.5 Å²	46.5	42%	0.415	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	102	171	-176.8	172.8	-63.6	126.4	10.2	110.3	N372 V373 L384 Y420 G425	N372-R382 WeakPolarHBondContact CA-O 3.36Å; V373-R382 HydrophobicContact CB-CB 4.47Å; V373-R382 PolarHBondContact N-O 3.01Å; V373-R382 PolarHBondContact O-N 2.95Å; R382-L384 HydrophobicContact CG-CD2 3.96Å; R382-L384 HydrophobicContact CG-CG 4.31Å; R382-Y420 PolarHBondContact NH1-OH 2.92Å; R382-G425 WeakPolarHBondContact CD-O 3.35Å; R382-G425 VanDerWaalsContact NH1-CA 3.31Å
383	S	95.5	Very high	93.5	Very high	59 Å²	59	46.5 Å²	46.5	41%	0.413	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	120.4	175.5	-168.5	0	0	0	0	111.3	N372	N372-S383 WeakPolarHBondContact OD1-CA 3.41Å; N372-S383 WeakPolarHBondContact OD1-CB 3.35Å; N372-S383 PolarHBondContact OD1-OG 3.2Å
384	L	95.6	Very high	93	Very high	37 Å²	37	46.5 Å²	46.5	19%	0.194	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	116.6	-178.1	-57.8	173.4	0	0	0	109.3	Y370 V371 R382 Y420 L427	Y370-L384 CarbonylContact C-O 3.31Å; Y370-L384 WeakPolarHBondContact CA-O 3.43Å; V371-L384 HydrophobicContact CB-CB 4.43Å; V371-L384 PolarHBondContact N-O 2.64Å; V371-L384 WeakPolarHBondContact O-CB 3.43Å; V371-L384 PolarHBondContact O-N 2.99Å; R382-L384 HydrophobicContact CG-CD2 3.96Å; R382-L384 HydrophobicContact CG-CG 4.31Å; L384-Y420 HydrophobicContact CD1-CD2 3.52Å; L384-Y420 HydrophobicContact CD1-CE2 3.66Å; L384-L427 HydrophobicContact CD1-CB 4.31Å
385	K	95.8	Very high	92.3	Very high	124 Å²	124	48.5 Å²	48.5	54%	0.539	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.7	172.4	-176.8	174.5	176.9	174.9	0	109.9	Y370	Y370-K385 HydrophobicContact CD1-CB 3.85Å; Y370-K385 HydrophobicContact CD1-CG 4.21Å; Y370-K385 HydrophobicContact CE1-CB 3.58Å; Y370-K385 HydrophobicContact CE1-CD 4.05Å; Y370-K385 HydrophobicContact CE1-CG 3.66Å
386	L	95.4	Very high	91.1	Very high	7 Å²	7	50.3 Å²	50.3	4%	0.037	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-88.2	166.7	-177.8	-60.1	-177.4	0	0	0	112.9	L369 V371 F393 F406 L408 L427	L369-L386 HydrophobicContact CB-CB 4.22Å; L369-L386 HydrophobicContact CB-CD1 3.82Å; L369-L386 HydrophobicContact CB-CG 4.46Å; L369-L386 WeakPolarHBondContact O-CB 3.09Å; L369-L386 PolarHBondContact O-N 2.86Å; V371-L386 HydrophobicContact CG2-CD1 4.13Å; V371-L386 HydrophobicContact CG2-CD2 4.39Å; L386-F393 HydrophobicContact CD1-CD1 4.46Å; L386-F393 HydrophobicContact CD1-CE1 3.35Å; L386-F393 HydrophobicContact CD1-CE2 4.46Å; L386-F393 HydrophobicContact CD1-CZ 3.36Å; L386-F406 HydrophobicContact CD1-CE2 4.33Å; L386-F406 HydrophobicContact CD2-CZ 4.42Å; L386-L408 HydrophobicContact CB-CD1 4.13Å; L386-L408 HydrophobicContact CD1-CD1 3.9Å; L386-L408 HydrophobicContact CD1-CD2 3.8Å; L386-L408 HydrophobicContact CD1-CG 4.48Å; L386-L408 HydrophobicContact CD2-CD1 4.39Å; L386-L408 HydrophobicContact CG-CD1 4.38Å; L386-L427 HydrophobicContact CD2-CD2 3.5Å
387	P	91.4	Very high	89.3	Confident	38 Å²	38	51.6 Å²	51.6	25%	0.247	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-56.1	133.8	-179.3	-28.2	37.1	0	0	0	113.1	W389 A390	P387-W389 HydrophobicContact CB-CG 4.31Å; P387-W389 PolarHBondContact O-N 2.81Å; P387-A390 WeakPolarHBondContact O-CB 3.4Å; P387-A390 PolarHBondContact O-N 2.92Å
388	P	89.3	Confident	87.7	Confident	85 Å²	85	48.7 Å²	48.7	55%	0.552	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-19.5	-173.4	-27.3	35.5	0	0	0	116.5	L368 A390 R445	L368-P388 HydrophobicContact CD2-CB 4.28Å; P388-A390 VanDerWaalsContact C-N 3.32Å; P388-R445 PolarHBondContact O-NH2 3.08Å
389	W	89.8	Confident	86	Confident	44 Å²	44	46.3 Å²	46.3	17%	0.167	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-25.1	175.7	66.6	-103.8	0	0	0	112.8	P387 C391 L408 S410 R413 K416 Y418 V443	P387-W389 HydrophobicContact CB-CG 4.31Å; P387-W389 PolarHBondContact O-N 2.81Å; W389-C391 PolarHBondContact O-SG 2.78Å; W389-L408 HydrophobicContact CH2-CB 3.76Å; W389-L408 WeakPolarHBondContact CH2-O 3.25Å; W389-L408 HydrophobicContact CZ2-CB 4.42Å; W389-L408 HydrophobicContact CZ3-CB 4.3Å; W389-S410 WeakPolarHBondContact O-CB 3.28Å; W389-R413 VanDerWaalsContact CZ3-CD 3.49Å; W389-K416 HydrophobicContact CH2-CB 4.3Å; W389-Y418 HydrophobicContact CZ2-CE2 4.31Å; W389-V443 HydrophobicContact CB-CG2 4.47Å
390	A	92.6	Very high	84.9	Confident	2 Å²	2	45.3 Å²	45.3	2%	0.017	25%	0.25	C	S	.	.			trans	-68.8	135.6	-177.3	0	0	0	0	0	110.7	L369 P387 P388 L408 R445	L369-A390 HydrophobicContact CD1-CB 3.98Å; P387-A390 WeakPolarHBondContact O-CB 3.4Å; P387-A390 PolarHBondContact O-N 2.92Å; P388-A390 VanDerWaalsContact C-N 3.32Å; A390-L408 HydrophobicContact CB-CB 4.01Å; A390-L408 HydrophobicContact CB-CD1 4Å; A390-L408 HydrophobicContact CB-CD2 4.42Å; A390-L408 HydrophobicContact CB-CG 4.38Å; A390-R445 PolarHBondContact O-NH2 3.37Å
391	C	94.1	Very high	84	Confident	7 Å²	7	47.2 Å²	47.2	5%	0.047	26%	0.262	C	S	.	.			trans	-129.2	-27.9	-174.5	-64.2	0	0	0	0	113	W389 C409 R445 M488	W389-C391 PolarHBondContact O-SG 2.78Å; C391-C409 PolarHBondContact N-O 3.3Å; C391-R445 PolarHBondContact SG-NH2 2.97Å; C391-R445 VanDerWaalsContact SG-NH2 3.43Å; C391-M488 HydrophobicContact CB-CB 3.78Å; C391-M488 HydrophobicContact CB-CE 4.19Å; C391-M488 HydrophobicContact CB-CG 4.42Å; C391-M488 HydrophobicContact CB-SD 3.9Å
392	G	92.4	Very high	83.5	Confident	9 Å²	9	51 Å²	51	9%	0.093	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	161.1	168.5	0	0	0	0	0	112.1	C409	G392-C409 PolarHBondContact N-O 3.41Å; G392-C409 VanDerWaalsContact N-O 3.17Å; G392-C409 PolarHBondContact O-N 2.82Å
393	F	91.9	Very high	83.2	Confident	12 Å²	12	47.2 Å²	47.2	5%	0.053	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	151.8	163.5	-75.4	-82.4	0	0	0	109.3	Y31 I350 F362 L369 V371 L386 M395 F406 Q407 L408	Y31-F393 PolarHBondContact OH-O 3.16Å; Y31-F393 VanDerWaalsContact OH-O 3.12Å; I350-F393 HydrophobicContact CB-CD2 4.5Å; I350-F393 HydrophobicContact CD1-CD2 3.77Å; I350-F393 HydrophobicContact CD1-CE2 4.09Å; I350-F393 HydrophobicContact CG2-CD2 4.22Å; F362-F393 HydrophobicContact CB-CD2 4.36Å; F362-F393 HydrophobicContact CB-CE2 4.1Å; F362-F393 HydrophobicContact CB-CZ 4.23Å; F362-F393 AromaticContact CD1-CD1 3.78Å; F362-F393 HydrophobicContact CD1-CD1 3.78Å; F362-F393 AromaticContact CD1-CE1 3.5Å; F362-F393 HydrophobicContact CD1-CE1 3.5Å; F362-F393 VanDerWaalsContact CD1-CE1 3.5Å; F362-F393 HydrophobicContact CD1-CE2 4.42Å; F362-F393 HydrophobicContact CD1-CG 4.37Å; F362-F393 AromaticContact CD1-CZ 3.84Å; F362-F393 HydrophobicContact CD1-CZ 3.84Å; F362-F393 HydrophobicContact CE1-CD1 4.3Å; F362-F393 HydrophobicContact CE1-CE1 4.13Å; L369-F393 HydrophobicContact CB-CE2 3.86Å; L369-F393 HydrophobicContact CB-CZ 3.99Å; L369-F393 HydrophobicContact CD1-CD2 3.99Å; L369-F393 HydrophobicContact CD1-CE2 4Å; L369-F393 HydrophobicContact CD1-CG 4.43Å; L369-F393 HydrophobicContact CD1-CZ 4.44Å; L369-F393 HydrophobicContact CD2-CD2 4.22Å; L369-F393 HydrophobicContact CD2-CE2 3.97Å; L369-F393 HydrophobicContact CG-CE2 4.15Å; V371-F393 HydrophobicContact CG2-CE1 3.93Å; V371-F393 HydrophobicContact CG2-CZ 4.05Å; L386-F393 HydrophobicContact CD1-CD1 4.46Å; L386-F393 HydrophobicContact CD1-CE1 3.35Å; L386-F393 HydrophobicContact CD1-CE2 4.46Å; L386-F393 HydrophobicContact CD1-CZ 3.36Å; F393-M395 HydrophobicContact CB-CE 3.45Å; F393-M395 VanDerWaalsContact CB-CE 3.45Å; F393-M395 HydrophobicContact CB-SD 3.9Å; F393-M395 HydrophobicContact CD1-CE 4.15Å; F393-M395 HydrophobicContact CD1-SD 4.36Å; F393-M395 HydrophobicContact CD2-CE 4.21Å; F393-M395 HydrophobicContact CG-CE 3.73Å; F393-M395 HydrophobicContact CG-SD 4.37Å; F393-F406 AromaticContact CD1-CD2 3.84Å; F393-F406 HydrophobicContact CD1-CD2 3.84Å; F393-F406 HydrophobicContact CD1-CE2 4.17Å; F393-F406 AromaticContact CE1-CD2 4Å; F393-F406 HydrophobicContact CE1-CD2 4Å; F393-F406 AromaticContact CE1-CE2 3.86Å; F393-F406 HydrophobicContact CE1-CE2 3.86Å; F393-Q407 CarbonylContact C-O 3.57Å; F393-Q407 WeakPolarHBondContact CA-O 3.4Å; F393-L408 HydrophobicContact CD1-CD2 3.42Å; F393-L408 VanDerWaalsContact CD1-CD2 3.42Å; F393-L408 HydrophobicContact CE1-CD2 3.62Å; F393-L408 HydrophobicContact CG-CD2 4.15Å; F393-L408 HydrophobicContact CZ-CD2 4.5Å
394	I	87	Confident	83	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	114.6	162.6	-50	-171.4	0	0	0	104.7	Y31 F406 Q407 C409 P415	Y31-I394 HydrophobicContact CD2-CD1 4.49Å; Y31-I394 HydrophobicContact CE1-CG2 4.13Å; Y31-I394 HydrophobicContact CE2-CB 4.44Å; Y31-I394 HydrophobicContact CE2-CD1 3.83Å; Y31-I394 HydrophobicContact CE2-CG1 3.85Å; Y31-I394 HydrophobicContact CE2-CG2 4.03Å; I394-F406 CarbonylContact O-C 3.45Å; I394-F406 WeakPolarHBondContact O-CA 3.43Å; I394-Q407 HydrophobicContact CB-CB 3.91Å; I394-Q407 HydrophobicContact CB-CG 4.03Å; I394-Q407 HydrophobicContact CG1-CB 4.39Å; I394-Q407 HydrophobicContact CG2-CG 4.28Å; I394-Q407 PolarHBondContact N-O 3.1Å; I394-Q407 PolarHBondContact O-N 3.14Å; I394-C409 HydrophobicContact CD1-CB 4.31Å; I394-P415 HydrophobicContact CD1-CB 3.86Å; I394-P415 HydrophobicContact CD1-CG 3.54Å
395	M	81.8	Confident	82.8	Confident	43 Å²	43	43.8 Å²	43.8	21%	0.212	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	140.6	177.2	-52.9	-38.9	175.4	0	0	108.9	I350 D351 F362 F393 F406	I350-M395 HydrophobicContact CG2-CE 4.17Å; D351-M395 HydrophobicContact CB-CE 3.69Å; D351-M395 WeakPolarHBondContact OD2-CG 3.27Å; F362-M395 HydrophobicContact CB-CE 3.47Å; F362-M395 VanDerWaalsContact CB-CE 3.47Å; F362-M395 HydrophobicContact CD1-CE 3.55Å; F362-M395 HydrophobicContact CD1-SD 3.84Å; F362-M395 HydrophobicContact CD2-CE 3.7Å; F362-M395 HydrophobicContact CD2-SD 4.15Å; F362-M395 HydrophobicContact CE1-CE 4.11Å; F362-M395 HydrophobicContact CE1-SD 3.76Å; F362-M395 HydrophobicContact CE2-CE 4.23Å; F362-M395 HydrophobicContact CE2-SD 4.07Å; F362-M395 HydrophobicContact CG-CE 3.28Å; F362-M395 HydrophobicContact CG-SD 4.01Å; F362-M395 HydrophobicContact CZ-CE 4.4Å; F362-M395 HydrophobicContact CZ-SD 3.85Å; F393-M395 HydrophobicContact CB-CE 3.45Å; F393-M395 VanDerWaalsContact CB-CE 3.45Å; F393-M395 HydrophobicContact CB-SD 3.9Å; F393-M395 HydrophobicContact CD1-CE 4.15Å; F393-M395 HydrophobicContact CD1-SD 4.36Å; F393-M395 HydrophobicContact CD2-CE 4.21Å; F393-M395 HydrophobicContact CG-CE 3.73Å; F393-M395 HydrophobicContact CG-SD 4.37Å; M395-F406 HydrophobicContact SD-CB 4.2Å
396	D	69.4	Low	82.5	Confident	43 Å²	43	37.9 Å²	37.9	23%	0.23	21%	0.213	C	C	.	.			trans	-84.8	131.5	168.6	-172.4	-9.1	0	0	0	107.8	N398 P405	D396-N398 WeakPolarHBondContact OD1-CB 3.13Å; D396-N398 PolarHBondContact OD1-N 2.82Å; D396-P405 HydrophobicContact CB-CB 3.95Å; D396-P405 HydrophobicContact CB-CG 3.9Å; D396-P405 WeakPolarHBondContact OD2-CB 3.25Å
397	T	56.8	Low	82.3	Confident	46 Å²	46	38.2 Å²	38.2	28%	0.282	22%	0.215	S	C	.	.			trans	-84.9	-15.4	-179.8	47.7	0	0	0	0	112.5	D35 S399	D35-T397 WeakPolarHBondContact O-CB 3.3Å; D35-T397 WeakPolarHBondContact O-CG2 3.32Å; T397-S399 PolarHBondContact O-N 2.87Å
398	N	55.7	Low	82.3	Confident	45 Å²	45	36.4 Å²	36.4	24%	0.241	20%	0.203	C	C	.	.	S	Bend	trans	-70.5	124.9	-177.8	-96.2	-40.1	0	0	0	112.3	E114 D396 D400	E114-N398 PolarHBondContact OE1-ND2 2.84Å; E114-N398 PolarHBondContact OE1-OD1 2.89Å; D396-N398 WeakPolarHBondContact OD1-CB 3.13Å; D396-N398 PolarHBondContact OD1-N 2.82Å; N398-D400 PolarHBondContact O-N 2.88Å; N398-D400 VanDerWaalsContact O-N 3.11Å
399	S	56	Low	82.4	Confident	59 Å²	59	32.4 Å²	32.4	41%	0.413	18%	0.177	S	C	.	.			trans	-85.2	85.4	-171.5	54	0	0	0	0	113.5	Y37 T397 P401	Y37-S399 WeakPolarHBondContact O-CB 3.48Å; Y37-S399 PolarHBondContact O-OG 3.17Å; T397-S399 PolarHBondContact O-N 2.87Å; S399-P401 VanDerWaalsContact O-CD 3.23Å; S399-P401 WeakPolarHBondContact O-CD 3.44Å
400	D	69.1	Low	82.6	Confident	54 Å²	54	30.4 Å²	30.4	29%	0.289	17%	0.169	S	C	.	.			trans	-81.5	110.3	159.6	-170.6	-22.5	0	0	0	110.1	N398 K402 N403	N398-D400 PolarHBondContact O-N 2.88Å; N398-D400 VanDerWaalsContact O-N 3.11Å; D400-K402 PolarHBondContact O-N 3.2Å; D400-K402 VanDerWaalsContact O-N 3.07Å; D400-K402 WeakPolarHBondContact OD1-CA 3.44Å; D400-K402 WeakPolarHBondContact OD1-CB 3.29Å; D400-K402 PolarHBondContact OD1-N 3.4Å; D400-N403 HydrophobicContact CB-CB 4.28Å; D400-N403 PolarHBondContact O-N 3.07Å; D400-N403 PolarHBondContact OD1-N 3Å; D400-N403 PolarHBondContact OD2-ND2 3.31Å
401	P	75.5	Confident	82.6	Confident	94 Å²	94	30.3 Å²	30.3	61%	0.61	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71	-1.8	179.2	30.5	-36.4	0	0	0	114	S399	S399-P401 VanDerWaalsContact O-CD 3.23Å; S399-P401 WeakPolarHBondContact O-CD 3.44Å
402	K	83	Confident	82.4	Confident	150 Å²	150	30 Å²	30	65%	0.652	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.8	-13	-177.4	-55.6	166.1	-170	155.6	0	113.4	D400 F422	D400-K402 PolarHBondContact O-N 3.2Å; D400-K402 VanDerWaalsContact O-N 3.07Å; D400-K402 WeakPolarHBondContact OD1-CA 3.44Å; D400-K402 WeakPolarHBondContact OD1-CB 3.29Å; D400-K402 PolarHBondContact OD1-N 3.4Å; K402-F422 VanDerWaalsContact C-CD2 3.48Å; K402-F422 VanDerWaalsContact O-CD2 3.26Å; K402-F422 WeakPolarHBondContact O-CD2 3.48Å; K402-F422 PolarHBondContact O-N 3.33Å
403	N	89.4	Confident	82.2	Confident	30 Å²	30	30.3 Å²	30.3	16%	0.16	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	152.5	-176.2	-57.2	-54.1	0	0	0	110.3	F355 D400 P405 T419 Y420 K421	F355-N403 WeakPolarHBondContact CE1-O 3.5Å; D400-N403 HydrophobicContact CB-CB 4.28Å; D400-N403 PolarHBondContact O-N 3.07Å; D400-N403 PolarHBondContact OD1-N 3Å; D400-N403 PolarHBondContact OD2-ND2 3.31Å; N403-P405 VanDerWaalsContact O-CD 3.29Å; N403-P405 WeakPolarHBondContact O-CD 3.45Å; N403-T419 HydrophobicContact CB-CG2 3.67Å; N403-Y420 CarbonylContact C-O 3.51Å; N403-Y420 WeakPolarHBondContact CA-O 3.49Å; N403-K421 VanDerWaalsContact OD1-CA 3.32Å; N403-K421 WeakPolarHBondContact OD1-CA 3.41Å; N403-K421 VanDerWaalsContact OD1-CB 3.3Å; N403-K421 WeakPolarHBondContact OD1-CB 3.32Å; N403-K421 WeakPolarHBondContact OD1-CG 3.24Å
404	C	91.5	Very high	81.9	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.007	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	93.3	173.1	176.8	0	0	0	0	108.3	F355 V360 Y420 F422	F355-C404 HydrophobicContact CE1-CB 4.26Å; F355-C404 HydrophobicContact CE2-CB 3.95Å; F355-C404 HydrophobicContact CZ-CB 3.58Å; V360-C404 HydrophobicContact CG2-CB 4.47Å; C404-Y420 PolarHBondContact N-O 2.8Å; C404-Y420 PolarHBondContact O-N 3.24Å; C404-F422 HydrophobicContact CB-CE2 4.15Å; C404-F422 HydrophobicContact CB-CZ 3.89Å
405	P	90.6	Very high	81.9	Confident	23 Å²	23	31.7 Å²	31.7	15%	0.149	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	145.4	172.8	29	-30.2	0	0	0	111.5	D396 N403	D396-P405 HydrophobicContact CB-CB 3.95Å; D396-P405 HydrophobicContact CB-CG 3.9Å; D396-P405 WeakPolarHBondContact OD2-CB 3.25Å; N403-P405 VanDerWaalsContact O-CD 3.29Å; N403-P405 WeakPolarHBondContact O-CD 3.45Å
406	F	90.8	Very high	82.2	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	170.3	170.6	59.3	-88.9	0	0	0	109.4	F362 V371 L386 F393 I394 M395 L408 Y418 L427	F362-F406 HydrophobicContact CE1-CB 4.15Å; F362-F406 AromaticContact CE1-CD1 3.7Å; F362-F406 HydrophobicContact CE1-CD1 3.7Å; F362-F406 HydrophobicContact CE1-CD2 4.43Å; F362-F406 HydrophobicContact CE1-CE1 4.12Å; F362-F406 AromaticContact CE1-CG 3.85Å; F362-F406 HydrophobicContact CE1-CG 3.85Å; F362-F406 HydrophobicContact CZ-CB 4.5Å; F362-F406 HydrophobicContact CZ-CD1 4.19Å; V371-F406 HydrophobicContact CG2-CE1 4.1Å; V371-F406 HydrophobicContact CG2-CE2 4.42Å; V371-F406 HydrophobicContact CG2-CZ 3.77Å; L386-F406 HydrophobicContact CD1-CE2 4.33Å; L386-F406 HydrophobicContact CD2-CZ 4.42Å; F393-F406 AromaticContact CD1-CD2 3.84Å; F393-F406 HydrophobicContact CD1-CD2 3.84Å; F393-F406 HydrophobicContact CD1-CE2 4.17Å; F393-F406 AromaticContact CE1-CD2 4Å; F393-F406 HydrophobicContact CE1-CD2 4Å; F393-F406 AromaticContact CE1-CE2 3.86Å; F393-F406 HydrophobicContact CE1-CE2 3.86Å; I394-F406 CarbonylContact O-C 3.45Å; I394-F406 WeakPolarHBondContact O-CA 3.43Å; M395-F406 HydrophobicContact SD-CB 4.2Å; F406-L408 HydrophobicContact CD2-CD2 4.01Å; F406-L408 HydrophobicContact CD2-CG 4.23Å; F406-L408 HydrophobicContact CE2-CD1 4.31Å; F406-L408 HydrophobicContact CE2-CD2 3.86Å; F406-L408 HydrophobicContact CE2-CG 3.96Å; F406-Y418 HydrophobicContact CE2-CG 4.41Å; F406-Y418 PolarHBondContact N-O 3.4Å; F406-Y418 CarbonylContact O-C 3.48Å; F406-Y418 PolarHBondContact O-N 3.06Å; F406-L427 HydrophobicContact CE1-CD1 3.62Å; F406-L427 HydrophobicContact CZ-CD1 3.48Å; F406-L427 VanDerWaalsContact CZ-CD1 3.48Å; F406-L427 HydrophobicContact CZ-CD2 4.19Å; F406-L427 HydrophobicContact CZ-CG 4.48Å
407	Q	90.8	Very high	83	Confident	14 Å²	14	32.8 Å²	32.8	7%	0.065	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	152	174.6	-23	178.4	6.8	0	0	110.8	F393 I394 P415 K416 Y417	F393-Q407 CarbonylContact C-O 3.57Å; F393-Q407 WeakPolarHBondContact CA-O 3.4Å; I394-Q407 HydrophobicContact CB-CB 3.91Å; I394-Q407 HydrophobicContact CB-CG 4.03Å; I394-Q407 HydrophobicContact CG1-CB 4.39Å; I394-Q407 HydrophobicContact CG2-CG 4.28Å; I394-Q407 PolarHBondContact N-O 3.1Å; I394-Q407 PolarHBondContact O-N 3.14Å; Q407-P415 HydrophobicContact CB-CB 4.09Å; Q407-K416 CarbonylContact C-O 3.57Å; Q407-K416 WeakPolarHBondContact CA-O 3.35Å; Q407-Y417 HydrophobicContact CG-CD1 3.85Å; Q407-Y417 HydrophobicContact CG-CE1 3.86Å; Q407-Y417 HydrophobicContact CG-CG 4.33Å; Q407-Y417 VanDerWaalsContact NE2-CZ 3.27Å; Q407-Y417 PolarHBondContact NE2-OH 3.27Å
408	L	91.9	Very high	84.7	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	136.4	173.1	-61.7	-179.3	0	0	0	110.5	L369 L386 W389 A390 F393 F406 P415 K416 Y418	L369-L408 HydrophobicContact CD1-CD2 4.22Å; L386-L408 HydrophobicContact CB-CD1 4.13Å; L386-L408 HydrophobicContact CD1-CD1 3.9Å; L386-L408 HydrophobicContact CD1-CD2 3.8Å; L386-L408 HydrophobicContact CD1-CG 4.48Å; L386-L408 HydrophobicContact CD2-CD1 4.39Å; L386-L408 HydrophobicContact CG-CD1 4.38Å; W389-L408 HydrophobicContact CH2-CB 3.76Å; W389-L408 WeakPolarHBondContact CH2-O 3.25Å; W389-L408 HydrophobicContact CZ2-CB 4.42Å; W389-L408 HydrophobicContact CZ3-CB 4.3Å; A390-L408 HydrophobicContact CB-CB 4.01Å; A390-L408 HydrophobicContact CB-CD1 4Å; A390-L408 HydrophobicContact CB-CD2 4.42Å; A390-L408 HydrophobicContact CB-CG 4.38Å; F393-L408 HydrophobicContact CD1-CD2 3.42Å; F393-L408 VanDerWaalsContact CD1-CD2 3.42Å; F393-L408 HydrophobicContact CE1-CD2 3.62Å; F393-L408 HydrophobicContact CG-CD2 4.15Å; F393-L408 HydrophobicContact CZ-CD2 4.5Å; F406-L408 HydrophobicContact CD2-CD2 4.01Å; F406-L408 HydrophobicContact CD2-CG 4.23Å; F406-L408 HydrophobicContact CE2-CD1 4.31Å; F406-L408 HydrophobicContact CE2-CD2 3.86Å; F406-L408 HydrophobicContact CE2-CG 3.96Å; L408-P415 CarbonylContact O-C 3.56Å; L408-P415 WeakPolarHBondContact O-CA 3.39Å; L408-K416 PolarHBondContact N-O 2.88Å; L408-K416 PolarHBondContact O-N 3.46Å; L408-Y418 HydrophobicContact CB-CD2 4.06Å; L408-Y418 HydrophobicContact CB-CE2 3.88Å; L408-Y418 HydrophobicContact CD1-CD2 3.72Å; L408-Y418 HydrophobicContact CD1-CE2 3.6Å; L408-Y418 HydrophobicContact CD1-CG 4.37Å; L408-Y418 HydrophobicContact CG-CD2 3.69Å; L408-Y418 HydrophobicContact CG-CE2 3.86Å
409	C	90.9	Very high	86.4	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	167.4	-176.8	63.4	0	0	0	0	111.9	C391 G392 I394 P415	C391-C409 PolarHBondContact N-O 3.3Å; G392-C409 PolarHBondContact N-O 3.41Å; G392-C409 VanDerWaalsContact N-O 3.17Å; G392-C409 PolarHBondContact O-N 2.82Å; I394-C409 HydrophobicContact CD1-CB 4.31Å; C409-P415 HydrophobicContact CB-CG 4.4Å
410	S	92.8	Very high	88.2	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	166.4	163.8	81.8	0	0	0	0	109.4	W389 I412 R413 M488 F490	W389-S410 WeakPolarHBondContact O-CB 3.28Å; S410-I412 PolarHBondContact O-N 3.33Å; S410-R413 PolarHBondContact N-O 3.13Å; S410-R413 PolarHBondContact O-N 2.91Å; S410-R413 VanDerWaalsContact O-N 3.07Å; S410-R413 WeakPolarHBondContact OG-CB 3.4Å; S410-R413 PolarHBondContact OG-N 3.34Å; S410-M488 CarbonylContact C-O 3.57Å; S410-M488 WeakPolarHBondContact CA-O 3.29Å; S410-F490 VanDerWaalsContact O-CA 3.29Å; S410-F490 WeakPolarHBondContact O-CA 2.8Å
411	P	92.4	Very high	89.3	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-35.1	-175.4	-29.8	37.2	0	0	0	114.6	F461 M488 N489 F490 R491 R494 Y506	P411-F461 VanDerWaalsContact CD-CZ 3.46Å; P411-F461 HydrophobicContact CG-CE2 3.82Å; P411-F461 HydrophobicContact CG-CZ 3.88Å; P411-M488 VanDerWaalsContact CD-O 3.28Å; P411-M488 WeakPolarHBondContact CD-O 3.41Å; P411-M488 HydrophobicContact CG-CB 4.02Å; P411-M488 HydrophobicContact CG-CG 4.17Å; P411-N489 WeakPolarHBondContact CA-O 3.26Å; P411-F490 WeakPolarHBondContact O-CD2 3.41Å; P411-R491 PolarHBondContact O-N 3.21Å; P411-R491 VanDerWaalsContact O-N 3.14Å; P411-R494 HydrophobicContact CB-CB 4.34Å; P411-Y506 HydrophobicContact CB-CE2 4.12Å; P411-Y506 VanDerWaalsContact CB-OH 3.29Å; P411-Y506 WeakPolarHBondContact CB-OH 3.4Å; P411-Y506 HydrophobicContact CG-CE1 4.19Å; P411-Y506 HydrophobicContact CG-CE2 3.7Å; P411-Y506 WeakPolarHBondContact CG-OH 3.33Å
412	I	90.8	Very high	90.1	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.01	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-9.5	-176.4	66.2	176.1	0	0	0	114	S410 I437 S441 F461 R494 R495 V498 L504	S410-I412 PolarHBondContact O-N 3.33Å; I412-I437 HydrophobicContact CB-CD1 3.92Å; I412-I437 HydrophobicContact CD1-CD1 4.14Å; I412-I437 HydrophobicContact CD1-CG1 4.12Å; I412-I437 HydrophobicContact CG1-CD1 4.24Å; I412-I437 HydrophobicContact CG1-CG1 4.46Å; I412-S441 VanDerWaalsContact CD1-OG 3.25Å; I412-S441 WeakPolarHBondContact CD1-OG 3.38Å; I412-F461 HydrophobicContact CD1-CB 4.28Å; I412-F461 HydrophobicContact CD1-CD1 3.67Å; I412-F461 HydrophobicContact CD1-CG 4.36Å; I412-F461 HydrophobicContact CG1-CD1 3.98Å; I412-F461 HydrophobicContact CG1-CE1 4.41Å; I412-R494 HydrophobicContact CG2-CB 4.47Å; I412-R495 HydrophobicContact CB-CB 4.45Å; I412-V498 HydrophobicContact CD1-CG1 4.33Å; I412-V498 HydrophobicContact CG2-CB 4.2Å; I412-V498 HydrophobicContact CG2-CG2 3.83Å; I412-L504 HydrophobicContact CG2-CD1 4.2Å
413	R	87.9	Confident	90.5	Very high	15 Å²	15	21.1 Å²	21.1	6%	0.057	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	122.4	-178	-164.1	-165.2	-170.1	137.9	18.5	110.9	W389 S410 I437 T438 F490	W389-R413 VanDerWaalsContact CZ3-CD 3.49Å; S410-R413 PolarHBondContact N-O 3.13Å; S410-R413 PolarHBondContact O-N 2.91Å; S410-R413 VanDerWaalsContact O-N 3.07Å; S410-R413 WeakPolarHBondContact OG-CB 3.4Å; S410-R413 PolarHBondContact OG-N 3.34Å; R413-I437 HydrophobicContact CB-CG2 4.38Å; R413-I437 HydrophobicContact CG-CG2 4.28Å; R413-T438 VanDerWaalsContact CZ-OG1 3.3Å; R413-T438 PolarHBondContact NH2-OG1 2.91Å; R413-F490 WeakPolarHBondContact O-CB 3.39Å
414	P	86.4	Confident	90.7	Very high	33 Å²	33	24.5 Å²	24.5	21%	0.214	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	156.1	169.9	-25.8	33.6	0	0	0	112.6	D435 F490	P414-D435 VanDerWaalsContact CD-OD2 3.27Å; P414-D435 WeakPolarHBondContact CD-OD2 3.38Å; P414-F490 HydrophobicContact CB-CD1 4.26Å; P414-F490 HydrophobicContact CB-CE1 4.3Å; P414-F490 HydrophobicContact CG-CD1 4.27Å; P414-F490 HydrophobicContact CG-CD2 4.41Å; P414-F490 HydrophobicContact CG-CE1 3.88Å; P414-F490 HydrophobicContact CG-CE2 4.04Å; P414-F490 HydrophobicContact CG-CZ 3.77Å
415	P	86.9	Confident	90.7	Very high	11 Å²	11	25.3 Å²	25.3	7%	0.071	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	148	176.8	-23.4	34.2	0	0	0	113.1	L28 H30 I394 Q407 L408 C409	L28-P415 HydrophobicContact CD2-CB 4.39Å; H30-P415 WeakPolarHBondContact NE2-CG 3.23Å; I394-P415 HydrophobicContact CD1-CB 3.86Å; I394-P415 HydrophobicContact CD1-CG 3.54Å; Q407-P415 HydrophobicContact CB-CB 4.09Å; L408-P415 CarbonylContact O-C 3.56Å; L408-P415 WeakPolarHBondContact O-CA 3.39Å; C409-P415 HydrophobicContact CB-CG 4.4Å
416	K	86.8	Confident	90.8	Very high	23 Å²	23	30.2 Å²	30.2	10%	0.1	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	128.5	167.3	-80.4	-159.7	138.5	-159.3	0	110.2	W389 Q407 L408 Y418 E429 G432 H433	W389-K416 HydrophobicContact CH2-CB 4.3Å; Q407-K416 CarbonylContact C-O 3.57Å; Q407-K416 WeakPolarHBondContact CA-O 3.35Å; L408-K416 PolarHBondContact N-O 2.88Å; L408-K416 PolarHBondContact O-N 3.46Å; K416-Y418 HydrophobicContact CB-CE2 3.9Å; K416-Y418 WeakPolarHBondContact O-CD2 3.32Å; K416-E429 IonicContact NZ-OE1 3.24Å; K416-E429 PolarHBondContact NZ-OE1 2.85Å; K416-G432 PolarHBondContact NZ-O 2.93Å; K416-H433 PolarHBondContact NZ-O 2.81Å
417	Y	87.9	Confident	90.9	Very high	87 Å²	87	32.6 Å²	32.6	34%	0.341	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	137.3	175.5	-70.4	-91.8	0	0	0	112.2	L28 Q407 E430	L28-Y417 HydrophobicContact CD2-CD2 4.46Å; L28-Y417 HydrophobicContact CD2-CE2 3.73Å; Q407-Y417 HydrophobicContact CG-CD1 3.85Å; Q407-Y417 HydrophobicContact CG-CE1 3.86Å; Q407-Y417 HydrophobicContact CG-CG 4.33Å; Q407-Y417 VanDerWaalsContact NE2-CZ 3.27Å; Q407-Y417 PolarHBondContact NE2-OH 3.27Å; Y417-E430 PolarHBondContact O-N 3.49Å
418	Y	91.3	Very high	90.9	Very high	8 Å²	8	35.2 Å²	35.2	3%	0.031	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	134.1	174.2	-72.6	-90.7	0	0	0	109.5	W389 F406 L408 K416 L427 F428 E429	W389-Y418 HydrophobicContact CZ2-CE2 4.31Å; F406-Y418 HydrophobicContact CE2-CG 4.41Å; F406-Y418 PolarHBondContact N-O 3.4Å; F406-Y418 CarbonylContact O-C 3.48Å; F406-Y418 PolarHBondContact O-N 3.06Å; L408-Y418 HydrophobicContact CB-CD2 4.06Å; L408-Y418 HydrophobicContact CB-CE2 3.88Å; L408-Y418 HydrophobicContact CD1-CD2 3.72Å; L408-Y418 HydrophobicContact CD1-CE2 3.6Å; L408-Y418 HydrophobicContact CD1-CG 4.37Å; L408-Y418 HydrophobicContact CG-CD2 3.69Å; L408-Y418 HydrophobicContact CG-CE2 3.86Å; K416-Y418 HydrophobicContact CB-CE2 3.9Å; K416-Y418 WeakPolarHBondContact O-CD2 3.32Å; Y418-L427 HydrophobicContact CD1-CD2 4Å; Y418-L427 HydrophobicContact CD1-CG 4.17Å; Y418-F428 CarbonylContact C-O 3.56Å; Y418-F428 WeakPolarHBondContact CA-O 3.44Å; Y418-E429 HydrophobicContact CD1-CB 3.86Å; Y418-E429 HydrophobicContact CD1-CG 4.16Å; Y418-E429 HydrophobicContact CE1-CB 3.47Å; Y418-E429 VanDerWaalsContact CE1-CB 3.47Å; Y418-E429 HydrophobicContact CE1-CG 3.55Å; Y418-E429 WeakPolarHBondContact CE1-OE2 3.29Å; Y418-E429 HydrophobicContact CE2-CG 4.41Å; Y418-E429 VanDerWaalsContact CZ-OE2 3.31Å; Y418-E429 PolarHBondContact OH-OE2 3.44Å
419	T	91.8	Very high	90.8	Very high	10 Å²	10	39.6 Å²	39.6	6%	0.061	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	116.7	-178.1	-60.1	0	0	0	0	109.4	N403 K421 F428 E430	N403-T419 HydrophobicContact CB-CG2 3.67Å; T419-K421 HydrophobicContact CG2-CG 4.13Å; T419-F428 PolarHBondContact N-O 2.8Å; T419-F428 PolarHBondContact O-N 3.2Å; T419-E430 WeakPolarHBondContact CB-OE1 3.47Å; T419-E430 PolarHBondContact OG1-OE1 2.92Å
420	Y	93	Very high	90.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.6	171.6	178.3	-93.3	0	0	0	110	V373 R382 L384 N403 C404 F422 K426 L427	V373-Y420 HydrophobicContact CB-CE1 4.22Å; V373-Y420 HydrophobicContact CG1-CE1 3.81Å; V373-Y420 HydrophobicContact CG2-CD1 3.93Å; V373-Y420 HydrophobicContact CG2-CD2 4.34Å; V373-Y420 HydrophobicContact CG2-CE1 3.66Å; V373-Y420 HydrophobicContact CG2-CE2 4.1Å; V373-Y420 HydrophobicContact CG2-CG 4.25Å; R382-Y420 PolarHBondContact NH1-OH 2.92Å; L384-Y420 HydrophobicContact CD1-CD2 3.52Å; L384-Y420 HydrophobicContact CD1-CE2 3.66Å; N403-Y420 CarbonylContact C-O 3.51Å; N403-Y420 WeakPolarHBondContact CA-O 3.49Å; C404-Y420 PolarHBondContact N-O 2.8Å; C404-Y420 PolarHBondContact O-N 3.24Å; Y420-F422 AromaticContact CD1-CD1 3.99Å; Y420-F422 HydrophobicContact CD1-CD1 3.99Å; Y420-F422 AromaticContact CD1-CE1 3.92Å; Y420-F422 HydrophobicContact CD1-CE1 3.92Å; Y420-F422 HydrophobicContact CD1-CG 4.5Å; Y420-F422 HydrophobicContact CD1-CZ 4.4Å; Y420-F422 AromaticContact CE1-CD1 3.51Å; Y420-F422 HydrophobicContact CE1-CD1 3.51Å; Y420-F422 AromaticContact CE1-CE1 3.77Å; Y420-F422 HydrophobicContact CE1-CE1 3.77Å; Y420-F422 HydrophobicContact CE1-CG 4.2Å; Y420-K426 VanDerWaalsContact CD2-C 3.4Å; Y420-K426 WeakPolarHBondContact CD2-O 3.49Å; Y420-L427 HydrophobicContact CD2-CB 4.41Å
421	K	92.9	Very high	88.8	Confident	57 Å²	57	51 Å²	51	25%	0.248	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	112.8	-175.9	-56.7	-165.7	171.9	-174.8	0	110.4	N403 T419 A423 E424 G425 K426 F428	N403-K421 VanDerWaalsContact OD1-CA 3.32Å; N403-K421 WeakPolarHBondContact OD1-CA 3.41Å; N403-K421 VanDerWaalsContact OD1-CB 3.3Å; N403-K421 WeakPolarHBondContact OD1-CB 3.32Å; N403-K421 WeakPolarHBondContact OD1-CG 3.24Å; T419-K421 HydrophobicContact CG2-CG 4.13Å; K421-A423 PolarHBondContact O-N 3.06Å; K421-E424 HydrophobicContact CB-CB 4.13Å; K421-E424 HydrophobicContact CB-CG 4.27Å; K421-E424 WeakPolarHBondContact CD-OE1 3.22Å; K421-E424 IonicContact NZ-OE1 3.09Å; K421-E424 PolarHBondContact O-N 2.99Å; K421-G425 PolarHBondContact O-N 2.89Å; K421-K426 PolarHBondContact N-O 2.87Å; K421-F428 HydrophobicContact CB-CD2 4.34Å; K421-F428 HydrophobicContact CB-CE2 4.14Å; K421-F428 HydrophobicContact CD-CD2 3.85Å; K421-F428 HydrophobicContact CD-CE2 3.91Å; K421-F428 HydrophobicContact CG-CD2 3.76Å; K421-F428 HydrophobicContact CG-CE2 3.99Å
422	F	92.7	Very high	87.2	Confident	25 Å²	25	53 Å²	53	11%	0.11	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-59.5	-46.2	-175	-66.5	-70.3	0	0	0	111.7	F355 H358 V360 V373 K402 C404 Y420 E424 G425	F355-F422 HydrophobicContact CB-CE2 4.18Å; F355-F422 HydrophobicContact CB-CZ 4.07Å; F355-F422 AromaticContact CD1-CE2 3.45Å; F355-F422 HydrophobicContact CD1-CE2 3.45Å; F355-F422 VanDerWaalsContact CD1-CE2 3.45Å; F355-F422 AromaticContact CD1-CZ 3.81Å; F355-F422 HydrophobicContact CD1-CZ 3.81Å; F355-F422 HydrophobicContact CD2-CE2 4.09Å; F355-F422 AromaticContact CD2-CZ 3.54Å; F355-F422 HydrophobicContact CD2-CZ 3.54Å; F355-F422 AromaticContact CE1-CE2 3.78Å; F355-F422 HydrophobicContact CE1-CE2 3.78Å; F355-F422 HydrophobicContact CE1-CZ 4.12Å; F355-F422 HydrophobicContact CE2-CE2 4.37Å; F355-F422 AromaticContact CE2-CZ 3.87Å; F355-F422 HydrophobicContact CE2-CZ 3.87Å; F355-F422 AromaticContact CG-CE2 3.63Å; F355-F422 HydrophobicContact CG-CE2 3.63Å; F355-F422 AromaticContact CG-CZ 3.51Å; F355-F422 HydrophobicContact CG-CZ 3.51Å; F355-F422 HydrophobicContact CZ-CE2 4.24Å; F355-F422 HydrophobicContact CZ-CZ 4.16Å; H358-F422 HydrophobicContact CB-CD1 3.94Å; H358-F422 HydrophobicContact CB-CE1 3.58Å; H358-F422 HydrophobicContact CB-CZ 4.34Å; H358-F422 AromaticContact CD2-CD1 3.8Å; H358-F422 AromaticContact CE1-CD1 3.58Å; H358-F422 AromaticContact CE1-CG 3.95Å; H358-F422 AromaticContact CG-CD1 3.44Å; H358-F422 VanDerWaalsContact CG-CD1 3.44Å; H358-F422 AromaticContact CG-CE1 3.64Å; H358-F422 AromaticContact ND1-CD1 3.28Å; H358-F422 VanDerWaalsContact ND1-CD1 3.28Å; H358-F422 WeakPolarHBondContact ND1-CD1 3.37Å; H358-F422 AromaticContact ND1-CE1 3.85Å; H358-F422 AromaticContact ND1-CG 3.76Å; H358-F422 AromaticContact NE2-CD1 3.85Å; V360-F422 HydrophobicContact CG2-CE1 3.84Å; V360-F422 HydrophobicContact CG2-CZ 3.77Å; V373-F422 HydrophobicContact CG1-CD1 4.19Å; V373-F422 HydrophobicContact CG1-CE1 3.86Å; K402-F422 VanDerWaalsContact C-CD2 3.48Å; K402-F422 VanDerWaalsContact O-CD2 3.26Å; K402-F422 WeakPolarHBondContact O-CD2 3.48Å; K402-F422 PolarHBondContact O-N 3.33Å; C404-F422 HydrophobicContact CB-CE2 4.15Å; C404-F422 HydrophobicContact CB-CZ 3.89Å; Y420-F422 AromaticContact CD1-CD1 3.99Å; Y420-F422 HydrophobicContact CD1-CD1 3.99Å; Y420-F422 AromaticContact CD1-CE1 3.92Å; Y420-F422 HydrophobicContact CD1-CE1 3.92Å; Y420-F422 HydrophobicContact CD1-CG 4.5Å; Y420-F422 HydrophobicContact CD1-CZ 4.4Å; Y420-F422 AromaticContact CE1-CD1 3.51Å; Y420-F422 HydrophobicContact CE1-CD1 3.51Å; Y420-F422 AromaticContact CE1-CE1 3.77Å; Y420-F422 HydrophobicContact CE1-CE1 3.77Å; Y420-F422 HydrophobicContact CE1-CG 4.2Å; F422-E424 VanDerWaalsContact C-N 3.25Å; F422-E424 PolarHBondContact O-N 2.64Å; F422-G425 PolarHBondContact O-N 3.49Å
423	A	91.9	Very high	85.8	Confident	103 Å²	103	61.5 Å²	61.5	85%	0.851	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-62.9	-26.8	-179.6	0	0	0	0	0	114.3	K421	K421-A423 PolarHBondContact O-N 3.06Å
424	E	92.4	Very high	84.8	Confident	100 Å²	100	65.9 Å²	65.9	47%	0.467	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-99.5	-11.4	-179.5	-58	-176.8	-131.3	0	0	112.6	K421 F422 K426 F428	K421-E424 HydrophobicContact CB-CB 4.13Å; K421-E424 HydrophobicContact CB-CG 4.27Å; K421-E424 WeakPolarHBondContact CD-OE1 3.22Å; K421-E424 IonicContact NZ-OE1 3.09Å; K421-E424 PolarHBondContact O-N 2.99Å; F422-E424 VanDerWaalsContact C-N 3.25Å; F422-E424 PolarHBondContact O-N 2.64Å; E424-K426 VanDerWaalsContact C-N 3.28Å; E424-K426 WeakPolarHBondContact O-CG 3.29Å; E424-K426 PolarHBondContact O-N 2.89Å; E424-F428 HydrophobicContact CB-CE2 4.18Å; E424-F428 HydrophobicContact CB-CZ 4.4Å; E424-F428 WeakPolarHBondContact OE2-CZ 3.35Å
425	G	91.4	Very high	84	Confident	18 Å²	18	65.5 Å²	65.5	19%	0.186	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.8	23.3	179.5	0	0	0	0	0	114.7	R382 K421 F422	R382-G425 WeakPolarHBondContact CD-O 3.35Å; R382-G425 VanDerWaalsContact NH1-CA 3.31Å; K421-G425 PolarHBondContact O-N 2.89Å; F422-G425 PolarHBondContact O-N 3.49Å
426	K	92.6	Very high	83.4	Confident	126 Å²	126	69.2 Å²	69.2	55%	0.548	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	151.8	-165.6	-72.1	169.8	-166.7	165.7	0	112.9	Y420 K421 E424 F428	Y420-K426 VanDerWaalsContact CD2-C 3.4Å; Y420-K426 WeakPolarHBondContact CD2-O 3.49Å; K421-K426 PolarHBondContact N-O 2.87Å; E424-K426 VanDerWaalsContact C-N 3.28Å; E424-K426 WeakPolarHBondContact O-CG 3.29Å; E424-K426 PolarHBondContact O-N 2.89Å; K426-F428 HydrophobicContact CB-CD2 4.42Å; K426-F428 HydrophobicContact CB-CE2 3.67Å; K426-F428 HydrophobicContact CB-CZ 4.03Å; K426-F428 HydrophobicContact CD-CZ 4.29Å
427	L	92.9	Very high	82.8	Confident	50 Å²	50	68.2 Å²	68.2	26%	0.262	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	136.3	166.9	-168.9	68.7	0	0	0	110.3	L384 L386 F406 Y418 Y420	L384-L427 HydrophobicContact CD1-CB 4.31Å; L386-L427 HydrophobicContact CD2-CD2 3.5Å; F406-L427 HydrophobicContact CE1-CD1 3.62Å; F406-L427 HydrophobicContact CZ-CD1 3.48Å; F406-L427 VanDerWaalsContact CZ-CD1 3.48Å; F406-L427 HydrophobicContact CZ-CD2 4.19Å; F406-L427 HydrophobicContact CZ-CG 4.48Å; Y418-L427 HydrophobicContact CD1-CD2 4Å; Y418-L427 HydrophobicContact CD1-CG 4.17Å; Y420-L427 HydrophobicContact CD2-CB 4.41Å
428	F	91.4	Very high	82.1	Confident	69 Å²	69	66.6 Å²	66.6	30%	0.303	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.5	172.2	-65.3	-93.5	0	0	0	109.3	Y418 T419 K421 E424 K426	Y418-F428 CarbonylContact C-O 3.56Å; Y418-F428 WeakPolarHBondContact CA-O 3.44Å; T419-F428 PolarHBondContact N-O 2.8Å; T419-F428 PolarHBondContact O-N 3.2Å; K421-F428 HydrophobicContact CB-CD2 4.34Å; K421-F428 HydrophobicContact CB-CE2 4.14Å; K421-F428 HydrophobicContact CD-CD2 3.85Å; K421-F428 HydrophobicContact CD-CE2 3.91Å; K421-F428 HydrophobicContact CG-CD2 3.76Å; K421-F428 HydrophobicContact CG-CE2 3.99Å; E424-F428 HydrophobicContact CB-CE2 4.18Å; E424-F428 HydrophobicContact CB-CZ 4.4Å; E424-F428 WeakPolarHBondContact OE2-CZ 3.35Å; K426-F428 HydrophobicContact CB-CD2 4.42Å; K426-F428 HydrophobicContact CB-CE2 3.67Å; K426-F428 HydrophobicContact CB-CZ 4.03Å; K426-F428 HydrophobicContact CD-CZ 4.29Å
429	E	89.2	Confident	81.5	Confident	92 Å²	92	72.3 Å²	72.3	43%	0.43	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	124.2	163.9	-171.7	169.9	141.9	0	0	106.9	K416 Y418	K416-E429 IonicContact NZ-OE1 3.24Å; K416-E429 PolarHBondContact NZ-OE1 2.85Å; Y418-E429 HydrophobicContact CD1-CB 3.86Å; Y418-E429 HydrophobicContact CD1-CG 4.16Å; Y418-E429 HydrophobicContact CE1-CB 3.47Å; Y418-E429 VanDerWaalsContact CE1-CB 3.47Å; Y418-E429 HydrophobicContact CE1-CG 3.55Å; Y418-E429 WeakPolarHBondContact CE1-OE2 3.29Å; Y418-E429 HydrophobicContact CE2-CG 4.41Å; Y418-E429 VanDerWaalsContact CZ-OE2 3.31Å; Y418-E429 PolarHBondContact OH-OE2 3.44Å
430	E	79.3	Confident	81.1	Confident	90 Å²	90	74.1 Å²	74.1	42%	0.421	40%	0.4	S	S	.	.			trans	-78.4	149.5	178.2	-53.7	-146.7	157	0	0	109.8	Y417 T419 G432	Y417-E430 PolarHBondContact O-N 3.49Å; T419-E430 WeakPolarHBondContact CB-OE1 3.47Å; T419-E430 PolarHBondContact OG1-OE1 2.92Å; E430-G432 PolarHBondContact O-N 2.87Å
431	T	63.2	Low	80.8	Confident	153 Å²	153	74.8 Å²	74.8	94%	0.939	41%	0.405	S	S	*	.	S	Bend	trans	-70.8	81.5	-149.8	48	0	0	0	0	114.8
432	G	58.4	Low	80.7	Confident	40 Å²	40	78 Å²	78	41%	0.412	42%	0.416	S	S	.	.			trans	-105.1	133.2	177	0	0	0	0	0	113.3	K416 E430	K416-G432 PolarHBondContact NZ-O 2.93Å; E430-G432 PolarHBondContact O-N 2.87Å
433	H	61.3	Low	80.7	Confident	182 Å²	182	79 Å²	79	84%	0.843	42%	0.424	S	S	*	.			trans	-50.2	150.8	170.6	-77	78.6	0	0	0	111.7	K416 D435	K416-H433 PolarHBondContact NZ-O 2.81Å; H433-D435 PolarHBondContact O-N 3.12Å
434	E	66.5	Low	80.8	Confident	106 Å²	106	76.6 Å²	76.6	50%	0.495	40%	0.397	S	S	.	.			trans	-73.9	100.1	175.5	-169.4	-172.8	-178.8	0	0	109.7	K439	E434-K439 VanDerWaalsContact CD-CE 3.43Å; E434-K439 VanDerWaalsContact CD-NZ 3.25Å; E434-K439 WeakPolarHBondContact OE1-CE 3.44Å; E434-K439 IonicContact OE1-NZ 2.72Å; E434-K439 VanDerWaalsContact OE2-CE 3.23Å; E434-K439 WeakPolarHBondContact OE2-CE 3.49Å; E434-K439 IonicContact OE2-NZ 2.71Å; E434-K439 PolarHBondContact OE2-NZ 2.92Å
435	D	71.3	Confident	80.8	Confident	26 Å²	26	75.2 Å²	75.2	14%	0.139	39%	0.387	C	S	.	.			trans	-47.7	125.4	175.1	-172.5	-35.3	0	0	0	110.8	P414 H433 I437 T438 R495	P414-D435 VanDerWaalsContact CD-OD2 3.27Å; P414-D435 WeakPolarHBondContact CD-OD2 3.38Å; H433-D435 PolarHBondContact O-N 3.12Å; D435-I437 HydrophobicContact CB-CG2 4.45Å; D435-I437 PolarHBondContact O-N 3.49Å; D435-I437 WeakPolarHBondContact OD1-CG2 2.95Å; D435-I437 PolarHBondContact OD1-N 3.11Å; D435-T438 VanDerWaalsContact O-CB 3.28Å; D435-T438 WeakPolarHBondContact O-CB 3.41Å; D435-T438 PolarHBondContact O-N 3.38Å; D435-T438 PolarHBondContact O-OG1 2.83Å; D435-R495 IonicContact OD1-CZ 3.39Å; D435-R495 IonicContact OD1-NH1 3.7Å; D435-R495 PolarHBondContact OD1-NH1 3.36Å; D435-R495 IonicContact OD1-NH2 2.91Å; D435-R495 PolarHBondContact OD1-NH2 2.87Å; D435-R495 IonicContact OD2-CZ 3.84Å; D435-R495 IonicContact OD2-NH1 2.68Å; D435-R495 PolarHBondContact OD2-NH1 2.9Å; D435-R495 IonicContact OD2-NH2 2.79Å
436	P	72.3	Confident	81.1	Confident	89 Å²	89	75.9 Å²	75.9	58%	0.578	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	-31.4	177.5	-31.2	36.4	0	0	0	115.2	T438 K439 T440	P436-T438 PolarHBondContact O-N 2.81Å; P436-T438 VanDerWaalsContact O-N 3.16Å; P436-K439 PolarHBondContact O-N 3.47Å; P436-T440 PolarHBondContact O-N 2.93Å
437	I	75.8	Confident	81.3	Confident	2 Å²	2	75.3 Å²	75.3	1%	0.01	39%	0.386	C	S	.	.	H	α-helix	trans	-65.7	-19.6	-179.6	-157.3	149.3	0	0	0	113.6	I412 R413 D435 K439 T440 S441 R495	I412-I437 HydrophobicContact CB-CD1 3.92Å; I412-I437 HydrophobicContact CD1-CD1 4.14Å; I412-I437 HydrophobicContact CD1-CG1 4.12Å; I412-I437 HydrophobicContact CG1-CD1 4.24Å; I412-I437 HydrophobicContact CG1-CG1 4.46Å; R413-I437 HydrophobicContact CB-CG2 4.38Å; R413-I437 HydrophobicContact CG-CG2 4.28Å; D435-I437 HydrophobicContact CB-CG2 4.45Å; D435-I437 PolarHBondContact O-N 3.49Å; D435-I437 WeakPolarHBondContact OD1-CG2 2.95Å; D435-I437 PolarHBondContact OD1-N 3.11Å; I437-K439 PolarHBondContact O-N 2.92Å; I437-K439 VanDerWaalsContact O-N 3.16Å; I437-T440 WeakPolarHBondContact CA-OG1 3.35Å; I437-S441 WeakPolarHBondContact O-CB 3.43Å; I437-S441 PolarHBondContact O-N 3.12Å; I437-S441 PolarHBondContact O-OG 3.07Å; I437-R495 HydrophobicContact CD1-CB 4.42Å; I437-R495 HydrophobicContact CD1-CG 3.7Å
438	T	72.8	Confident	81.6	Confident	52 Å²	52	73 Å²	73	32%	0.319	37%	0.373	S	S	.	.	H	α-helix	trans	-61.6	-19.3	171.2	-33.3	0	0	0	0	112.5	R413 D435 P436	R413-T438 VanDerWaalsContact CZ-OG1 3.3Å; R413-T438 PolarHBondContact NH2-OG1 2.91Å; D435-T438 VanDerWaalsContact O-CB 3.28Å; D435-T438 WeakPolarHBondContact O-CB 3.41Å; D435-T438 PolarHBondContact O-N 3.38Å; D435-T438 PolarHBondContact O-OG1 2.83Å; P436-T438 PolarHBondContact O-N 2.81Å; P436-T438 VanDerWaalsContact O-N 3.16Å
439	K	77.5	Confident	81.9	Confident	129 Å²	129	76.8 Å²	76.8	56%	0.561	39%	0.389	S	S	*	.	H	α-helix	trans	-107.6	-41.1	178.2	-68.2	167.9	-179.7	149.6	0	112	E434 P436 I437 S441 T464	E434-K439 VanDerWaalsContact CD-CE 3.43Å; E434-K439 VanDerWaalsContact CD-NZ 3.25Å; E434-K439 WeakPolarHBondContact OE1-CE 3.44Å; E434-K439 IonicContact OE1-NZ 2.72Å; E434-K439 VanDerWaalsContact OE2-CE 3.23Å; E434-K439 WeakPolarHBondContact OE2-CE 3.49Å; E434-K439 IonicContact OE2-NZ 2.71Å; E434-K439 PolarHBondContact OE2-NZ 2.92Å; P436-K439 PolarHBondContact O-N 3.47Å; I437-K439 PolarHBondContact O-N 2.92Å; I437-K439 VanDerWaalsContact O-N 3.16Å; K439-S441 VanDerWaalsContact C-N 3.32Å; K439-S441 PolarHBondContact O-N 2.89Å; K439-T464 WeakPolarHBondContact O-CB 3.49Å; K439-T464 PolarHBondContact O-OG1 2.54Å
440	T	83.5	Confident	82.3	Confident	47 Å²	47	72.7 Å²	72.7	29%	0.288	37%	0.371	S	S	.	.	H	α-helix	trans	-79.2	-8.9	-177.7	63.8	0	0	0	0	114.2	P436 I437 K463 T464	P436-T440 PolarHBondContact O-N 2.93Å; I437-T440 WeakPolarHBondContact CA-OG1 3.35Å; T440-K463 CarbonylContact O-C 3.59Å; T440-K463 WeakPolarHBondContact O-CA 3.17Å; T440-K463 WeakPolarHBondContact O-CG 3.47Å; T440-T464 PolarHBondContact O-N 2.89Å; T440-T464 PolarHBondContact O-OG1 3.15Å
441	S	88.6	Confident	83.2	Confident	15 Å²	15	77.1 Å²	77.1	11%	0.105	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.3	177.3	75.6	0	0	0	0	114.1	I412 I437 K439 H462 T464	I412-S441 VanDerWaalsContact CD1-OG 3.25Å; I412-S441 WeakPolarHBondContact CD1-OG 3.38Å; I437-S441 WeakPolarHBondContact O-CB 3.43Å; I437-S441 PolarHBondContact O-N 3.12Å; I437-S441 PolarHBondContact O-OG 3.07Å; K439-S441 VanDerWaalsContact C-N 3.32Å; K439-S441 PolarHBondContact O-N 2.89Å; S441-H462 CarbonylContact C-O 3.5Å; S441-H462 WeakPolarHBondContact CA-O 3.27Å; S441-T464 WeakPolarHBondContact CA-OG1 3.32Å; S441-T464 PolarHBondContact N-OG1 2.94Å; S441-T464 PolarHBondContact O-OG1 2.83Å
442	R	89.2	Confident	84.8	Confident	124 Å²	124	74 Å²	74	47%	0.468	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	143.9	169.5	-63.3	-177.8	-164.2	-176	5.8	110.4	F461 H462 T464	R442-F461 WeakPolarHBondContact O-CA 3.49Å; R442-H462 PolarHBondContact N-O 3.05Å; R442-H462 PolarHBondContact O-N 3.21Å; R442-T464 HydrophobicContact CG-CG2 4.48Å; R442-T464 VanDerWaalsContact CZ-O 3.27Å; R442-T464 PolarHBondContact NE-O 3.07Å; R442-T464 PolarHBondContact NH2-O 3.41Å
443	V	92.6	Very high	86.6	Confident	45 Å²	45	73.7 Å²	73.7	27%	0.273	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.7	168.5	-170.2	0	0	0	0	108.2	W389 T459 V460 F461	W389-V443 HydrophobicContact CB-CG2 4.47Å; V443-T459 HydrophobicContact CG1-CG2 3.8Å; V443-V460 WeakPolarHBondContact CA-O 3.38Å; V443-F461 HydrophobicContact CB-CD1 4.41Å; V443-F461 HydrophobicContact CB-CE1 4.27Å; V443-F461 HydrophobicContact CG1-CD1 4.2Å; V443-F461 HydrophobicContact CG1-CE1 3.72Å; V443-F461 HydrophobicContact CG1-CZ 4.16Å; V443-F461 HydrophobicContact CG2-CD1 3.78Å; V443-F461 HydrophobicContact CG2-CE1 3.67Å
444	L	93.9	Very high	88.3	Confident	54 Å²	54	68 Å²	68	28%	0.283	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	138.7	175.4	-55.2	179.1	0	0	0	109.6	L446 T459 V460 F547	L444-L446 HydrophobicContact CB-CD2 4.32Å; L444-L446 HydrophobicContact CB-CG 4.25Å; L444-T459 WeakPolarHBondContact O-CA 3.31Å; L444-V460 HydrophobicContact CB-CB 4.33Å; L444-V460 PolarHBondContact N-O 2.85Å; L444-V460 PolarHBondContact O-N 3.03Å; L444-F547 HydrophobicContact CD1-CE1 3.88Å; L444-F547 HydrophobicContact CD1-CZ 3.6Å
445	R	94.2	Very high	89.8	Confident	71 Å²	71	66.9 Å²	66.9	27%	0.268	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	113.9	166.2	-52.9	-59.4	179.7	137	12.9	106.7	N367 P388 A390 C391 M458 T459	N367-R445 PolarHBondContact O-NH1 3.34Å; P388-R445 PolarHBondContact O-NH2 3.08Å; A390-R445 PolarHBondContact O-NH2 3.37Å; C391-R445 PolarHBondContact SG-NH2 2.97Å; C391-R445 VanDerWaalsContact SG-NH2 3.43Å; R445-M458 WeakPolarHBondContact CA-O 3.42Å; R445-T459 PolarHBondContact NH1-OG1 2.85Å
446	L	96.2	Very high	91.1	Very high	32 Å²	32	65.7 Å²	65.7	17%	0.168	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	165.9	-177.8	-58	179.7	0	0	0	109.6	L444 P457 M458 V460 L542 F547	L444-L446 HydrophobicContact CB-CD2 4.32Å; L444-L446 HydrophobicContact CB-CG 4.25Å; L446-P457 CarbonylContact O-C 3.57Å; L446-M458 HydrophobicContact CB-CB 4.33Å; L446-M458 HydrophobicContact CB-CE 3.92Å; L446-M458 PolarHBondContact N-O 2.85Å; L446-M458 PolarHBondContact O-N 3.01Å; L446-V460 HydrophobicContact CD1-CG2 3.87Å; L446-V460 HydrophobicContact CG-CG2 4.42Å; L446-L542 HydrophobicContact CD1-CD2 4.22Å; L446-F547 HydrophobicContact CD1-CD2 4.41Å; L446-F547 HydrophobicContact CD1-CE2 3.78Å; L446-F547 HydrophobicContact CD1-CZ 4.15Å
447	E	97.3	Very high	92.3	Very high	114 Å²	114	61.8 Å²	61.8	53%	0.533	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.2	174.4	-67.2	-176.7	133.7	0	0	110	L455 V456	E447-L455 HydrophobicContact CB-CB 4.26Å; E447-V456 WeakPolarHBondContact CA-O 3.41Å
448	A	98.3	Very high	93.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	137.3	173.1	0	0	0	0	0	110.3	S450 L455 V456 M458 A537 C538 T541	A448-S450 PolarHBondContact O-N 2.87Å; A448-L455 CarbonylContact O-C 3.6Å; A448-L455 WeakPolarHBondContact O-CA 3.19Å; A448-V456 HydrophobicContact CB-CB 4.46Å; A448-V456 PolarHBondContact N-O 2.84Å; A448-V456 PolarHBondContact O-N 2.86Å; A448-M458 HydrophobicContact CB-CE 3.91Å; A448-M458 HydrophobicContact CB-SD 4.46Å; A448-A537 HydrophobicContact CB-CB 4.44Å; A448-C538 HydrophobicContact CB-CB 4.41Å; A448-T541 HydrophobicContact CB-CG2 4.16Å; A448-T541 VanDerWaalsContact CB-OG1 3.31Å; A448-T541 WeakPolarHBondContact CB-OG1 3.19Å
449	K	98.5	Very high	94.5	Very high	149 Å²	149	59.2 Å²	59.2	65%	0.648	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	107.2	177.8	-170.3	178.2	-179	179.6	0	110.2	L455	K449-L455 HydrophobicContact CB-CD2 4.21Å; K449-L455 HydrophobicContact CG-CD2 4.4Å
450	S	98.3	Very high	95.5	Very high	6 Å²	6	53 Å²	53	4%	0.042	26%	0.259	C	S	.	.			trans	-68.8	169.8	177.4	-168	0	0	0	0	112.8	A448 D452 G453 K454 R510 D534	A448-S450 PolarHBondContact O-N 2.87Å; S450-D452 VanDerWaalsContact C-N 3.27Å; S450-D452 PolarHBondContact O-N 2.87Å; S450-G453 WeakPolarHBondContact O-CA 3.35Å; S450-G453 PolarHBondContact O-N 3.24Å; S450-K454 PolarHBondContact N-O 2.95Å; S450-R510 PolarHBondContact OG-NH2 2.98Å; S450-D534 WeakPolarHBondContact CB-OD1 3.07Å; S450-D534 PolarHBondContact OG-OD1 3.48Å
451	K	96.8	Very high	96.1	Very high	184 Å²	184	50.8 Å²	50.8	80%	0.8	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-31.2	-175	-174.8	171.5	-175.9	166.9	0	114.5	G453 A533	K451-G453 VanDerWaalsContact C-N 3.33Å; K451-A533 HydrophobicContact CB-CB 4.11Å
452	D	97.4	Very high	96.5	Very high	88 Å²	88	50.5 Å²	50.5	47%	0.471	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	5.1	174.5	71.4	-22.7	0	0	0	113.4	S450 K454 R510	S450-D452 VanDerWaalsContact C-N 3.27Å; S450-D452 PolarHBondContact O-N 2.87Å; D452-K454 PolarHBondContact OD1-N 3.44Å; D452-R510 IonicContact OD1-CZ 3.9Å; D452-R510 IonicContact OD1-NH1 2.69Å; D452-R510 IonicContact OD1-NH2 3.55Å; D452-R510 PolarHBondContact OD1-NH2 3.28Å; D452-R510 IonicContact OD2-CZ 3.33Å; D452-R510 IonicContact OD2-NH1 2.65Å; D452-R510 PolarHBondContact OD2-NH1 3.43Å; D452-R510 IonicContact OD2-NH2 2.78Å; D452-R510 PolarHBondContact OD2-NH2 3.49Å
453	G	97.4	Very high	96.7	Very high	33 Å²	33	48.1 Å²	48.1	34%	0.34	24%	0.235	S	C	.	.	S	Bend	trans	86.4	-1.7	178.3	0	0	0	0	0	115.4	S450 K451	S450-G453 WeakPolarHBondContact O-CA 3.35Å; S450-G453 PolarHBondContact O-N 3.24Å; K451-G453 VanDerWaalsContact C-N 3.33Å
454	K	96.8	Very high	96.4	Very high	62 Å²	62	47.3 Å²	47.3	27%	0.27	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-63.8	146.5	171.4	-69.6	-156.7	-169.7	-170.1	0	111.2	S450 D452 W519 D522	S450-K454 PolarHBondContact N-O 2.95Å; D452-K454 PolarHBondContact OD1-N 3.44Å; K454-W519 HydrophobicContact CD-CZ3 3.87Å; K454-D522 IonicContact NZ-OD2 2.76Å; K454-D522 PolarHBondContact NZ-OD2 2.79Å
455	L	97.4	Very high	95.9	Very high	83 Å²	83	50.8 Å²	50.8	44%	0.435	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	119	171.8	-61.9	177.1	0	0	0	108.7	E447 A448 K449 W519	E447-L455 HydrophobicContact CB-CB 4.26Å; A448-L455 CarbonylContact O-C 3.6Å; A448-L455 WeakPolarHBondContact O-CA 3.19Å; K449-L455 HydrophobicContact CB-CD2 4.21Å; K449-L455 HydrophobicContact CG-CD2 4.4Å; L455-W519 WeakPolarHBondContact O-CH2 3.48Å
456	V	98.1	Very high	95.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.4	179.5	-178.1	0	0	0	0	107.6	E447 A448 V509 W519 D534 C538	E447-V456 WeakPolarHBondContact CA-O 3.41Å; A448-V456 HydrophobicContact CB-CB 4.46Å; A448-V456 PolarHBondContact N-O 2.84Å; A448-V456 PolarHBondContact O-N 2.86Å; V456-V509 HydrophobicContact CG1-CG1 4.35Å; V456-W519 HydrophobicContact CG1-CZ2 4.35Å; V456-W519 HydrophobicContact CG2-CH2 4.31Å; V456-W519 HydrophobicContact CG2-CZ2 4.42Å; V456-D534 HydrophobicContact CG1-CB 4.07Å; V456-D534 HydrophobicContact CG2-CB 3.68Å; V456-D534 WeakPolarHBondContact CG2-OD1 3.39Å; V456-C538 VanDerWaalsContact CG1-SG 3.54Å
457	P	97.8	Very high	95	Very high	7 Å²	7	54.5 Å²	54.5	5%	0.045	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	150.3	179.4	-19.8	32.6	0	0	0	112.2	N367 L446 H508 L515	N367-P457 VanDerWaalsContact ND2-CB 3.31Å; N367-P457 WeakPolarHBondContact ND2-CB 3.4Å; L446-P457 CarbonylContact O-C 3.57Å; P457-H508 HydrophobicContact CB-CB 4.23Å; P457-H508 WeakPolarHBondContact O-CB 3.48Å; P457-H508 PolarHBondContact O-CD2 2.78Å; P457-H508 VanDerWaalsContact O-CD2 3.26Å; P457-H508 PolarHBondContact O-N 2.85Å; P457-L515 HydrophobicContact CG-CD1 3.71Å; P457-L515 HydrophobicContact CG-CD2 4.15Å; P457-L515 HydrophobicContact CG-CG 4.06Å
458	M	97.8	Very high	94.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.3	167.8	-64.1	-177.7	-71.9	0	0	110.3	R445 L446 A448 V460 Y506 C538 T541 L542	R445-M458 WeakPolarHBondContact CA-O 3.42Å; L446-M458 HydrophobicContact CB-CB 4.33Å; L446-M458 HydrophobicContact CB-CE 3.92Å; L446-M458 PolarHBondContact N-O 2.85Å; L446-M458 PolarHBondContact O-N 3.01Å; A448-M458 HydrophobicContact CB-CE 3.91Å; A448-M458 HydrophobicContact CB-SD 4.46Å; M458-V460 HydrophobicContact CB-CG2 4.4Å; M458-Y506 VanDerWaalsContact CA-O 3.27Å; M458-Y506 WeakPolarHBondContact CA-O 3.22Å; M458-C538 HydrophobicContact CG-CB 4.22Å; M458-C538 HydrophobicContact SD-CB 3.53Å; M458-C538 VanDerWaalsContact SD-CB 3.53Å; M458-T541 HydrophobicContact CE-CG2 3.97Å; M458-L542 HydrophobicContact CE-CD2 4.18Å; M458-L542 HydrophobicContact CE-CG 4.21Å; M458-L542 HydrophobicContact SD-CD1 3.97Å; M458-L542 HydrophobicContact SD-CD2 4.08Å; M458-L542 HydrophobicContact SD-CG 3.84Å
459	T	97.8	Very high	94.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.6	162.7	-49.8	0	0	0	0	108	V443 L444 R445 F461 Y506 H508	V443-T459 HydrophobicContact CG1-CG2 3.8Å; L444-T459 WeakPolarHBondContact O-CA 3.31Å; R445-T459 PolarHBondContact NH1-OG1 2.85Å; T459-F461 HydrophobicContact CG2-CD2 4.3Å; T459-F461 HydrophobicContact CG2-CE1 4.34Å; T459-F461 HydrophobicContact CG2-CE2 3.46Å; T459-F461 VanDerWaalsContact CG2-CE2 3.46Å; T459-F461 HydrophobicContact CG2-CZ 3.48Å; T459-F461 VanDerWaalsContact CG2-CZ 3.48Å; T459-Y506 PolarHBondContact N-O 3.18Å; T459-Y506 PolarHBondContact O-N 2.97Å; T459-H508 PolarHBondContact N-NE2 3.33Å; T459-H508 PolarHBondContact OG1-NE2 3.44Å
460	V	97.6	Very high	94.4	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.9	-178.9	-176.3	0	0	0	0	110.1	V443 L444 L446 M458 I503 L504 A505 L542 F547	V443-V460 WeakPolarHBondContact CA-O 3.38Å; L444-V460 HydrophobicContact CB-CB 4.33Å; L444-V460 PolarHBondContact N-O 2.85Å; L444-V460 PolarHBondContact O-N 3.03Å; L446-V460 HydrophobicContact CD1-CG2 3.87Å; L446-V460 HydrophobicContact CG-CG2 4.42Å; M458-V460 HydrophobicContact CB-CG2 4.4Å; V460-I503 HydrophobicContact CG1-CG2 3.51Å; V460-L504 CarbonylContact C-O 3.47Å; V460-L504 WeakPolarHBondContact CA-O 3.19Å; V460-A505 HydrophobicContact CG2-CB 4.09Å; V460-L542 HydrophobicContact CG2-CD2 3.74Å; V460-F547 HydrophobicContact CG1-CD1 4.31Å; V460-F547 HydrophobicContact CG1-CE1 4.34Å
461	F	96.9	Very high	94.3	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	132.6	176.5	-57.7	-92.1	0	0	0	109.4	P411 I412 R442 V443 T459 V498 I503 L504 Y506	P411-F461 VanDerWaalsContact CD-CZ 3.46Å; P411-F461 HydrophobicContact CG-CE2 3.82Å; P411-F461 HydrophobicContact CG-CZ 3.88Å; I412-F461 HydrophobicContact CD1-CB 4.28Å; I412-F461 HydrophobicContact CD1-CD1 3.67Å; I412-F461 HydrophobicContact CD1-CG 4.36Å; I412-F461 HydrophobicContact CG1-CD1 3.98Å; I412-F461 HydrophobicContact CG1-CE1 4.41Å; R442-F461 WeakPolarHBondContact O-CA 3.49Å; V443-F461 HydrophobicContact CB-CD1 4.41Å; V443-F461 HydrophobicContact CB-CE1 4.27Å; V443-F461 HydrophobicContact CG1-CD1 4.2Å; V443-F461 HydrophobicContact CG1-CE1 3.72Å; V443-F461 HydrophobicContact CG1-CZ 4.16Å; V443-F461 HydrophobicContact CG2-CD1 3.78Å; V443-F461 HydrophobicContact CG2-CE1 3.67Å; T459-F461 HydrophobicContact CG2-CD2 4.3Å; T459-F461 HydrophobicContact CG2-CE1 4.34Å; T459-F461 HydrophobicContact CG2-CE2 3.46Å; T459-F461 VanDerWaalsContact CG2-CE2 3.46Å; T459-F461 HydrophobicContact CG2-CZ 3.48Å; T459-F461 VanDerWaalsContact CG2-CZ 3.48Å; F461-V498 HydrophobicContact CB-CG2 4.25Å; F461-I503 CarbonylContact O-C 3.6Å; F461-I503 WeakPolarHBondContact O-CA 3.4Å; F461-L504 HydrophobicContact CB-CB 4.31Å; F461-L504 HydrophobicContact CD2-CB 4.44Å; F461-L504 PolarHBondContact N-O 3.13Å; F461-L504 PolarHBondContact O-N 3.39Å; F461-Y506 AromaticContact CD2-CD2 3.87Å; F461-Y506 HydrophobicContact CD2-CD2 3.87Å; F461-Y506 AromaticContact CD2-CE2 3.83Å; F461-Y506 HydrophobicContact CD2-CE2 3.83Å; F461-Y506 AromaticContact CE2-CD2 3.61Å; F461-Y506 HydrophobicContact CE2-CD2 3.61Å; F461-Y506 AromaticContact CE2-CE2 3.71Å; F461-Y506 HydrophobicContact CE2-CE2 3.71Å
462	H	95.4	Very high	94.3	Very high	9 Å²	9	54.1 Å²	54.1	4%	0.042	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	162.9	172.6	71.4	89.2	0	0	0	111.2	S441 R442 L469 I503	S441-H462 CarbonylContact C-O 3.5Å; S441-H462 WeakPolarHBondContact CA-O 3.27Å; R442-H462 PolarHBondContact N-O 3.05Å; R442-H462 PolarHBondContact O-N 3.21Å; H462-L469 HydrophobicContact CB-CD2 4.37Å; H462-I503 HydrophobicContact CB-CG1 4.14Å; H462-I503 HydrophobicContact CB-CG2 4.48Å
463	K	93.3	Very high	94.4	Very high	73 Å²	73	50.6 Å²	50.6	32%	0.317	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	137.2	176.8	-161	168	-175.5	171.2	0	111.7	T440 D465 S466 D499	T440-K463 CarbonylContact O-C 3.59Å; T440-K463 WeakPolarHBondContact O-CA 3.17Å; T440-K463 WeakPolarHBondContact O-CG 3.47Å; K463-D465 VanDerWaalsContact C-N 3.3Å; K463-D465 PolarHBondContact O-N 3.3Å; K463-S466 VanDerWaalsContact O-CB 3.28Å; K463-S466 WeakPolarHBondContact O-CB 3.5Å; K463-S466 PolarHBondContact O-N 2.66Å; K463-D499 WeakPolarHBondContact CE-O 3.26Å; K463-D499 PolarHBondContact NZ-O 3.4Å
464	T	87.3	Confident	94.4	Very high	29 Å²	29	49 Å²	49	18%	0.178	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-38.1	-172.1	-67.4	0	0	0	0	113.2	K439 T440 S441 R442	K439-T464 WeakPolarHBondContact O-CB 3.49Å; K439-T464 PolarHBondContact O-OG1 2.54Å; T440-T464 PolarHBondContact O-N 2.89Å; T440-T464 PolarHBondContact O-OG1 3.15Å; S441-T464 WeakPolarHBondContact CA-OG1 3.32Å; S441-T464 PolarHBondContact N-OG1 2.94Å; S441-T464 PolarHBondContact O-OG1 2.83Å; R442-T464 HydrophobicContact CG-CG2 4.48Å; R442-T464 VanDerWaalsContact CZ-O 3.27Å; R442-T464 PolarHBondContact NE-O 3.07Å; R442-T464 PolarHBondContact NH2-O 3.41Å
465	D	83.7	Confident	94.5	Very high	127 Å²	127	46.2 Å²	46.2	68%	0.679	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.9	25.6	-173.3	-46.6	-58.6	0	0	0	111.5	K463 E467	K463-D465 VanDerWaalsContact C-N 3.3Å; K463-D465 PolarHBondContact O-N 3.3Å; D465-E467 PolarHBondContact O-N 3.38Å; D465-E467 VanDerWaalsContact O-N 3.15Å
466	S	84.8	Confident	94.6	Very high	20 Å²	20	42.2 Å²	42.2	14%	0.14	21%	0.207	C	C	.	.			trans	-78.7	96.8	-177.7	-156.1	0	0	0	0	111.4	K463 K472	K463-S466 VanDerWaalsContact O-CB 3.28Å; K463-S466 WeakPolarHBondContact O-CB 3.5Å; K463-S466 PolarHBondContact O-N 2.66Å; S466-K472 VanDerWaalsContact OG-CE 3.25Å; S466-K472 WeakPolarHBondContact OG-CE 3.35Å
467	E	85.5	Confident	94.6	Very high	161 Å²	161	42.9 Å²	42.9	75%	0.752	21%	0.21	S	C	*	.	S	Bend	trans	-65.6	152.8	167.5	-62	-174.1	162.8	0	0	111.6	D465 L469 K472	D465-E467 PolarHBondContact O-N 3.38Å; D465-E467 VanDerWaalsContact O-N 3.15Å; E467-L469 PolarHBondContact O-N 3.03Å; E467-K472 WeakPolarHBondContact O-CE 3.42Å
468	D	89.9	Confident	94.7	Very high	96 Å²	96	42.8 Å²	42.8	51%	0.513	21%	0.21	S	C	.	.			trans	46.8	59.3	179.1	-73.3	-6.4	0	0	0	114.5	Q470 K471	D468-Q470 PolarHBondContact O-N 3.46Å; D468-K471 HydrophobicContact CB-CB 4.3Å; D468-K471 HydrophobicContact CB-CD 3.88Å; D468-K471 HydrophobicContact CB-CG 4.16Å; D468-K471 WeakPolarHBondContact O-CB 3.41Å; D468-K471 PolarHBondContact O-N 2.78Å; D468-K471 VanDerWaalsContact OD2-CE 3.3Å; D468-K471 WeakPolarHBondContact OD2-CE 3.16Å; D468-K471 IonicContact OD2-NZ 3.62Å; D468-K471 PolarHBondContact OD2-NZ 2.89Å
469	L	95.5	Very high	94.7	Very high	39 Å²	39	44 Å²	44	20%	0.204	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-50.4	-28.8	176	-71.5	174.9	0	0	0	113.8	H462 E467 K471 K472 I503 G546 F547 S548	H462-L469 HydrophobicContact CB-CD2 4.37Å; E467-L469 PolarHBondContact O-N 3.03Å; L469-K471 PolarHBondContact O-N 3.01Å; L469-K472 HydrophobicContact CD2-CG 4.46Å; L469-K472 PolarHBondContact O-N 2.95Å; L469-I503 HydrophobicContact CB-CD1 4.32Å; L469-I503 HydrophobicContact CD2-CD1 4.07Å; L469-I503 HydrophobicContact CD2-CG1 4.26Å; L469-G546 CarbonylContact C-O 3.19Å; L469-G546 WeakPolarHBondContact CB-O 3.32Å; L469-F547 HydrophobicContact CD1-CD1 4.04Å; L469-F547 HydrophobicContact CD1-CE1 3.81Å; L469-S548 WeakPolarHBondContact O-CA 3.37Å; L469-S548 PolarHBondContact O-N 3.49Å
470	Q	96.7	Very high	94.7	Very high	111 Å²	111	44.1 Å²	44.1	52%	0.519	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-64.1	-24.6	176	-168.4	-178.6	4.5	0	0	113	D468 G546 S548	D468-Q470 PolarHBondContact O-N 3.46Å; Q470-G546 WeakPolarHBondContact CA-O 3.48Å; Q470-G546 PolarHBondContact N-O 2.89Å; Q470-S548 CarbonylContact O-C 3.56Å; Q470-S548 VanDerWaalsContact O-C 3.3Å; Q470-S548 WeakPolarHBondContact O-CA 3.39Å
471	K	96.2	Very high	94.6	Very high	135 Å²	135	44.1 Å²	44.1	59%	0.587	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-98.2	7	178.9	-57.8	177.1	-172.2	162.5	0	112.9	D468 L469 L552	D468-K471 HydrophobicContact CB-CB 4.3Å; D468-K471 HydrophobicContact CB-CD 3.88Å; D468-K471 HydrophobicContact CB-CG 4.16Å; D468-K471 WeakPolarHBondContact O-CB 3.41Å; D468-K471 PolarHBondContact O-N 2.78Å; D468-K471 VanDerWaalsContact OD2-CE 3.3Å; D468-K471 WeakPolarHBondContact OD2-CE 3.16Å; D468-K471 IonicContact OD2-NZ 3.62Å; D468-K471 PolarHBondContact OD2-NZ 2.89Å; L469-K471 PolarHBondContact O-N 3.01Å; K471-L552 WeakPolarHBondContact O-CD1 3.35Å
472	K	97.6	Very high	94.5	Very high	64 Å²	64	46.7 Å²	46.7	28%	0.278	23%	0.225	S	C	.	.	S	Bend	trans	-94.4	146	179.3	-57.2	-63.2	171.7	174.4	0	111.1	S466 E467 L469 I503 S548	S466-K472 VanDerWaalsContact OG-CE 3.25Å; S466-K472 WeakPolarHBondContact OG-CE 3.35Å; E467-K472 WeakPolarHBondContact O-CE 3.42Å; L469-K472 HydrophobicContact CD2-CG 4.46Å; L469-K472 PolarHBondContact O-N 2.95Å; K472-I503 HydrophobicContact CB-CD1 3.95Å; K472-I503 HydrophobicContact CB-CG1 4.13Å; K472-S548 WeakPolarHBondContact O-CB 3.47Å; K472-S548 PolarHBondContact O-OG 3.01Å
473	P	98.3	Very high	94.5	Very high	13 Å²	13	47 Å²	47	8%	0.084	23%	0.232	C	C	.	.			trans	-66.3	143.3	172.1	30	-35.6	0	0	0	111	W502 I503 L552 L710 L712	P473-W502 HydrophobicContact CB-CD2 3.61Å; P473-W502 HydrophobicContact CB-CE3 3.71Å; P473-W502 HydrophobicContact CB-CG 4.2Å; P473-W502 HydrophobicContact CB-CH2 3.94Å; P473-W502 HydrophobicContact CB-CZ2 3.86Å; P473-W502 HydrophobicContact CB-CZ3 3.87Å; P473-W502 HydrophobicContact CG-CB 4.27Å; P473-W502 HydrophobicContact CG-CD2 3.46Å; P473-W502 VanDerWaalsContact CG-CD2 3.46Å; P473-W502 VanDerWaalsContact CG-CE2 3.45Å; P473-W502 HydrophobicContact CG-CE3 4.09Å; P473-W502 HydrophobicContact CG-CG 3.55Å; P473-W502 HydrophobicContact CG-CZ2 4.06Å; P473-W502 WeakPolarHBondContact O-CA 3.34Å; P473-I503 PolarHBondContact O-N 2.86Å; P473-L552 WeakPolarHBondContact CA-O 3.19Å; P473-L710 HydrophobicContact CB-CD1 3.48Å; P473-L710 VanDerWaalsContact CB-CD1 3.48Å; P473-L712 HydrophobicContact CB-CD1 4.02Å; P473-L712 HydrophobicContact CG-CD1 3.96Å
474	L	98.8	Very high	94.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	120	-174.6	165.2	63.1	0	0	0	110.7	I476 I503 A505 L542 L552 T553 T554	L474-I476 HydrophobicContact CD1-CD1 4Å; L474-I476 HydrophobicContact CD2-CD1 3.92Å; L474-I476 HydrophobicContact CG-CD1 3.86Å; L474-I476 HydrophobicContact CG-CG1 4.44Å; L474-I503 CarbonylContact C-O 3.57Å; L474-I503 VanDerWaalsContact CA-O 3.32Å; L474-I503 WeakPolarHBondContact CA-O 3.44Å; L474-I503 HydrophobicContact CB-CB 4.39Å; L474-I503 HydrophobicContact CD1-CB 3.86Å; L474-I503 HydrophobicContact CD1-CG2 3.66Å; L474-A505 HydrophobicContact CD1-CB 3.81Å; L474-L542 HydrophobicContact CD2-CB 4.33Å; L474-L542 HydrophobicContact CD2-CD1 4.24Å; L474-L552 PolarHBondContact N-O 3.04Å; L474-T553 HydrophobicContact CD2-CG2 3.99Å; L474-T553 HydrophobicContact CG-CG2 4.18Å; L474-T554 PolarHBondContact O-N 2.95Å; L474-T554 PolarHBondContact O-OG1 2.89Å
475	L	98.8	Very high	94.7	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	104.2	176.5	-174.9	60.3	0	0	0	111	H477 L497 W502 I503 L504 A505 T554 T556 L706	L475-H477 PolarHBondContact O-CE1 2.99Å; L475-H477 PolarHBondContact O-ND1 3.31Å; L475-L497 HydrophobicContact CD2-CD1 3.93Å; L475-W502 HydrophobicContact CB-CE3 4.07Å; L475-W502 HydrophobicContact CB-CZ3 4.26Å; L475-I503 PolarHBondContact N-O 3.5Å; L475-L504 HydrophobicContact CB-CD2 3.88Å; L475-L504 HydrophobicContact CD2-CD2 4.24Å; L475-A505 PolarHBondContact O-N 3.12Å; L475-T554 WeakPolarHBondContact CD1-OG1 3.25Å; L475-T556 HydrophobicContact CD1-CG2 3.97Å; L475-T556 HydrophobicContact CD2-CG2 4.27Å; L475-T556 HydrophobicContact CG-CG2 4.02Å; L475-L706 HydrophobicContact CD1-CD1 4.07Å
476	I	98.9	Very high	95.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	133.4	174.6	-55.1	-61.6	0	0	0	109.9	L474 A505 L535 I539 L542 T553 T554 L555 T556	L474-I476 HydrophobicContact CD1-CD1 4Å; L474-I476 HydrophobicContact CD2-CD1 3.92Å; L474-I476 HydrophobicContact CG-CD1 3.86Å; L474-I476 HydrophobicContact CG-CG1 4.44Å; I476-A505 CarbonylContact C-O 3.3Å; I476-A505 WeakPolarHBondContact CA-O 3.45Å; I476-A505 HydrophobicContact CD1-CB 4.09Å; I476-L535 HydrophobicContact CG2-CD1 3.9Å; I476-I539 HydrophobicContact CD1-CG1 3.96Å; I476-I539 HydrophobicContact CG1-CD1 4.31Å; I476-I539 HydrophobicContact CG1-CG1 4.01Å; I476-I539 HydrophobicContact CG2-CG1 4.46Å; I476-L542 HydrophobicContact CD1-CD1 3.68Å; I476-T553 HydrophobicContact CD1-CG2 4.42Å; I476-T553 HydrophobicContact CG1-CG2 3.92Å; I476-T554 WeakPolarHBondContact CB-O 3.34Å; I476-T554 WeakPolarHBondContact CG1-O 3.42Å; I476-T554 PolarHBondContact N-O 3.44Å; I476-L555 HydrophobicContact CB-CB 4.13Å; I476-L555 HydrophobicContact CB-CD1 4.14Å; I476-L555 HydrophobicContact CB-CG 4.04Å; I476-L555 HydrophobicContact CG2-CD1 3.83Å; I476-L555 HydrophobicContact CG2-CG 4.12Å; I476-L555 CarbonylContact O-C 3.56Å; I476-L555 WeakPolarHBondContact O-CA 3.36Å; I476-T556 PolarHBondContact O-N 3.33Å
477	H	98.7	Very high	95.3	Very high	14 Å²	14	48.3 Å²	48.3	7%	0.065	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	173.2	-60.7	59.6	0	0	0	109.2	L475 L486 R494 A505 Y506 C507 T556	L475-H477 PolarHBondContact O-CE1 2.99Å; L475-H477 PolarHBondContact O-ND1 3.31Å; H477-L486 HydrophobicContact CB-CD2 4.39Å; H477-L486 WeakPolarHBondContact O-CD1 3.34Å; H477-R494 PolarHBondContact NE2-NH1 3.35Å; H477-A505 PolarHBondContact N-O 3.45Å; H477-Y506 HydrophobicContact CB-CD1 3.71Å; H477-Y506 HydrophobicContact CB-CE1 3.85Å; H477-Y506 HydrophobicContact CB-CG 4.16Å; H477-Y506 AromaticContact CD2-CE1 3.52Å; H477-Y506 AromaticContact CD2-CZ 3.55Å; H477-Y506 PolarHBondContact CD2-OH 3.15Å; H477-Y506 AromaticContact CG-CE1 3.71Å; H477-Y506 AromaticContact CG-CZ 3.81Å; H477-Y506 AromaticContact NE2-CZ 3.75Å; H477-Y506 PolarHBondContact NE2-OH 3.05Å; H477-C507 PolarHBondContact O-N 2.81Å; H477-T556 HydrophobicContact CB-CG2 4.43Å
478	V	98.4	Very high	95.6	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.03	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	146.5	-178.8	67.1	0	0	0	0	112.4	V509 L535 L555 T556 A557 L564	V478-V509 HydrophobicContact CG2-CG1 4.33Å; V478-V509 HydrophobicContact CG2-CG2 3.71Å; V478-L535 HydrophobicContact CB-CD1 3.97Å; V478-L535 HydrophobicContact CG1-CD1 4.33Å; V478-L535 HydrophobicContact CG1-CD2 4.17Å; V478-L535 HydrophobicContact CG2-CD1 3.95Å; V478-L535 HydrophobicContact CG2-CD2 4.24Å; V478-L555 HydrophobicContact CG1-CD1 4.14Å; V478-L555 HydrophobicContact CG1-CD2 4.07Å; V478-L555 HydrophobicContact CG1-CG 4.35Å; V478-T556 PolarHBondContact N-O 2.8Å; V478-A557 HydrophobicContact CG1-CB 4.08Å; V478-L564 HydrophobicContact CG2-CB 4.49Å; V478-L564 HydrophobicContact CG2-CD1 4.11Å
479	Y	98.1	Very high	95.4	Very high	26 Å²	26	38.9 Å²	38.9	10%	0.102	19%	0.186	C	C	.	.			trans	-135.3	-71.6	171.2	-168.4	-104.8	0	0	0	111.4	A481 Y482 M484 F558 A560 G561	Y479-A481 HydrophobicContact CD1-CB 4.35Å; Y479-A481 HydrophobicContact CE1-CB 4.01Å; Y479-Y482 HydrophobicContact CE1-CD2 4Å; Y479-Y482 WeakPolarHBondContact OH-CD2 3.15Å; Y479-Y482 WeakPolarHBondContact OH-CE2 3.43Å; Y479-M484 HydrophobicContact CD1-CB 4.11Å; Y479-M484 HydrophobicContact CE1-CB 3.88Å; Y479-M484 HydrophobicContact CE1-CG 4.29Å; Y479-M484 HydrophobicContact CE1-SD 3.75Å; Y479-F558 WeakPolarHBondContact CD2-O 3.5Å; Y479-F558 HydrophobicContact CE2-CD1 4.39Å; Y479-F558 WeakPolarHBondContact CE2-O 3.41Å; Y479-A560 HydrophobicContact CE2-CB 4.23Å; Y479-G561 WeakPolarHBondContact O-CA 3.43Å
480	G	97.3	Very high	95.1	Very high	2 Å²	2	38.1 Å²	38.1	2%	0.021	18%	0.181	C	C	.	.			trans	69.7	33	167.6	0	0	0	0	0	115.7	G511 K528	G480-G511 CarbonylContact O-C 3.51Å; G480-G511 WeakPolarHBondContact O-CA 3.49Å; G480-K528 PolarHBondContact O-NZ 2.77Å
481	A	97.1	Very high	94.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.171	C	C	.	.			trans	-140.1	158.4	178.3	0	0	0	0	0	113.1	Y479 G483 M484 G511 A560 E606 W607	Y479-A481 HydrophobicContact CD1-CB 4.35Å; Y479-A481 HydrophobicContact CE1-CB 4.01Å; A481-G483 PolarHBondContact O-N 3.39Å; A481-M484 PolarHBondContact O-N 2.92Å; A481-M484 VanDerWaalsContact O-N 3.15Å; A481-G511 CarbonylContact C-O 3.55Å; A481-G511 VanDerWaalsContact CA-O 3.29Å; A481-G511 WeakPolarHBondContact CA-O 3.43Å; A481-G511 PolarHBondContact N-O 3.34Å; A481-A560 HydrophobicContact CB-CB 3.7Å; A481-E606 WeakPolarHBondContact CA-OE1 3.38Å; A481-W607 HydrophobicContact CB-CH2 4.47Å
482	Y	94.4	Very high	94.2	Very high	53 Å²	53	31.6 Å²	31.6	21%	0.208	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	11.5	171.6	-40.8	-62.5	0	0	0	116.8	K272 Y479 M484 G511 H520 A560 E603 E606 W607	K272-Y482 HydrophobicContact CD-CD1 3.99Å; K272-Y482 VanDerWaalsContact CE-CD1 3.42Å; Y479-Y482 HydrophobicContact CE1-CD2 4Å; Y479-Y482 WeakPolarHBondContact OH-CD2 3.15Å; Y479-Y482 WeakPolarHBondContact OH-CE2 3.43Å; Y482-M484 HydrophobicContact CD2-SD 4.14Å; Y482-M484 PolarHBondContact O-N 3.2Å; Y482-G511 PolarHBondContact N-O 2.78Å; Y482-H520 WeakPolarHBondContact CA-NE2 3.26Å; Y482-A560 HydrophobicContact CD2-CB 4.39Å; Y482-A560 HydrophobicContact CE2-CB 3.47Å; Y482-A560 VanDerWaalsContact CE2-CB 3.47Å; Y482-E603 WeakPolarHBondContact CE1-OE1 3.47Å; Y482-E603 VanDerWaalsContact CZ-OE1 3.32Å; Y482-E603 PolarHBondContact OH-OE1 3.36Å; Y482-E606 HydrophobicContact CD1-CB 3.8Å; Y482-E606 HydrophobicContact CD1-CG 3.61Å; Y482-E606 HydrophobicContact CE1-CB 3.8Å; Y482-E606 HydrophobicContact CE1-CG 3.62Å; Y482-E606 PolarHBondContact N-OE1 3.38Å; Y482-E606 PolarHBondContact N-OE2 3.03Å; Y482-W607 HydrophobicContact CE1-CZ2 4.26Å
483	G	94.2	Very high	93.7	Very high	17 Å²	17	28.7 Å²	28.7	18%	0.175	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.6	13.3	-173.7	0	0	0	0	0	113.5	K348 A481 G511 G513 H520	K348-G483 PolarHBondContact NZ-O 2.99Å; A481-G483 PolarHBondContact O-N 3.39Å; G483-G511 PolarHBondContact N-O 2.69Å; G483-G513 VanDerWaalsContact O-CA 3.23Å; G483-G513 WeakPolarHBondContact O-CA 3.3Å; G483-G513 PolarHBondContact O-N 3.1Å; G483-H520 PolarHBondContact N-CD2 3.47Å; G483-H520 PolarHBondContact N-NE2 2.8Å
484	M	92.9	Very high	93.4	Very high	82 Å²	82	29.8 Å²	29.8	40%	0.404	14%	0.141	S	C	.	.	P	Polyproline II helix	trans	-72.3	147.7	170.6	-65.9	179.7	73.6	0	0	109.9	Y479 A481 Y482 G512 G513	Y479-M484 HydrophobicContact CD1-CB 4.11Å; Y479-M484 HydrophobicContact CE1-CB 3.88Å; Y479-M484 HydrophobicContact CE1-CG 4.29Å; Y479-M484 HydrophobicContact CE1-SD 3.75Å; A481-M484 PolarHBondContact O-N 2.92Å; A481-M484 VanDerWaalsContact O-N 3.15Å; Y482-M484 HydrophobicContact CD2-SD 4.14Å; Y482-M484 PolarHBondContact O-N 3.2Å; M484-G512 CarbonylContact O-C 3.56Å; M484-G512 WeakPolarHBondContact O-CA 3.31Å; M484-G513 PolarHBondContact O-N 2.9Å
485	D	92.4	Very high	93	Very high	33 Å²	33	30.8 Å²	30.8	18%	0.176	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-84.7	150.5	169.4	-81.1	32.8	0	0	0	109.4	K348 K364 K487 E514	K348-D485 WeakPolarHBondContact CD-OD1 3.11Å; K348-D485 WeakPolarHBondContact CE-OD1 3.17Å; K348-D485 IonicContact NZ-OD1 2.9Å; K348-D485 PolarHBondContact NZ-OD1 2.95Å; K364-D485 VanDerWaalsContact CD-OD2 3.24Å; K364-D485 WeakPolarHBondContact CD-OD2 3.49Å; K364-D485 WeakPolarHBondContact CE-OD2 3.37Å; K364-D485 IonicContact NZ-OD2 3.71Å; K364-D485 PolarHBondContact NZ-OD2 3.27Å; D485-K487 PolarHBondContact O-N 2.9Å; D485-K487 VanDerWaalsContact O-N 3.12Å; D485-E514 WeakPolarHBondContact CA-OE1 3.2Å; D485-E514 HydrophobicContact CB-CG 4.25Å; D485-E514 PolarHBondContact OD1-N 3.29Å
486	L	92.9	Very high	92.6	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.079	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-51.6	119	162	-93.9	173.6	0	0	0	110.6	H477 M488 Y506 C507 E514	H477-L486 HydrophobicContact CB-CD2 4.39Å; H477-L486 WeakPolarHBondContact O-CD1 3.34Å; L486-M488 PolarHBondContact O-N 3.39Å; L486-Y506 HydrophobicContact CB-CD1 4.38Å; L486-Y506 HydrophobicContact CD1-CD1 4.34Å; L486-C507 VanDerWaalsContact CD1-O 3.27Å; L486-C507 WeakPolarHBondContact CD1-O 3.38Å; L486-E514 PolarHBondContact N-OE1 3.3Å
487	K	87.8	Confident	92.4	Very high	145 Å²	145	31 Å²	31	63%	0.63	15%	0.146	S	C	*	.			trans	-55.2	113.6	173.9	-69.6	-174.1	177.4	-176.9	0	109	D485	D485-K487 PolarHBondContact O-N 2.9Å; D485-K487 VanDerWaalsContact O-N 3.12Å
488	M	92.1	Very high	92.2	Very high	5 Å²	5	30.4 Å²	30.4	3%	0.025	14%	0.143	C	C	.	.			trans	-120.9	26.2	179	-75.2	-175.2	-68.5	0	0	112	C391 S410 P411 L486 Y506	C391-M488 HydrophobicContact CB-CB 3.78Å; C391-M488 HydrophobicContact CB-CE 4.19Å; C391-M488 HydrophobicContact CB-CG 4.42Å; C391-M488 HydrophobicContact CB-SD 3.9Å; S410-M488 CarbonylContact C-O 3.57Å; S410-M488 WeakPolarHBondContact CA-O 3.29Å; P411-M488 VanDerWaalsContact CD-O 3.28Å; P411-M488 WeakPolarHBondContact CD-O 3.41Å; P411-M488 HydrophobicContact CG-CB 4.02Å; P411-M488 HydrophobicContact CG-CG 4.17Å; L486-M488 PolarHBondContact O-N 3.39Å; M488-Y506 HydrophobicContact CG-CD1 3.63Å; M488-Y506 HydrophobicContact CG-CE1 3.94Å; M488-Y506 HydrophobicContact CG-CG 4.07Å; M488-Y506 HydrophobicContact SD-CD1 4.34Å; M488-Y506 HydrophobicContact SD-CG 4.22Å
489	N	86.8	Confident	91.8	Very high	55 Å²	55	32.1 Å²	32.1	29%	0.294	15%	0.152	S	C	.	.	S	Bend	trans	-68.1	159.1	173	-63.8	13.8	0	0	0	110	Y31 P411 R491	Y31-N489 WeakPolarHBondContact CE2-ND2 3.47Å; Y31-N489 PolarHBondContact OH-ND2 2.9Å; P411-N489 WeakPolarHBondContact CA-O 3.26Å; N489-R491 PolarHBondContact O-N 2.92Å
490	F	88.8	Confident	91.5	Very high	23 Å²	23	34 Å²	34	10%	0.101	16%	0.164	C	C	.	.			trans	-61.9	134.9	177	179.2	-117.9	0	0	0	111.3	S410 P411 R413 P414 P492 R495	S410-F490 VanDerWaalsContact O-CA 3.29Å; S410-F490 WeakPolarHBondContact O-CA 2.8Å; P411-F490 WeakPolarHBondContact O-CD2 3.41Å; R413-F490 WeakPolarHBondContact O-CB 3.39Å; P414-F490 HydrophobicContact CB-CD1 4.26Å; P414-F490 HydrophobicContact CB-CE1 4.3Å; P414-F490 HydrophobicContact CG-CD1 4.27Å; P414-F490 HydrophobicContact CG-CD2 4.41Å; P414-F490 HydrophobicContact CG-CE1 3.88Å; P414-F490 HydrophobicContact CG-CE2 4.04Å; P414-F490 HydrophobicContact CG-CZ 3.77Å; F490-P492 HydrophobicContact CE1-CB 4.38Å; F490-P492 HydrophobicContact CE1-CG 3.88Å; F490-P492 HydrophobicContact CZ-CB 4.14Å; F490-P492 HydrophobicContact CZ-CG 4.14Å; F490-R495 HydrophobicContact CE2-CB 4.16Å
491	R	86.8	Confident	91.3	Very high	83 Å²	83	34.2 Å²	34.2	31%	0.313	17%	0.166	S	C	.	.			trans	-142.6	115.3	176.1	-91	-58.6	-159.8	-130.8	7.9	108.3	P411 N489 E493 R494 E693 D694	P411-R491 PolarHBondContact O-N 3.21Å; P411-R491 VanDerWaalsContact O-N 3.14Å; N489-R491 PolarHBondContact O-N 2.92Å; R491-E493 VanDerWaalsContact C-OE2 3.25Å; R491-E493 WeakPolarHBondContact CB-OE2 3.46Å; R491-E493 PolarHBondContact O-N 2.63Å; R491-E493 VanDerWaalsContact O-N 3.15Å; R491-R494 HydrophobicContact CB-CB 4.5Å; R491-R494 HydrophobicContact CB-CG 3.67Å; R491-R494 WeakPolarHBondContact O-CB 3.44Å; R491-R494 PolarHBondContact O-N 3.05Å; R491-E693 IonicContact CZ-OE1 3.93Å; R491-E693 IonicContact NH1-OE1 3.69Å; R491-E693 PolarHBondContact NH1-OE1 2.86Å; R491-E693 IonicContact NH2-OE1 3.18Å; R491-E693 PolarHBondContact NH2-OE1 2.85Å; R491-D694 IonicContact CZ-OD2 3.13Å; R491-D694 IonicContact NE-OD2 2.69Å; R491-D694 PolarHBondContact NE-OD2 3.25Å; R491-D694 IonicContact NH2-OD2 3.71Å; R491-D694 PolarHBondContact NH2-OD2 3.46Å
492	P	86.4	Confident	91.3	Very high	26 Å²	26	34.2 Å²	34.2	17%	0.169	17%	0.166	C	C	.	.	H	α-helix	trans	-62.4	-28.9	-165.5	-19.9	29.3	0	0	0	114.3	F490 R494 R495 V496 Y724 L725	F490-P492 HydrophobicContact CE1-CB 4.38Å; F490-P492 HydrophobicContact CE1-CG 3.88Å; F490-P492 HydrophobicContact CZ-CB 4.14Å; F490-P492 HydrophobicContact CZ-CG 4.14Å; P492-R494 VanDerWaalsContact C-N 3.31Å; P492-R494 PolarHBondContact O-N 3.38Å; P492-R495 WeakPolarHBondContact O-CB 3.49Å; P492-R495 PolarHBondContact O-N 3.24Å; P492-V496 PolarHBondContact O-N 2.75Å; P492-V496 VanDerWaalsContact O-N 3.13Å; P492-Y724 HydrophobicContact CB-CD1 4.48Å; P492-Y724 HydrophobicContact CB-CG 4.15Å; P492-L725 HydrophobicContact CB-CD2 4.33Å; P492-L725 HydrophobicContact CG-CD2 4.19Å
493	E	88.6	Confident	91.5	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.009	16%	0.156	C	C	.	.	H	α-helix	trans	-67.3	-32	176.5	82.7	-69.1	172.1	0	0	112.4	R491 R495 V496 L497 I699 I703 L721	R491-E493 VanDerWaalsContact C-OE2 3.25Å; R491-E493 WeakPolarHBondContact CB-OE2 3.46Å; R491-E493 PolarHBondContact O-N 2.63Å; R491-E493 VanDerWaalsContact O-N 3.15Å; E493-R495 VanDerWaalsContact C-N 3.3Å; E493-R495 PolarHBondContact O-N 2.76Å; E493-V496 PolarHBondContact O-N 3.19Å; E493-L497 WeakPolarHBondContact O-CG 3.48Å; E493-L497 PolarHBondContact O-N 2.64Å; E493-I699 HydrophobicContact CB-CG2 3.81Å; E493-I699 HydrophobicContact CG-CG2 3.94Å; E493-I703 HydrophobicContact CB-CD1 3.8Å; E493-I703 HydrophobicContact CG-CD1 4.05Å; E493-L721 HydrophobicContact CB-CD2 3.55Å
494	R	91.6	Very high	91.7	Very high	37 Å²	37	30.9 Å²	30.9	14%	0.14	15%	0.148	C	C	.	.	H	α-helix	trans	-66.1	-35.2	173.8	-50.7	-61.5	152.5	165.4	-11.5	111.2	P411 I412 H477 R491 P492 V498 L504	P411-R494 HydrophobicContact CB-CB 4.34Å; I412-R494 HydrophobicContact CG2-CB 4.47Å; H477-R494 PolarHBondContact NE2-NH1 3.35Å; R491-R494 HydrophobicContact CB-CB 4.5Å; R491-R494 HydrophobicContact CB-CG 3.67Å; R491-R494 WeakPolarHBondContact O-CB 3.44Å; R491-R494 PolarHBondContact O-N 3.05Å; P492-R494 VanDerWaalsContact C-N 3.31Å; P492-R494 PolarHBondContact O-N 3.38Å; R494-V498 PolarHBondContact O-N 2.83Å; R494-L504 HydrophobicContact CB-CD1 3.74Å
495	R	90.2	Very high	91.9	Very high	21 Å²	21	27 Å²	27	8%	0.079	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-51.6	172.1	168.3	170.1	-164.3	145	4.3	111.3	I412 D435 I437 F490 P492 E493 L497 V498 D499 Y724	I412-R495 HydrophobicContact CB-CB 4.45Å; D435-R495 IonicContact OD1-CZ 3.39Å; D435-R495 IonicContact OD1-NH1 3.7Å; D435-R495 PolarHBondContact OD1-NH1 3.36Å; D435-R495 IonicContact OD1-NH2 2.91Å; D435-R495 PolarHBondContact OD1-NH2 2.87Å; D435-R495 IonicContact OD2-CZ 3.84Å; D435-R495 IonicContact OD2-NH1 2.68Å; D435-R495 PolarHBondContact OD2-NH1 2.9Å; D435-R495 IonicContact OD2-NH2 2.79Å; I437-R495 HydrophobicContact CD1-CB 4.42Å; I437-R495 HydrophobicContact CD1-CG 3.7Å; F490-R495 HydrophobicContact CE2-CB 4.16Å; P492-R495 WeakPolarHBondContact O-CB 3.49Å; P492-R495 PolarHBondContact O-N 3.24Å; E493-R495 VanDerWaalsContact C-N 3.3Å; E493-R495 PolarHBondContact O-N 2.76Å; R495-L497 VanDerWaalsContact C-N 3.3Å; R495-L497 PolarHBondContact O-N 3.05Å; R495-V498 PolarHBondContact O-N 2.85Å; R495-V498 VanDerWaalsContact O-N 3.1Å; R495-D499 WeakPolarHBondContact CG-OD2 3.42Å; R495-D499 IonicContact NE-OD2 3.31Å; R495-D499 PolarHBondContact O-N 2.87Å; R495-Y724 PolarHBondContact NE-OH 3.11Å
496	V	90.8	Very high	92.2	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.018	12%	0.121	C	C	.	.	H	α-helix	trans	-58.5	-42	-179.6	179.8	0	0	0	0	111.5	P492 E493 V498 D499 D500 V717 D720 L721 Y724	P492-V496 PolarHBondContact O-N 2.75Å; P492-V496 VanDerWaalsContact O-N 3.13Å; E493-V496 PolarHBondContact O-N 3.19Å; V496-V498 PolarHBondContact O-N 3.45Å; V496-D499 PolarHBondContact O-N 2.9Å; V496-D500 WeakPolarHBondContact O-CB 3.39Å; V496-D500 PolarHBondContact O-N 3.15Å; V496-V717 HydrophobicContact CG1-CB 4.4Å; V496-V717 HydrophobicContact CG1-CG1 4.03Å; V496-V717 HydrophobicContact CG1-CG2 4.42Å; V496-D720 HydrophobicContact CG1-CB 3.68Å; V496-D720 HydrophobicContact CG2-CB 4.29Å; V496-L721 HydrophobicContact CB-CD2 4.13Å; V496-L721 HydrophobicContact CB-CG 4.34Å; V496-L721 HydrophobicContact CG1-CG 4.2Å; V496-L721 HydrophobicContact CG2-CD2 4Å; V496-L721 HydrophobicContact CG2-CG 4.29Å; V496-Y724 HydrophobicContact CG2-CD2 3.55Å; V496-Y724 HydrophobicContact CG2-CE2 3.68Å
497	L	93.8	Very high	92.5	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	12%	0.118	C	C	.	.	H	α-helix	trans	-58.1	-44.2	175.4	-68.1	177.3	0	0	0	112.5	L475 E493 R495 D500 G501 W502 L504 Y707	L475-L497 HydrophobicContact CD2-CD1 3.93Å; E493-L497 WeakPolarHBondContact O-CG 3.48Å; E493-L497 PolarHBondContact O-N 2.64Å; R495-L497 VanDerWaalsContact C-N 3.3Å; R495-L497 PolarHBondContact O-N 3.05Å; L497-D500 PolarHBondContact O-N 2.88Å; L497-G501 PolarHBondContact O-N 3.22Å; L497-W502 HydrophobicContact CB-CB 4.04Å; L497-W502 HydrophobicContact CB-CG 4.04Å; L497-W502 HydrophobicContact CD2-CD2 4.08Å; L497-W502 HydrophobicContact CD2-CG 4.19Å; L497-W502 VanDerWaalsContact O-CB 3.25Å; L497-W502 WeakPolarHBondContact O-CB 3.28Å; L497-W502 PolarHBondContact O-N 3.44Å; L497-L504 HydrophobicContact CB-CD2 4.28Å; L497-L504 HydrophobicContact CD1-CD2 4.25Å; L497-Y707 HydrophobicContact CD2-CE2 3.73Å; L497-Y707 WeakPolarHBondContact CD2-OH 3.34Å
498	V	93.9	Very high	93	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	9%	0.088	C	C	.	.	H	α-helix	trans	-71.6	-34.4	178.3	172.4	0	0	0	0	112.4	I412 F461 R494 R495 V496 G501 L504	I412-V498 HydrophobicContact CD1-CG1 4.33Å; I412-V498 HydrophobicContact CG2-CB 4.2Å; I412-V498 HydrophobicContact CG2-CG2 3.83Å; F461-V498 HydrophobicContact CB-CG2 4.25Å; R494-V498 PolarHBondContact O-N 2.83Å; R495-V498 PolarHBondContact O-N 2.85Å; R495-V498 VanDerWaalsContact O-N 3.1Å; V496-V498 PolarHBondContact O-N 3.45Å; V498-G501 WeakPolarHBondContact O-CA 3.32Å; V498-G501 PolarHBondContact O-N 2.82Å; V498-L504 HydrophobicContact CG2-CD1 3.71Å; V498-L504 HydrophobicContact CG2-CG 3.64Å
499	D	90.4	Very high	93.3	Very high	42 Å²	42	18 Å²	18	23%	0.225	9%	0.087	C	C	.	.	H	α-helix	trans	-69.1	-33.1	174.6	-80.6	-37.9	0	0	0	111.9	K463 R495 V496 G501	K463-D499 WeakPolarHBondContact CE-O 3.26Å; K463-D499 PolarHBondContact NZ-O 3.4Å; R495-D499 WeakPolarHBondContact CG-OD2 3.42Å; R495-D499 IonicContact NE-OD2 3.31Å; R495-D499 PolarHBondContact O-N 2.87Å; V496-D499 PolarHBondContact O-N 2.9Å; D499-G501 VanDerWaalsContact C-N 3.33Å
500	D	91.6	Very high	93.8	Very high	66 Å²	66	15.4 Å²	15.4	35%	0.353	7%	0.073	S	C	.	.	H	α-helix	trans	-69.2	-30.2	168.9	-172.8	74.2	0	0	0	112.2	V496 L497 Y707 S716 V717	V496-D500 WeakPolarHBondContact O-CB 3.39Å; V496-D500 PolarHBondContact O-N 3.15Å; L497-D500 PolarHBondContact O-N 2.88Å; D500-Y707 PolarHBondContact OD2-OH 3.39Å; D500-S716 PolarHBondContact OD1-OG 2.91Å; D500-V717 HydrophobicContact CB-CG2 3.67Å; D500-V717 VanDerWaalsContact CG-CG2 3.43Å; D500-V717 WeakPolarHBondContact OD1-CG2 3.41Å
501	G	93.5	Very high	94.3	Very high	6 Å²	6	14.3 Å²	14.3	6%	0.062	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	122.3	14.7	170.2	0	0	0	0	0	115.2	L497 V498 D499	L497-G501 PolarHBondContact O-N 3.22Å; V498-G501 WeakPolarHBondContact O-CA 3.32Å; V498-G501 PolarHBondContact O-N 2.82Å; D499-G501 VanDerWaalsContact C-N 3.33Å
502	W	97	Very high	94.7	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.			trans	-63	155.1	170	-69.6	57.5	0	0	0	111.7	P473 L475 L497 L504 L706 Y707 L710 L712	P473-W502 HydrophobicContact CB-CD2 3.61Å; P473-W502 HydrophobicContact CB-CE3 3.71Å; P473-W502 HydrophobicContact CB-CG 4.2Å; P473-W502 HydrophobicContact CB-CH2 3.94Å; P473-W502 HydrophobicContact CB-CZ2 3.86Å; P473-W502 HydrophobicContact CB-CZ3 3.87Å; P473-W502 HydrophobicContact CG-CB 4.27Å; P473-W502 HydrophobicContact CG-CD2 3.46Å; P473-W502 VanDerWaalsContact CG-CD2 3.46Å; P473-W502 VanDerWaalsContact CG-CE2 3.45Å; P473-W502 HydrophobicContact CG-CE3 4.09Å; P473-W502 HydrophobicContact CG-CG 3.55Å; P473-W502 HydrophobicContact CG-CZ2 4.06Å; P473-W502 WeakPolarHBondContact O-CA 3.34Å; L475-W502 HydrophobicContact CB-CE3 4.07Å; L475-W502 HydrophobicContact CB-CZ3 4.26Å; L497-W502 HydrophobicContact CB-CB 4.04Å; L497-W502 HydrophobicContact CB-CG 4.04Å; L497-W502 HydrophobicContact CD2-CD2 4.08Å; L497-W502 HydrophobicContact CD2-CG 4.19Å; L497-W502 VanDerWaalsContact O-CB 3.25Å; L497-W502 WeakPolarHBondContact O-CB 3.28Å; L497-W502 PolarHBondContact O-N 3.44Å; W502-L504 HydrophobicContact CB-CD2 4.48Å; W502-L706 HydrophobicContact CH2-CB 4.08Å; W502-Y707 AromaticContact CE2-CE2 3.68Å; W502-Y707 AromaticContact CE2-CZ 3.73Å; W502-Y707 HydrophobicContact CH2-CD2 4.45Å; W502-Y707 HydrophobicContact CH2-CE2 4.32Å; W502-Y707 AromaticContact CZ2-CD2 3.7Å; W502-Y707 HydrophobicContact CZ2-CD2 3.7Å; W502-Y707 HydrophobicContact CZ2-CE1 4.43Å; W502-Y707 AromaticContact CZ2-CE2 3.35Å; W502-Y707 HydrophobicContact CZ2-CE2 3.35Å; W502-Y707 HydrophobicContact CZ2-CG 4.38Å; W502-Y707 AromaticContact CZ2-CZ 3.77Å; W502-Y707 AromaticContact NE1-CE1 3.98Å; W502-Y707 AromaticContact NE1-CE2 3.72Å; W502-Y707 AromaticContact NE1-CZ 3.26Å; W502-Y707 VanDerWaalsContact NE1-CZ 3.26Å; W502-Y707 PolarHBondContact NE1-OH 2.64Å; W502-L710 HydrophobicContact CH2-CD1 3.61Å; W502-L710 HydrophobicContact CZ2-CD1 4.16Å; W502-L710 HydrophobicContact CZ3-CD1 4.16Å; W502-L712 HydrophobicContact CZ2-CD1 3.79Å
503	I	98.6	Very high	95	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.4	166.1	-53.8	165.6	0	0	0	107.1	V460 F461 H462 L469 K472 P473 L474 L475 F547	V460-I503 HydrophobicContact CG1-CG2 3.51Å; F461-I503 CarbonylContact O-C 3.6Å; F461-I503 WeakPolarHBondContact O-CA 3.4Å; H462-I503 HydrophobicContact CB-CG1 4.14Å; H462-I503 HydrophobicContact CB-CG2 4.48Å; L469-I503 HydrophobicContact CB-CD1 4.32Å; L469-I503 HydrophobicContact CD2-CD1 4.07Å; L469-I503 HydrophobicContact CD2-CG1 4.26Å; K472-I503 HydrophobicContact CB-CD1 3.95Å; K472-I503 HydrophobicContact CB-CG1 4.13Å; P473-I503 PolarHBondContact O-N 2.86Å; L474-I503 CarbonylContact C-O 3.57Å; L474-I503 VanDerWaalsContact CA-O 3.32Å; L474-I503 WeakPolarHBondContact CA-O 3.44Å; L474-I503 HydrophobicContact CB-CB 4.39Å; L474-I503 HydrophobicContact CD1-CB 3.86Å; L474-I503 HydrophobicContact CD1-CG2 3.66Å; L475-I503 PolarHBondContact N-O 3.5Å; I503-F547 HydrophobicContact CD1-CB 4.17Å; I503-F547 HydrophobicContact CD1-CD1 4.23Å; I503-F547 HydrophobicContact CG2-CD1 4.38Å
504	L	98.6	Very high	95.2	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.9	169.8	-48.5	-178.3	0	0	0	108.7	I412 V460 F461 L475 R494 L497 V498 W502 Y506	I412-L504 HydrophobicContact CG2-CD1 4.2Å; V460-L504 CarbonylContact C-O 3.47Å; V460-L504 WeakPolarHBondContact CA-O 3.19Å; F461-L504 HydrophobicContact CB-CB 4.31Å; F461-L504 HydrophobicContact CD2-CB 4.44Å; F461-L504 PolarHBondContact N-O 3.13Å; F461-L504 PolarHBondContact O-N 3.39Å; L475-L504 HydrophobicContact CB-CD2 3.88Å; L475-L504 HydrophobicContact CD2-CD2 4.24Å; R494-L504 HydrophobicContact CB-CD1 3.74Å; L497-L504 HydrophobicContact CB-CD2 4.28Å; L497-L504 HydrophobicContact CD1-CD2 4.25Å; V498-L504 HydrophobicContact CG2-CD1 3.71Å; V498-L504 HydrophobicContact CG2-CG 3.64Å; W502-L504 HydrophobicContact CB-CD2 4.48Å; L504-Y506 HydrophobicContact CB-CE2 4.14Å
505	A	98.6	Very high	95.3	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	114.8	179.7	0	0	0	0	0	112.1	V460 L474 L475 I476 H477 L542	V460-A505 HydrophobicContact CG2-CB 4.09Å; L474-A505 HydrophobicContact CD1-CB 3.81Å; L475-A505 PolarHBondContact O-N 3.12Å; I476-A505 CarbonylContact C-O 3.3Å; I476-A505 WeakPolarHBondContact CA-O 3.45Å; I476-A505 HydrophobicContact CD1-CB 4.09Å; H477-A505 PolarHBondContact N-O 3.45Å; A505-L542 HydrophobicContact CB-CD1 3.61Å; A505-L542 HydrophobicContact CB-CD2 4.47Å
506	Y	98.5	Very high	95.4	Very high	7 Å²	7	7.5 Å²	7.5	3%	0.027	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	113.8	177.2	-67.9	-101	0	0	0	108.8	P411 M458 T459 F461 H477 L486 M488 L504 H508	P411-Y506 HydrophobicContact CB-CE2 4.12Å; P411-Y506 VanDerWaalsContact CB-OH 3.29Å; P411-Y506 WeakPolarHBondContact CB-OH 3.4Å; P411-Y506 HydrophobicContact CG-CE1 4.19Å; P411-Y506 HydrophobicContact CG-CE2 3.7Å; P411-Y506 WeakPolarHBondContact CG-OH 3.33Å; M458-Y506 VanDerWaalsContact CA-O 3.27Å; M458-Y506 WeakPolarHBondContact CA-O 3.22Å; T459-Y506 PolarHBondContact N-O 3.18Å; T459-Y506 PolarHBondContact O-N 2.97Å; F461-Y506 AromaticContact CD2-CD2 3.87Å; F461-Y506 HydrophobicContact CD2-CD2 3.87Å; F461-Y506 AromaticContact CD2-CE2 3.83Å; F461-Y506 HydrophobicContact CD2-CE2 3.83Å; F461-Y506 AromaticContact CE2-CD2 3.61Å; F461-Y506 HydrophobicContact CE2-CD2 3.61Å; F461-Y506 AromaticContact CE2-CE2 3.71Å; F461-Y506 HydrophobicContact CE2-CE2 3.71Å; H477-Y506 HydrophobicContact CB-CD1 3.71Å; H477-Y506 HydrophobicContact CB-CE1 3.85Å; H477-Y506 HydrophobicContact CB-CG 4.16Å; H477-Y506 AromaticContact CD2-CE1 3.52Å; H477-Y506 AromaticContact CD2-CZ 3.55Å; H477-Y506 PolarHBondContact CD2-OH 3.15Å; H477-Y506 AromaticContact CG-CE1 3.71Å; H477-Y506 AromaticContact CG-CZ 3.81Å; H477-Y506 AromaticContact NE2-CZ 3.75Å; H477-Y506 PolarHBondContact NE2-OH 3.05Å; L486-Y506 HydrophobicContact CB-CD1 4.38Å; L486-Y506 HydrophobicContact CD1-CD1 4.34Å; M488-Y506 HydrophobicContact CG-CD1 3.63Å; M488-Y506 HydrophobicContact CG-CE1 3.94Å; M488-Y506 HydrophobicContact CG-CG 4.07Å; M488-Y506 HydrophobicContact SD-CD1 4.34Å; M488-Y506 HydrophobicContact SD-CG 4.22Å; L504-Y506 HydrophobicContact CB-CE2 4.14Å; Y506-H508 PolarHBondContact O-CD2 2.7Å; Y506-H508 PolarHBondContact O-NE2 3.38Å
507	C	98.6	Very high	95.4	Very high	1 Å²	1	9.2 Å²	9.2	1%	0.007	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	103.3	-173.5	-64	0	0	0	0	110.2	H477 L486 V509 L535 C538	H477-C507 PolarHBondContact O-N 2.81Å; L486-C507 VanDerWaalsContact CD1-O 3.27Å; L486-C507 WeakPolarHBondContact CD1-O 3.38Å; C507-V509 HydrophobicContact CB-CG1 4.12Å; C507-V509 PolarHBondContact O-N 3.16Å; C507-L535 HydrophobicContact CB-CD1 4.24Å; C507-C538 HydrophobicContact CB-CB 4.12Å; C507-C538 VanDerWaalsContact SG-CB 3.58Å
508	H	97.9	Very high	95.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.067	C	C	.	.			trans	-83.3	58.7	-170.6	-52.9	-69.1	0	0	0	111.5	N367 P457 T459 Y506 E514 W519	N367-H508 PolarHBondContact ND2-CD2 2.83Å; N367-H508 PolarHBondContact ND2-NE2 3.01Å; P457-H508 HydrophobicContact CB-CB 4.23Å; P457-H508 WeakPolarHBondContact O-CB 3.48Å; P457-H508 PolarHBondContact O-CD2 2.78Å; P457-H508 VanDerWaalsContact O-CD2 3.26Å; P457-H508 PolarHBondContact O-N 2.85Å; T459-H508 PolarHBondContact N-NE2 3.33Å; T459-H508 PolarHBondContact OG1-NE2 3.44Å; Y506-H508 PolarHBondContact O-CD2 2.7Å; Y506-H508 PolarHBondContact O-NE2 3.38Å; H508-E514 HydrophobicContact CB-CB 3.95Å; H508-E514 HydrophobicContact CB-CG 3.77Å; H508-E514 IonicContact ND1-OE1 3.22Å; H508-W519 WeakPolarHBondContact O-CZ2 3.36Å; H508-W519 PolarHBondContact O-NE1 2.89Å
509	V	98.5	Very high	95.4	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.006	7%	0.07	C	C	.	.			trans	-69.1	153.8	-172.7	-57.3	0	0	0	0	112.9	V456 V478 C507 G512 W519 D534 L535 L564	V456-V509 HydrophobicContact CG1-CG1 4.35Å; V478-V509 HydrophobicContact CG2-CG1 4.33Å; V478-V509 HydrophobicContact CG2-CG2 3.71Å; C507-V509 HydrophobicContact CB-CG1 4.12Å; C507-V509 PolarHBondContact O-N 3.16Å; V509-G512 PolarHBondContact O-N 2.69Å; V509-G512 VanDerWaalsContact O-N 3.14Å; V509-W519 PolarHBondContact O-NE1 2.91Å; V509-D534 HydrophobicContact CB-CB 3.71Å; V509-D534 HydrophobicContact CG1-CB 3.68Å; V509-L535 HydrophobicContact CG1-CB 4.12Å; V509-L564 HydrophobicContact CG2-CD1 3.68Å
510	R	98.4	Very high	95.6	Very high	1 Å²	1	11.9 Å²	11.9	0%	0.004	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	149	177.4	-78.6	174.8	-79.7	-167.1	-18.9	113	S450 D452 W519 D534	S450-R510 PolarHBondContact OG-NH2 2.98Å; D452-R510 IonicContact OD1-CZ 3.9Å; D452-R510 IonicContact OD1-NH1 2.69Å; D452-R510 IonicContact OD1-NH2 3.55Å; D452-R510 PolarHBondContact OD1-NH2 3.28Å; D452-R510 IonicContact OD2-CZ 3.33Å; D452-R510 IonicContact OD2-NH1 2.65Å; D452-R510 PolarHBondContact OD2-NH1 3.43Å; D452-R510 IonicContact OD2-NH2 2.78Å; D452-R510 PolarHBondContact OD2-NH2 3.49Å; R510-W519 HydrophobicContact CG-CD2 3.58Å; R510-W519 HydrophobicContact CG-CE3 3.75Å; R510-W519 HydrophobicContact CG-CG 4.23Å; R510-W519 HydrophobicContact CG-CH2 3.86Å; R510-W519 HydrophobicContact CG-CZ2 3.69Å; R510-W519 HydrophobicContact CG-CZ3 3.9Å; R510-D534 VanDerWaalsContact CB-OD2 3.25Å; R510-D534 WeakPolarHBondContact CB-OD2 2.89Å; R510-D534 VanDerWaalsContact CG-OD2 3.27Å; R510-D534 WeakPolarHBondContact CG-OD2 3.37Å; R510-D534 IonicContact CZ-OD1 2.99Å; R510-D534 IonicContact CZ-OD2 3.93Å; R510-D534 PolarHBondContact N-OD2 2.79Å; R510-D534 IonicContact NE-OD1 3.77Å; R510-D534 PolarHBondContact NE-OD1 3.04Å; R510-D534 IonicContact NE-OD2 3.28Å; R510-D534 PolarHBondContact NE-OD2 2.89Å; R510-D534 IonicContact NH2-OD1 3.45Å; R510-D534 PolarHBondContact NH2-OD1 3.24Å; R510-D534 IonicContact NH2-OD2 3.51Å
511	G	97.3	Very high	95.8	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	-25.4	-166.2	0	0	0	0	0	111.7	G480 A481 Y482 G483 W519 H520	G480-G511 CarbonylContact O-C 3.51Å; G480-G511 WeakPolarHBondContact O-CA 3.49Å; A481-G511 CarbonylContact C-O 3.55Å; A481-G511 VanDerWaalsContact CA-O 3.29Å; A481-G511 WeakPolarHBondContact CA-O 3.43Å; A481-G511 PolarHBondContact N-O 3.34Å; Y482-G511 PolarHBondContact N-O 2.78Å; G483-G511 PolarHBondContact N-O 2.69Å; G511-W519 PolarHBondContact N-O 3.16Å; G511-W519 VanDerWaalsContact N-O 3.14Å; G511-H520 PolarHBondContact O-CD2 3.25Å; G511-H520 VanDerWaalsContact O-CD2 3.24Å
512	G	96.4	Very high	95.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	S	Bend	trans	-73.2	173.7	160.3	0	0	0	0	0	112.2	M484 V509 E514 H520	M484-G512 CarbonylContact O-C 3.56Å; M484-G512 WeakPolarHBondContact O-CA 3.31Å; V509-G512 PolarHBondContact O-N 2.69Å; V509-G512 VanDerWaalsContact O-N 3.14Å; G512-E514 WeakPolarHBondContact CA-OE2 3.26Å; G512-H520 WeakPolarHBondContact O-CA 3.12Å; G512-H520 PolarHBondContact O-N 2.78Å
513	G	93.3	Very high	95.9	Very high	4 Å²	4	10.8 Å²	10.8	4%	0.041	6%	0.059	C	C	.	.	S	Bend	trans	-97	-4.4	-175.5	0	0	0	0	0	116.2	K348 G483 M484 L515 G516	K348-G513 WeakPolarHBondContact CD-O 3.32Å; G483-G513 VanDerWaalsContact O-CA 3.23Å; G483-G513 WeakPolarHBondContact O-CA 3.3Å; G483-G513 PolarHBondContact O-N 3.1Å; M484-G513 PolarHBondContact O-N 2.9Å; G513-L515 PolarHBondContact O-N 2.96Å; G513-G516 PolarHBondContact O-N 3.35Å
514	E	93	Very high	95.8	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.009	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-16.3	-155.3	-64.7	88.3	170.3	0	0	115.7	D485 L486 H508 G512	D485-E514 WeakPolarHBondContact CA-OE1 3.2Å; D485-E514 HydrophobicContact CB-CG 4.25Å; D485-E514 PolarHBondContact OD1-N 3.29Å; L486-E514 PolarHBondContact N-OE1 3.3Å; H508-E514 HydrophobicContact CB-CB 3.95Å; H508-E514 HydrophobicContact CB-CG 3.77Å; H508-E514 IonicContact ND1-OE1 3.22Å; G512-E514 WeakPolarHBondContact CA-OE2 3.26Å
515	L	93.4	Very high	95.7	Very high	14 Å²	14	15.6 Å²	15.6	7%	0.073	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	28.3	175.1	-60.9	179.7	0	0	0	112.9	N346 P457 G513 W519	N346-L515 WeakPolarHBondContact CA-O 3.21Å; N346-L515 HydrophobicContact CB-CB 4.32Å; N346-L515 HydrophobicContact CB-CD2 4.37Å; P457-L515 HydrophobicContact CG-CD1 3.71Å; P457-L515 HydrophobicContact CG-CD2 4.15Å; P457-L515 HydrophobicContact CG-CG 4.06Å; G513-L515 PolarHBondContact O-N 2.96Å; L515-W519 HydrophobicContact CB-CB 3.96Å; L515-W519 HydrophobicContact CB-CD2 3.97Å; L515-W519 HydrophobicContact CB-CE3 4.19Å; L515-W519 HydrophobicContact CB-CG 3.87Å; L515-W519 HydrophobicContact CD1-CD2 3.98Å; L515-W519 HydrophobicContact CD1-CE3 3.84Å; L515-W519 HydrophobicContact CD1-CH2 4.05Å; L515-W519 HydrophobicContact CD1-CZ2 4.18Å; L515-W519 HydrophobicContact CD1-CZ3 3.87Å; L515-W519 HydrophobicContact CG-CD2 4.3Å
516	G	91.6	Very high	95.6	Very high	6 Å²	6	19.2 Å²	19.2	6%	0.062	10%	0.103	C	C	.	.			trans	93.4	-177.5	175.1	0	0	0	0	0	114.9	E321 G513 Q518 W519	E321-G516 WeakPolarHBondContact OE2-CA 3.14Å; G513-G516 PolarHBondContact O-N 3.35Å; G516-Q518 VanDerWaalsContact C-N 3.28Å; G516-Q518 PolarHBondContact O-N 2.66Å; G516-W519 VanDerWaalsContact O-CB 3.28Å; G516-W519 WeakPolarHBondContact O-CB 3.28Å; G516-W519 PolarHBondContact O-N 2.86Å
517	L	91.3	Very high	95.6	Very high	39 Å²	39	22.5 Å²	22.5	20%	0.204	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-33.4	-173.9	-71.7	175.1	0	0	0	112.4	N315 T320 E321 F322 W519 H520 A521	N315-L517 HydrophobicContact CB-CD1 3.51Å; T320-L517 VanDerWaalsContact O-CD1 3.24Å; T320-L517 WeakPolarHBondContact O-CD1 3.43Å; E321-L517 PolarHBondContact OE1-N 3.34Å; E321-L517 PolarHBondContact OE2-N 3.24Å; F322-L517 HydrophobicContact CD2-CD1 3.74Å; F322-L517 HydrophobicContact CD2-CG 4.07Å; F322-L517 HydrophobicContact CE2-CD1 3.66Å; F322-L517 HydrophobicContact CE2-CD2 3.89Å; F322-L517 HydrophobicContact CE2-CG 3.93Å; F322-L517 HydrophobicContact CG-CD1 4.21Å; F322-L517 HydrophobicContact CZ-CD1 4.06Å; F322-L517 HydrophobicContact CZ-CD2 4.48Å; L517-W519 PolarHBondContact O-N 2.91Å; L517-H520 PolarHBondContact O-N 2.9Å; L517-A521 WeakPolarHBondContact O-CB 3.33Å; L517-A521 PolarHBondContact O-N 3.22Å
518	Q	92.1	Very high	95.6	Very high	71 Å²	71	22.6 Å²	22.6	33%	0.332	12%	0.117	S	C	.	.	H	α-helix	trans	-67.3	-23.5	175.4	-173	57.8	44.7	0	0	112.8	E321 G516 D522	E321-Q518 WeakPolarHBondContact OE1-CB 3.43Å; E321-Q518 PolarHBondContact OE1-N 2.76Å; G516-Q518 VanDerWaalsContact C-N 3.28Å; G516-Q518 PolarHBondContact O-N 2.66Å; Q518-D522 PolarHBondContact NE2-OD1 3.18Å; Q518-D522 PolarHBondContact NE2-OD2 2.83Å; Q518-D522 WeakPolarHBondContact O-CB 3.29Å; Q518-D522 PolarHBondContact O-N 2.91Å; Q518-D522 VanDerWaalsContact O-N 3.08Å
519	W	95.4	Very high	95.6	Very high	15 Å²	15	24.4 Å²	24.4	6%	0.057	13%	0.127	C	C	.	.	H	α-helix	trans	-73	-40.9	177	-162.4	-114.2	0	0	0	111.9	K454 L455 V456 H508 V509 R510 G511 L515 G516 L517	K454-W519 HydrophobicContact CD-CZ3 3.87Å; L455-W519 WeakPolarHBondContact O-CH2 3.48Å; V456-W519 HydrophobicContact CG1-CZ2 4.35Å; V456-W519 HydrophobicContact CG2-CH2 4.31Å; V456-W519 HydrophobicContact CG2-CZ2 4.42Å; H508-W519 WeakPolarHBondContact O-CZ2 3.36Å; H508-W519 PolarHBondContact O-NE1 2.89Å; V509-W519 PolarHBondContact O-NE1 2.91Å; R510-W519 HydrophobicContact CG-CD2 3.58Å; R510-W519 HydrophobicContact CG-CE3 3.75Å; R510-W519 HydrophobicContact CG-CG 4.23Å; R510-W519 HydrophobicContact CG-CH2 3.86Å; R510-W519 HydrophobicContact CG-CZ2 3.69Å; R510-W519 HydrophobicContact CG-CZ3 3.9Å; G511-W519 PolarHBondContact N-O 3.16Å; G511-W519 VanDerWaalsContact N-O 3.14Å; L515-W519 HydrophobicContact CB-CB 3.96Å; L515-W519 HydrophobicContact CB-CD2 3.97Å; L515-W519 HydrophobicContact CB-CE3 4.19Å; L515-W519 HydrophobicContact CB-CG 3.87Å; L515-W519 HydrophobicContact CD1-CD2 3.98Å; L515-W519 HydrophobicContact CD1-CE3 3.84Å; L515-W519 HydrophobicContact CD1-CH2 4.05Å; L515-W519 HydrophobicContact CD1-CZ2 4.18Å; L515-W519 HydrophobicContact CD1-CZ3 3.87Å; L515-W519 HydrophobicContact CG-CD2 4.3Å; G516-W519 VanDerWaalsContact O-CB 3.28Å; G516-W519 WeakPolarHBondContact O-CB 3.28Å; G516-W519 PolarHBondContact O-N 2.86Å; L517-W519 PolarHBondContact O-N 2.91Å
520	H	95.1	Very high	95.6	Very high	16 Å²	16	26.4 Å²	26.4	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-50.6	169.7	174.6	-142.2	0	0	0	111.3	Y482 G483 G511 G512 L517 D522 G523 R524 E606	Y482-H520 WeakPolarHBondContact CA-NE2 3.26Å; G483-H520 PolarHBondContact N-CD2 3.47Å; G483-H520 PolarHBondContact N-NE2 2.8Å; G511-H520 PolarHBondContact O-CD2 3.25Å; G511-H520 VanDerWaalsContact O-CD2 3.24Å; G512-H520 WeakPolarHBondContact O-CA 3.12Å; G512-H520 PolarHBondContact O-N 2.78Å; L517-H520 PolarHBondContact O-N 2.9Å; H520-D522 PolarHBondContact O-N 2.97Å; H520-D522 VanDerWaalsContact O-N 3.09Å; H520-G523 CarbonylContact O-C 3.55Å; H520-G523 PolarHBondContact O-N 2.84Å; H520-R524 WeakPolarHBondContact NE2-CD 3.41Å; H520-R524 PolarHBondContact O-N 2.89Å; H520-E606 IonicContact CD2-OE2 3.3Å; H520-E606 IonicContact CE1-OE2 3.41Å; H520-E606 IonicContact NE2-OE2 2.81Å; H520-E606 PolarHBondContact NE2-OE2 2.85Å
521	A	94.4	Very high	95.6	Very high	27 Å²	27	26.4 Å²	26.4	22%	0.223	14%	0.138	C	C	.	.	H	α-helix	trans	-62.8	-17.1	-179.7	0	0	0	0	0	114.1	L517 K527	L517-A521 WeakPolarHBondContact O-CB 3.33Å; L517-A521 PolarHBondContact O-N 3.22Å; A521-K527 WeakPolarHBondContact O-CD 3.38Å; A521-K527 PolarHBondContact O-NZ 3.35Å
522	D	96.4	Very high	95.7	Very high	23 Å²	23	27.3 Å²	27.3	12%	0.123	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	4.7	172.7	-78.8	-29.1	0	0	0	114.9	K454 Q518 H520 K527 N530	K454-D522 IonicContact NZ-OD2 2.76Å; K454-D522 PolarHBondContact NZ-OD2 2.79Å; Q518-D522 PolarHBondContact NE2-OD1 3.18Å; Q518-D522 PolarHBondContact NE2-OD2 2.83Å; Q518-D522 WeakPolarHBondContact O-CB 3.29Å; Q518-D522 PolarHBondContact O-N 2.91Å; Q518-D522 VanDerWaalsContact O-N 3.08Å; H520-D522 PolarHBondContact O-N 2.97Å; H520-D522 VanDerWaalsContact O-N 3.09Å; D522-K527 IonicContact OD1-NZ 3.76Å; D522-K527 PolarHBondContact OD1-NZ 2.95Å; D522-N530 WeakPolarHBondContact O-CB 3.38Å; D522-N530 PolarHBondContact O-ND2 2.89Å
523	G	97	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	S	Bend	trans	-137.3	23.5	174.9	0	0	0	0	0	114.9	H520 K528	H520-G523 CarbonylContact O-C 3.55Å; H520-G523 PolarHBondContact O-N 2.84Å; G523-K528 WeakPolarHBondContact O-CD 3.18Å; G523-K528 PolarHBondContact O-NZ 3.29Å
524	R	96.3	Very high	96.1	Very high	53 Å²	53	27.9 Å²	27.9	20%	0.2	15%	0.147	C	C	.	.	S	Bend	trans	-119.8	171.9	171	70	177.1	174	116.4	-7.2	112.6	T273 H520 T526 K527 E605	T273-R524 VanDerWaalsContact CG2-NH2 3.34Å; H520-R524 WeakPolarHBondContact NE2-CD 3.41Å; H520-R524 PolarHBondContact O-N 2.89Å; R524-T526 PolarHBondContact O-N 2.8Å; R524-K527 WeakPolarHBondContact O-CA 3.46Å; R524-K527 WeakPolarHBondContact O-CB 3.4Å; R524-K527 PolarHBondContact O-N 3.06Å; R524-E605 PolarHBondContact NH1-O 2.78Å
525	L	96.4	Very high	96.3	Very high	48 Å²	48	27.8 Å²	27.8	25%	0.251	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	50.1	-132.3	179.1	-57.1	175	0	0	0	111.5	K527 K528 L604 E605 E606 G608 Y619	L525-K527 PolarHBondContact O-N 2.6Å; L525-K528 PolarHBondContact O-N 2.8Å; L525-K528 VanDerWaalsContact O-N 3.1Å; L525-L604 WeakPolarHBondContact CD2-O 3.49Å; L525-E605 WeakPolarHBondContact CD2-O 3.43Å; L525-E606 PolarHBondContact N-O 2.72Å; L525-G608 VanDerWaalsContact CD2-N 3.32Å; L525-Y619 VanDerWaalsContact O-CE1 3.29Å; L525-Y619 WeakPolarHBondContact O-CE1 3.27Å
526	T	97.2	Very high	96.6	Very high	76 Å²	76	29.5 Å²	29.5	47%	0.466	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-68	12.5	176.7	54.2	0	0	0	0	114.8	R524 Y619	R524-T526 PolarHBondContact O-N 2.8Å; T526-Y619 VanDerWaalsContact C-OH 3.27Å; T526-Y619 HydrophobicContact CG2-CD2 4.34Å; T526-Y619 HydrophobicContact CG2-CG 4.27Å; T526-Y619 WeakPolarHBondContact O-CE2 3.48Å; T526-Y619 PolarHBondContact O-OH 3.15Å
527	K	97.9	Very high	96.9	Very high	76 Å²	76	29.9 Å²	29.9	33%	0.33	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-117.6	1.2	170.5	-54.9	178.8	-167.7	166.3	0	114.1	A521 D522 R524 L525 L529 N530 Y619	A521-K527 WeakPolarHBondContact O-CD 3.38Å; A521-K527 PolarHBondContact O-NZ 3.35Å; D522-K527 IonicContact OD1-NZ 3.76Å; D522-K527 PolarHBondContact OD1-NZ 2.95Å; R524-K527 WeakPolarHBondContact O-CA 3.46Å; R524-K527 WeakPolarHBondContact O-CB 3.4Å; R524-K527 PolarHBondContact O-N 3.06Å; L525-K527 PolarHBondContact O-N 2.6Å; K527-L529 PolarHBondContact O-N 3Å; K527-N530 VanDerWaalsContact O-CB 3.23Å; K527-N530 WeakPolarHBondContact O-CB 3.25Å; K527-N530 PolarHBondContact O-N 2.89Å; K527-Y619 VanDerWaalsContact C-OH 3.28Å; K527-Y619 WeakPolarHBondContact CA-OH 3.43Å; K527-Y619 PolarHBondContact N-OH 2.94Å
528	K	98	Very high	97.3	Very high	2 Å²	2	28 Å²	28	1%	0.009	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-30.5	-173.7	-164.6	57.5	164.4	-171.6	0	114.7	G480 G523 L525 N530 G531 E606 W607 Y619 Y623	G480-K528 PolarHBondContact O-NZ 2.77Å; G523-K528 WeakPolarHBondContact O-CD 3.18Å; G523-K528 PolarHBondContact O-NZ 3.29Å; L525-K528 PolarHBondContact O-N 2.8Å; L525-K528 VanDerWaalsContact O-N 3.1Å; K528-N530 PolarHBondContact O-N 3.24Å; K528-N530 VanDerWaalsContact O-N 3.12Å; K528-G531 PolarHBondContact O-N 3.25Å; K528-G531 VanDerWaalsContact O-N 3.12Å; K528-E606 IonicContact NZ-OE1 3.59Å; K528-E606 PolarHBondContact NZ-OE1 3.09Å; K528-W607 HydrophobicContact CD-CZ3 4.27Å; K528-W607 HydrophobicContact CG-CZ3 4.34Å; K528-Y619 HydrophobicContact CB-CE1 4.25Å; K528-Y619 PolarHBondContact N-OH 2.88Å; K528-Y623 HydrophobicContact CB-CD1 4.22Å; K528-Y623 HydrophobicContact CB-CE1 3.74Å; K528-Y623 HydrophobicContact CG-CD2 4.42Å; K528-Y623 HydrophobicContact CG-CE1 4.09Å; K528-Y623 HydrophobicContact CG-CE2 4.03Å
529	L	98.3	Very high	97.6	Very high	38 Å²	38	24.6 Å²	24.6	20%	0.199	13%	0.131	C	C	.	.	H	α-helix	trans	-60.4	-17.7	174.2	-75.7	167.1	0	0	0	114.3	K527 L532 A533 Y619 R622 Y623	K527-L529 PolarHBondContact O-N 3Å; L529-L532 HydrophobicContact CD2-CD2 4.12Å; L529-L532 PolarHBondContact O-N 3.19Å; L529-A533 PolarHBondContact O-N 2.73Å; L529-A533 VanDerWaalsContact O-N 3.11Å; L529-Y619 WeakPolarHBondContact CB-OH 3.47Å; L529-Y619 HydrophobicContact CD1-CE2 4.25Å; L529-Y619 HydrophobicContact CG-CE1 4.48Å; L529-Y619 PolarHBondContact N-OH 3.46Å; L529-R622 HydrophobicContact CD1-CB 4.42Å; L529-Y623 HydrophobicContact CG-CD1 4.49Å
530	N	98.7	Very high	97.8	Very high	44 Å²	44	28 Å²	28	24%	0.235	15%	0.146	C	C	.	.	H	α-helix	trans	-64.1	-41.4	173.2	-70.4	-11.8	0	0	0	111.6	D522 K527 K528 L532 A533 D534	D522-N530 WeakPolarHBondContact O-CB 3.38Å; D522-N530 PolarHBondContact O-ND2 2.89Å; K527-N530 VanDerWaalsContact O-CB 3.23Å; K527-N530 WeakPolarHBondContact O-CB 3.25Å; K527-N530 PolarHBondContact O-N 2.89Å; K528-N530 PolarHBondContact O-N 3.24Å; K528-N530 VanDerWaalsContact O-N 3.12Å; N530-L532 VanDerWaalsContact C-N 3.26Å; N530-L532 PolarHBondContact O-N 3.44Å; N530-A533 PolarHBondContact O-N 2.62Å; N530-D534 WeakPolarHBondContact O-CB 3.24Å; N530-D534 PolarHBondContact O-N 3.32Å
531	G	98.4	Very high	98	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-30.7	177.7	0	0	0	0	0	113	K528 L535	K528-G531 PolarHBondContact O-N 3.25Å; K528-G531 VanDerWaalsContact O-N 3.12Å; G531-L535 WeakPolarHBondContact O-CB 3.07Å; G531-L535 PolarHBondContact O-N 2.89Å
532	L	98.7	Very high	98.2	Very high	20 Å²	20	27.4 Å²	27.4	11%	0.105	14%	0.14	C	C	.	.	H	α-helix	trans	-71	-45.9	173.1	178.7	61.6	0	0	0	111.7	L529 N530 D534 L535 E536 L564 A567 L568	L529-L532 HydrophobicContact CD2-CD2 4.12Å; L529-L532 PolarHBondContact O-N 3.19Å; N530-L532 VanDerWaalsContact C-N 3.26Å; N530-L532 PolarHBondContact O-N 3.44Å; L532-D534 VanDerWaalsContact C-N 3.28Å; L532-D534 PolarHBondContact O-N 2.63Å; L532-L535 PolarHBondContact O-N 2.76Å; L532-E536 WeakPolarHBondContact O-CB 3.45Å; L532-E536 PolarHBondContact O-N 3.32Å; L532-L564 HydrophobicContact CB-CD2 4.28Å; L532-A567 HydrophobicContact CD1-CB 4.04Å; L532-A567 HydrophobicContact CD2-CB 3.95Å; L532-L568 HydrophobicContact CD1-CB 3.86Å; L532-L568 HydrophobicContact CD1-CD1 4.06Å
533	A	98.8	Very high	98.3	Very high	15 Å²	15	27.9 Å²	27.9	12%	0.124	14%	0.142	C	C	.	.	H	α-helix	trans	-65.5	-32	176.1	0	0	0	0	0	112.5	K451 L529 N530 A537	K451-A533 HydrophobicContact CB-CB 4.11Å; L529-A533 PolarHBondContact O-N 2.73Å; L529-A533 VanDerWaalsContact O-N 3.11Å; N530-A533 PolarHBondContact O-N 2.62Å; A533-A537 VanDerWaalsContact O-CB 3.27Å; A533-A537 WeakPolarHBondContact O-CB 3.29Å; A533-A537 PolarHBondContact O-N 3.21Å
534	D	98.9	Very high	98.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-65.5	-45.9	172.4	-70.7	-7.4	0	0	0	111.2	S450 V456 V509 R510 N530 L532 A537 C538	S450-D534 WeakPolarHBondContact CB-OD1 3.07Å; S450-D534 PolarHBondContact OG-OD1 3.48Å; V456-D534 HydrophobicContact CG1-CB 4.07Å; V456-D534 HydrophobicContact CG2-CB 3.68Å; V456-D534 WeakPolarHBondContact CG2-OD1 3.39Å; V509-D534 HydrophobicContact CB-CB 3.71Å; V509-D534 HydrophobicContact CG1-CB 3.68Å; R510-D534 VanDerWaalsContact CB-OD2 3.25Å; R510-D534 WeakPolarHBondContact CB-OD2 2.89Å; R510-D534 VanDerWaalsContact CG-OD2 3.27Å; R510-D534 WeakPolarHBondContact CG-OD2 3.37Å; R510-D534 IonicContact CZ-OD1 2.99Å; R510-D534 IonicContact CZ-OD2 3.93Å; R510-D534 PolarHBondContact N-OD2 2.79Å; R510-D534 IonicContact NE-OD1 3.77Å; R510-D534 PolarHBondContact NE-OD1 3.04Å; R510-D534 IonicContact NE-OD2 3.28Å; R510-D534 PolarHBondContact NE-OD2 2.89Å; R510-D534 IonicContact NH2-OD1 3.45Å; R510-D534 PolarHBondContact NH2-OD1 3.24Å; R510-D534 IonicContact NH2-OD2 3.51Å; N530-D534 WeakPolarHBondContact O-CB 3.24Å; N530-D534 PolarHBondContact O-N 3.32Å; L532-D534 VanDerWaalsContact C-N 3.28Å; L532-D534 PolarHBondContact O-N 2.63Å; D534-A537 PolarHBondContact O-N 2.85Å; D534-C538 WeakPolarHBondContact O-CB 3.43Å; D534-C538 PolarHBondContact O-N 2.83Å; D534-C538 PolarHBondContact O-SG 2.99Å
535	L	98.9	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-62.9	-45.3	176.8	-178.4	61.8	0	0	0	112	I476 V478 C507 V509 G531 L532 A537 C538 I539 L555 L564 L568	I476-L535 HydrophobicContact CG2-CD1 3.9Å; V478-L535 HydrophobicContact CB-CD1 3.97Å; V478-L535 HydrophobicContact CG1-CD1 4.33Å; V478-L535 HydrophobicContact CG1-CD2 4.17Å; V478-L535 HydrophobicContact CG2-CD1 3.95Å; V478-L535 HydrophobicContact CG2-CD2 4.24Å; C507-L535 HydrophobicContact CB-CD1 4.24Å; V509-L535 HydrophobicContact CG1-CB 4.12Å; G531-L535 WeakPolarHBondContact O-CB 3.07Å; G531-L535 PolarHBondContact O-N 2.89Å; L532-L535 PolarHBondContact O-N 2.76Å; L535-A537 VanDerWaalsContact C-N 3.32Å; L535-A537 PolarHBondContact O-N 2.75Å; L535-C538 PolarHBondContact O-N 2.66Å; L535-I539 HydrophobicContact CD1-CD1 4.17Å; L535-I539 HydrophobicContact CG-CD1 4.21Å; L535-I539 WeakPolarHBondContact O-CG1 3.47Å; L535-I539 PolarHBondContact O-N 3.1Å; L535-I539 VanDerWaalsContact O-N 3.1Å; L535-L555 HydrophobicContact CD1-CD1 4.28Å; L535-L555 HydrophobicContact CD2-CD1 4.08Å; L535-L564 HydrophobicContact CD2-CB 4.34Å; L535-L568 HydrophobicContact CD2-CB 4.26Å; L535-L568 HydrophobicContact CD2-CD2 3.78Å; L535-L568 HydrophobicContact CG-CD2 4.02Å
536	E	98.8	Very high	98.4	Very high	51 Å²	51	32.5 Å²	32.5	24%	0.238	19%	0.19	C	C	.	.	H	α-helix	trans	-56.8	-45.7	174.4	-168.5	-154.8	152.8	0	0	111.2	L532 K540 L568 L575	L532-E536 WeakPolarHBondContact O-CB 3.45Å; L532-E536 PolarHBondContact O-N 3.32Å; E536-K540 HydrophobicContact CG-CD 4.2Å; E536-K540 WeakPolarHBondContact O-CB 3.3Å; E536-K540 WeakPolarHBondContact O-CG 3.35Å; E536-K540 PolarHBondContact O-N 3.06Å; E536-K540 VanDerWaalsContact O-N 3.1Å; E536-K540 IonicContact OE1-NZ 2.78Å; E536-K540 PolarHBondContact OE1-NZ 3.26Å; E536-L568 HydrophobicContact CB-CD1 4.42Å; E536-L575 HydrophobicContact CG-CD1 4.2Å
537	A	98.9	Very high	98.4	Very high	13 Å²	13	29.6 Å²	29.6	11%	0.107	17%	0.171	C	C	.	.	H	α-helix	trans	-67.1	-39	178.3	0	0	0	0	0	112.7	A448 A533 D534 L535 T541	A448-A537 HydrophobicContact CB-CB 4.44Å; A533-A537 VanDerWaalsContact O-CB 3.27Å; A533-A537 WeakPolarHBondContact O-CB 3.29Å; A533-A537 PolarHBondContact O-N 3.21Å; D534-A537 PolarHBondContact O-N 2.85Å; L535-A537 VanDerWaalsContact C-N 3.32Å; L535-A537 PolarHBondContact O-N 2.75Å; A537-T541 VanDerWaalsContact O-CB 3.22Å; A537-T541 WeakPolarHBondContact O-CB 3.29Å; A537-T541 PolarHBondContact O-N 2.88Å; A537-T541 PolarHBondContact O-OG1 3.43Å
538	C	98.9	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-58	-54.3	174.5	-75.1	0	0	0	0	111.6	A448 V456 M458 C507 D534 L535 K540 T541 L542	A448-C538 HydrophobicContact CB-CB 4.41Å; V456-C538 VanDerWaalsContact CG1-SG 3.54Å; M458-C538 HydrophobicContact CG-CB 4.22Å; M458-C538 HydrophobicContact SD-CB 3.53Å; M458-C538 VanDerWaalsContact SD-CB 3.53Å; C507-C538 HydrophobicContact CB-CB 4.12Å; C507-C538 VanDerWaalsContact SG-CB 3.58Å; D534-C538 WeakPolarHBondContact O-CB 3.43Å; D534-C538 PolarHBondContact O-N 2.83Å; D534-C538 PolarHBondContact O-SG 2.99Å; L535-C538 PolarHBondContact O-N 2.66Å; C538-K540 PolarHBondContact O-N 3.39Å; C538-T541 PolarHBondContact O-N 2.62Å; C538-T541 VanDerWaalsContact O-N 3.15Å; C538-L542 WeakPolarHBondContact O-CG 3.48Å; C538-L542 PolarHBondContact O-N 3Å
539	I	98.9	Very high	98.4	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-46.6	-178	-63.1	167.1	0	0	0	110.9	I476 L535 T541 L542 H543 T553 L568 L575 L576	I476-I539 HydrophobicContact CD1-CG1 3.96Å; I476-I539 HydrophobicContact CG1-CD1 4.31Å; I476-I539 HydrophobicContact CG1-CG1 4.01Å; I476-I539 HydrophobicContact CG2-CG1 4.46Å; L535-I539 HydrophobicContact CD1-CD1 4.17Å; L535-I539 HydrophobicContact CG-CD1 4.21Å; L535-I539 WeakPolarHBondContact O-CG1 3.47Å; L535-I539 PolarHBondContact O-N 3.1Å; L535-I539 VanDerWaalsContact O-N 3.1Å; I539-T541 VanDerWaalsContact C-N 3.29Å; I539-T541 PolarHBondContact O-N 3.28Å; I539-L542 PolarHBondContact O-N 2.91Å; I539-H543 WeakPolarHBondContact CG2-CE1 3.18Å; I539-H543 PolarHBondContact O-N 3.16Å; I539-T553 HydrophobicContact CG2-CG2 4.37Å; I539-L568 HydrophobicContact CD1-CD2 3.55Å; I539-L575 HydrophobicContact CG2-CB 4.22Å; I539-L576 HydrophobicContact CD1-CD2 4.23Å
540	K	98.7	Very high	98.4	Very high	87 Å²	87	29.7 Å²	29.7	38%	0.378	18%	0.176	S	C	.	.	H	α-helix	trans	-64.3	-31.4	177.3	-70.7	177.9	-179.8	174.7	0	112.9	E536 C538 G544 L575	E536-K540 HydrophobicContact CG-CD 4.2Å; E536-K540 WeakPolarHBondContact O-CB 3.3Å; E536-K540 WeakPolarHBondContact O-CG 3.35Å; E536-K540 PolarHBondContact O-N 3.06Å; E536-K540 VanDerWaalsContact O-N 3.1Å; E536-K540 IonicContact OE1-NZ 2.78Å; E536-K540 PolarHBondContact OE1-NZ 3.26Å; C538-K540 PolarHBondContact O-N 3.39Å; K540-G544 PolarHBondContact O-N 3.39Å; K540-L575 HydrophobicContact CG-CD2 4.11Å
541	T	98.8	Very high	98.3	Very high	29 Å²	29	30.9 Å²	30.9	18%	0.178	19%	0.187	C	C	.	.	H	α-helix	trans	-70.8	-39.8	174.3	-60.2	0	0	0	0	111.5	A448 M458 A537 C538 I539 G544 Q545	A448-T541 HydrophobicContact CB-CG2 4.16Å; A448-T541 VanDerWaalsContact CB-OG1 3.31Å; A448-T541 WeakPolarHBondContact CB-OG1 3.19Å; M458-T541 HydrophobicContact CE-CG2 3.97Å; A537-T541 VanDerWaalsContact O-CB 3.22Å; A537-T541 WeakPolarHBondContact O-CB 3.29Å; A537-T541 PolarHBondContact O-N 2.88Å; A537-T541 PolarHBondContact O-OG1 3.43Å; C538-T541 PolarHBondContact O-N 2.62Å; C538-T541 VanDerWaalsContact O-N 3.15Å; I539-T541 VanDerWaalsContact C-N 3.29Å; I539-T541 PolarHBondContact O-N 3.28Å; T541-G544 PolarHBondContact O-N 3.23Å; T541-Q545 VanDerWaalsContact CG2-NE2 3.34Å; T541-Q545 WeakPolarHBondContact O-CB 3.41Å; T541-Q545 WeakPolarHBondContact O-CG 3.44Å; T541-Q545 PolarHBondContact O-N 3.14Å
542	L	98.8	Very high	98.3	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-62.7	-53.1	176.2	-69.6	167	0	0	0	111	L446 M458 V460 L474 I476 A505 C538 I539 G544 Q545 G546 F547	L446-L542 HydrophobicContact CD1-CD2 4.22Å; M458-L542 HydrophobicContact CE-CD2 4.18Å; M458-L542 HydrophobicContact CE-CG 4.21Å; M458-L542 HydrophobicContact SD-CD1 3.97Å; M458-L542 HydrophobicContact SD-CD2 4.08Å; M458-L542 HydrophobicContact SD-CG 3.84Å; V460-L542 HydrophobicContact CG2-CD2 3.74Å; L474-L542 HydrophobicContact CD2-CB 4.33Å; L474-L542 HydrophobicContact CD2-CD1 4.24Å; I476-L542 HydrophobicContact CD1-CD1 3.68Å; A505-L542 HydrophobicContact CB-CD1 3.61Å; A505-L542 HydrophobicContact CB-CD2 4.47Å; C538-L542 WeakPolarHBondContact O-CG 3.48Å; C538-L542 PolarHBondContact O-N 3Å; I539-L542 PolarHBondContact O-N 2.91Å; L542-G544 VanDerWaalsContact C-N 3.32Å; L542-G544 PolarHBondContact O-N 2.99Å; L542-Q545 CarbonylContact O-C 3.57Å; L542-Q545 PolarHBondContact O-N 3Å; L542-Q545 VanDerWaalsContact O-N 3.13Å; L542-G546 PolarHBondContact O-N 2.75Å; L542-F547 CarbonylContact C-O 3.49Å; L542-F547 HydrophobicContact CB-CB 4.1Å; L542-F547 HydrophobicContact CD2-CB 4.19Å; L542-F547 HydrophobicContact CD2-CD2 4.16Å; L542-F547 HydrophobicContact CD2-CG 4.25Å; L542-F547 WeakPolarHBondContact O-CB 3.41Å; L542-F547 PolarHBondContact O-N 3.45Å
543	H	98.5	Very high	98.3	Very high	34 Å²	34	31.1 Å²	31.1	16%	0.157	19%	0.189	C	C	.	.	H	α-helix	trans	-57.8	-44.4	175.4	-61.7	159.9	0	0	0	111.8	I539 Q545 G546 T553	I539-H543 WeakPolarHBondContact CG2-CE1 3.18Å; I539-H543 PolarHBondContact O-N 3.16Å; H543-Q545 PolarHBondContact O-N 2.72Å; H543-G546 PolarHBondContact O-N 3.44Å; H543-T553 PolarHBondContact NE2-OG1 2.67Å
544	G	98	Very high	98.3	Very high	70 Å²	70	30.4 Å²	30.4	72%	0.722	18%	0.183	S	C	*	.	H	α-helix	trans	-66.6	-19.6	178.9	0	0	0	0	0	115	K540 T541 L542	K540-G544 PolarHBondContact O-N 3.39Å; T541-G544 PolarHBondContact O-N 3.23Å; L542-G544 VanDerWaalsContact C-N 3.32Å; L542-G544 PolarHBondContact O-N 2.99Å
545	Q	97.4	Very high	98.3	Very high	102 Å²	102	30.4 Å²	30.4	48%	0.477	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	4.8	172	-68.9	-178.7	23.7	0	0	113	T541 L542 H543 F547	T541-Q545 VanDerWaalsContact CG2-NE2 3.34Å; T541-Q545 WeakPolarHBondContact O-CB 3.41Å; T541-Q545 WeakPolarHBondContact O-CG 3.44Å; T541-Q545 PolarHBondContact O-N 3.14Å; L542-Q545 CarbonylContact O-C 3.57Å; L542-Q545 PolarHBondContact O-N 3Å; L542-Q545 VanDerWaalsContact O-N 3.13Å; H543-Q545 PolarHBondContact O-N 2.72Å; Q545-F547 HydrophobicContact CB-CD2 3.82Å; Q545-F547 HydrophobicContact CB-CE2 3.87Å
546	G	96.8	Very high	98.2	Very high	25 Å²	25	31.3 Å²	31.3	26%	0.258	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.9	16.7	178.4	0	0	0	0	0	115	L469 Q470 L542 H543	L469-G546 CarbonylContact C-O 3.19Å; L469-G546 WeakPolarHBondContact CB-O 3.32Å; Q470-G546 WeakPolarHBondContact CA-O 3.48Å; Q470-G546 PolarHBondContact N-O 2.89Å; L542-G546 PolarHBondContact O-N 2.75Å; H543-G546 PolarHBondContact O-N 3.44Å
547	F	97.6	Very high	98.2	Very high	16 Å²	16	29.1 Å²	29.1	7%	0.07	18%	0.179	C	C	.	.	S	Bend	trans	-87.7	103.1	168.6	-61.2	-86.2	0	0	0	109.2	L444 L446 V460 L469 I503 L542 Q545	L444-F547 HydrophobicContact CD1-CE1 3.88Å; L444-F547 HydrophobicContact CD1-CZ 3.6Å; L446-F547 HydrophobicContact CD1-CD2 4.41Å; L446-F547 HydrophobicContact CD1-CE2 3.78Å; L446-F547 HydrophobicContact CD1-CZ 4.15Å; V460-F547 HydrophobicContact CG1-CD1 4.31Å; V460-F547 HydrophobicContact CG1-CE1 4.34Å; L469-F547 HydrophobicContact CD1-CD1 4.04Å; L469-F547 HydrophobicContact CD1-CE1 3.81Å; I503-F547 HydrophobicContact CD1-CB 4.17Å; I503-F547 HydrophobicContact CD1-CD1 4.23Å; I503-F547 HydrophobicContact CG2-CD1 4.38Å; L542-F547 CarbonylContact C-O 3.49Å; L542-F547 HydrophobicContact CB-CB 4.1Å; L542-F547 HydrophobicContact CD2-CB 4.19Å; L542-F547 HydrophobicContact CD2-CD2 4.16Å; L542-F547 HydrophobicContact CD2-CG 4.25Å; L542-F547 WeakPolarHBondContact O-CB 3.41Å; L542-F547 PolarHBondContact O-N 3.45Å; Q545-F547 HydrophobicContact CB-CD2 3.82Å; Q545-F547 HydrophobicContact CB-CE2 3.87Å
548	S	98.4	Very high	98	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	19%	0.186	C	C	.	.			trans	57.3	-168	-177.4	-158.3	0	0	0	0	115	L469 Q470 K472 L552	L469-S548 WeakPolarHBondContact O-CA 3.37Å; L469-S548 PolarHBondContact O-N 3.49Å; Q470-S548 CarbonylContact O-C 3.56Å; Q470-S548 VanDerWaalsContact O-C 3.3Å; Q470-S548 WeakPolarHBondContact O-CA 3.39Å; K472-S548 WeakPolarHBondContact O-CB 3.47Å; K472-S548 PolarHBondContact O-OG 3.01Å; S548-L552 WeakPolarHBondContact OG-CB 3.35Å
549	Q	97.7	Very high	97.8	Very high	67 Å²	67	31.7 Å²	31.7	31%	0.313	19%	0.189	S	C	.	.			trans	-149.3	160.1	178	60.1	-178.2	-4.5	0	0	108.8	S551 L552 T553	Q549-S551 VanDerWaalsContact C-N 3.31Å; Q549-S551 PolarHBondContact NE2-OG 2.66Å; Q549-S551 PolarHBondContact O-N 2.69Å; Q549-S551 VanDerWaalsContact O-N 3.17Å; Q549-L552 HydrophobicContact CG-CB 4.21Å; Q549-L552 HydrophobicContact CG-CD1 4.1Å; Q549-L552 HydrophobicContact CG-CG 4.13Å; Q549-L552 CarbonylContact O-C 3.59Å; Q549-L552 PolarHBondContact O-N 2.82Å; Q549-T553 PolarHBondContact O-N 3.01Å; Q549-T553 VanDerWaalsContact O-N 3.13Å; Q549-T553 PolarHBondContact O-OG1 3.34Å
550	P	96.9	Very high	97.7	Very high	49 Å²	49	31.7 Å²	31.7	32%	0.318	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-55.7	-38.8	-172.2	-26.8	32.8	0	0	0	115.2	L552 T553 E574	P550-L552 PolarHBondContact O-N 3.37Å; P550-L552 VanDerWaalsContact O-N 3.13Å; P550-T553 PolarHBondContact O-N 2.82Å; P550-T553 VanDerWaalsContact O-N 3.1Å; P550-E574 VanDerWaalsContact CB-O 3.24Å; P550-E574 WeakPolarHBondContact CB-O 3.48Å
551	S	96.9	Very high	97.7	Very high	69 Å²	69	27.6 Å²	27.6	48%	0.483	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-65.9	-11.2	177.2	54.4	0	0	0	0	114.9	Q549	Q549-S551 VanDerWaalsContact C-N 3.31Å; Q549-S551 PolarHBondContact NE2-OG 2.66Å; Q549-S551 PolarHBondContact O-N 2.69Å; Q549-S551 VanDerWaalsContact O-N 3.17Å
552	L	98.4	Very high	97.6	Very high	26 Å²	26	26.2 Å²	26.2	14%	0.136	16%	0.163	C	C	.	.	G	3₁₀ helix	trans	-119.8	6.4	176.3	-65.3	178.9	0	0	0	112.4	K471 P473 L474 S548 Q549 P550	K471-L552 WeakPolarHBondContact O-CD1 3.35Å; P473-L552 WeakPolarHBondContact CA-O 3.19Å; L474-L552 PolarHBondContact N-O 3.04Å; S548-L552 WeakPolarHBondContact OG-CB 3.35Å; Q549-L552 HydrophobicContact CG-CB 4.21Å; Q549-L552 HydrophobicContact CG-CD1 4.1Å; Q549-L552 HydrophobicContact CG-CG 4.13Å; Q549-L552 CarbonylContact O-C 3.59Å; Q549-L552 PolarHBondContact O-N 2.82Å; P550-L552 PolarHBondContact O-N 3.37Å; P550-L552 VanDerWaalsContact O-N 3.13Å
553	T	98.8	Very high	97.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	126.9	-177.9	-58.9	0	0	0	0	110.3	L474 I476 I539 H543 Q549 P550 L576 R577	L474-T553 HydrophobicContact CD2-CG2 3.99Å; L474-T553 HydrophobicContact CG-CG2 4.18Å; I476-T553 HydrophobicContact CD1-CG2 4.42Å; I476-T553 HydrophobicContact CG1-CG2 3.92Å; I539-T553 HydrophobicContact CG2-CG2 4.37Å; H543-T553 PolarHBondContact NE2-OG1 2.67Å; Q549-T553 PolarHBondContact O-N 3.01Å; Q549-T553 VanDerWaalsContact O-N 3.13Å; Q549-T553 PolarHBondContact O-OG1 3.34Å; P550-T553 PolarHBondContact O-N 2.82Å; P550-T553 VanDerWaalsContact O-N 3.1Å; T553-L576 HydrophobicContact CG2-CD2 3.98Å; T553-R577 PolarHBondContact O-N 2.88Å
554	T	98.9	Very high	97.6	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	163.9	177.1	64.9	0	0	0	0	110.2	L474 L475 I476 A578 L706 L710	L474-T554 PolarHBondContact O-N 2.95Å; L474-T554 PolarHBondContact O-OG1 2.89Å; L475-T554 WeakPolarHBondContact CD1-OG1 3.25Å; I476-T554 WeakPolarHBondContact CB-O 3.34Å; I476-T554 WeakPolarHBondContact CG1-O 3.42Å; I476-T554 PolarHBondContact N-O 3.44Å; T554-A578 CarbonylContact C-O 3.59Å; T554-A578 WeakPolarHBondContact CA-O 2.86Å; T554-A578 VanDerWaalsContact CB-O 3.23Å; T554-A578 WeakPolarHBondContact CB-O 3.38Å; T554-A578 HydrophobicContact CG2-CB 3.94Å; T554-L706 HydrophobicContact CG2-CD2 3.9Å; T554-L710 HydrophobicContact CG2-CD1 4.03Å; T554-L710 HydrophobicContact CG2-CD2 3.78Å; T554-L710 HydrophobicContact CG2-CG 4.03Å
555	L	98.8	Very high	97.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	142.1	-177.1	-175.1	149.9	0	0	0	110.9	I476 V478 L535 A557 A565 L568 L576 A578 V579 T580	I476-L555 HydrophobicContact CB-CB 4.13Å; I476-L555 HydrophobicContact CB-CD1 4.14Å; I476-L555 HydrophobicContact CB-CG 4.04Å; I476-L555 HydrophobicContact CG2-CD1 3.83Å; I476-L555 HydrophobicContact CG2-CG 4.12Å; I476-L555 CarbonylContact O-C 3.56Å; I476-L555 WeakPolarHBondContact O-CA 3.36Å; V478-L555 HydrophobicContact CG1-CD1 4.14Å; V478-L555 HydrophobicContact CG1-CD2 4.07Å; V478-L555 HydrophobicContact CG1-CG 4.35Å; L535-L555 HydrophobicContact CD1-CD1 4.28Å; L535-L555 HydrophobicContact CD2-CD1 4.08Å; L555-A557 HydrophobicContact CD2-CB 4.05Å; L555-A565 HydrophobicContact CD2-CB 3.49Å; L555-A565 VanDerWaalsContact CD2-CB 3.49Å; L555-L568 HydrophobicContact CD1-CD2 4.35Å; L555-L576 HydrophobicContact CB-CD1 4.11Å; L555-L576 HydrophobicContact CB-CD2 3.97Å; L555-L576 HydrophobicContact CD1-CD1 4.28Å; L555-L576 HydrophobicContact CD1-CD2 4.49Å; L555-A578 PolarHBondContact N-O 3.09Å; L555-A578 VanDerWaalsContact N-O 3.09Å; L555-V579 HydrophobicContact CB-CG1 4.31Å; L555-V579 HydrophobicContact CB-CG2 4.44Å; L555-V579 HydrophobicContact CD2-CG1 3.86Å; L555-V579 CarbonylContact O-C 3.59Å; L555-V579 VanDerWaalsContact O-CA 3.25Å; L555-V579 WeakPolarHBondContact O-CA 3.29Å; L555-V579 WeakPolarHBondContact O-CG1 3.35Å; L555-T580 PolarHBondContact O-N 2.99Å
556	T	98.3	Very high	97.7	Very high	19 Å²	19	16.5 Å²	16.5	12%	0.117	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	135	171.5	-172.2	0	0	0	0	110.7	L475 I476 H477 V478 T580	L475-T556 HydrophobicContact CD1-CG2 3.97Å; L475-T556 HydrophobicContact CD2-CG2 4.27Å; L475-T556 HydrophobicContact CG-CG2 4.02Å; I476-T556 PolarHBondContact O-N 3.33Å; H477-T556 HydrophobicContact CB-CG2 4.43Å; V478-T556 PolarHBondContact N-O 2.8Å; T556-T580 WeakPolarHBondContact CA-O 3.42Å; T556-T580 VanDerWaalsContact CB-OG1 3.32Å; T556-T580 WeakPolarHBondContact CB-OG1 3.21Å; T556-T580 PolarHBondContact OG1-OG1 3.22Å; T556-T580 VanDerWaalsContact OG1-OG1 3.07Å
557	A	97.4	Very high	97.8	Very high	5 Å²	5	15.5 Å²	15.5	4%	0.041	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	146.4	177.9	0	0	0	0	0	111.8	V478 L555 A565 T580 L581 E582	V478-A557 HydrophobicContact CG1-CB 4.08Å; L555-A557 HydrophobicContact CD2-CB 4.05Å; A557-A565 HydrophobicContact CB-CB 3.87Å; A557-T580 PolarHBondContact N-O 2.99Å; A557-T580 VanDerWaalsContact N-O 3.14Å; A557-L581 HydrophobicContact CB-CD2 4.1Å; A557-L581 WeakPolarHBondContact O-CA 3.34Å; A557-E582 PolarHBondContact O-N 2.91Å
558	F	94.3	Very high	97.9	Very high	57 Å²	57	14.8 Å²	14.8	25%	0.25	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	144.8	-178.5	166.3	-98.9	0	0	0	110.5	Y479 A560 G561 E582 A583 H690	Y479-F558 WeakPolarHBondContact CD2-O 3.5Å; Y479-F558 HydrophobicContact CE2-CD1 4.39Å; Y479-F558 WeakPolarHBondContact CE2-O 3.41Å; F558-A560 PolarHBondContact O-N 3.49Å; F558-G561 WeakPolarHBondContact O-CA 3.4Å; F558-G561 PolarHBondContact O-N 3.33Å; F558-E582 CarbonylContact C-O 3.51Å; F558-E582 VanDerWaalsContact CA-O 3.29Å; F558-E582 WeakPolarHBondContact CA-O 3.37Å; F558-E582 HydrophobicContact CD2-CB 4.09Å; F558-E582 HydrophobicContact CD2-CG 4.06Å; F558-E582 WeakPolarHBondContact CD2-O 3.43Å; F558-A583 HydrophobicContact CD2-CB 4.48Å; F558-A583 HydrophobicContact CE2-CB 4.07Å; F558-H690 WeakPolarHBondContact CE2-O 3.23Å; F558-H690 AromaticContact CZ-CD2 3.75Å; F558-H690 AromaticContact CZ-NE2 3.62Å; F558-H690 VanDerWaalsContact CZ-O 3.26Å; F558-H690 WeakPolarHBondContact CZ-O 3.41Å
559	S	95.5	Very high	97.9	Very high	9 Å²	9	14.8 Å²	14.8	6%	0.063	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	-127.6	170.9	-178.3	0	0	0	0	112	G561 G562 E582 A583 F585 H690	S559-G561 PolarHBondContact O-N 2.78Å; S559-G561 VanDerWaalsContact O-N 3.12Å; S559-G562 PolarHBondContact O-N 3.02Å; S559-E582 PolarHBondContact N-O 3.04Å; S559-A583 WeakPolarHBondContact CA-O 3.46Å; S559-F585 PolarHBondContact O-N 2.67Å; S559-H690 WeakPolarHBondContact CB-NE2 3.44Å; S559-H690 PolarHBondContact OG-CE1 2.74Å; S559-H690 PolarHBondContact OG-NE2 3.32Å
560	A	97	Very high	97.9	Very high	1 Å²	1	12 Å²	12	1%	0.008	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-21.9	176.1	0	0	0	0	0	114.9	Y479 A481 Y482 F558 G562 V563 W607	Y479-A560 HydrophobicContact CE2-CB 4.23Å; A481-A560 HydrophobicContact CB-CB 3.7Å; Y482-A560 HydrophobicContact CD2-CB 4.39Å; Y482-A560 HydrophobicContact CE2-CB 3.47Å; Y482-A560 VanDerWaalsContact CE2-CB 3.47Å; F558-A560 PolarHBondContact O-N 3.49Å; A560-G562 PolarHBondContact O-N 2.8Å; A560-V563 WeakPolarHBondContact O-CB 3.38Å; A560-V563 WeakPolarHBondContact O-CG2 3.32Å; A560-V563 PolarHBondContact O-N 2.83Å; A560-V563 VanDerWaalsContact O-N 3.11Å; A560-W607 HydrophobicContact CB-CH2 4Å; A560-W607 HydrophobicContact CB-CZ2 3.87Å
561	G	97.6	Very high	98	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-62	-26.6	171	0	0	0	0	0	113.2	Y479 F558 S559 V563 L564 A565	Y479-G561 WeakPolarHBondContact O-CA 3.43Å; F558-G561 WeakPolarHBondContact O-CA 3.4Å; F558-G561 PolarHBondContact O-N 3.33Å; S559-G561 PolarHBondContact O-N 2.78Å; S559-G561 VanDerWaalsContact O-N 3.12Å; G561-V563 PolarHBondContact O-N 3.41Å; G561-L564 PolarHBondContact O-N 2.83Å; G561-L564 VanDerWaalsContact O-N 3.17Å; G561-A565 PolarHBondContact O-N 2.95Å; G561-A565 VanDerWaalsContact O-N 3.1Å
562	G	98	Very high	98	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-55.8	-28.1	171.9	0	0	0	0	0	113.4	S559 A560 G566 F585 L586	S559-G562 PolarHBondContact O-N 3.02Å; A560-G562 PolarHBondContact O-N 2.8Å; G562-G566 PolarHBondContact O-N 2.7Å; G562-F585 CarbonylContact C-O 3.38Å; G562-L586 WeakPolarHBondContact O-CD2 3.37Å
563	V	98.7	Very high	98	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-64.7	-47.5	176.8	-177.8	0	0	0	0	111.3	A560 G561 A567 F585 V588 W607 Y623	A560-V563 WeakPolarHBondContact O-CB 3.38Å; A560-V563 WeakPolarHBondContact O-CG2 3.32Å; A560-V563 PolarHBondContact O-N 2.83Å; A560-V563 VanDerWaalsContact O-N 3.11Å; G561-V563 PolarHBondContact O-N 3.41Å; V563-A567 WeakPolarHBondContact O-CB 3.05Å; V563-A567 PolarHBondContact O-N 3.46Å; V563-F585 HydrophobicContact CG2-CB 4.09Å; V563-F585 HydrophobicContact CG2-CD1 3.98Å; V563-F585 HydrophobicContact CG2-CG 4.2Å; V563-F585 WeakPolarHBondContact CG2-O 3.16Å; V563-F585 PolarHBondContact N-O 3.37Å; V563-V588 HydrophobicContact CB-CG2 4.35Å; V563-V588 HydrophobicContact CG1-CG2 3.94Å; V563-V588 HydrophobicContact CG2-CG2 3.45Å; V563-V588 VanDerWaalsContact CG2-CG2 3.45Å; V563-W607 HydrophobicContact CB-CH2 4.13Å; V563-W607 HydrophobicContact CB-CZ3 4.09Å; V563-W607 HydrophobicContact CG1-CH2 4.46Å; V563-W607 HydrophobicContact CG1-CZ3 3.92Å; V563-W607 HydrophobicContact CG2-CH2 3.56Å; V563-W607 HydrophobicContact CG2-CZ2 4.42Å; V563-W607 HydrophobicContact CG2-CZ3 3.79Å; V563-Y623 HydrophobicContact CG1-CD2 3.6Å; V563-Y623 HydrophobicContact CG1-CE2 3.69Å
564	L	98.7	Very high	97.9	Very high	3 Å²	3	14.5 Å²	14.5	2%	0.016	8%	0.079	C	C	.	.	H	α-helix	trans	-72.9	-38.4	-180	-63.4	-175.1	0	0	0	111.4	V478 V509 L532 L535 G561 L568	V478-L564 HydrophobicContact CG2-CB 4.49Å; V478-L564 HydrophobicContact CG2-CD1 4.11Å; V509-L564 HydrophobicContact CG2-CD1 3.68Å; L532-L564 HydrophobicContact CB-CD2 4.28Å; L535-L564 HydrophobicContact CD2-CB 4.34Å; G561-L564 PolarHBondContact O-N 2.83Å; G561-L564 VanDerWaalsContact O-N 3.17Å; L564-L568 WeakPolarHBondContact O-CB 3.29Å; L564-L568 PolarHBondContact O-N 3.19Å
565	A	98.7	Very high	97.9	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-62	-54	175.8	0	0	0	0	0	112.3	L555 A557 G561 A567 L568 C569 L581	L555-A565 HydrophobicContact CD2-CB 3.49Å; L555-A565 VanDerWaalsContact CD2-CB 3.49Å; A557-A565 HydrophobicContact CB-CB 3.87Å; G561-A565 PolarHBondContact O-N 2.95Å; G561-A565 VanDerWaalsContact O-N 3.1Å; A565-A567 VanDerWaalsContact C-N 3.33Å; A565-A567 PolarHBondContact O-N 3.17Å; A565-L568 WeakPolarHBondContact O-CB 3.39Å; A565-L568 PolarHBondContact O-N 2.94Å; A565-C569 PolarHBondContact O-N 3.04Å; A565-C569 PolarHBondContact O-SG 2.96Å; A565-L581 HydrophobicContact CB-CD2 3.63Å
566	G	98.6	Very high	97.9	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-66.5	-31.8	179	0	0	0	0	0	113.3	G562 C569 N570	G562-G566 PolarHBondContact O-N 2.7Å; G566-C569 PolarHBondContact O-N 2.99Å; G566-N570 PolarHBondContact O-N 3.11Å; G566-N570 PolarHBondContact O-ND2 3.4Å
567	A	98.8	Very high	97.9	Very high	4 Å²	4	18.2 Å²	18.2	3%	0.033	9%	0.093	C	C	.	.	H	α-helix	trans	-66	-40.3	172	0	0	0	0	0	111.7	L532 V563 A565 N570 S571 Y623	L532-A567 HydrophobicContact CD1-CB 4.04Å; L532-A567 HydrophobicContact CD2-CB 3.95Å; V563-A567 WeakPolarHBondContact O-CB 3.05Å; V563-A567 PolarHBondContact O-N 3.46Å; A565-A567 VanDerWaalsContact C-N 3.33Å; A565-A567 PolarHBondContact O-N 3.17Å; A567-N570 PolarHBondContact O-N 2.8Å; A567-S571 PolarHBondContact O-N 3.07Å; A567-S571 PolarHBondContact O-OG 3.22Å; A567-Y623 WeakPolarHBondContact CB-O 3.47Å
568	L	98.8	Very high	98	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-65.8	-41.7	175.2	-170.6	70.6	0	0	0	111.8	L532 L535 E536 I539 L555 L564 A565 N570 S571 N572 L575 L576	L532-L568 HydrophobicContact CD1-CB 3.86Å; L532-L568 HydrophobicContact CD1-CD1 4.06Å; L535-L568 HydrophobicContact CD2-CB 4.26Å; L535-L568 HydrophobicContact CD2-CD2 3.78Å; L535-L568 HydrophobicContact CG-CD2 4.02Å; E536-L568 HydrophobicContact CB-CD1 4.42Å; I539-L568 HydrophobicContact CD1-CD2 3.55Å; L555-L568 HydrophobicContact CD1-CD2 4.35Å; L564-L568 WeakPolarHBondContact O-CB 3.29Å; L564-L568 PolarHBondContact O-N 3.19Å; A565-L568 WeakPolarHBondContact O-CB 3.39Å; A565-L568 PolarHBondContact O-N 2.94Å; L568-N570 PolarHBondContact O-N 3.11Å; L568-S571 PolarHBondContact O-N 3.2Å; L568-N572 HydrophobicContact CD1-CB 3.98Å; L568-N572 CarbonylContact O-C 3.58Å; L568-N572 VanDerWaalsContact O-C 3.31Å; L568-N572 PolarHBondContact O-N 3.47Å; L568-L575 HydrophobicContact CD1-CD1 4.31Å; L568-L576 HydrophobicContact CD2-CD1 3.99Å; L568-L576 HydrophobicContact CD2-CG 4.42Å
569	C	98.7	Very high	98.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	8%	0.079	C	C	.	.	H	α-helix	trans	-58.1	-30.1	173	-65.7	0	0	0	0	112.9	A565 G566 P573 Q632 Y634 P635	A565-C569 PolarHBondContact O-N 3.04Å; A565-C569 PolarHBondContact O-SG 2.96Å; G566-C569 PolarHBondContact O-N 2.99Å; C569-P573 WeakPolarHBondContact O-CB 3.43Å; C569-Q632 PolarHBondContact O-NE2 2.71Å; C569-Y634 HydrophobicContact CB-CD1 4.29Å; C569-Y634 VanDerWaalsContact O-CD1 3.28Å; C569-Y634 WeakPolarHBondContact O-CD1 3.13Å; C569-Y634 VanDerWaalsContact O-CE1 3.25Å; C569-Y634 WeakPolarHBondContact O-CE1 3.15Å; C569-P635 HydrophobicContact CB-CG 4.39Å
570	N	98.6	Very high	98.3	Very high	8 Å²	8	15 Å²	15	4%	0.043	8%	0.077	C	C	.	.	H	α-helix	trans	-82.1	-34.6	175.3	-75.6	-41	0	0	0	113.8	G566 A567 L568 P625 N628 I629 K630 Q632 Y634	G566-N570 PolarHBondContact O-N 3.11Å; G566-N570 PolarHBondContact O-ND2 3.4Å; A567-N570 PolarHBondContact O-N 2.8Å; L568-N570 PolarHBondContact O-N 3.11Å; N570-P625 PolarHBondContact ND2-O 2.91Å; N570-N628 HydrophobicContact CB-CB 4.17Å; N570-N628 PolarHBondContact OD1-O 2.78Å; N570-I629 WeakPolarHBondContact OD1-CA 3.31Å; N570-I629 PolarHBondContact OD1-N 3.36Å; N570-K630 PolarHBondContact O-NZ 2.76Å; N570-Q632 PolarHBondContact O-NE2 3.28Å; N570-Y634 WeakPolarHBondContact OD1-CE1 3.45Å; N570-Y634 PolarHBondContact OD1-OH 2.91Å
571	S	98.1	Very high	98.3	Very high	54 Å²	54	15 Å²	15	38%	0.378	8%	0.076	S	C	.	.	H	α-helix	trans	-93.2	-38.7	-173.2	74.2	0	0	0	0	114.3	A567 L568	A567-S571 PolarHBondContact O-N 3.07Å; A567-S571 PolarHBondContact O-OG 3.22Å; L568-S571 PolarHBondContact O-N 3.2Å
572	N	98.3	Very high	98.2	Very high	29 Å²	29	16 Å²	16	16%	0.155	8%	0.081	C	C	.	.			trans	-143.2	58.2	-174.8	-68.3	95	0	0	0	111.7	L568 E574 L575	L568-N572 HydrophobicContact CD1-CB 3.98Å; L568-N572 CarbonylContact O-C 3.58Å; L568-N572 VanDerWaalsContact O-C 3.31Å; L568-N572 PolarHBondContact O-N 3.47Å; N572-E574 WeakPolarHBondContact CA-OE2 3.41Å; N572-E574 WeakPolarHBondContact CB-OE1 3.29Å; N572-E574 PolarHBondContact ND2-OE1 3.31Å; N572-E574 PolarHBondContact O-N 3.43Å; N572-E574 VanDerWaalsContact O-N 3.16Å; N572-L575 HydrophobicContact CB-CD1 3.68Å; N572-L575 HydrophobicContact CB-CG 4.05Å; N572-L575 PolarHBondContact O-N 3.31Å
573	P	97.6	Very high	98	Very high	11 Å²	11	16 Å²	16	7%	0.071	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-56.8	-27.8	177.9	24.7	-34.2	0	0	0	112.7	C569 L575 L576 H633	C569-P573 WeakPolarHBondContact O-CB 3.43Å; P573-L575 PolarHBondContact O-N 2.93Å; P573-L575 VanDerWaalsContact O-N 3.1Å; P573-L576 PolarHBondContact O-N 3.1Å; P573-L576 VanDerWaalsContact O-O 3.12Å; P573-H633 VanDerWaalsContact CB-O 3.3Å; P573-H633 WeakPolarHBondContact CB-O 3.3Å; P573-H633 VanDerWaalsContact CG-O 3.29Å; P573-H633 WeakPolarHBondContact CG-O 3.48Å
574	E	97.2	Very high	97.9	Very high	103 Å²	103	16 Å²	16	48%	0.481	8%	0.081	S	C	.	.	G	3₁₀ helix	trans	-65.2	-11.2	-178.3	76.8	-70.4	167	0	0	115	P550 N572	P550-E574 VanDerWaalsContact CB-O 3.24Å; P550-E574 WeakPolarHBondContact CB-O 3.48Å; N572-E574 WeakPolarHBondContact CA-OE2 3.41Å; N572-E574 WeakPolarHBondContact CB-OE1 3.29Å; N572-E574 PolarHBondContact ND2-OE1 3.31Å; N572-E574 PolarHBondContact O-N 3.43Å; N572-E574 VanDerWaalsContact O-N 3.16Å
575	L	98.3	Very high	97.9	Very high	11 Å²	11	16.1 Å²	16.1	6%	0.058	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-84.9	-14	178.2	-63.7	177.7	0	0	0	113.7	E536 I539 K540 L568 N572 P573	E536-L575 HydrophobicContact CG-CD1 4.2Å; I539-L575 HydrophobicContact CG2-CB 4.22Å; K540-L575 HydrophobicContact CG-CD2 4.11Å; L568-L575 HydrophobicContact CD1-CD1 4.31Å; N572-L575 HydrophobicContact CB-CD1 3.68Å; N572-L575 HydrophobicContact CB-CG 4.05Å; N572-L575 PolarHBondContact O-N 3.31Å; P573-L575 PolarHBondContact O-N 2.93Å; P573-L575 VanDerWaalsContact O-N 3.1Å
576	L	98.4	Very high	97.9	Very high	9 Å²	9	16.2 Å²	16.2	5%	0.047	8%	0.082	C	C	.	.			trans	-128.4	144	-171.6	-60.3	178.3	0	0	0	110.8	I539 T553 L555 L568 P573 V579 P635	I539-L576 HydrophobicContact CD1-CD2 4.23Å; T553-L576 HydrophobicContact CG2-CD2 3.98Å; L555-L576 HydrophobicContact CB-CD1 4.11Å; L555-L576 HydrophobicContact CB-CD2 3.97Å; L555-L576 HydrophobicContact CD1-CD1 4.28Å; L555-L576 HydrophobicContact CD1-CD2 4.49Å; L568-L576 HydrophobicContact CD2-CD1 3.99Å; L568-L576 HydrophobicContact CD2-CG 4.42Å; P573-L576 PolarHBondContact O-N 3.1Å; P573-L576 VanDerWaalsContact O-O 3.12Å; L576-V579 HydrophobicContact CD1-CG2 3.78Å; L576-P635 HydrophobicContact CB-CB 4.02Å; L576-P635 HydrophobicContact CB-CG 4.22Å
577	R	98.5	Very high	97.8	Very high	78 Å²	78	16.7 Å²	16.7	29%	0.294	9%	0.085	S	C	.	.	S	Bend	trans	-94.7	-43.3	170.1	177.2	55.6	-179.9	167.1	7.3	112	T553 P635 S636 E709 L710	T553-R577 PolarHBondContact O-N 2.88Å; R577-P635 WeakPolarHBondContact O-CA 3.18Å; R577-P635 WeakPolarHBondContact O-CB 3.33Å; R577-S636 PolarHBondContact O-N 3.12Å; R577-S636 VanDerWaalsContact O-N 3.11Å; R577-E709 PolarHBondContact NE-O 3.18Å; R577-E709 PolarHBondContact NH2-O 3.38Å; R577-E709 IonicContact NH2-OE2 2.71Å; R577-L710 HydrophobicContact CB-CD2 3.84Å; R577-L710 HydrophobicContact CG-CD2 3.46Å; R577-L710 VanDerWaalsContact CG-CD2 3.46Å
578	A	98.7	Very high	97.8	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	156.4	-179.8	0	0	0	0	0	112.9	T554 L555 S636 F705 L706 E709	T554-A578 CarbonylContact C-O 3.59Å; T554-A578 WeakPolarHBondContact CA-O 2.86Å; T554-A578 VanDerWaalsContact CB-O 3.23Å; T554-A578 WeakPolarHBondContact CB-O 3.38Å; T554-A578 HydrophobicContact CG2-CB 3.94Å; L555-A578 PolarHBondContact N-O 3.09Å; L555-A578 VanDerWaalsContact N-O 3.09Å; A578-S636 CarbonylContact C-O 3.57Å; A578-S636 VanDerWaalsContact CA-O 3.22Å; A578-S636 WeakPolarHBondContact CA-O 3.41Å; A578-F705 HydrophobicContact CB-CE1 4.04Å; A578-F705 HydrophobicContact CB-CZ 4.2Å; A578-L706 HydrophobicContact CB-CD2 4.19Å; A578-E709 HydrophobicContact CB-CB 3.71Å; A578-E709 HydrophobicContact CB-CG 3.96Å
579	V	98.7	Very high	97.7	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	133.1	-178.8	-170	0	0	0	0	111.1	L555 L576 L581 P635 S636 V637 H638 F705	L555-V579 HydrophobicContact CB-CG1 4.31Å; L555-V579 HydrophobicContact CB-CG2 4.44Å; L555-V579 HydrophobicContact CD2-CG1 3.86Å; L555-V579 CarbonylContact O-C 3.59Å; L555-V579 VanDerWaalsContact O-CA 3.25Å; L555-V579 WeakPolarHBondContact O-CA 3.29Å; L555-V579 WeakPolarHBondContact O-CG1 3.35Å; L576-V579 HydrophobicContact CD1-CG2 3.78Å; V579-L581 HydrophobicContact CG1-CD2 3.63Å; V579-L581 HydrophobicContact CG1-CG 3.82Å; V579-P635 HydrophobicContact CG2-CB 4.19Å; V579-P635 HydrophobicContact CG2-CG 3.92Å; V579-S636 PolarHBondContact N-O 3.29Å; V579-V637 WeakPolarHBondContact O-CA 3.46Å; V579-H638 PolarHBondContact O-N 3.25Å; V579-F705 WeakPolarHBondContact O-CE1 3.2Å
580	T	98.4	Very high	97.6	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.018	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	129.4	164.2	57.3	0	0	0	0	110.2	L555 T556 A557 H638 Q702 F705 L706	L555-T580 PolarHBondContact O-N 2.99Å; T556-T580 WeakPolarHBondContact CA-O 3.42Å; T556-T580 VanDerWaalsContact CB-OG1 3.32Å; T556-T580 WeakPolarHBondContact CB-OG1 3.21Å; T556-T580 PolarHBondContact OG1-OG1 3.22Å; T556-T580 VanDerWaalsContact OG1-OG1 3.07Å; A557-T580 PolarHBondContact N-O 2.99Å; A557-T580 VanDerWaalsContact N-O 3.14Å; T580-H638 WeakPolarHBondContact CA-O 3.2Å; T580-H638 HydrophobicContact CG2-CB 4.44Å; T580-Q702 HydrophobicContact CG2-CB 4.06Å; T580-Q702 HydrophobicContact CG2-CG 4.25Å; T580-F705 HydrophobicContact CG2-CD1 3.91Å; T580-F705 HydrophobicContact CG2-CE1 4.24Å; T580-L706 HydrophobicContact CG2-CD1 4.1Å; T580-L706 HydrophobicContact CG2-CD2 4.03Å; T580-L706 HydrophobicContact CG2-CG 3.91Å
581	L	97.4	Very high	97.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.2	-177.8	-64.1	-178.3	0	0	0	109.5	A557 A565 V579 P584 L586 V637 H638 I639 T640	A557-L581 HydrophobicContact CB-CD2 4.1Å; A557-L581 WeakPolarHBondContact O-CA 3.34Å; A565-L581 HydrophobicContact CB-CD2 3.63Å; V579-L581 HydrophobicContact CG1-CD2 3.63Å; V579-L581 HydrophobicContact CG1-CG 3.82Å; L581-P584 HydrophobicContact CB-CB 3.87Å; L581-P584 HydrophobicContact CB-CG 3.82Å; L581-P584 HydrophobicContact CD1-CB 4.47Å; L581-L586 HydrophobicContact CD1-CD1 4.28Å; L581-L586 HydrophobicContact CD1-CD2 4.34Å; L581-V637 HydrophobicContact CD1-CG1 3.85Å; L581-V637 HydrophobicContact CG-CG1 4.24Å; L581-H638 PolarHBondContact N-O 3.24Å; L581-I639 HydrophobicContact CB-CG1 4.28Å; L581-I639 HydrophobicContact CD1-CG1 4.32Å; L581-I639 CarbonylContact O-C 3.6Å; L581-I639 VanDerWaalsContact O-CA 3.32Å; L581-I639 WeakPolarHBondContact O-CA 3.43Å; L581-T640 PolarHBondContact O-N 3.33Å
582	E	94.3	Very high	97.5	Very high	20 Å²	20	18.5 Å²	18.5	9%	0.093	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	129.9	-176.6	-171.7	173.6	134.7	0	0	112.2	A557 F558 S559 P584 T640 Y642 K698 Q702	A557-E582 PolarHBondContact O-N 2.91Å; F558-E582 CarbonylContact C-O 3.51Å; F558-E582 VanDerWaalsContact CA-O 3.29Å; F558-E582 WeakPolarHBondContact CA-O 3.37Å; F558-E582 HydrophobicContact CD2-CB 4.09Å; F558-E582 HydrophobicContact CD2-CG 4.06Å; F558-E582 WeakPolarHBondContact CD2-O 3.43Å; S559-E582 PolarHBondContact N-O 3.04Å; E582-P584 VanDerWaalsContact O-N 3.13Å; E582-T640 WeakPolarHBondContact CA-O 3.39Å; E582-Y642 HydrophobicContact CG-CE2 4.33Å; E582-Y642 PolarHBondContact OE1-OH 3.32Å; E582-Y642 VanDerWaalsContact OE1-OH 3.1Å; E582-K698 VanDerWaalsContact CD-NZ 3.3Å; E582-K698 IonicContact OE1-NZ 3.83Å; E582-K698 PolarHBondContact OE1-NZ 2.77Å; E582-K698 WeakPolarHBondContact OE2-CD 3.37Å; E582-K698 WeakPolarHBondContact OE2-CE 3.17Å; E582-K698 IonicContact OE2-NZ 3.26Å; E582-K698 PolarHBondContact OE2-NZ 2.82Å; E582-Q702 PolarHBondContact OE2-NE2 3.17Å
583	A	94.7	Very high	97.4	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	40.8	42	-167.9	0	0	0	0	0	113.8	F558 S559 T640 Y642	F558-A583 HydrophobicContact CD2-CB 4.48Å; F558-A583 HydrophobicContact CE2-CB 4.07Å; S559-A583 WeakPolarHBondContact CA-O 3.46Å; A583-T640 PolarHBondContact N-O 3.38Å; A583-Y642 HydrophobicContact CB-CD2 4.24Å; A583-Y642 HydrophobicContact CB-CE2 4.16Å
584	P	97.1	Very high	97.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.			trans	-79.3	131.9	-156.3	33.7	-39.2	0	0	0	112.9	L581 E582 L586 I639 I653	L581-P584 HydrophobicContact CB-CB 3.87Å; L581-P584 HydrophobicContact CB-CG 3.82Å; L581-P584 HydrophobicContact CD1-CB 4.47Å; E582-P584 VanDerWaalsContact O-N 3.13Å; P584-L586 HydrophobicContact CB-CD1 3.97Å; P584-L586 HydrophobicContact CB-CD2 4.38Å; P584-L586 HydrophobicContact CB-CG 3.93Å; P584-L586 HydrophobicContact CG-CD1 3.58Å; P584-L586 HydrophobicContact CG-CG 4.06Å; P584-L586 PolarHBondContact O-N 2.93Å; P584-L586 VanDerWaalsContact O-N 3.15Å; P584-I639 HydrophobicContact CG-CG2 3.69Å; P584-I653 HydrophobicContact CG-CD1 4.43Å; P584-I653 HydrophobicContact CG-CG1 4.39Å; P584-I653 WeakPolarHBondContact O-CG1 3.23Å
585	F	97.8	Very high	96.8	Very high	6 Å²	6	21.8 Å²	21.8	3%	0.026	11%	0.111	C	C	.	.			trans	-77.2	105.6	174.7	-170.6	-159.7	0	0	0	110.3	S559 G562 V563 V588 T591 W607 V648	S559-F585 PolarHBondContact O-N 2.67Å; G562-F585 CarbonylContact C-O 3.38Å; V563-F585 HydrophobicContact CG2-CB 4.09Å; V563-F585 HydrophobicContact CG2-CD1 3.98Å; V563-F585 HydrophobicContact CG2-CG 4.2Å; V563-F585 WeakPolarHBondContact CG2-O 3.16Å; V563-F585 PolarHBondContact N-O 3.37Å; F585-V588 HydrophobicContact CD1-CG2 4.13Å; F585-V588 HydrophobicContact CD2-CG2 4.45Å; F585-V588 HydrophobicContact CE1-CB 4.32Å; F585-V588 HydrophobicContact CE1-CG1 4.02Å; F585-V588 HydrophobicContact CE1-CG2 4.05Å; F585-V588 HydrophobicContact CE2-CB 4.47Å; F585-V588 HydrophobicContact CE2-CG2 4.35Å; F585-V588 HydrophobicContact CG-CG2 4.35Å; F585-V588 HydrophobicContact CZ-CB 4.12Å; F585-V588 HydrophobicContact CZ-CG1 4.06Å; F585-V588 HydrophobicContact CZ-CG2 4.17Å; F585-T591 HydrophobicContact CE2-CG2 3.71Å; F585-T591 HydrophobicContact CZ-CG2 3.7Å; F585-W607 HydrophobicContact CD1-CH2 4.27Å; F585-W607 AromaticContact CD1-CZ2 3.75Å; F585-W607 HydrophobicContact CD1-CZ2 3.75Å; F585-W607 HydrophobicContact CE1-CD2 4.36Å; F585-W607 AromaticContact CE1-CE2 3.72Å; F585-W607 AromaticContact CE1-CZ2 3.9Å; F585-W607 HydrophobicContact CE1-CZ2 3.9Å; F585-W607 AromaticContact CE1-NE1 3.68Å; F585-V648 HydrophobicContact CB-CG1 4.37Å; F585-V648 HydrophobicContact CB-CG2 4.26Å
586	L	98.3	Very high	96.3	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	14%	0.143	C	C	.	.			trans	-120.5	-19.2	-170	-66.3	171.5	0	0	0	115.1	G562 L581 P584 P625 Y626 I639 Y656	G562-L586 WeakPolarHBondContact O-CD2 3.37Å; L581-L586 HydrophobicContact CD1-CD1 4.28Å; L581-L586 HydrophobicContact CD1-CD2 4.34Å; P584-L586 HydrophobicContact CB-CD1 3.97Å; P584-L586 HydrophobicContact CB-CD2 4.38Å; P584-L586 HydrophobicContact CB-CG 3.93Å; P584-L586 HydrophobicContact CG-CD1 3.58Å; P584-L586 HydrophobicContact CG-CG 4.06Å; P584-L586 PolarHBondContact O-N 2.93Å; P584-L586 VanDerWaalsContact O-N 3.15Å; L586-P625 HydrophobicContact CB-CB 4.45Å; L586-P625 HydrophobicContact CD2-CB 3.92Å; L586-P625 HydrophobicContact CD2-CG 3.98Å; L586-P625 WeakPolarHBondContact O-CB 3.16Å; L586-P625 WeakPolarHBondContact O-CD 3.34Å; L586-Y626 WeakPolarHBondContact O-CB 3.46Å; L586-Y626 PolarHBondContact O-N 3.28Å; L586-I639 HydrophobicContact CD1-CD1 4.26Å; L586-Y656 HydrophobicContact CB-CD2 3.76Å; L586-Y656 HydrophobicContact CB-CE2 4.33Å; L586-Y656 HydrophobicContact CB-CG 3.91Å; L586-Y656 HydrophobicContact CD1-CD1 3.58Å; L586-Y656 HydrophobicContact CD1-CD2 4.19Å; L586-Y656 HydrophobicContact CD1-CE1 3.82Å; L586-Y656 HydrophobicContact CD1-CE2 4.41Å; L586-Y656 HydrophobicContact CD1-CG 3.78Å; L586-Y656 HydrophobicContact CD2-CD2 4.45Å; L586-Y656 HydrophobicContact CD2-CE2 4.17Å; L586-Y656 HydrophobicContact CG-CD2 4.35Å; L586-Y656 HydrophobicContact CG-CG 4.37Å
587	D	97.6	Very high	95.9	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.059	15%	0.151	C	C	.	.			trans	-115.9	57	176.1	-166.8	5.4	0	0	0	112.4	L589 N590 T591 Y626	D587-L589 PolarHBondContact O-N 3.14Å; D587-L589 VanDerWaalsContact O-N 3.12Å; D587-N590 PolarHBondContact O-N 2.7Å; D587-N590 PolarHBondContact OD1-N 2.9Å; D587-N590 PolarHBondContact OD1-ND2 3.27Å; D587-N590 WeakPolarHBondContact OD2-CB 3.3Å; D587-N590 PolarHBondContact OD2-ND2 2.79Å; D587-T591 PolarHBondContact O-N 3.06Å; D587-T591 VanDerWaalsContact O-N 3.14Å; D587-T591 PolarHBondContact O-OG1 2.96Å; D587-Y626 HydrophobicContact CB-CD1 4.31Å; D587-Y626 HydrophobicContact CB-CG 4.25Å; D587-Y626 WeakPolarHBondContact OD1-CD1 3.34Å; D587-Y626 WeakPolarHBondContact OD2-CD1 3.26Å
588	V	97.9	Very high	95.1	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-50.8	-37.9	-179.1	-170.1	0	0	0	0	112.4	V563 F585 M592 W607 I620 Y623 C624	V563-V588 HydrophobicContact CB-CG2 4.35Å; V563-V588 HydrophobicContact CG1-CG2 3.94Å; V563-V588 HydrophobicContact CG2-CG2 3.45Å; V563-V588 VanDerWaalsContact CG2-CG2 3.45Å; F585-V588 HydrophobicContact CD1-CG2 4.13Å; F585-V588 HydrophobicContact CD2-CG2 4.45Å; F585-V588 HydrophobicContact CE1-CB 4.32Å; F585-V588 HydrophobicContact CE1-CG1 4.02Å; F585-V588 HydrophobicContact CE1-CG2 4.05Å; F585-V588 HydrophobicContact CE2-CB 4.47Å; F585-V588 HydrophobicContact CE2-CG2 4.35Å; F585-V588 HydrophobicContact CG-CG2 4.35Å; F585-V588 HydrophobicContact CZ-CB 4.12Å; F585-V588 HydrophobicContact CZ-CG1 4.06Å; F585-V588 HydrophobicContact CZ-CG2 4.17Å; V588-M592 HydrophobicContact CG1-CG 4.1Å; V588-M592 WeakPolarHBondContact O-CB 3.38Å; V588-M592 WeakPolarHBondContact O-CG 3.37Å; V588-M592 PolarHBondContact O-N 2.81Å; V588-W607 HydrophobicContact CG1-CB 4.28Å; V588-W607 HydrophobicContact CG1-CD2 4Å; V588-W607 HydrophobicContact CG1-CE3 3.97Å; V588-W607 HydrophobicContact CG1-CG 4.11Å; V588-I620 HydrophobicContact CB-CG2 4.15Å; V588-I620 HydrophobicContact CG1-CG2 3.84Å; V588-Y623 HydrophobicContact CG1-CE2 4.3Å; V588-Y623 HydrophobicContact CG2-CE2 4.5Å; V588-C624 HydrophobicContact CB-CB 4.31Å; V588-C624 PolarHBondContact N-SG 2.85Å
589	L	97.9	Very high	94.6	Very high	14 Å²	14	27.2 Å²	27.2	7%	0.073	15%	0.152	C	C	.	.	H	α-helix	trans	-70.2	-46.6	-175.5	-173.3	61.6	0	0	0	112.1	D587 M593 P610 K617 I620 K621 C624 Q627	D587-L589 PolarHBondContact O-N 3.14Å; D587-L589 VanDerWaalsContact O-N 3.12Å; L589-M593 WeakPolarHBondContact O-CG 3.32Å; L589-M593 PolarHBondContact O-N 2.81Å; L589-P610 HydrophobicContact CD1-CB 4.04Å; L589-K617 HydrophobicContact CD1-CG 4.26Å; L589-I620 HydrophobicContact CB-CG2 4.04Å; L589-I620 HydrophobicContact CD1-CB 4.12Å; L589-I620 HydrophobicContact CD1-CG2 3.89Å; L589-K621 HydrophobicContact CD2-CB 4.01Å; L589-K621 HydrophobicContact CD2-CD 4.37Å; L589-K621 HydrophobicContact CD2-CG 4.12Å; L589-C624 HydrophobicContact CB-CB 4.27Å; L589-C624 PolarHBondContact N-SG 3.49Å; L589-C624 VanDerWaalsContact N-SG 3.37Å; L589-Q627 HydrophobicContact CB-CG 3.89Å; L589-Q627 HydrophobicContact CD2-CG 3.86Å
590	N	96.9	Very high	94.2	Very high	74 Å²	74	27.2 Å²	27.2	40%	0.396	15%	0.152	S	C	.	.	H	α-helix	trans	-75.8	-36.9	-176.5	-64.6	-29.6	0	0	0	111.6	D587 M593 D594	D587-N590 PolarHBondContact O-N 2.7Å; D587-N590 PolarHBondContact OD1-N 2.9Å; D587-N590 PolarHBondContact OD1-ND2 3.27Å; D587-N590 WeakPolarHBondContact OD2-CB 3.3Å; D587-N590 PolarHBondContact OD2-ND2 2.79Å; N590-M593 PolarHBondContact O-N 2.87Å; N590-D594 PolarHBondContact O-N 3.22Å
591	T	96.3	Very high	93.8	Very high	17 Å²	17	29.2 Å²	29.2	10%	0.104	16%	0.162	C	C	.	.	H	α-helix	trans	-60.5	-48.3	172.4	-68	0	0	0	0	111.6	F585 D587 M593 D594 L597 T600	F585-T591 HydrophobicContact CE2-CG2 3.71Å; F585-T591 HydrophobicContact CZ-CG2 3.7Å; D587-T591 PolarHBondContact O-N 3.06Å; D587-T591 VanDerWaalsContact O-N 3.14Å; D587-T591 PolarHBondContact O-OG1 2.96Å; T591-M593 PolarHBondContact O-N 2.93Å; T591-D594 PolarHBondContact O-N 2.71Å; T591-L597 HydrophobicContact CG2-CD1 3.88Å; T591-T600 PolarHBondContact O-OG1 3.3Å
592	M	96.8	Very high	93.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-72.1	-11.6	-179.7	-64.6	-55.1	-60	0	0	113.9	V588 T600 E603 L604 W607 P610	V588-M592 HydrophobicContact CG1-CG 4.1Å; V588-M592 WeakPolarHBondContact O-CB 3.38Å; V588-M592 WeakPolarHBondContact O-CG 3.37Å; V588-M592 PolarHBondContact O-N 2.81Å; M592-T600 HydrophobicContact CE-CG2 4.13Å; M592-T600 WeakPolarHBondContact CE-O 3.28Å; M592-T600 HydrophobicContact SD-CG2 4.22Å; M592-E603 HydrophobicContact CE-CB 3.75Å; M592-E603 HydrophobicContact SD-CB 3.69Å; M592-L604 HydrophobicContact CE-CD2 3.59Å; M592-L604 HydrophobicContact CE-CG 4.37Å; M592-W607 HydrophobicContact CE-CB 4.3Å; M592-W607 HydrophobicContact CG-CB 4.09Å; M592-W607 HydrophobicContact CG-CG 4.31Å; M592-W607 HydrophobicContact SD-CB 4.42Å; M592-W607 HydrophobicContact SD-CG 4.32Å; M592-P610 VanDerWaalsContact C-CG 3.46Å; M592-P610 HydrophobicContact CB-CG 3.67Å; M592-P610 WeakPolarHBondContact O-CD 3.42Å; M592-P610 VanDerWaalsContact O-CG 3.23Å; M592-P610 WeakPolarHBondContact O-CG 3.39Å
593	M	95.8	Very high	93.2	Very high	80 Å²	80	30.4 Å²	30.4	39%	0.394	17%	0.168	S	C	.	.	H	α-helix	trans	-80.7	-22.7	167.9	-75.6	-70.5	-52.4	0	0	112.8	L589 N590 T591 P610 K617	L589-M593 WeakPolarHBondContact O-CG 3.32Å; L589-M593 PolarHBondContact O-N 2.81Å; N590-M593 PolarHBondContact O-N 2.87Å; T591-M593 PolarHBondContact O-N 2.93Å; M593-P610 HydrophobicContact CG-CB 4.34Å; M593-P610 HydrophobicContact CG-CG 4.03Å; M593-P610 VanDerWaalsContact SD-C 3.51Å; M593-P610 HydrophobicContact SD-CB 3.8Å; M593-P610 HydrophobicContact SD-CG 3.93Å; M593-K617 HydrophobicContact SD-CD 4.44Å
594	D	93.8	Very high	93.2	Very high	65 Å²	65	32.2 Å²	32.2	35%	0.348	18%	0.177	S	C	.	.			trans	-99.9	97.6	-176.8	-169	-16.5	0	0	0	111.6	N590 T591 T596 L597 T600	N590-D594 PolarHBondContact O-N 3.22Å; T591-D594 PolarHBondContact O-N 2.71Å; D594-T596 PolarHBondContact O-N 2.82Å; D594-T596 VanDerWaalsContact OD1-CB 3.31Å; D594-T596 WeakPolarHBondContact OD1-CB 3.23Å; D594-T596 PolarHBondContact OD1-N 3.27Å; D594-T596 PolarHBondContact OD1-OG1 3.44Å; D594-L597 HydrophobicContact CB-CD1 3.97Å; D594-L597 HydrophobicContact CB-CG 4.17Å; D594-T600 VanDerWaalsContact O-CB 3.31Å; D594-T600 WeakPolarHBondContact O-CB 3.13Å; D594-T600 WeakPolarHBondContact O-CG2 3.49Å; D594-T600 PolarHBondContact O-OG1 3.43Å
595	T	88.8	Confident	92.9	Very high	67 Å²	67	33.8 Å²	33.8	41%	0.411	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	2.3	178.4	58.1	0	0	0	0	114	T600 L601	T595-T600 HydrophobicContact CG2-CG2 4.41Å; T595-L601 HydrophobicContact CG2-CD2 3.99Å
596	T	88.3	Confident	92.8	Very high	118 Å²	118	33.6 Å²	33.6	72%	0.724	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-17.9	175.4	72.7	0	0	0	0	113	D594	D594-T596 PolarHBondContact O-N 2.82Å; D594-T596 VanDerWaalsContact OD1-CB 3.31Å; D594-T596 WeakPolarHBondContact OD1-CB 3.23Å; D594-T596 PolarHBondContact OD1-N 3.27Å; D594-T596 PolarHBondContact OD1-OG1 3.44Å
597	L	89.3	Confident	92.7	Very high	41 Å²	41	33.5 Å²	33.5	22%	0.215	18%	0.183	C	C	.	.	S	Bend	trans	-69.8	154	179.2	-61.7	172.2	0	0	0	112.4	R226 T591 D594 L599 P649	R226-L597 PolarHBondContact NH2-O 2.84Å; T591-L597 HydrophobicContact CG2-CD1 3.88Å; D594-L597 HydrophobicContact CB-CD1 3.97Å; D594-L597 HydrophobicContact CB-CG 4.17Å; L597-L599 PolarHBondContact O-N 2.85Å; L597-P649 HydrophobicContact CD1-CG 3.94Å; L597-P649 HydrophobicContact CD2-CG 4.26Å
598	P	82.8	Confident	92.6	Very high	31 Å²	31	33 Å²	33	20%	0.201	18%	0.181	C	C	.	.	S	Bend	trans	-53.4	-46.6	-173.3	-31.2	38.3	0	0	0	115	L225 R226	L225-P598 HydrophobicContact CB-CB 4.4Å; L225-P598 HydrophobicContact CD1-CB 4.23Å; L225-P598 HydrophobicContact CG-CB 4.4Å; R226-P598 PolarHBondContact NE-O 3.03Å; R226-P598 PolarHBondContact NH2-O 3.12Å
599	L	87.4	Confident	92.5	Very high	21 Å²	21	34.8 Å²	34.8	11%	0.11	19%	0.19	C	C	.	.	S	Bend	trans	-101.9	-17.1	-170.3	-57.9	-176.3	0	0	0	115.4	L225 L597 L601 E602 E603 R647	L225-L599 HydrophobicContact CB-CD2 4.06Å; L225-L599 HydrophobicContact CD1-CD1 4.32Å; L225-L599 HydrophobicContact CD1-CD2 4.08Å; L225-L599 HydrophobicContact CD1-CG 4.17Å; L597-L599 PolarHBondContact O-N 2.85Å; L599-L601 PolarHBondContact O-N 3.1Å; L599-E602 PolarHBondContact O-N 3.03Å; L599-E603 HydrophobicContact CB-CG 3.95Å; L599-E603 WeakPolarHBondContact O-CG 3.4Å; L599-E603 PolarHBondContact O-N 2.91Å; L599-R647 HydrophobicContact CD1-CB 3.97Å; L599-R647 HydrophobicContact CD1-CG 3.98Å
600	T	91	Very high	92.5	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-49.1	-38.6	-167.6	-61.3	0	0	0	0	114.7	T591 M592 D594 T595 E603 L604	T591-T600 PolarHBondContact O-OG1 3.3Å; M592-T600 HydrophobicContact CE-CG2 4.13Å; M592-T600 WeakPolarHBondContact CE-O 3.28Å; M592-T600 HydrophobicContact SD-CG2 4.22Å; D594-T600 VanDerWaalsContact O-CB 3.31Å; D594-T600 WeakPolarHBondContact O-CB 3.13Å; D594-T600 WeakPolarHBondContact O-CG2 3.49Å; D594-T600 PolarHBondContact O-OG1 3.43Å; T595-T600 HydrophobicContact CG2-CG2 4.41Å; T600-E603 PolarHBondContact O-N 2.87Å; T600-L604 WeakPolarHBondContact O-CG 2.82Å; T600-L604 PolarHBondContact O-N 3.08Å
601	L	89.5	Confident	92.4	Very high	45 Å²	45	33.4 Å²	33.4	24%	0.236	19%	0.188	C	C	.	.	H	α-helix	trans	-68.6	-36.7	180	-62.9	-179	0	0	0	113.5	P250 T595 L599 E603 L604	P250-L601 HydrophobicContact CB-CD1 4.15Å; P250-L601 HydrophobicContact CG-CD1 3.99Å; T595-L601 HydrophobicContact CG2-CD2 3.99Å; L599-L601 PolarHBondContact O-N 3.1Å; L601-E603 VanDerWaalsContact C-N 3.34Å; L601-L604 HydrophobicContact CD2-CD1 4.37Å; L601-L604 WeakPolarHBondContact O-CG 3.41Å
602	E	87.8	Confident	92.3	Very high	35 Å²	35	37.1 Å²	37.1	16%	0.164	21%	0.214	C	C	.	.	H	α-helix	trans	-81.3	-19.2	177.7	-166.1	-130.3	141.6	0	0	111.4	F253 K272 L599	F253-E602 HydrophobicContact CD2-CG 4.16Å; F253-E602 HydrophobicContact CE2-CB 4.02Å; F253-E602 HydrophobicContact CE2-CG 3.6Å; F253-E602 HydrophobicContact CZ-CG 4.36Å; F253-E602 WeakPolarHBondContact CZ-OE2 3.34Å; K272-E602 WeakPolarHBondContact CE-OE1 3.42Å; K272-E602 WeakPolarHBondContact CG-OE1 3.44Å; K272-E602 PolarHBondContact NZ-O 3.16Å; K272-E602 IonicContact NZ-OE1 3.8Å; K272-E602 PolarHBondContact NZ-OE1 2.82Å; K272-E602 IonicContact NZ-OE2 3.35Å; L599-E602 PolarHBondContact O-N 3.03Å
603	E	92.4	Very high	92.3	Very high	11 Å²	11	39.6 Å²	39.6	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-82	-15.3	175	-72.7	-127.8	97	0	0	113.9	Y482 M592 L599 T600 L601 E605 E606 W607	Y482-E603 WeakPolarHBondContact CE1-OE1 3.47Å; Y482-E603 VanDerWaalsContact CZ-OE1 3.32Å; Y482-E603 PolarHBondContact OH-OE1 3.36Å; M592-E603 HydrophobicContact CE-CB 3.75Å; M592-E603 HydrophobicContact SD-CB 3.69Å; L599-E603 HydrophobicContact CB-CG 3.95Å; L599-E603 WeakPolarHBondContact O-CG 3.4Å; L599-E603 PolarHBondContact O-N 2.91Å; T600-E603 PolarHBondContact O-N 2.87Å; L601-E603 VanDerWaalsContact C-N 3.34Å; E603-E605 PolarHBondContact O-N 3.3Å; E603-E605 VanDerWaalsContact O-N 3.13Å; E603-E606 PolarHBondContact O-N 2.98Å; E603-W607 VanDerWaalsContact CD-NE1 3.34Å; E603-W607 PolarHBondContact O-N 3.45Å; E603-W607 VanDerWaalsContact O-N 3.11Å; E603-W607 PolarHBondContact OE1-NE1 2.9Å
604	L	93.3	Very high	92.3	Very high	37 Å²	37	40.6 Å²	40.6	19%	0.194	23%	0.231	C	C	.	.	H	α-helix	trans	-57.2	-30	-180	-61.5	178	0	0	0	112.8	L525 M592 T600 L601 E606 G608 N609	L525-L604 WeakPolarHBondContact CD2-O 3.49Å; M592-L604 HydrophobicContact CE-CD2 3.59Å; M592-L604 HydrophobicContact CE-CG 4.37Å; T600-L604 WeakPolarHBondContact O-CG 2.82Å; T600-L604 PolarHBondContact O-N 3.08Å; L601-L604 HydrophobicContact CD2-CD1 4.37Å; L601-L604 WeakPolarHBondContact O-CG 3.41Å; L604-E606 VanDerWaalsContact C-N 3.35Å; L604-G608 WeakPolarHBondContact O-CA 3.14Å; L604-G608 PolarHBondContact O-N 3.14Å; L604-N609 HydrophobicContact CD1-CB 4.44Å; L604-N609 HydrophobicContact CD2-CB 3.72Å; L604-N609 HydrophobicContact CG-CB 4.48Å
605	E	91.6	Very high	92.5	Very high	34 Å²	34	45.1 Å²	45.1	16%	0.159	25%	0.248	C	C	.	.	H	α-helix	trans	-78	-15.9	179.1	-59.5	-164.5	154.3	0	0	113.7	N271 T273 H297 R524 L525 E603	N271-E605 PolarHBondContact ND2-OE1 3.22Å; N271-E605 PolarHBondContact ND2-OE2 2.71Å; N271-E605 PolarHBondContact OD1-OE2 2.95Å; T273-E605 VanDerWaalsContact CB-OE2 3.31Å; T273-E605 WeakPolarHBondContact CB-OE2 3.24Å; T273-E605 HydrophobicContact CG2-CB 4.34Å; T273-E605 WeakPolarHBondContact CG2-OE2 3.05Å; T273-E605 PolarHBondContact N-OE2 2.72Å; T273-E605 VanDerWaalsContact N-OE2 3.13Å; T273-E605 PolarHBondContact OG1-OE1 3.38Å; T273-E605 VanDerWaalsContact OG1-OE1 3.08Å; T273-E605 PolarHBondContact OG1-OE2 3.26Å; H297-E605 IonicContact CE1-OE1 2.69Å; R524-E605 PolarHBondContact NH1-O 2.78Å; L525-E605 WeakPolarHBondContact CD2-O 3.43Å; E603-E605 PolarHBondContact O-N 3.3Å; E603-E605 VanDerWaalsContact O-N 3.13Å
606	E	95.4	Very high	92.9	Very high	1 Å²	1	43.9 Å²	43.9	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-93.6	-50	173	179.5	66.7	-164.5	0	0	111.6	A481 Y482 H520 L525 K528 E603 L604	A481-E606 WeakPolarHBondContact CA-OE1 3.38Å; Y482-E606 HydrophobicContact CD1-CB 3.8Å; Y482-E606 HydrophobicContact CD1-CG 3.61Å; Y482-E606 HydrophobicContact CE1-CB 3.8Å; Y482-E606 HydrophobicContact CE1-CG 3.62Å; Y482-E606 PolarHBondContact N-OE1 3.38Å; Y482-E606 PolarHBondContact N-OE2 3.03Å; H520-E606 IonicContact CD2-OE2 3.3Å; H520-E606 IonicContact CE1-OE2 3.41Å; H520-E606 IonicContact NE2-OE2 2.81Å; H520-E606 PolarHBondContact NE2-OE2 2.85Å; L525-E606 PolarHBondContact N-O 2.72Å; K528-E606 IonicContact NZ-OE1 3.59Å; K528-E606 PolarHBondContact NZ-OE1 3.09Å; E603-E606 PolarHBondContact O-N 2.98Å; L604-E606 VanDerWaalsContact C-N 3.35Å
607	W	96.5	Very high	93.4	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-99.7	-27	-170.6	-46.5	105.3	0	0	0	113.9	A481 Y482 K528 A560 V563 F585 V588 M592 E603 I620 Y623	A481-W607 HydrophobicContact CB-CH2 4.47Å; Y482-W607 HydrophobicContact CE1-CZ2 4.26Å; K528-W607 HydrophobicContact CD-CZ3 4.27Å; K528-W607 HydrophobicContact CG-CZ3 4.34Å; A560-W607 HydrophobicContact CB-CH2 4Å; A560-W607 HydrophobicContact CB-CZ2 3.87Å; V563-W607 HydrophobicContact CB-CH2 4.13Å; V563-W607 HydrophobicContact CB-CZ3 4.09Å; V563-W607 HydrophobicContact CG1-CH2 4.46Å; V563-W607 HydrophobicContact CG1-CZ3 3.92Å; V563-W607 HydrophobicContact CG2-CH2 3.56Å; V563-W607 HydrophobicContact CG2-CZ2 4.42Å; V563-W607 HydrophobicContact CG2-CZ3 3.79Å; F585-W607 HydrophobicContact CD1-CH2 4.27Å; F585-W607 AromaticContact CD1-CZ2 3.75Å; F585-W607 HydrophobicContact CD1-CZ2 3.75Å; F585-W607 HydrophobicContact CE1-CD2 4.36Å; F585-W607 AromaticContact CE1-CE2 3.72Å; F585-W607 AromaticContact CE1-CZ2 3.9Å; F585-W607 HydrophobicContact CE1-CZ2 3.9Å; F585-W607 AromaticContact CE1-NE1 3.68Å; V588-W607 HydrophobicContact CG1-CB 4.28Å; V588-W607 HydrophobicContact CG1-CD2 4Å; V588-W607 HydrophobicContact CG1-CE3 3.97Å; V588-W607 HydrophobicContact CG1-CG 4.11Å; M592-W607 HydrophobicContact CE-CB 4.3Å; M592-W607 HydrophobicContact CG-CB 4.09Å; M592-W607 HydrophobicContact CG-CG 4.31Å; M592-W607 HydrophobicContact SD-CB 4.42Å; M592-W607 HydrophobicContact SD-CG 4.32Å; E603-W607 VanDerWaalsContact CD-NE1 3.34Å; E603-W607 PolarHBondContact O-N 3.45Å; E603-W607 VanDerWaalsContact O-N 3.11Å; E603-W607 PolarHBondContact OE1-NE1 2.9Å; W607-I620 WeakPolarHBondContact O-CD1 3.47Å; W607-I620 WeakPolarHBondContact O-CG1 3.16Å; W607-Y623 HydrophobicContact CE3-CE2 4.19Å; W607-Y623 HydrophobicContact CZ3-CE2 4.35Å
608	G	95.5	Very high	93.8	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	23%	0.229	C	C	.	.			trans	100.6	169.4	-170.7	0	0	0	0	0	112.3	L525 L604 P610	L525-G608 VanDerWaalsContact CD2-N 3.32Å; L604-G608 WeakPolarHBondContact O-CA 3.14Å; L604-G608 PolarHBondContact O-N 3.14Å; G608-P610 VanDerWaalsContact O-CD 3.25Å; G608-P610 WeakPolarHBondContact O-CD 3.46Å
609	N	95.8	Very high	94.5	Very high	36 Å²	36	43.7 Å²	43.7	19%	0.193	23%	0.225	C	C	.	.			trans	-104.5	98.5	-179.4	-175.9	-29.6	0	0	0	111	L604 S611 S612 D613 H616	L604-N609 HydrophobicContact CD1-CB 4.44Å; L604-N609 HydrophobicContact CD2-CB 3.72Å; L604-N609 HydrophobicContact CG-CB 4.48Å; N609-S611 PolarHBondContact OD1-N 2.85Å; N609-S611 VanDerWaalsContact OD1-N 3.13Å; N609-S611 PolarHBondContact OD1-OG 2.91Å; N609-S612 PolarHBondContact ND2-OG 2.88Å; N609-S612 PolarHBondContact OD1-N 3.18Å; N609-S612 PolarHBondContact OD1-OG 2.73Å; N609-D613 WeakPolarHBondContact O-CB 3.42Å; N609-D613 PolarHBondContact O-N 3.24Å; N609-D613 VanDerWaalsContact O-N 3.08Å; N609-H616 PolarHBondContact N-ND1 3.45Å; N609-H616 WeakPolarHBondContact O-CB 3.18Å
610	P	96.9	Very high	95.1	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.019	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-19.2	-179.7	33.7	-37.4	0	0	0	114.1	L589 M592 M593 G608 K617 I620	L589-P610 HydrophobicContact CD1-CB 4.04Å; M592-P610 VanDerWaalsContact C-CG 3.46Å; M592-P610 HydrophobicContact CB-CG 3.67Å; M592-P610 WeakPolarHBondContact O-CD 3.42Å; M592-P610 VanDerWaalsContact O-CG 3.23Å; M592-P610 WeakPolarHBondContact O-CG 3.39Å; M593-P610 HydrophobicContact CG-CB 4.34Å; M593-P610 HydrophobicContact CG-CG 4.03Å; M593-P610 VanDerWaalsContact SD-C 3.51Å; M593-P610 HydrophobicContact SD-CB 3.8Å; M593-P610 HydrophobicContact SD-CG 3.93Å; G608-P610 VanDerWaalsContact O-CD 3.25Å; G608-P610 WeakPolarHBondContact O-CD 3.46Å; P610-K617 HydrophobicContact CB-CB 3.71Å; P610-K617 HydrophobicContact CB-CG 4.18Å; P610-I620 HydrophobicContact CB-CD1 4Å; P610-I620 HydrophobicContact CG-CD1 4.02Å
611	S	94.6	Very high	95.4	Very high	57 Å²	57	47.7 Å²	47.7	40%	0.399	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-26.5	-178.4	60.6	0	0	0	0	112.4	N609	N609-S611 PolarHBondContact OD1-N 2.85Å; N609-S611 VanDerWaalsContact OD1-N 3.13Å; N609-S611 PolarHBondContact OD1-OG 2.91Å
612	S	94.4	Very high	95.8	Very high	94 Å²	94	52.8 Å²	52.8	66%	0.657	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-20	173.6	75.7	0	0	0	0	115.5	N609	N609-S612 PolarHBondContact ND2-OG 2.88Å; N609-S612 PolarHBondContact OD1-N 3.18Å; N609-S612 PolarHBondContact OD1-OG 2.73Å
613	D	96.5	Very high	96.3	Very high	52 Å²	52	51.4 Å²	51.4	28%	0.278	25%	0.251	S	S	.	.			trans	-125.5	110.9	178.9	-172.6	-1.7	0	0	0	112.7	N609 K615 H616 K617	N609-D613 WeakPolarHBondContact O-CB 3.42Å; N609-D613 PolarHBondContact O-N 3.24Å; N609-D613 VanDerWaalsContact O-N 3.08Å; D613-K615 PolarHBondContact O-N 2.71Å; D613-K615 VanDerWaalsContact O-N 3.16Å; D613-K615 VanDerWaalsContact OD1-CB 3.26Å; D613-K615 WeakPolarHBondContact OD1-CB 3.23Å; D613-K615 WeakPolarHBondContact OD1-CG 3.5Å; D613-K615 PolarHBondContact OD1-N 2.92Å; D613-H616 HydrophobicContact CB-CB 4.32Å; D613-H616 WeakPolarHBondContact CB-ND1 3.36Å; D613-H616 PolarHBondContact O-N 3.18Å; D613-H616 IonicContact OD2-CE1 2.67Å; D613-H616 IonicContact OD2-CG 2.7Å; D613-H616 IonicContact OD2-ND1 3.75Å; D613-H616 PolarHBondContact OD2-ND1 2.69Å; D613-K617 PolarHBondContact O-N 2.91Å
614	E	97	Very high	96.6	Very high	101 Å²	101	50.9 Å²	50.9	47%	0.472	25%	0.248	S	C	.	.	H	α-helix	trans	-60.1	-23.2	176.3	-167.5	61.9	-129.8	0	0	112.5	K617 N618	E614-K617 WeakPolarHBondContact OE1-CE 3.47Å; E614-K617 IonicContact OE1-NZ 3.37Å; E614-K617 PolarHBondContact OE1-NZ 3.15Å; E614-K617 WeakPolarHBondContact OE2-CE 3.46Å; E614-K617 IonicContact OE2-NZ 2.63Å; E614-K617 PolarHBondContact OE2-NZ 2.69Å; E614-N618 WeakPolarHBondContact CG-ND2 3.31Å; E614-N618 WeakPolarHBondContact O-CB 3.45Å; E614-N618 PolarHBondContact O-N 3.13Å; E614-N618 PolarHBondContact O-ND2 2.82Å; E614-N618 PolarHBondContact OE1-ND2 3.13Å
615	K	97.3	Very high	96.9	Very high	161 Å²	161	49.1 Å²	49.1	70%	0.7	24%	0.239	S	C	*	.	H	α-helix	trans	-70.6	-45.7	172.2	-62.1	172.1	-177.5	167.9	0	111.6	D613 Y619	D613-K615 PolarHBondContact O-N 2.71Å; D613-K615 VanDerWaalsContact O-N 3.16Å; D613-K615 VanDerWaalsContact OD1-CB 3.26Å; D613-K615 WeakPolarHBondContact OD1-CB 3.23Å; D613-K615 WeakPolarHBondContact OD1-CG 3.5Å; D613-K615 PolarHBondContact OD1-N 2.92Å; K615-Y619 VanDerWaalsContact O-CB 3.28Å; K615-Y619 WeakPolarHBondContact O-CB 3.19Å; K615-Y619 PolarHBondContact O-N 2.75Å
616	H	97.9	Very high	97.2	Very high	41 Å²	41	50.1 Å²	50.1	19%	0.19	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-46.6	174.5	-71.5	129.2	0	0	0	110.3	N609 D613 N618 Y619 I620	N609-H616 PolarHBondContact N-ND1 3.45Å; N609-H616 WeakPolarHBondContact O-CB 3.18Å; D613-H616 HydrophobicContact CB-CB 4.32Å; D613-H616 WeakPolarHBondContact CB-ND1 3.36Å; D613-H616 PolarHBondContact O-N 3.18Å; D613-H616 IonicContact OD2-CE1 2.67Å; D613-H616 IonicContact OD2-CG 2.7Å; D613-H616 IonicContact OD2-ND1 3.75Å; D613-H616 PolarHBondContact OD2-ND1 2.69Å; H616-N618 PolarHBondContact O-N 2.99Å; H616-Y619 PolarHBondContact O-N 3.1Å; H616-Y619 VanDerWaalsContact O-N 3.09Å; H616-I620 HydrophobicContact CB-CD1 4.38Å; H616-I620 WeakPolarHBondContact O-CB 3.35Å; H616-I620 VanDerWaalsContact O-CG1 3.28Å; H616-I620 WeakPolarHBondContact O-CG1 3.26Å; H616-I620 PolarHBondContact O-N 2.89Å
617	K	98.2	Very high	97.3	Very high	73 Å²	73	52.4 Å²	52.4	32%	0.317	25%	0.252	S	S	.	.	H	α-helix	trans	-52.9	-51.8	175.4	-174.4	173	153.3	-159.9	0	113.2	L589 M593 P610 D613 E614 Y619 K621	L589-K617 HydrophobicContact CD1-CG 4.26Å; M593-K617 HydrophobicContact SD-CD 4.44Å; P610-K617 HydrophobicContact CB-CB 3.71Å; P610-K617 HydrophobicContact CB-CG 4.18Å; D613-K617 PolarHBondContact O-N 2.91Å; E614-K617 WeakPolarHBondContact OE1-CE 3.47Å; E614-K617 IonicContact OE1-NZ 3.37Å; E614-K617 PolarHBondContact OE1-NZ 3.15Å; E614-K617 WeakPolarHBondContact OE2-CE 3.46Å; E614-K617 IonicContact OE2-NZ 2.63Å; E614-K617 PolarHBondContact OE2-NZ 2.69Å; K617-Y619 VanDerWaalsContact C-N 3.33Å; K617-Y619 PolarHBondContact O-N 2.81Å; K617-K621 WeakPolarHBondContact O-CB 3.45Å; K617-K621 PolarHBondContact O-N 2.79Å
618	N	98.1	Very high	97.4	Very high	84 Å²	84	55.1 Å²	55.1	45%	0.449	27%	0.267	S	S	.	.	H	α-helix	trans	-70.8	-26.3	177.3	-76	-71.8	0	0	0	113.3	E614 H616 R622	E614-N618 WeakPolarHBondContact CG-ND2 3.31Å; E614-N618 WeakPolarHBondContact O-CB 3.45Å; E614-N618 PolarHBondContact O-N 3.13Å; E614-N618 PolarHBondContact O-ND2 2.82Å; E614-N618 PolarHBondContact OE1-ND2 3.13Å; H616-N618 PolarHBondContact O-N 2.99Å; N618-R622 WeakPolarHBondContact O-CG 3.34Å
619	Y	98.4	Very high	97.6	Very high	29 Å²	29	55.7 Å²	55.7	11%	0.114	27%	0.27	C	S	.	.	H	α-helix	trans	-74.2	-49.2	174.2	-168.4	-81.2	0	0	0	112	L525 T526 K527 K528 L529 K615 H616 K617 K621 R622 Y623	L525-Y619 VanDerWaalsContact O-CE1 3.29Å; L525-Y619 WeakPolarHBondContact O-CE1 3.27Å; T526-Y619 VanDerWaalsContact C-OH 3.27Å; T526-Y619 HydrophobicContact CG2-CD2 4.34Å; T526-Y619 HydrophobicContact CG2-CG 4.27Å; T526-Y619 WeakPolarHBondContact O-CE2 3.48Å; T526-Y619 PolarHBondContact O-OH 3.15Å; K527-Y619 VanDerWaalsContact C-OH 3.28Å; K527-Y619 WeakPolarHBondContact CA-OH 3.43Å; K527-Y619 PolarHBondContact N-OH 2.94Å; K528-Y619 HydrophobicContact CB-CE1 4.25Å; K528-Y619 PolarHBondContact N-OH 2.88Å; L529-Y619 WeakPolarHBondContact CB-OH 3.47Å; L529-Y619 HydrophobicContact CD1-CE2 4.25Å; L529-Y619 HydrophobicContact CG-CE1 4.48Å; L529-Y619 PolarHBondContact N-OH 3.46Å; K615-Y619 VanDerWaalsContact O-CB 3.28Å; K615-Y619 WeakPolarHBondContact O-CB 3.19Å; K615-Y619 PolarHBondContact O-N 2.75Å; H616-Y619 PolarHBondContact O-N 3.1Å; H616-Y619 VanDerWaalsContact O-N 3.09Å; K617-Y619 VanDerWaalsContact C-N 3.33Å; K617-Y619 PolarHBondContact O-N 2.81Å; Y619-K621 VanDerWaalsContact C-N 3.28Å; Y619-K621 PolarHBondContact O-N 3.27Å; Y619-R622 WeakPolarHBondContact O-CB 3.33Å; Y619-R622 PolarHBondContact O-N 3.19Å; Y619-Y623 HydrophobicContact CD1-CD1 4.15Å; Y619-Y623 AromaticContact CD1-CE1 3.74Å; Y619-Y623 HydrophobicContact CD1-CE1 3.74Å; Y619-Y623 AromaticContact CE1-CD1 3.94Å; Y619-Y623 HydrophobicContact CE1-CD1 3.94Å; Y619-Y623 AromaticContact CE1-CE1 3.74Å; Y619-Y623 HydrophobicContact CE1-CE1 3.74Å
620	I	98.6	Very high	97.7	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57	-42.8	176.2	-66.1	160.8	0	0	0	110.3	V588 L589 W607 P610 H616 R622 Y623 C624	V588-I620 HydrophobicContact CB-CG2 4.15Å; V588-I620 HydrophobicContact CG1-CG2 3.84Å; L589-I620 HydrophobicContact CB-CG2 4.04Å; L589-I620 HydrophobicContact CD1-CB 4.12Å; L589-I620 HydrophobicContact CD1-CG2 3.89Å; W607-I620 WeakPolarHBondContact O-CD1 3.47Å; W607-I620 WeakPolarHBondContact O-CG1 3.16Å; P610-I620 HydrophobicContact CB-CD1 4Å; P610-I620 HydrophobicContact CG-CD1 4.02Å; H616-I620 HydrophobicContact CB-CD1 4.38Å; H616-I620 WeakPolarHBondContact O-CB 3.35Å; H616-I620 VanDerWaalsContact O-CG1 3.28Å; H616-I620 WeakPolarHBondContact O-CG1 3.26Å; H616-I620 PolarHBondContact O-N 2.89Å; I620-R622 PolarHBondContact O-N 2.83Å; I620-R622 VanDerWaalsContact O-N 3.08Å; I620-Y623 HydrophobicContact CB-CE1 4.46Å; I620-Y623 HydrophobicContact CG1-CE1 4.42Å; I620-Y623 PolarHBondContact O-N 2.96Å; I620-Y623 VanDerWaalsContact O-N 3.14Å; I620-C624 HydrophobicContact CG2-CB 4.32Å; I620-C624 VanDerWaalsContact O-CB 3.31Å; I620-C624 WeakPolarHBondContact O-CB 3.49Å; I620-C624 PolarHBondContact O-N 2.96Å
621	K	98.3	Very high	97.7	Very high	106 Å²	106	61.1 Å²	61.1	46%	0.461	30%	0.297	S	S	.	.	H	α-helix	trans	-56.9	-25.6	177	-168.5	172.2	-178.2	179.5	0	113.9	L589 K617 Y619 Y623 Q627 N628	L589-K621 HydrophobicContact CD2-CB 4.01Å; L589-K621 HydrophobicContact CD2-CD 4.37Å; L589-K621 HydrophobicContact CD2-CG 4.12Å; K617-K621 WeakPolarHBondContact O-CB 3.45Å; K617-K621 PolarHBondContact O-N 2.79Å; Y619-K621 VanDerWaalsContact C-N 3.28Å; Y619-K621 PolarHBondContact O-N 3.27Å; K621-Y623 PolarHBondContact O-N 3.05Å; K621-Q627 HydrophobicContact CG-CB 4.28Å; K621-N628 PolarHBondContact O-ND2 3.14Å
622	R	98.2	Very high	97.9	Very high	152 Å²	152	59.7 Å²	59.7	57%	0.574	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-14.5	-179.7	-67.9	164.8	62.4	-162.2	0.2	114.9	L529 N618 Y619 I620	L529-R622 HydrophobicContact CD1-CB 4.42Å; N618-R622 WeakPolarHBondContact O-CG 3.34Å; Y619-R622 WeakPolarHBondContact O-CB 3.33Å; Y619-R622 PolarHBondContact O-N 3.19Å; I620-R622 PolarHBondContact O-N 2.83Å; I620-R622 VanDerWaalsContact O-N 3.08Å
623	Y	97.8	Very high	97.9	Very high	6 Å²	6	58.9 Å²	58.9	2%	0.024	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.3	-19.5	179	69.3	-103.1	0	0	0	114	K528 L529 V563 A567 V588 W607 Y619 I620 K621 P625	K528-Y623 HydrophobicContact CB-CD1 4.22Å; K528-Y623 HydrophobicContact CB-CE1 3.74Å; K528-Y623 HydrophobicContact CG-CD2 4.42Å; K528-Y623 HydrophobicContact CG-CE1 4.09Å; K528-Y623 HydrophobicContact CG-CE2 4.03Å; L529-Y623 HydrophobicContact CG-CD1 4.49Å; V563-Y623 HydrophobicContact CG1-CD2 3.6Å; V563-Y623 HydrophobicContact CG1-CE2 3.69Å; A567-Y623 WeakPolarHBondContact CB-O 3.47Å; V588-Y623 HydrophobicContact CG1-CE2 4.3Å; V588-Y623 HydrophobicContact CG2-CE2 4.5Å; W607-Y623 HydrophobicContact CE3-CE2 4.19Å; W607-Y623 HydrophobicContact CZ3-CE2 4.35Å; Y619-Y623 HydrophobicContact CD1-CD1 4.15Å; Y619-Y623 AromaticContact CD1-CE1 3.74Å; Y619-Y623 HydrophobicContact CD1-CE1 3.74Å; Y619-Y623 AromaticContact CE1-CD1 3.94Å; Y619-Y623 HydrophobicContact CE1-CD1 3.94Å; Y619-Y623 AromaticContact CE1-CE1 3.74Å; Y619-Y623 HydrophobicContact CE1-CE1 3.74Å; I620-Y623 HydrophobicContact CB-CE1 4.46Å; I620-Y623 HydrophobicContact CG1-CE1 4.42Å; I620-Y623 PolarHBondContact O-N 2.96Å; I620-Y623 VanDerWaalsContact O-N 3.14Å; K621-Y623 PolarHBondContact O-N 3.05Å; Y623-P625 WeakPolarHBondContact O-CD 3.29Å; Y623-P625 VanDerWaalsContact O-N 3.12Å
624	C	98.6	Very high	98	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	26%	0.257	C	S	.	.			trans	-51.4	117.6	179.1	176.5	0	0	0	0	110.9	V588 L589 I620 Y626 Q627 N628	V588-C624 HydrophobicContact CB-CB 4.31Å; V588-C624 PolarHBondContact N-SG 2.85Å; L589-C624 HydrophobicContact CB-CB 4.27Å; L589-C624 PolarHBondContact N-SG 3.49Å; L589-C624 VanDerWaalsContact N-SG 3.37Å; I620-C624 HydrophobicContact CG2-CB 4.32Å; I620-C624 VanDerWaalsContact O-CB 3.31Å; I620-C624 WeakPolarHBondContact O-CB 3.49Å; I620-C624 PolarHBondContact O-N 2.96Å; C624-Y626 PolarHBondContact O-N 2.84Å; C624-Q627 HydrophobicContact CB-CB 4.04Å; C624-Q627 HydrophobicContact CB-CG 3.87Å; C624-Q627 PolarHBondContact O-N 2.93Å; C624-Q627 VanDerWaalsContact O-N 3.11Å; C624-Q627 VanDerWaalsContact SG-CG 3.59Å; C624-N628 PolarHBondContact O-N 2.9Å; C624-N628 PolarHBondContact O-ND2 3.17Å
625	P	98.6	Very high	98.1	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-55.8	-49.1	-172.6	-29.1	35.2	0	0	0	113.5	N570 L586 Y623 Q627 N628 I629 Y656	N570-P625 PolarHBondContact ND2-O 2.91Å; L586-P625 HydrophobicContact CB-CB 4.45Å; L586-P625 HydrophobicContact CD2-CB 3.92Å; L586-P625 HydrophobicContact CD2-CG 3.98Å; L586-P625 WeakPolarHBondContact O-CB 3.16Å; L586-P625 WeakPolarHBondContact O-CD 3.34Å; Y623-P625 WeakPolarHBondContact O-CD 3.29Å; Y623-P625 VanDerWaalsContact O-N 3.12Å; P625-Q627 VanDerWaalsContact C-N 3.26Å; P625-Q627 PolarHBondContact O-N 2.69Å; P625-N628 PolarHBondContact O-N 2.81Å; P625-I629 PolarHBondContact O-N 3.03Å; P625-Y656 HydrophobicContact CB-CD2 4.15Å; P625-Y656 HydrophobicContact CB-CE2 3.61Å
626	Y	98.7	Very high	98.1	Very high	55 Å²	55	44.1 Å²	44.1	22%	0.216	20%	0.202	C	C	.	.	H	α-helix	trans	-57	-37.7	178.5	178.2	-117.2	0	0	0	113.5	L586 D587 C624 N628 I629 S655 K659	L586-Y626 WeakPolarHBondContact O-CB 3.46Å; L586-Y626 PolarHBondContact O-N 3.28Å; D587-Y626 HydrophobicContact CB-CD1 4.31Å; D587-Y626 HydrophobicContact CB-CG 4.25Å; D587-Y626 WeakPolarHBondContact OD1-CD1 3.34Å; D587-Y626 WeakPolarHBondContact OD2-CD1 3.26Å; C624-Y626 PolarHBondContact O-N 2.84Å; Y626-N628 VanDerWaalsContact C-N 3.32Å; Y626-N628 PolarHBondContact O-N 3.48Å; Y626-I629 HydrophobicContact CD2-CD1 4.44Å; Y626-S655 WeakPolarHBondContact CE2-O 3.28Å; Y626-K659 HydrophobicContact CD2-CB 4.46Å; Y626-K659 HydrophobicContact CD2-CD 3.88Å; Y626-K659 HydrophobicContact CE2-CB 3.91Å; Y626-K659 HydrophobicContact CE2-CD 3.45Å; Y626-K659 VanDerWaalsContact CE2-CD 3.45Å; Y626-K659 HydrophobicContact CE2-CG 4.31Å; Y626-K659 PolarHBondContact O-NZ 3.18Å
627	Q	98.3	Very high	98.2	Very high	48 Å²	48	42.3 Å²	42.3	22%	0.224	19%	0.194	C	C	.	.	H	α-helix	trans	-75.5	-20.1	-175.8	-62.3	-70.5	-33	0	0	113	L589 K621 C624 P625	L589-Q627 HydrophobicContact CB-CG 3.89Å; L589-Q627 HydrophobicContact CD2-CG 3.86Å; K621-Q627 HydrophobicContact CG-CB 4.28Å; C624-Q627 HydrophobicContact CB-CB 4.04Å; C624-Q627 HydrophobicContact CB-CG 3.87Å; C624-Q627 PolarHBondContact O-N 2.93Å; C624-Q627 VanDerWaalsContact O-N 3.11Å; C624-Q627 VanDerWaalsContact SG-CG 3.59Å; P625-Q627 VanDerWaalsContact C-N 3.26Å; P625-Q627 PolarHBondContact O-N 2.69Å
628	N	98.6	Very high	98.2	Very high	59 Å²	59	39.1 Å²	39.1	32%	0.316	18%	0.18	S	C	.	.	H	α-helix	trans	-109.7	2.8	-173.5	-66.9	-86.1	0	0	0	114.3	N570 K621 C624 P625 Y626 K630	N570-N628 HydrophobicContact CB-CB 4.17Å; N570-N628 PolarHBondContact OD1-O 2.78Å; K621-N628 PolarHBondContact O-ND2 3.14Å; C624-N628 PolarHBondContact O-N 2.9Å; C624-N628 PolarHBondContact O-ND2 3.17Å; P625-N628 PolarHBondContact O-N 2.81Å; Y626-N628 VanDerWaalsContact C-N 3.32Å; Y626-N628 PolarHBondContact O-N 3.48Å; N628-K630 PolarHBondContact O-N 2.79Å
629	I	98.7	Very high	98.2	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.067	16%	0.159	C	C	.	.			trans	-58.9	129.9	166.7	-65.2	162.5	0	0	0	109.9	N570 P625 Y626 Y634 Y656 K659 L660 A663	N570-I629 WeakPolarHBondContact OD1-CA 3.31Å; N570-I629 PolarHBondContact OD1-N 3.36Å; P625-I629 PolarHBondContact O-N 3.03Å; Y626-I629 HydrophobicContact CD2-CD1 4.44Å; I629-Y634 WeakPolarHBondContact CA-OH 3.2Å; I629-Y656 HydrophobicContact CD1-CD2 3.68Å; I629-Y656 HydrophobicContact CD1-CE2 3.76Å; I629-Y656 HydrophobicContact CD1-CG 4.24Å; I629-Y656 HydrophobicContact CG1-CE2 4.21Å; I629-K659 HydrophobicContact CB-CD 4.18Å; I629-K659 HydrophobicContact CB-CG 4.29Å; I629-K659 HydrophobicContact CD1-CB 4.17Å; I629-K659 HydrophobicContact CD1-CD 4.18Å; I629-K659 HydrophobicContact CD1-CG 4.21Å; I629-K659 HydrophobicContact CG2-CD 4.43Å; I629-K659 HydrophobicContact CG2-CG 4.01Å; I629-L660 HydrophobicContact CD1-CB 4.16Å; I629-A663 HydrophobicContact CG2-CB 3.54Å
630	K	97.9	Very high	98	Very high	98 Å²	98	33.8 Å²	33.8	43%	0.426	15%	0.153	S	C	.	.			trans	-145.9	160.6	179.7	70.1	-168.1	-179.3	-169.3	0	108.9	N570 N628 Q632 Y634	N570-K630 PolarHBondContact O-NZ 2.76Å; N628-K630 PolarHBondContact O-N 2.79Å; K630-Q632 HydrophobicContact CG-CG 4.21Å; K630-Q632 PolarHBondContact O-N 2.71Å; K630-Q632 VanDerWaalsContact O-N 3.1Å; K630-Y634 PolarHBondContact N-OH 2.84Å; K630-Y634 WeakPolarHBondContact O-CE2 3.21Å; K630-Y634 PolarHBondContact O-OH 2.84Å; K630-Y634 VanDerWaalsContact O-OH 3.09Å
631	P	98	Very high	97.8	Very high	55 Å²	55	33.8 Å²	33.8	36%	0.357	15%	0.153	S	C	.	.	S	Bend	trans	-61.6	113.5	173.5	-24	36	0	0	0	111.8	E666 H667	P631-E666 HydrophobicContact CB-CB 4.16Å; P631-E666 HydrophobicContact CB-CG 4.13Å; P631-E666 HydrophobicContact CG-CB 4.08Å; P631-E666 HydrophobicContact CG-CG 3.85Å; P631-E666 VanDerWaalsContact CG-OE2 3.28Å; P631-E666 WeakPolarHBondContact CG-OE2 3.16Å; P631-H667 HydrophobicContact CB-CB 4.28Å
632	Q	96.8	Very high	97.3	Very high	27 Å²	27	29 Å²	29	13%	0.126	13%	0.132	C	C	.	.	S	Bend	trans	-165.9	176.3	173.6	62.3	173.3	5.9	0	0	110.1	C569 N570 K630 Y634 H667	C569-Q632 PolarHBondContact O-NE2 2.71Å; N570-Q632 PolarHBondContact O-NE2 3.28Å; K630-Q632 HydrophobicContact CG-CG 4.21Å; K630-Q632 PolarHBondContact O-N 2.71Å; K630-Q632 VanDerWaalsContact O-N 3.1Å; Q632-Y634 HydrophobicContact CG-CD2 3.94Å; Q632-Y634 HydrophobicContact CG-CE1 4.33Å; Q632-Y634 HydrophobicContact CG-CE2 3.4Å; Q632-Y634 VanDerWaalsContact CG-CE2 3.4Å; Q632-Y634 PolarHBondContact NE2-OH 3.26Å; Q632-Y634 VanDerWaalsContact O-CD2 3.28Å; Q632-Y634 WeakPolarHBondContact O-CD2 3.49Å; Q632-H667 VanDerWaalsContact C-CG 3.43Å; Q632-H667 PolarHBondContact O-CD2 2.69Å
633	H	95.6	Very high	96.9	Very high	76 Å²	76	27 Å²	27	35%	0.352	13%	0.13	S	C	.	.			trans	-71.1	145.1	165.6	-176.2	59.2	0	0	0	110.6	P573 H667 Y675	P573-H633 VanDerWaalsContact CB-O 3.3Å; P573-H633 WeakPolarHBondContact CB-O 3.3Å; P573-H633 VanDerWaalsContact CG-O 3.29Å; P573-H633 WeakPolarHBondContact CG-O 3.48Å; H633-H667 PolarHBondContact N-CD2 2.7Å; H633-H667 PolarHBondContact N-NE2 3.34Å; H633-Y675 HydrophobicContact CB-CE2 4.25Å; H633-Y675 AromaticContact ND1-CE2 3.48Å; H633-Y675 WeakPolarHBondContact ND1-CE2 3.39Å; H633-Y675 AromaticContact ND1-CZ 3.63Å; H633-Y675 PolarHBondContact ND1-OH 2.84Å
634	Y	98.3	Very high	96.2	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	15%	0.154	C	C	.	.			trans	-134.5	153.4	178.6	-75.6	-86.8	0	0	0	109.2	C569 N570 I629 K630 Q632 L660 I664 P678	C569-Y634 HydrophobicContact CB-CD1 4.29Å; C569-Y634 VanDerWaalsContact O-CD1 3.28Å; C569-Y634 WeakPolarHBondContact O-CD1 3.13Å; C569-Y634 VanDerWaalsContact O-CE1 3.25Å; C569-Y634 WeakPolarHBondContact O-CE1 3.15Å; N570-Y634 WeakPolarHBondContact OD1-CE1 3.45Å; N570-Y634 PolarHBondContact OD1-OH 2.91Å; I629-Y634 WeakPolarHBondContact CA-OH 3.2Å; K630-Y634 PolarHBondContact N-OH 2.84Å; K630-Y634 WeakPolarHBondContact O-CE2 3.21Å; K630-Y634 PolarHBondContact O-OH 2.84Å; K630-Y634 VanDerWaalsContact O-OH 3.09Å; Q632-Y634 HydrophobicContact CG-CD2 3.94Å; Q632-Y634 HydrophobicContact CG-CE1 4.33Å; Q632-Y634 HydrophobicContact CG-CE2 3.4Å; Q632-Y634 VanDerWaalsContact CG-CE2 3.4Å; Q632-Y634 PolarHBondContact NE2-OH 3.26Å; Q632-Y634 VanDerWaalsContact O-CD2 3.28Å; Q632-Y634 WeakPolarHBondContact O-CD2 3.49Å; Y634-L660 HydrophobicContact CD1-CD1 3.77Å; Y634-L660 HydrophobicContact CD2-CD1 3.75Å; Y634-L660 HydrophobicContact CE1-CD1 3.81Å; Y634-L660 HydrophobicContact CE2-CD1 3.8Å; Y634-L660 HydrophobicContact CG-CD1 3.74Å; Y634-I664 HydrophobicContact CD2-CD1 4.27Å; Y634-I664 HydrophobicContact CD2-CG1 3.72Å; Y634-I664 HydrophobicContact CE2-CG1 4.48Å; Y634-I664 HydrophobicContact CG-CG1 4.43Å; Y634-P678 WeakPolarHBondContact O-CB 3.47Å; Y634-P678 WeakPolarHBondContact O-CG 3.42Å
635	P	98.3	Very high	95.7	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.013	16%	0.158	C	C	.	.			trans	-60.5	159.1	163.7	28.7	-36	0	0	0	110.5	C569 L576 R577 V579 V637	C569-P635 HydrophobicContact CB-CG 4.39Å; L576-P635 HydrophobicContact CB-CB 4.02Å; L576-P635 HydrophobicContact CB-CG 4.22Å; R577-P635 WeakPolarHBondContact O-CA 3.18Å; R577-P635 WeakPolarHBondContact O-CB 3.33Å; V579-P635 HydrophobicContact CG2-CB 4.19Å; V579-P635 HydrophobicContact CG2-CG 3.92Å; P635-V637 WeakPolarHBondContact O-CG2 3.46Å
636	S	98.8	Very high	94.9	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	142.5	166.3	-63.2	0	0	0	0	110	R577 A578 V579 P678 N679 E709	R577-S636 PolarHBondContact O-N 3.12Å; R577-S636 VanDerWaalsContact O-N 3.11Å; A578-S636 CarbonylContact C-O 3.57Å; A578-S636 VanDerWaalsContact CA-O 3.22Å; A578-S636 WeakPolarHBondContact CA-O 3.41Å; V579-S636 PolarHBondContact N-O 3.29Å; S636-P678 WeakPolarHBondContact OG-CA 3.19Å; S636-N679 CarbonylContact C-O 3.53Å; S636-N679 WeakPolarHBondContact CA-O 3.26Å; S636-N679 WeakPolarHBondContact CB-O 3.18Å; S636-N679 PolarHBondContact OG-N 2.92Å; S636-E709 WeakPolarHBondContact CB-OE2 3.49Å; S636-E709 PolarHBondContact OG-OE2 3.16Å
637	V	98.7	Very high	94.5	Very high	2 Å²	2	39 Å²	39	1%	0.012	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	124.9	-175.7	-168.7	0	0	0	0	110.1	V579 L581 P635 I639 L660 N679 I680 I681	V579-V637 WeakPolarHBondContact O-CA 3.46Å; L581-V637 HydrophobicContact CD1-CG1 3.85Å; L581-V637 HydrophobicContact CG-CG1 4.24Å; P635-V637 WeakPolarHBondContact O-CG2 3.46Å; V637-I639 HydrophobicContact CG1-CD1 4.28Å; V637-I639 HydrophobicContact CG1-CG1 3.74Å; V637-L660 HydrophobicContact CG2-CD2 4.29Å; V637-N679 PolarHBondContact N-O 3.15Å; V637-I680 HydrophobicContact CB-CD1 3.95Å; V637-I680 HydrophobicContact CG2-CD1 3.87Å; V637-I680 CarbonylContact O-C 3.59Å; V637-I680 WeakPolarHBondContact O-CA 3.3Å; V637-I681 PolarHBondContact O-N 2.87Å
638	H	98.5	Very high	94.1	Very high	7 Å²	7	37.1 Å²	37.1	3%	0.032	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.1	166.6	178.5	-160.3	0	0	0	108.7	V579 T580 L581 I681 D683 F705	V579-H638 PolarHBondContact O-N 3.25Å; T580-H638 WeakPolarHBondContact CA-O 3.2Å; T580-H638 HydrophobicContact CG2-CB 4.44Å; L581-H638 PolarHBondContact N-O 3.24Å; H638-I681 HydrophobicContact CB-CB 4.39Å; H638-D683 IonicContact NE2-OD2 3.8Å; H638-F705 HydrophobicContact CB-CD1 3.48Å; H638-F705 VanDerWaalsContact CB-CD1 3.48Å; H638-F705 HydrophobicContact CB-CD2 4.04Å; H638-F705 HydrophobicContact CB-CE1 3.52Å; H638-F705 HydrophobicContact CB-CE2 4.07Å; H638-F705 HydrophobicContact CB-CG 3.75Å; H638-F705 HydrophobicContact CB-CZ 3.82Å
639	I	97.9	Very high	93.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	119.7	178.5	-54.5	176.8	0	0	0	109.2	L581 P584 L586 V637 I653 Y656 I681 L682 D683	L581-I639 HydrophobicContact CB-CG1 4.28Å; L581-I639 HydrophobicContact CD1-CG1 4.32Å; L581-I639 CarbonylContact O-C 3.6Å; L581-I639 VanDerWaalsContact O-CA 3.32Å; L581-I639 WeakPolarHBondContact O-CA 3.43Å; P584-I639 HydrophobicContact CG-CG2 3.69Å; L586-I639 HydrophobicContact CD1-CD1 4.26Å; V637-I639 HydrophobicContact CG1-CD1 4.28Å; V637-I639 HydrophobicContact CG1-CG1 3.74Å; I639-I653 HydrophobicContact CG2-CG2 3.64Å; I639-Y656 HydrophobicContact CD1-CD1 4.05Å; I639-Y656 HydrophobicContact CD1-CE1 4.12Å; I639-I681 PolarHBondContact N-O 2.98Å; I639-L682 HydrophobicContact CB-CD1 3.92Å; I639-L682 HydrophobicContact CG2-CD1 3.78Å; I639-L682 WeakPolarHBondContact O-CA 3.39Å; I639-D683 PolarHBondContact O-N 3.42Å
640	T	94.9	Very high	93.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129.6	165.3	-50.9	0	0	0	0	109.2	L581 E582 A583 Y642 D683 Q685 K698 Q702	L581-T640 PolarHBondContact O-N 3.33Å; E582-T640 WeakPolarHBondContact CA-O 3.39Å; A583-T640 PolarHBondContact N-O 3.38Å; T640-Y642 HydrophobicContact CG2-CE1 4.37Å; T640-D683 CarbonylContact C-O 3.56Å; T640-D683 WeakPolarHBondContact CA-O 3.41Å; T640-Q685 HydrophobicContact CG2-CG 3.84Å; T640-K698 HydrophobicContact CG2-CD 4.07Å; T640-K698 HydrophobicContact CG2-CG 4.18Å; T640-Q702 PolarHBondContact OG1-NE2 3Å
641	A	93.4	Very high	93.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	164.2	177	0	0	0	0	0	110.8	L650 I653 L682 D683 I684 Q685	A641-L650 HydrophobicContact CB-CD1 3.71Å; A641-I653 HydrophobicContact CB-CD1 3.92Å; A641-I653 HydrophobicContact CB-CG2 4.21Å; A641-L682 HydrophobicContact CB-CD1 4.29Å; A641-D683 PolarHBondContact N-O 2.66Å; A641-I684 WeakPolarHBondContact O-CA 3.48Å; A641-Q685 PolarHBondContact O-N 3.12Å
642	Y	89.5	Confident	93.2	Very high	6 Å²	6	38.7 Å²	38.7	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.1	-173.6	-53.1	-76.8	0	0	0	110.7	E582 A583 T640 Q685 N689 I692 K698	E582-Y642 HydrophobicContact CG-CE2 4.33Å; E582-Y642 PolarHBondContact OE1-OH 3.32Å; E582-Y642 VanDerWaalsContact OE1-OH 3.1Å; A583-Y642 HydrophobicContact CB-CD2 4.24Å; A583-Y642 HydrophobicContact CB-CE2 4.16Å; T640-Y642 HydrophobicContact CG2-CE1 4.37Å; Y642-Q685 HydrophobicContact CD1-CB 3.67Å; Y642-Q685 HydrophobicContact CD1-CG 4.15Å; Y642-Q685 HydrophobicContact CE1-CB 3.94Å; Y642-Q685 HydrophobicContact CE1-CG 3.92Å; Y642-N689 VanDerWaalsContact CD2-O 3.29Å; Y642-N689 WeakPolarHBondContact CD2-O 3.31Å; Y642-I692 HydrophobicContact CD1-CD1 3.42Å; Y642-I692 VanDerWaalsContact CD1-CD1 3.42Å; Y642-I692 HydrophobicContact CD1-CG1 4.36Å; Y642-I692 HydrophobicContact CE1-CD1 3.39Å; Y642-I692 HydrophobicContact CE1-CG1 4.16Å; Y642-I692 HydrophobicContact CG-CD1 4.22Å; Y642-K698 WeakPolarHBondContact OH-CD 3.47Å; Y642-K698 PolarHBondContact OH-NZ 2.91Å
643	E	88.1	Confident	93.2	Very high	110 Å²	110	37.5 Å²	37.5	51%	0.514	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-36.3	-176.4	-73.1	-174.9	141.5	0	0	113	I684 Q685 P686 G687	E643-I684 HydrophobicContact CG-CG2 3.79Å; E643-Q685 PolarHBondContact N-O 2.97Å; E643-P686 VanDerWaalsContact OE2-CA 3.3Å; E643-P686 WeakPolarHBondContact OE2-CA 3.3Å; E643-G687 PolarHBondContact N-O 2.88Å; E643-G687 PolarHBondContact OE2-N 3.05Å
644	N	83.7	Confident	93.3	Very high	101 Å²	101	35.9 Å²	35.9	54%	0.54	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	31.9	-177.7	-47.7	-54.2	0	0	0	113.2	E646 G688	N644-E646 PolarHBondContact O-N 2.78Å; N644-G688 CarbonylContact C-O 3.56Å; N644-G688 WeakPolarHBondContact CB-O 3.48Å; N644-G688 PolarHBondContact N-O 2.77Å
645	D	87.4	Confident	93.3	Very high	15 Å²	15	37.4 Å²	37.4	8%	0.08	19%	0.186	C	C	.	.			trans	-69.6	97.3	173.5	-167.5	-24.2	0	0	0	111.3	R647 V648 H690	D645-R647 PolarHBondContact O-N 2.76Å; D645-R647 WeakPolarHBondContact OD1-CA 3.14Å; D645-R647 WeakPolarHBondContact OD1-CB 3.46Å; D645-R647 PolarHBondContact OD1-N 2.84Å; D645-V648 PolarHBondContact OD1-N 2.99Å; D645-H690 IonicContact OD1-CG 2.65Å; D645-H690 IonicContact OD1-ND1 4Å; D645-H690 PolarHBondContact OD1-ND1 3.38Å; D645-H690 IonicContact OD2-CE1 3.29Å; D645-H690 IonicContact OD2-CG 2.71Å; D645-H690 IonicContact OD2-ND1 2.69Å; D645-H690 PolarHBondContact OD2-ND1 2.82Å
646	E	83.6	Confident	93.4	Very high	106 Å²	106	37.3 Å²	37.3	50%	0.495	19%	0.186	S	C	.	.	S	Bend	trans	-73	-10.6	175	-66	-161.4	159.5	0	0	113.6	L225 N644	L225-E646 HydrophobicContact CD1-CB 3.71Å; L225-E646 HydrophobicContact CD2-CB 4.16Å; L225-E646 WeakPolarHBondContact CD2-OE2 3.45Å; L225-E646 HydrophobicContact CG-CB 3.92Å; L225-E646 WeakPolarHBondContact CG-OE2 3.12Å; N644-E646 PolarHBondContact O-N 2.78Å
647	R	88.6	Confident	93.3	Very high	91 Å²	91	37.5 Å²	37.5	34%	0.343	19%	0.187	S	C	.	.	S	Bend	trans	-95.9	-46.4	-176.4	-60.5	-169.3	179.1	-113.8	0.2	112.4	E180 L225 L599 D645 H690	E180-R647 IonicContact OE1-CZ 3.67Å; E180-R647 IonicContact OE1-NE 3.77Å; E180-R647 PolarHBondContact OE1-NE 2.81Å; E180-R647 IonicContact OE1-NH2 2.63Å; E180-R647 IonicContact OE2-CZ 3.55Å; E180-R647 IonicContact OE2-NE 3.9Å; E180-R647 PolarHBondContact OE2-NE 3.03Å; E180-R647 IonicContact OE2-NH2 3.58Å; E180-R647 PolarHBondContact OE2-NH2 3.19Å; L225-R647 HydrophobicContact CD1-CB 4.44Å; L225-R647 HydrophobicContact CD1-CG 3.47Å; L225-R647 VanDerWaalsContact CD1-CG 3.47Å; L599-R647 HydrophobicContact CD1-CB 3.97Å; L599-R647 HydrophobicContact CD1-CG 3.98Å; D645-R647 PolarHBondContact O-N 2.76Å; D645-R647 WeakPolarHBondContact OD1-CA 3.14Å; D645-R647 WeakPolarHBondContact OD1-CB 3.46Å; D645-R647 PolarHBondContact OD1-N 2.84Å; R647-H690 HydrophobicContact CB-CB 4.02Å; R647-H690 HydrophobicContact CG-CB 3.9Å
648	V	91.6	Very high	93.3	Very high	9 Å²	9	42.5 Å²	42.5	6%	0.055	21%	0.21	C	C	.	.	S	Bend	trans	-118.7	106.1	-179.8	177.3	0	0	0	0	110	F585 D645 L650 I653 H690	F585-V648 HydrophobicContact CB-CG1 4.37Å; F585-V648 HydrophobicContact CB-CG2 4.26Å; D645-V648 PolarHBondContact OD1-N 2.99Å; V648-L650 PolarHBondContact O-N 2.91Å; V648-L650 VanDerWaalsContact O-N 3.09Å; V648-I653 HydrophobicContact CG1-CD1 3.99Å; V648-I653 HydrophobicContact CG1-CG1 4.44Å; V648-H690 VanDerWaalsContact CG2-CE1 3.45Å; V648-H690 WeakPolarHBondContact CG2-CE1 3.24Å
649	P	90.9	Very high	93.3	Very high	36 Å²	36	44.8 Å²	44.8	23%	0.234	22%	0.22	C	C	.	.			trans	-60.6	114.8	-174.2	-25.3	33.3	0	0	0	113.6	L597 K651 G652	L597-P649 HydrophobicContact CD1-CG 3.94Å; L597-P649 HydrophobicContact CD2-CG 4.26Å; P649-K651 PolarHBondContact O-N 2.83Å; P649-G652 PolarHBondContact O-N 2.87Å
650	L	93.1	Very high	93.4	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-47.2	-36.3	178.9	178.9	62.2	0	0	0	113.5	A641 V648 G652 I653 V654 I684	A641-L650 HydrophobicContact CB-CD1 3.71Å; V648-L650 PolarHBondContact O-N 2.91Å; V648-L650 VanDerWaalsContact O-N 3.09Å; L650-G652 VanDerWaalsContact C-N 3.27Å; L650-G652 PolarHBondContact O-N 2.9Å; L650-I653 WeakPolarHBondContact O-CB 3.42Å; L650-I653 PolarHBondContact O-N 2.84Å; L650-V654 HydrophobicContact CD1-CG2 4.27Å; L650-V654 HydrophobicContact CG-CG2 4.21Å; L650-V654 WeakPolarHBondContact O-CG2 3.25Å; L650-V654 PolarHBondContact O-N 2.84Å; L650-I684 HydrophobicContact CD1-CD1 4.22Å; L650-I684 HydrophobicContact CD1-CG1 4.35Å; L650-I684 HydrophobicContact CD1-CG2 4.39Å; L650-I684 HydrophobicContact CD2-CG2 4.23Å
651	K	94.3	Very high	93.5	Very high	169 Å²	169	49.3 Å²	49.3	74%	0.735	24%	0.24	S	C	*	.	H	α-helix	trans	-50.9	-42.4	174.8	-176.8	-175.2	175.7	-173.1	0	113.2	P649 I653 V654 S655	P649-K651 PolarHBondContact O-N 2.83Å; K651-I653 VanDerWaalsContact C-N 3.33Å; K651-V654 PolarHBondContact O-N 2.87Å; K651-S655 PolarHBondContact O-N 2.86Å; K651-S655 PolarHBondContact O-OG 2.77Å
652	G	95.6	Very high	93.8	Very high	11 Å²	11	55.5 Å²	55.5	11%	0.113	27%	0.269	C	S	.	.	H	α-helix	trans	-68.1	-33.5	179.1	0	0	0	0	0	112.6	P649 L650 Y656	P649-G652 PolarHBondContact O-N 2.87Å; L650-G652 VanDerWaalsContact C-N 3.27Å; L650-G652 PolarHBondContact O-N 2.9Å; G652-Y656 VanDerWaalsContact O-CB 3.22Å; G652-Y656 WeakPolarHBondContact O-CB 3.29Å; G652-Y656 PolarHBondContact O-N 2.9Å
653	I	97.3	Very high	94.2	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.01	27%	0.27	C	S	.	.	H	α-helix	trans	-71.8	-43.4	176.5	-62.3	166.2	0	0	0	110.8	P584 I639 A641 V648 L650 K651 Y656 T657 L682	P584-I653 HydrophobicContact CG-CD1 4.43Å; P584-I653 HydrophobicContact CG-CG1 4.39Å; P584-I653 WeakPolarHBondContact O-CG1 3.23Å; I639-I653 HydrophobicContact CG2-CG2 3.64Å; A641-I653 HydrophobicContact CB-CD1 3.92Å; A641-I653 HydrophobicContact CB-CG2 4.21Å; V648-I653 HydrophobicContact CG1-CD1 3.99Å; V648-I653 HydrophobicContact CG1-CG1 4.44Å; L650-I653 WeakPolarHBondContact O-CB 3.42Å; L650-I653 PolarHBondContact O-N 2.84Å; K651-I653 VanDerWaalsContact C-N 3.33Å; I653-Y656 PolarHBondContact O-N 2.81Å; I653-T657 WeakPolarHBondContact O-CB 3.27Å; I653-T657 PolarHBondContact O-N 2.9Å; I653-T657 PolarHBondContact O-OG1 2.87Å; I653-L682 HydrophobicContact CG2-CD1 3.71Å
654	V	97.9	Very high	94.6	Very high	42 Å²	42	50.7 Å²	50.7	26%	0.255	25%	0.248	S	C	.	.	H	α-helix	trans	-61	-54.9	176.3	174.5	0	0	0	0	110.4	L650 K651 Y656 T657 E658 L682 I684	L650-V654 HydrophobicContact CD1-CG2 4.27Å; L650-V654 HydrophobicContact CG-CG2 4.21Å; L650-V654 WeakPolarHBondContact O-CG2 3.25Å; L650-V654 PolarHBondContact O-N 2.84Å; K651-V654 PolarHBondContact O-N 2.87Å; V654-Y656 VanDerWaalsContact C-N 3.29Å; V654-Y656 PolarHBondContact O-N 2.84Å; V654-T657 WeakPolarHBondContact O-CA 3.42Å; V654-T657 WeakPolarHBondContact O-CB 3.27Å; V654-T657 PolarHBondContact O-N 3.48Å; V654-E658 HydrophobicContact CG1-CG 4.4Å; V654-E658 WeakPolarHBondContact O-CG 3.05Å; V654-E658 PolarHBondContact O-N 2.9Å; V654-L682 HydrophobicContact CG2-CD2 4.19Å; V654-I684 HydrophobicContact CG2-CD1 4.35Å
655	S	98.1	Very high	95.2	Very high	33 Å²	33	48.5 Å²	48.5	23%	0.231	24%	0.24	C	C	.	.	H	α-helix	trans	-64.7	-30.2	-179.6	-64.3	0	0	0	0	113.6	Y626 K651 K659	Y626-S655 WeakPolarHBondContact CE2-O 3.28Å; K651-S655 PolarHBondContact O-N 2.86Å; K651-S655 PolarHBondContact O-OG 2.77Å; S655-K659 WeakPolarHBondContact O-CB 3.44Å; S655-K659 PolarHBondContact O-N 3.05Å; S655-K659 VanDerWaalsContact O-N 3.17Å
656	Y	98.6	Very high	95.6	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-61.8	-47.6	167.9	175.2	-83.5	0	0	0	112	L586 P625 I629 I639 G652 I653 V654 L660	L586-Y656 HydrophobicContact CB-CD2 3.76Å; L586-Y656 HydrophobicContact CB-CE2 4.33Å; L586-Y656 HydrophobicContact CB-CG 3.91Å; L586-Y656 HydrophobicContact CD1-CD1 3.58Å; L586-Y656 HydrophobicContact CD1-CD2 4.19Å; L586-Y656 HydrophobicContact CD1-CE1 3.82Å; L586-Y656 HydrophobicContact CD1-CE2 4.41Å; L586-Y656 HydrophobicContact CD1-CG 3.78Å; L586-Y656 HydrophobicContact CD2-CD2 4.45Å; L586-Y656 HydrophobicContact CD2-CE2 4.17Å; L586-Y656 HydrophobicContact CG-CD2 4.35Å; L586-Y656 HydrophobicContact CG-CG 4.37Å; P625-Y656 HydrophobicContact CB-CD2 4.15Å; P625-Y656 HydrophobicContact CB-CE2 3.61Å; I629-Y656 HydrophobicContact CD1-CD2 3.68Å; I629-Y656 HydrophobicContact CD1-CE2 3.76Å; I629-Y656 HydrophobicContact CD1-CG 4.24Å; I629-Y656 HydrophobicContact CG1-CE2 4.21Å; I639-Y656 HydrophobicContact CD1-CD1 4.05Å; I639-Y656 HydrophobicContact CD1-CE1 4.12Å; G652-Y656 VanDerWaalsContact O-CB 3.22Å; G652-Y656 WeakPolarHBondContact O-CB 3.29Å; G652-Y656 PolarHBondContact O-N 2.9Å; I653-Y656 PolarHBondContact O-N 2.81Å; V654-Y656 VanDerWaalsContact C-N 3.29Å; V654-Y656 PolarHBondContact O-N 2.84Å; Y656-L660 HydrophobicContact CE1-CB 4.48Å; Y656-L660 HydrophobicContact CE1-CD2 3.68Å; Y656-L660 VanDerWaalsContact O-CB 3.24Å; Y656-L660 WeakPolarHBondContact O-CB 3.29Å; Y656-L660 PolarHBondContact O-N 3Å
657	T	98.6	Very high	96.2	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-63.7	-44.1	-177.8	-57.2	0	0	0	0	111.8	I653 V654 K661 I680 L682	I653-T657 WeakPolarHBondContact O-CB 3.27Å; I653-T657 PolarHBondContact O-N 2.9Å; I653-T657 PolarHBondContact O-OG1 2.87Å; V654-T657 WeakPolarHBondContact O-CA 3.42Å; V654-T657 WeakPolarHBondContact O-CB 3.27Å; V654-T657 PolarHBondContact O-N 3.48Å; T657-K661 HydrophobicContact CG2-CD 4.23Å; T657-K661 WeakPolarHBondContact O-CG 3.32Å; T657-K661 PolarHBondContact O-N 3.08Å; T657-K661 VanDerWaalsContact O-N 3.08Å; T657-I680 HydrophobicContact CG2-CG2 4.18Å; T657-L682 HydrophobicContact CG2-CB 3.79Å; T657-L682 HydrophobicContact CG2-CD2 4.11Å
658	E	98.4	Very high	96.4	Very high	108 Å²	108	46.9 Å²	46.9	51%	0.505	24%	0.242	S	C	.	.	H	α-helix	trans	-60.1	-56.1	177.2	-68.1	170.5	142.6	0	0	110.6	V654 L660 K661 E662	V654-E658 HydrophobicContact CG1-CG 4.4Å; V654-E658 WeakPolarHBondContact O-CG 3.05Å; V654-E658 PolarHBondContact O-N 2.9Å; E658-L660 VanDerWaalsContact C-N 3.29Å; E658-L660 PolarHBondContact O-N 3.12Å; E658-K661 WeakPolarHBondContact O-CB 3.18Å; E658-K661 PolarHBondContact O-N 3.08Å; E658-K661 VanDerWaalsContact O-N 3.09Å; E658-E662 WeakPolarHBondContact O-CG 3.18Å; E658-E662 PolarHBondContact O-N 2.72Å
659	K	98.6	Very high	96.4	Very high	55 Å²	55	53.5 Å²	53.5	24%	0.239	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-34.7	-179.3	-172.4	-177.7	173.4	-169.2	0	112.9	Y626 I629 S655 A663	Y626-K659 HydrophobicContact CD2-CB 4.46Å; Y626-K659 HydrophobicContact CD2-CD 3.88Å; Y626-K659 HydrophobicContact CE2-CB 3.91Å; Y626-K659 HydrophobicContact CE2-CD 3.45Å; Y626-K659 VanDerWaalsContact CE2-CD 3.45Å; Y626-K659 HydrophobicContact CE2-CG 4.31Å; Y626-K659 PolarHBondContact O-NZ 3.18Å; I629-K659 HydrophobicContact CB-CD 4.18Å; I629-K659 HydrophobicContact CB-CG 4.29Å; I629-K659 HydrophobicContact CD1-CB 4.17Å; I629-K659 HydrophobicContact CD1-CD 4.18Å; I629-K659 HydrophobicContact CD1-CG 4.21Å; I629-K659 HydrophobicContact CG2-CD 4.43Å; I629-K659 HydrophobicContact CG2-CG 4.01Å; S655-K659 WeakPolarHBondContact O-CB 3.44Å; S655-K659 PolarHBondContact O-N 3.05Å; S655-K659 VanDerWaalsContact O-N 3.17Å; K659-A663 WeakPolarHBondContact O-CB 3.45Å; K659-A663 PolarHBondContact O-N 3.09Å
660	L	98.6	Very high	96.2	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-65.5	-44.8	175.1	-179.8	58.2	0	0	0	111.1	I629 Y634 V637 Y656 E658 A663 I664 I680	I629-L660 HydrophobicContact CD1-CB 4.16Å; Y634-L660 HydrophobicContact CD1-CD1 3.77Å; Y634-L660 HydrophobicContact CD2-CD1 3.75Å; Y634-L660 HydrophobicContact CE1-CD1 3.81Å; Y634-L660 HydrophobicContact CE2-CD1 3.8Å; Y634-L660 HydrophobicContact CG-CD1 3.74Å; V637-L660 HydrophobicContact CG2-CD2 4.29Å; Y656-L660 HydrophobicContact CE1-CB 4.48Å; Y656-L660 HydrophobicContact CE1-CD2 3.68Å; Y656-L660 VanDerWaalsContact O-CB 3.24Å; Y656-L660 WeakPolarHBondContact O-CB 3.29Å; Y656-L660 PolarHBondContact O-N 3Å; E658-L660 VanDerWaalsContact C-N 3.29Å; E658-L660 PolarHBondContact O-N 3.12Å; L660-A663 PolarHBondContact O-N 3Å; L660-I664 HydrophobicContact CD1-CD1 3.88Å; L660-I664 HydrophobicContact CD1-CG1 4.38Å; L660-I664 HydrophobicContact CG-CD1 3.83Å; L660-I664 WeakPolarHBondContact O-CD1 3.4Å; L660-I664 VanDerWaalsContact O-CG1 3.29Å; L660-I664 WeakPolarHBondContact O-CG1 3.47Å; L660-I664 PolarHBondContact O-N 3.19Å; L660-I680 HydrophobicContact CD2-CD1 4.04Å; L660-I680 HydrophobicContact CD2-CG2 4.23Å; L660-I680 HydrophobicContact CG-CD1 4.42Å
661	K	98.4	Very high	95.8	Very high	94 Å²	94	59.3 Å²	59.3	41%	0.409	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-39.5	175.8	-73.2	173.3	178.4	-179.4	0	112.3	T657 E658 S665 I680	T657-K661 HydrophobicContact CG2-CD 4.23Å; T657-K661 WeakPolarHBondContact O-CG 3.32Å; T657-K661 PolarHBondContact O-N 3.08Å; T657-K661 VanDerWaalsContact O-N 3.08Å; E658-K661 WeakPolarHBondContact O-CB 3.18Å; E658-K661 PolarHBondContact O-N 3.08Å; E658-K661 VanDerWaalsContact O-N 3.09Å; K661-S665 WeakPolarHBondContact O-CB 3.48Å; K661-S665 PolarHBondContact O-N 3.32Å; K661-I680 HydrophobicContact CD-CG2 4.44Å; K661-I680 WeakPolarHBondContact CE-O 3.1Å; K661-I680 HydrophobicContact CG-CB 4.04Å; K661-I680 HydrophobicContact CG-CG1 4.46Å; K661-I680 HydrophobicContact CG-CG2 4.04Å; K661-I680 PolarHBondContact NZ-O 2.84Å
662	E	98.3	Very high	95	Very high	131 Å²	131	53.2 Å²	53.2	61%	0.612	29%	0.287	S	S	*	.	H	α-helix	trans	-59.9	-51.4	173.4	-70.7	178.9	152.8	0	0	111.7	E658 I664 S665 E666	E658-E662 WeakPolarHBondContact O-CG 3.18Å; E658-E662 PolarHBondContact O-N 2.72Å; E662-I664 VanDerWaalsContact C-N 3.34Å; E662-I664 PolarHBondContact O-N 3.25Å; E662-S665 CarbonylContact O-C 3.52Å; E662-S665 WeakPolarHBondContact O-CA 3.17Å; E662-S665 WeakPolarHBondContact O-CB 3.39Å; E662-S665 PolarHBondContact O-N 3.07Å; E662-E666 PolarHBondContact O-N 2.91Å
663	A	98.2	Very high	94	Very high	6 Å²	6	62.6 Å²	62.6	5%	0.05	33%	0.328	C	S	.	.	H	α-helix	trans	-62.8	-36.9	-179.5	0	0	0	0	0	113.4	I629 K659 L660 E666 H667	I629-A663 HydrophobicContact CG2-CB 3.54Å; K659-A663 WeakPolarHBondContact O-CB 3.45Å; K659-A663 PolarHBondContact O-N 3.09Å; L660-A663 PolarHBondContact O-N 3Å; A663-E666 PolarHBondContact O-N 2.91Å; A663-H667 WeakPolarHBondContact O-CB 3.43Å; A663-H667 PolarHBondContact O-N 2.87Å
664	I	97.3	Very high	93	Very high	9 Å²	9	66.6 Å²	66.6	5%	0.046	37%	0.369	C	S	.	.	H	α-helix	trans	-66.4	-40.7	172.4	-69.9	159	0	0	0	110.8	Y634 L660 E662 H667 A668 A677 P678 I680	Y634-I664 HydrophobicContact CD2-CD1 4.27Å; Y634-I664 HydrophobicContact CD2-CG1 3.72Å; Y634-I664 HydrophobicContact CE2-CG1 4.48Å; Y634-I664 HydrophobicContact CG-CG1 4.43Å; L660-I664 HydrophobicContact CD1-CD1 3.88Å; L660-I664 HydrophobicContact CD1-CG1 4.38Å; L660-I664 HydrophobicContact CG-CD1 3.83Å; L660-I664 WeakPolarHBondContact O-CD1 3.4Å; L660-I664 VanDerWaalsContact O-CG1 3.29Å; L660-I664 WeakPolarHBondContact O-CG1 3.47Å; L660-I664 PolarHBondContact O-N 3.19Å; E662-I664 VanDerWaalsContact C-N 3.34Å; E662-I664 PolarHBondContact O-N 3.25Å; I664-H667 PolarHBondContact O-N 2.93Å; I664-A668 VanDerWaalsContact O-CB 3.32Å; I664-A668 WeakPolarHBondContact O-CB 3.16Å; I664-A668 PolarHBondContact O-N 2.92Å; I664-A677 HydrophobicContact CG2-CB 4.28Å; I664-P678 HydrophobicContact CD1-CG 3.89Å; I664-P678 HydrophobicContact CG1-CG 4.25Å; I664-P678 HydrophobicContact CG2-CG 4.12Å; I664-I680 HydrophobicContact CD1-CD1 3.71Å; I664-I680 HydrophobicContact CD1-CG1 3.55Å
665	S	95.8	Very high	92.4	Very high	55 Å²	55	66.9 Å²	66.9	39%	0.385	37%	0.366	S	S	.	.	H	α-helix	trans	-67.3	-33.9	176.8	-175.9	0	0	0	0	112.8	K661 E662 K669	K661-S665 WeakPolarHBondContact O-CB 3.48Å; K661-S665 PolarHBondContact O-N 3.32Å; E662-S665 CarbonylContact O-C 3.52Å; E662-S665 WeakPolarHBondContact O-CA 3.17Å; E662-S665 WeakPolarHBondContact O-CB 3.39Å; E662-S665 PolarHBondContact O-N 3.07Å; S665-K669 VanDerWaalsContact O-CD 3.26Å; S665-K669 WeakPolarHBondContact O-CD 3.43Å; S665-K669 WeakPolarHBondContact O-CE 3.24Å; S665-K669 WeakPolarHBondContact O-CG 3.26Å; S665-K669 PolarHBondContact O-NZ 3.16Å; S665-K669 PolarHBondContact OG-NZ 2.71Å; S665-K669 VanDerWaalsContact OG-NZ 3.1Å
666	E	95.9	Very high	91.9	Very high	104 Å²	104	71.9 Å²	71.9	49%	0.486	39%	0.385	S	S	.	.	H	α-helix	trans	-66.2	-54.2	172.4	-167.8	171.3	172.3	0	0	110.4	P631 E662 A663 A668 K669 D670	P631-E666 HydrophobicContact CB-CB 4.16Å; P631-E666 HydrophobicContact CB-CG 4.13Å; P631-E666 HydrophobicContact CG-CB 4.08Å; P631-E666 HydrophobicContact CG-CG 3.85Å; P631-E666 VanDerWaalsContact CG-OE2 3.28Å; P631-E666 WeakPolarHBondContact CG-OE2 3.16Å; E662-E666 PolarHBondContact O-N 2.91Å; A663-E666 PolarHBondContact O-N 2.91Å; E666-A668 VanDerWaalsContact C-N 3.29Å; E666-A668 PolarHBondContact O-N 2.91Å; E666-K669 WeakPolarHBondContact O-CB 3.5Å; E666-K669 PolarHBondContact O-N 2.89Å; E666-D670 PolarHBondContact O-N 2.9Å
667	H	95.4	Very high	91.6	Very high	41 Å²	41	74.3 Å²	74.3	19%	0.19	41%	0.406	C	S	.	.	H	α-helix	trans	-59.6	-35.7	179.1	-175.9	55.3	0	0	0	113.9	P631 Q632 H633 A663 I664 K669 D670 T671 Y675	P631-H667 HydrophobicContact CB-CB 4.28Å; Q632-H667 VanDerWaalsContact C-CG 3.43Å; Q632-H667 PolarHBondContact O-CD2 2.69Å; H633-H667 PolarHBondContact N-CD2 2.7Å; H633-H667 PolarHBondContact N-NE2 3.34Å; A663-H667 WeakPolarHBondContact O-CB 3.43Å; A663-H667 PolarHBondContact O-N 2.87Å; I664-H667 PolarHBondContact O-N 2.93Å; H667-K669 VanDerWaalsContact C-N 3.28Å; H667-K669 PolarHBondContact O-N 2.85Å; H667-D670 PolarHBondContact O-N 3.05Å; H667-T671 PolarHBondContact CE1-OG1 3.41Å; H667-T671 VanDerWaalsContact CE1-OG1 3.23Å; H667-T671 WeakPolarHBondContact O-CB 3.11Å; H667-T671 PolarHBondContact O-N 3.03Å; H667-T671 VanDerWaalsContact O-N 3.08Å; H667-T671 PolarHBondContact O-OG1 2.85Å; H667-Y675 AromaticContact CD2-CE2 3.87Å; H667-Y675 AromaticContact CD2-CZ 3.85Å
668	A	93.4	Very high	91.5	Very high	33 Å²	33	74.8 Å²	74.8	27%	0.273	41%	0.409	S	S	.	.	H	α-helix	trans	-62.8	-32.5	176.1	0	0	0	0	0	113	I664 E666 Y675	I664-A668 VanDerWaalsContact O-CB 3.32Å; I664-A668 WeakPolarHBondContact O-CB 3.16Å; I664-A668 PolarHBondContact O-N 2.92Å; E666-A668 VanDerWaalsContact C-N 3.29Å; E666-A668 PolarHBondContact O-N 2.91Å; A668-Y675 HydrophobicContact CB-CD1 3.66Å; A668-Y675 HydrophobicContact CB-CE1 3.87Å
669	K	91.4	Very high	91.4	Very high	147 Å²	147	73.9 Å²	73.9	64%	0.639	41%	0.408	S	S	*	.	H	α-helix	trans	-71.3	-39.5	177.2	-65.3	155.6	-165.6	146.5	0	111.4	S665 E666 H667	S665-K669 VanDerWaalsContact O-CD 3.26Å; S665-K669 WeakPolarHBondContact O-CD 3.43Å; S665-K669 WeakPolarHBondContact O-CE 3.24Å; S665-K669 WeakPolarHBondContact O-CG 3.26Å; S665-K669 PolarHBondContact O-NZ 3.16Å; S665-K669 PolarHBondContact OG-NZ 2.71Å; S665-K669 VanDerWaalsContact OG-NZ 3.1Å; E666-K669 WeakPolarHBondContact O-CB 3.5Å; E666-K669 PolarHBondContact O-N 2.89Å; H667-K669 VanDerWaalsContact C-N 3.28Å; H667-K669 PolarHBondContact O-N 2.85Å
670	D	87.7	Confident	91.4	Very high	128 Å²	128	72.2 Å²	72.2	68%	0.684	40%	0.401	S	S	*	.	H	α-helix	trans	-72.5	-28.6	179.8	-67	-17.3	0	0	0	113	E666 H667	E666-D670 PolarHBondContact O-N 2.9Å; H667-D670 PolarHBondContact O-N 3.05Å
671	T	84.9	Confident	91.4	Very high	71 Å²	71	75.6 Å²	75.6	44%	0.436	42%	0.419	S	S	.	.	H	α-helix	trans	-87.4	-23.2	-172.2	-51.7	0	0	0	0	113.5	H667 Y675	H667-T671 PolarHBondContact CE1-OG1 3.41Å; H667-T671 VanDerWaalsContact CE1-OG1 3.23Å; H667-T671 WeakPolarHBondContact O-CB 3.11Å; H667-T671 PolarHBondContact O-N 3.03Å; H667-T671 VanDerWaalsContact O-N 3.08Å; H667-T671 PolarHBondContact O-OG1 2.85Å; T671-Y675 HydrophobicContact CG2-CD2 4.04Å; T671-Y675 HydrophobicContact CG2-CG 4.32Å
672	G	77.2	Confident	91.3	Very high	41 Å²	41	73.3 Å²	73.3	42%	0.423	41%	0.411	S	S	.	.			trans	82.8	-167.4	173.5	0	0	0	0	0	115.7	G674	G672-G674 PolarHBondContact O-N 2.92Å
673	E	74.3	Confident	91.1	Very high	209 Å²	209	69 Å²	69	98%	0.977	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	128.7	-175.5	-65.2	-172.7	163.8	0	0	112
674	G	75.8	Confident	90.9	Very high	85 Å²	85	71.8 Å²	71.8	88%	0.876	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.9	-10	-179.7	0	0	0	0	0	115.1	G672 Q676	G672-G674 PolarHBondContact O-N 2.92Å; G674-Q676 PolarHBondContact O-N 2.85Å
675	Y	86.4	Confident	90.4	Very high	49 Å²	49	73.6 Å²	73.6	19%	0.192	41%	0.413	C	S	.	.			trans	-69.4	111.7	170.9	-179.4	-102.3	0	0	0	111.3	H633 H667 A668 T671 A677	H633-Y675 HydrophobicContact CB-CE2 4.25Å; H633-Y675 AromaticContact ND1-CE2 3.48Å; H633-Y675 WeakPolarHBondContact ND1-CE2 3.39Å; H633-Y675 AromaticContact ND1-CZ 3.63Å; H633-Y675 PolarHBondContact ND1-OH 2.84Å; H667-Y675 AromaticContact CD2-CE2 3.87Å; H667-Y675 AromaticContact CD2-CZ 3.85Å; A668-Y675 HydrophobicContact CB-CD1 3.66Å; A668-Y675 HydrophobicContact CB-CE1 3.87Å; T671-Y675 HydrophobicContact CG2-CD2 4.04Å; T671-Y675 HydrophobicContact CG2-CG 4.32Å; Y675-A677 HydrophobicContact CE1-CB 4.1Å; Y675-A677 PolarHBondContact O-N 3.26Å
676	Q	86.3	Confident	89.7	Confident	137 Å²	137	75.9 Å²	75.9	64%	0.64	43%	0.427	S	S	*	.			trans	-80.2	111.5	168.7	-174.8	176.3	2	0	0	109.3	G674	G674-Q676 PolarHBondContact O-N 2.85Å
677	A	92.3	Very high	88.4	Confident	52 Å²	52	72 Å²	72	43%	0.43	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-65.9	137.7	174.5	0	0	0	0	0	111.1	I664 Y675	I664-A677 HydrophobicContact CG2-CB 4.28Å; Y675-A677 HydrophobicContact CE1-CB 4.1Å; Y675-A677 PolarHBondContact O-N 3.26Å
678	P	96.2	Very high	86.8	Confident	15 Å²	15	70.1 Å²	70.1	10%	0.097	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-68.1	148.1	174.5	29.5	-37	0	0	0	111.7	Y634 S636 I664 I680	Y634-P678 WeakPolarHBondContact O-CB 3.47Å; Y634-P678 WeakPolarHBondContact O-CG 3.42Å; S636-P678 WeakPolarHBondContact OG-CA 3.19Å; I664-P678 HydrophobicContact CD1-CG 3.89Å; I664-P678 HydrophobicContact CG1-CG 4.25Å; I664-P678 HydrophobicContact CG2-CG 4.12Å; P678-I680 HydrophobicContact CG-CD1 4.48Å; P678-I680 PolarHBondContact O-N 3.4Å
679	N	97.7	Very high	85.6	Confident	89 Å²	89	69 Å²	69	48%	0.476	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-78.6	122.2	176.8	-75.8	-46.8	0	0	0	110.3	S636 V637 F705 E709	S636-N679 CarbonylContact C-O 3.53Å; S636-N679 WeakPolarHBondContact CA-O 3.26Å; S636-N679 WeakPolarHBondContact CB-O 3.18Å; S636-N679 PolarHBondContact OG-N 2.92Å; V637-N679 PolarHBondContact N-O 3.15Å; N679-F705 HydrophobicContact CB-CE2 4.43Å; N679-E709 WeakPolarHBondContact CB-OE1 3.45Å; N679-E709 PolarHBondContact ND2-OE1 2.78Å
680	I	98.3	Very high	84.8	Confident	20 Å²	20	62.3 Å²	62.3	10%	0.103	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	97	178.6	-50.3	-61.3	0	0	0	109.7	V637 T657 L660 K661 I664 P678	V637-I680 HydrophobicContact CB-CD1 3.95Å; V637-I680 HydrophobicContact CG2-CD1 3.87Å; V637-I680 CarbonylContact O-C 3.59Å; V637-I680 WeakPolarHBondContact O-CA 3.3Å; T657-I680 HydrophobicContact CG2-CG2 4.18Å; L660-I680 HydrophobicContact CD2-CD1 4.04Å; L660-I680 HydrophobicContact CD2-CG2 4.23Å; L660-I680 HydrophobicContact CG-CD1 4.42Å; K661-I680 HydrophobicContact CD-CG2 4.44Å; K661-I680 WeakPolarHBondContact CE-O 3.1Å; K661-I680 HydrophobicContact CG-CB 4.04Å; K661-I680 HydrophobicContact CG-CG1 4.46Å; K661-I680 HydrophobicContact CG-CG2 4.04Å; K661-I680 PolarHBondContact NZ-O 2.84Å; I664-I680 HydrophobicContact CD1-CD1 3.71Å; I664-I680 HydrophobicContact CD1-CG1 3.55Å; P678-I680 HydrophobicContact CG-CD1 4.48Å; P678-I680 PolarHBondContact O-N 3.4Å
681	I	98.1	Very high	83.5	Confident	72 Å²	72	60.3 Å²	60.3	37%	0.369	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	132.4	179.7	-57.4	170.1	0	0	0	108.7	V637 H638 I639 F705	V637-I681 PolarHBondContact O-N 2.87Å; H638-I681 HydrophobicContact CB-CB 4.39Å; I639-I681 PolarHBondContact N-O 2.98Å; I681-F705 HydrophobicContact CD1-CD2 3.8Å; I681-F705 HydrophobicContact CD1-CE2 4.24Å
682	L	97.3	Very high	82.2	Confident	46 Å²	46	58.5 Å²	58.5	24%	0.241	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	112.6	164.5	171.2	63	0	0	0	106.9	I639 A641 I653 V654 T657 I684	I639-L682 HydrophobicContact CB-CD1 3.92Å; I639-L682 HydrophobicContact CG2-CD1 3.78Å; I639-L682 WeakPolarHBondContact O-CA 3.39Å; A641-L682 HydrophobicContact CB-CD1 4.29Å; I653-L682 HydrophobicContact CG2-CD1 3.71Å; V654-L682 HydrophobicContact CG2-CD2 4.19Å; T657-L682 HydrophobicContact CG2-CB 3.79Å; T657-L682 HydrophobicContact CG2-CD2 4.11Å; L682-I684 HydrophobicContact CD1-CG1 4.2Å; L682-I684 HydrophobicContact CD2-CD1 4.16Å; L682-I684 HydrophobicContact CD2-CG1 4.26Å; L682-I684 HydrophobicContact CG-CD1 4.38Å; L682-I684 HydrophobicContact CG-CG1 3.94Å
683	D	94.3	Very high	81.3	Confident	40 Å²	40	61.8 Å²	61.8	21%	0.214	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	104	178.4	179.5	13.8	0	0	0	107.8	H638 I639 T640 A641 Q685	H638-D683 IonicContact NE2-OD2 3.8Å; I639-D683 PolarHBondContact O-N 3.42Å; T640-D683 CarbonylContact C-O 3.56Å; T640-D683 WeakPolarHBondContact CA-O 3.41Å; A641-D683 PolarHBondContact N-O 2.66Å; D683-Q685 VanDerWaalsContact CG-NE2 3.29Å; D683-Q685 PolarHBondContact OD1-NE2 3.03Å; D683-Q685 PolarHBondContact OD2-NE2 3.02Å; D683-Q685 VanDerWaalsContact OD2-NE2 3.16Å
684	I	92.3	Very high	80.8	Confident	65 Å²	65	53.5 Å²	53.5	33%	0.333	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	107.8	175.6	-53.7	178.4	0	0	0	106.7	A641 E643 L650 V654 L682	A641-I684 WeakPolarHBondContact O-CA 3.48Å; E643-I684 HydrophobicContact CG-CG2 3.79Å; L650-I684 HydrophobicContact CD1-CD1 4.22Å; L650-I684 HydrophobicContact CD1-CG1 4.35Å; L650-I684 HydrophobicContact CD1-CG2 4.39Å; L650-I684 HydrophobicContact CD2-CG2 4.23Å; V654-I684 HydrophobicContact CG2-CD1 4.35Å; L682-I684 HydrophobicContact CD1-CG1 4.2Å; L682-I684 HydrophobicContact CD2-CD1 4.16Å; L682-I684 HydrophobicContact CD2-CG1 4.26Å; L682-I684 HydrophobicContact CG-CD1 4.38Å; L682-I684 HydrophobicContact CG-CG1 3.94Å
685	Q	86.9	Confident	80.4	Confident	47 Å²	47	51.7 Å²	51.7	22%	0.22	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.8	176.8	-63.7	-70.1	-81.9	0	0	109	T640 A641 Y642 E643 D683	T640-Q685 HydrophobicContact CG2-CG 3.84Å; A641-Q685 PolarHBondContact O-N 3.12Å; Y642-Q685 HydrophobicContact CD1-CB 3.67Å; Y642-Q685 HydrophobicContact CD1-CG 4.15Å; Y642-Q685 HydrophobicContact CE1-CB 3.94Å; Y642-Q685 HydrophobicContact CE1-CG 3.92Å; E643-Q685 PolarHBondContact N-O 2.97Å; D683-Q685 VanDerWaalsContact CG-NE2 3.29Å; D683-Q685 PolarHBondContact OD1-NE2 3.03Å; D683-Q685 PolarHBondContact OD2-NE2 3.02Å; D683-Q685 VanDerWaalsContact OD2-NE2 3.16Å
686	P	81.5	Confident	79.8	Confident	103 Å²	103	52.6 Å²	52.6	67%	0.669	29%	0.293	S	S	*	.	S	Bend	trans	-72.2	136	-178.6	29.8	-34.4	0	0	0	110.6	E643	E643-P686 VanDerWaalsContact OE2-CA 3.3Å; E643-P686 WeakPolarHBondContact OE2-CA 3.3Å
687	G	69.1	Low	79.4	Confident	21 Å²	21	54.3 Å²	54.3	22%	0.216	30%	0.298	C	S	.	.	S	Bend	trans	69.1	-149.6	-170.1	0	0	0	0	0	113.3	E643	E643-G687 PolarHBondContact N-O 2.88Å; E643-G687 PolarHBondContact OE2-N 3.05Å
688	G	61.3	Low	79	Confident	2 Å²	2	52 Å²	52	2%	0.021	28%	0.279	C	S	.	.			trans	73.8	162.2	173.1	0	0	0	0	0	116.9	D178 N644 I692	D178-G688 WeakPolarHBondContact OD1-CA 3.37Å; N644-G688 CarbonylContact C-O 3.56Å; N644-G688 WeakPolarHBondContact CB-O 3.48Å; N644-G688 PolarHBondContact N-O 2.77Å; G688-I692 VanDerWaalsContact CA-CD1 3.41Å
689	N	67.9	Low	78.4	Confident	9 Å²	9	51.8 Å²	51.8	5%	0.048	28%	0.276	C	S	.	.			trans	-121.1	-171	-178.9	66.9	64.9	0	0	0	112.2	E177 D178 S179 E180 Y642 V691 I692	E177-N689 PolarHBondContact O-ND2 3.01Å; D178-N689 PolarHBondContact O-ND2 3.22Å; D178-N689 VanDerWaalsContact O-ND2 3.12Å; S179-N689 WeakPolarHBondContact CA-ND2 3.21Å; S179-N689 PolarHBondContact N-ND2 3.21Å; E180-N689 HydrophobicContact CG-CB 4.23Å; Y642-N689 VanDerWaalsContact CD2-O 3.29Å; Y642-N689 WeakPolarHBondContact CD2-O 3.31Å; N689-V691 VanDerWaalsContact C-N 3.26Å; N689-V691 PolarHBondContact O-N 2.86Å; N689-V691 VanDerWaalsContact OD1-C 3.28Å; N689-V691 WeakPolarHBondContact OD1-CA 3.47Å; N689-V691 PolarHBondContact OD1-N 3.24Å; N689-I692 WeakPolarHBondContact O-CG1 3.48Å; N689-I692 PolarHBondContact OD1-N 3.14Å
690	H	75.3	Confident	77.9	Confident	8 Å²	8	49.5 Å²	49.5	4%	0.037	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-14.1	-177.9	-164.5	74	0	0	0	114.9	F558 S559 D645 R647 V648	F558-H690 WeakPolarHBondContact CE2-O 3.23Å; F558-H690 AromaticContact CZ-CD2 3.75Å; F558-H690 AromaticContact CZ-NE2 3.62Å; F558-H690 VanDerWaalsContact CZ-O 3.26Å; F558-H690 WeakPolarHBondContact CZ-O 3.41Å; S559-H690 WeakPolarHBondContact CB-NE2 3.44Å; S559-H690 PolarHBondContact OG-CE1 2.74Å; S559-H690 PolarHBondContact OG-NE2 3.32Å; D645-H690 IonicContact OD1-CG 2.65Å; D645-H690 IonicContact OD1-ND1 4Å; D645-H690 PolarHBondContact OD1-ND1 3.38Å; D645-H690 IonicContact OD2-CE1 3.29Å; D645-H690 IonicContact OD2-CG 2.71Å; D645-H690 IonicContact OD2-ND1 2.69Å; D645-H690 PolarHBondContact OD2-ND1 2.82Å; R647-H690 HydrophobicContact CB-CB 4.02Å; R647-H690 HydrophobicContact CG-CB 3.9Å; V648-H690 VanDerWaalsContact CG2-CE1 3.45Å; V648-H690 WeakPolarHBondContact CG2-CE1 3.24Å
691	V	59.6	Low	77.5	Confident	85 Å²	85	50.3 Å²	50.3	52%	0.515	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	43.1	-167.1	-157.7	0	0	0	0	111.4	N689	N689-V691 VanDerWaalsContact C-N 3.26Å; N689-V691 PolarHBondContact O-N 2.86Å; N689-V691 VanDerWaalsContact OD1-C 3.28Å; N689-V691 WeakPolarHBondContact OD1-CA 3.47Å; N689-V691 PolarHBondContact OD1-N 3.24Å
692	I	58.9	Low	77.2	Confident	33 Å²	33	47.7 Å²	47.7	17%	0.169	26%	0.261	C	S	.	.			trans	-70.5	141.5	170.2	-38.6	-178.3	0	0	0	109.6	Y642 G688 N689	Y642-I692 HydrophobicContact CD1-CD1 3.42Å; Y642-I692 VanDerWaalsContact CD1-CD1 3.42Å; Y642-I692 HydrophobicContact CD1-CG1 4.36Å; Y642-I692 HydrophobicContact CE1-CD1 3.39Å; Y642-I692 HydrophobicContact CE1-CG1 4.16Å; Y642-I692 HydrophobicContact CG-CD1 4.22Å; G688-I692 VanDerWaalsContact CA-CD1 3.41Å; N689-I692 WeakPolarHBondContact O-CG1 3.48Å; N689-I692 PolarHBondContact OD1-N 3.14Å
693	E	58.7	Low	77	Confident	111 Å²	111	45.9 Å²	45.9	52%	0.519	25%	0.252	S	S	.	.			trans	-54.3	157.1	167.9	-165.9	67.5	-100.6	0	0	111	R491 S695	R491-E693 IonicContact CZ-OE1 3.93Å; R491-E693 IonicContact NH1-OE1 3.69Å; R491-E693 PolarHBondContact NH1-OE1 2.86Å; R491-E693 IonicContact NH2-OE1 3.18Å; R491-E693 PolarHBondContact NH2-OE1 2.85Å; E693-S695 VanDerWaalsContact C-N 3.32Å; E693-S695 PolarHBondContact O-N 3.28Å
694	D	62.1	Low	77	Confident	34 Å²	34	48.6 Å²	48.6	18%	0.182	26%	0.262	C	S	.	.			trans	-74.7	80.8	-175.6	-71.8	-43.2	0	0	0	112	R491 H696 K698 I699	R491-D694 IonicContact CZ-OD2 3.13Å; R491-D694 IonicContact NE-OD2 2.69Å; R491-D694 PolarHBondContact NE-OD2 3.25Å; R491-D694 IonicContact NH2-OD2 3.71Å; R491-D694 PolarHBondContact NH2-OD2 3.46Å; D694-H696 PolarHBondContact O-N 2.68Å; D694-K698 WeakPolarHBondContact OD1-CE 3.27Å; D694-K698 IonicContact OD1-NZ 2.84Å; D694-K698 PolarHBondContact OD1-NZ 2.83Å; D694-I699 HydrophobicContact CB-CD1 3.77Å; D694-I699 HydrophobicContact CB-CG1 3.83Å; D694-I699 WeakPolarHBondContact O-CD1 3.44Å
695	S	68.8	Low	77.2	Confident	48 Å²	48	45.8 Å²	45.8	34%	0.336	25%	0.247	S	C	.	.			trans	-53.1	138.5	-177.8	87.3	0	0	0	0	111.7	E693 K697 K698 I699	E693-S695 VanDerWaalsContact C-N 3.32Å; E693-S695 PolarHBondContact O-N 3.28Å; S695-K697 PolarHBondContact O-N 3.06Å; S695-K698 WeakPolarHBondContact O-CA 2.96Å; S695-K698 WeakPolarHBondContact O-CB 3.34Å; S695-K698 PolarHBondContact O-N 3.26Å; S695-K698 WeakPolarHBondContact OG-CB 3.37Å; S695-K698 PolarHBondContact OG-N 2.68Å; S695-I699 PolarHBondContact O-N 2.83Å
696	H	72.9	Confident	77.7	Confident	68 Å²	68	43.9 Å²	43.9	32%	0.315	24%	0.238	S	C	.	.	H	α-helix	trans	-56.9	-28.8	-174.6	-62.1	167.8	0	0	0	112.5	D694 T700 K726 F727	D694-H696 PolarHBondContact O-N 2.68Å; H696-T700 WeakPolarHBondContact O-CB 3.46Å; H696-T700 PolarHBondContact O-N 2.97Å; H696-T700 PolarHBondContact O-OG1 3.4Å; H696-K726 PolarHBondContact CE1-O 2.76Å; H696-K726 PolarHBondContact ND1-O 2.78Å; H696-F727 HydrophobicContact CB-CE1 4.17Å; H696-F727 HydrophobicContact CB-CZ 4.25Å
697	K	78	Confident	78.5	Confident	173 Å²	173	39 Å²	39	75%	0.752	21%	0.207	S	C	*	.	H	α-helix	trans	-66.6	-48.5	172.9	-63.4	173.7	-172.9	165.5	0	111.8	S695 T700 A701	S695-K697 PolarHBondContact O-N 3.06Å; K697-T700 PolarHBondContact O-N 3.42Å; K697-A701 WeakPolarHBondContact O-CB 3.29Å; K697-A701 PolarHBondContact O-N 2.87Å
698	K	83.3	Confident	79.8	Confident	4 Å²	4	43.6 Å²	43.6	2%	0.017	22%	0.223	C	C	.	.	H	α-helix	trans	-60.5	-49.7	177.6	-172.3	-176.7	74.9	-180	0	111.3	E582 T640 Y642 D694 S695 T700 A701 Q702	E582-K698 VanDerWaalsContact CD-NZ 3.3Å; E582-K698 IonicContact OE1-NZ 3.83Å; E582-K698 PolarHBondContact OE1-NZ 2.77Å; E582-K698 WeakPolarHBondContact OE2-CD 3.37Å; E582-K698 WeakPolarHBondContact OE2-CE 3.17Å; E582-K698 IonicContact OE2-NZ 3.26Å; E582-K698 PolarHBondContact OE2-NZ 2.82Å; T640-K698 HydrophobicContact CG2-CD 4.07Å; T640-K698 HydrophobicContact CG2-CG 4.18Å; Y642-K698 WeakPolarHBondContact OH-CD 3.47Å; Y642-K698 PolarHBondContact OH-NZ 2.91Å; D694-K698 WeakPolarHBondContact OD1-CE 3.27Å; D694-K698 IonicContact OD1-NZ 2.84Å; D694-K698 PolarHBondContact OD1-NZ 2.83Å; S695-K698 WeakPolarHBondContact O-CA 2.96Å; S695-K698 WeakPolarHBondContact O-CB 3.34Å; S695-K698 PolarHBondContact O-N 3.26Å; S695-K698 WeakPolarHBondContact OG-CB 3.37Å; S695-K698 PolarHBondContact OG-N 2.68Å; K698-T700 PolarHBondContact O-N 2.97Å; K698-A701 PolarHBondContact O-N 2.81Å; K698-Q702 WeakPolarHBondContact O-CB 3.42Å; K698-Q702 WeakPolarHBondContact O-CG 3.49Å; K698-Q702 PolarHBondContact O-N 2.77Å
699	I	84.4	Confident	81.5	Confident	10 Å²	10	44 Å²	44	5%	0.051	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-51.5	174.7	-64.2	177.4	0	0	0	110.4	E493 D694 S695 A701 Q702 I703 L725	E493-I699 HydrophobicContact CB-CG2 3.81Å; E493-I699 HydrophobicContact CG-CG2 3.94Å; D694-I699 HydrophobicContact CB-CD1 3.77Å; D694-I699 HydrophobicContact CB-CG1 3.83Å; D694-I699 WeakPolarHBondContact O-CD1 3.44Å; S695-I699 PolarHBondContact O-N 2.83Å; I699-A701 PolarHBondContact O-N 2.79Å; I699-Q702 PolarHBondContact O-N 3.17Å; I699-I703 HydrophobicContact CG2-CD1 3.74Å; I699-I703 HydrophobicContact CG2-CG1 4.41Å; I699-I703 WeakPolarHBondContact O-CB 3.33Å; I699-I703 WeakPolarHBondContact O-CG1 3.39Å; I699-I703 PolarHBondContact O-N 3.27Å; I699-L725 HydrophobicContact CD1-CD1 3.92Å; I699-L725 HydrophobicContact CD1-CD2 4.47Å; I699-L725 HydrophobicContact CG2-CD1 4.18Å
700	T	87.6	Confident	82.9	Confident	40 Å²	40	44.5 Å²	44.5	25%	0.245	23%	0.227	C	C	.	.	H	α-helix	trans	-60.7	-44.1	-177.4	-62.8	0	0	0	0	111.6	H696 K697 K698 K704 F718	H696-T700 WeakPolarHBondContact O-CB 3.46Å; H696-T700 PolarHBondContact O-N 2.97Å; H696-T700 PolarHBondContact O-OG1 3.4Å; K697-T700 PolarHBondContact O-N 3.42Å; K698-T700 PolarHBondContact O-N 2.97Å; T700-K704 WeakPolarHBondContact O-CB 3.49Å; T700-K704 PolarHBondContact O-N 3.38Å; T700-F718 HydrophobicContact CG2-CD1 4.15Å; T700-F718 HydrophobicContact CG2-CE1 3.74Å; T700-F718 HydrophobicContact CG2-CZ 4.29Å
701	A	89.5	Confident	83.8	Confident	38 Å²	38	47.4 Å²	47.4	31%	0.314	26%	0.259	S	S	.	.	H	α-helix	trans	-66	-45.3	178.7	0	0	0	0	0	112.5	K697 K698 I699 K704 F705	K697-A701 WeakPolarHBondContact O-CB 3.29Å; K697-A701 PolarHBondContact O-N 2.87Å; K698-A701 PolarHBondContact O-N 2.81Å; I699-A701 PolarHBondContact O-N 2.79Å; A701-K704 PolarHBondContact O-N 3.35Å; A701-F705 WeakPolarHBondContact O-CB 3.39Å; A701-F705 PolarHBondContact O-N 2.59Å
702	Q	91.7	Very high	85.5	Confident	16 Å²	16	46.3 Å²	46.3	8%	0.075	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-44.7	177.2	-72.5	-177.3	14.3	0	0	111.9	T580 E582 T640 K698 I699 L706	T580-Q702 HydrophobicContact CG2-CB 4.06Å; T580-Q702 HydrophobicContact CG2-CG 4.25Å; E582-Q702 PolarHBondContact OE2-NE2 3.17Å; T640-Q702 PolarHBondContact OG1-NE2 3Å; K698-Q702 WeakPolarHBondContact O-CB 3.42Å; K698-Q702 WeakPolarHBondContact O-CG 3.49Å; K698-Q702 PolarHBondContact O-N 2.77Å; I699-Q702 PolarHBondContact O-N 3.17Å; Q702-L706 WeakPolarHBondContact O-CG 3.03Å; Q702-L706 PolarHBondContact O-N 3.46Å
703	I	93.1	Very high	86.9	Confident	9 Å²	9	50.1 Å²	50.1	5%	0.046	27%	0.27	C	S	.	.	H	α-helix	trans	-66.9	-44.9	177.3	-70.7	179.8	0	0	0	110.9	E493 I699 F705 L706 Y707 V717 F718 L721	E493-I703 HydrophobicContact CB-CD1 3.8Å; E493-I703 HydrophobicContact CG-CD1 4.05Å; I699-I703 HydrophobicContact CG2-CD1 3.74Å; I699-I703 HydrophobicContact CG2-CG1 4.41Å; I699-I703 WeakPolarHBondContact O-CB 3.33Å; I699-I703 WeakPolarHBondContact O-CG1 3.39Å; I699-I703 PolarHBondContact O-N 3.27Å; I703-F705 VanDerWaalsContact C-N 3.34Å; I703-F705 PolarHBondContact O-N 3.06Å; I703-L706 PolarHBondContact O-N 3.07Å; I703-L706 VanDerWaalsContact O-N 3.11Å; I703-Y707 HydrophobicContact CG2-CD2 3.88Å; I703-Y707 HydrophobicContact CG2-CE2 3.74Å; I703-Y707 VanDerWaalsContact O-CD2 3.29Å; I703-Y707 WeakPolarHBondContact O-CD2 3.48Å; I703-Y707 PolarHBondContact O-N 2.61Å; I703-V717 HydrophobicContact CG2-CG1 4.11Å; I703-F718 HydrophobicContact CB-CE1 4.38Å; I703-F718 HydrophobicContact CB-CZ 4.46Å; I703-F718 HydrophobicContact CG2-CE1 4.06Å; I703-F718 HydrophobicContact CG2-CZ 4.01Å; I703-L721 HydrophobicContact CD1-CD1 3.94Å; I703-L721 HydrophobicContact CD1-CD2 4.36Å; I703-L721 HydrophobicContact CG2-CD1 4.45Å
704	K	94.1	Very high	88.3	Confident	96 Å²	96	46 Å²	46	42%	0.417	25%	0.253	S	S	.	.	H	α-helix	trans	-56	-50.1	179.2	-179.2	178.1	167.6	-178.9	0	111.3	T700 A701 L706 Y707 E708 F718	T700-K704 WeakPolarHBondContact O-CB 3.49Å; T700-K704 PolarHBondContact O-N 3.38Å; A701-K704 PolarHBondContact O-N 3.35Å; K704-L706 VanDerWaalsContact C-N 3.31Å; K704-L706 PolarHBondContact O-N 2.69Å; K704-Y707 PolarHBondContact O-N 2.99Å; K704-Y707 VanDerWaalsContact O-N 3.12Å; K704-E708 WeakPolarHBondContact CE-OE1 3.41Å; K704-E708 VanDerWaalsContact CE-OE2 3.29Å; K704-E708 WeakPolarHBondContact CE-OE2 3.4Å; K704-E708 HydrophobicContact CG-CG 4.34Å; K704-E708 IonicContact NZ-OE1 3.18Å; K704-E708 PolarHBondContact NZ-OE1 3.47Å; K704-E708 WeakPolarHBondContact O-CG 3.06Å; K704-E708 PolarHBondContact O-N 2.62Å; K704-F718 HydrophobicContact CB-CE2 4.21Å; K704-F718 HydrophobicContact CB-CZ 3.75Å
705	F	97	Very high	89.3	Confident	7 Å²	7	48.6 Å²	48.6	3%	0.031	27%	0.271	C	S	.	.	H	α-helix	trans	-54.3	-45.8	175.9	166	-101.3	0	0	0	112.2	A578 V579 T580 H638 N679 I681 A701 I703 Y707 E708 E709	A578-F705 HydrophobicContact CB-CE1 4.04Å; A578-F705 HydrophobicContact CB-CZ 4.2Å; V579-F705 WeakPolarHBondContact O-CE1 3.2Å; T580-F705 HydrophobicContact CG2-CD1 3.91Å; T580-F705 HydrophobicContact CG2-CE1 4.24Å; H638-F705 HydrophobicContact CB-CD1 3.48Å; H638-F705 VanDerWaalsContact CB-CD1 3.48Å; H638-F705 HydrophobicContact CB-CD2 4.04Å; H638-F705 HydrophobicContact CB-CE1 3.52Å; H638-F705 HydrophobicContact CB-CE2 4.07Å; H638-F705 HydrophobicContact CB-CG 3.75Å; H638-F705 HydrophobicContact CB-CZ 3.82Å; N679-F705 HydrophobicContact CB-CE2 4.43Å; I681-F705 HydrophobicContact CD1-CD2 3.8Å; I681-F705 HydrophobicContact CD1-CE2 4.24Å; A701-F705 WeakPolarHBondContact O-CB 3.39Å; A701-F705 PolarHBondContact O-N 2.59Å; I703-F705 VanDerWaalsContact C-N 3.34Å; I703-F705 PolarHBondContact O-N 3.06Å; F705-Y707 VanDerWaalsContact C-N 3.33Å; F705-Y707 PolarHBondContact O-N 3.28Å; F705-E708 PolarHBondContact O-N 3.14Å; F705-E709 HydrophobicContact CD2-CG 3.98Å; F705-E709 HydrophobicContact CE1-CG 4.44Å; F705-E709 HydrophobicContact CE2-CG 3.61Å; F705-E709 HydrophobicContact CZ-CG 3.86Å; F705-E709 WeakPolarHBondContact O-CB 3.35Å; F705-E709 WeakPolarHBondContact O-CG 3.42Å; F705-E709 PolarHBondContact O-N 2.79Å
706	L	97.5	Very high	89.9	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.031	27%	0.272	C	S	.	.	H	α-helix	trans	-63.4	-34.8	178.6	-70.2	174.9	0	0	0	113	L475 W502 T554 A578 T580 Q702 I703 K704 L710	L475-L706 HydrophobicContact CD1-CD1 4.07Å; W502-L706 HydrophobicContact CH2-CB 4.08Å; T554-L706 HydrophobicContact CG2-CD2 3.9Å; A578-L706 HydrophobicContact CB-CD2 4.19Å; T580-L706 HydrophobicContact CG2-CD1 4.1Å; T580-L706 HydrophobicContact CG2-CD2 4.03Å; T580-L706 HydrophobicContact CG2-CG 3.91Å; Q702-L706 WeakPolarHBondContact O-CG 3.03Å; Q702-L706 PolarHBondContact O-N 3.46Å; I703-L706 PolarHBondContact O-N 3.07Å; I703-L706 VanDerWaalsContact O-N 3.11Å; K704-L706 VanDerWaalsContact C-N 3.31Å; K704-L706 PolarHBondContact O-N 2.69Å; L706-L710 VanDerWaalsContact O-CG 3.3Å; L706-L710 WeakPolarHBondContact O-CG 3.39Å; L706-L710 PolarHBondContact O-N 2.71Å
707	Y	97.1	Very high	90.5	Very high	1 Å²	1	45.5 Å²	45.5	0%	0.004	26%	0.257	C	S	.	.	H	α-helix	trans	-74.8	-42.1	176.6	-82.6	-114.9	0	0	0	112	L497 D500 W502 I703 K704 F705 E709 L710 G711 L712 D713 V717	L497-Y707 HydrophobicContact CD2-CE2 3.73Å; L497-Y707 WeakPolarHBondContact CD2-OH 3.34Å; D500-Y707 PolarHBondContact OD2-OH 3.39Å; W502-Y707 AromaticContact CE2-CE2 3.68Å; W502-Y707 AromaticContact CE2-CZ 3.73Å; W502-Y707 HydrophobicContact CH2-CD2 4.45Å; W502-Y707 HydrophobicContact CH2-CE2 4.32Å; W502-Y707 AromaticContact CZ2-CD2 3.7Å; W502-Y707 HydrophobicContact CZ2-CD2 3.7Å; W502-Y707 HydrophobicContact CZ2-CE1 4.43Å; W502-Y707 AromaticContact CZ2-CE2 3.35Å; W502-Y707 HydrophobicContact CZ2-CE2 3.35Å; W502-Y707 HydrophobicContact CZ2-CG 4.38Å; W502-Y707 AromaticContact CZ2-CZ 3.77Å; W502-Y707 AromaticContact NE1-CE1 3.98Å; W502-Y707 AromaticContact NE1-CE2 3.72Å; W502-Y707 AromaticContact NE1-CZ 3.26Å; W502-Y707 VanDerWaalsContact NE1-CZ 3.26Å; W502-Y707 PolarHBondContact NE1-OH 2.64Å; I703-Y707 HydrophobicContact CG2-CD2 3.88Å; I703-Y707 HydrophobicContact CG2-CE2 3.74Å; I703-Y707 VanDerWaalsContact O-CD2 3.29Å; I703-Y707 WeakPolarHBondContact O-CD2 3.48Å; I703-Y707 PolarHBondContact O-N 2.61Å; K704-Y707 PolarHBondContact O-N 2.99Å; K704-Y707 VanDerWaalsContact O-N 3.12Å; F705-Y707 VanDerWaalsContact C-N 3.33Å; F705-Y707 PolarHBondContact O-N 3.28Å; Y707-E709 PolarHBondContact O-N 2.8Å; Y707-L710 PolarHBondContact O-N 2.69Å; Y707-G711 PolarHBondContact O-N 3.15Å; Y707-L712 HydrophobicContact CD1-CB 3.59Å; Y707-L712 HydrophobicContact CD1-CD1 4.37Å; Y707-L712 HydrophobicContact CE1-CB 4.27Å; Y707-L712 HydrophobicContact CG-CB 4.22Å; Y707-L712 PolarHBondContact O-N 3.2Å; Y707-D713 VanDerWaalsContact CD1-O 3.28Å; Y707-D713 WeakPolarHBondContact CD1-O 3.14Å; Y707-D713 WeakPolarHBondContact CE1-O 3.1Å; Y707-V717 HydrophobicContact CE1-CB 4.35Å; Y707-V717 HydrophobicContact CE1-CG2 3.91Å; Y707-V717 HydrophobicContact CE2-CG1 4.33Å; Y707-V717 WeakPolarHBondContact OH-CG2 3.36Å
708	E	96.4	Very high	90.8	Very high	117 Å²	117	39.1 Å²	39.1	55%	0.547	23%	0.229	S	C	.	.	H	α-helix	trans	-61.9	-42.3	177.4	-71.9	178.5	145.5	0	0	111.5	K704 F705 L710 G711	K704-E708 WeakPolarHBondContact CE-OE1 3.41Å; K704-E708 VanDerWaalsContact CE-OE2 3.29Å; K704-E708 WeakPolarHBondContact CE-OE2 3.4Å; K704-E708 HydrophobicContact CG-CG 4.34Å; K704-E708 IonicContact NZ-OE1 3.18Å; K704-E708 PolarHBondContact NZ-OE1 3.47Å; K704-E708 WeakPolarHBondContact O-CG 3.06Å; K704-E708 PolarHBondContact O-N 2.62Å; F705-E708 PolarHBondContact O-N 3.14Å; E708-L710 PolarHBondContact O-N 2.91Å; E708-G711 PolarHBondContact O-N 2.98Å
709	E	97.1	Very high	90.7	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.056	25%	0.249	C	C	.	.	H	α-helix	trans	-69.3	-29.4	178	-71.5	-57.1	139.9	0	0	114.3	R577 A578 S636 N679 F705 Y707	R577-E709 PolarHBondContact NE-O 3.18Å; R577-E709 PolarHBondContact NH2-O 3.38Å; R577-E709 IonicContact NH2-OE2 2.71Å; A578-E709 HydrophobicContact CB-CB 3.71Å; A578-E709 HydrophobicContact CB-CG 3.96Å; S636-E709 WeakPolarHBondContact CB-OE2 3.49Å; S636-E709 PolarHBondContact OG-OE2 3.16Å; N679-E709 WeakPolarHBondContact CB-OE1 3.45Å; N679-E709 PolarHBondContact ND2-OE1 2.78Å; F705-E709 HydrophobicContact CD2-CG 3.98Å; F705-E709 HydrophobicContact CE1-CG 4.44Å; F705-E709 HydrophobicContact CE2-CG 3.61Å; F705-E709 HydrophobicContact CZ-CG 3.86Å; F705-E709 WeakPolarHBondContact O-CB 3.35Å; F705-E709 WeakPolarHBondContact O-CG 3.42Å; F705-E709 PolarHBondContact O-N 2.79Å; Y707-E709 PolarHBondContact O-N 2.8Å
710	L	97	Very high	90.6	Very high	19 Å²	19	45.5 Å²	45.5	10%	0.099	26%	0.261	C	S	.	.	H	α-helix	trans	-87.7	-7.9	174.6	-64.9	-164.2	0	0	0	113.6	P473 W502 T554 R577 L706 Y707 E708 L712	P473-L710 HydrophobicContact CB-CD1 3.48Å; P473-L710 VanDerWaalsContact CB-CD1 3.48Å; W502-L710 HydrophobicContact CH2-CD1 3.61Å; W502-L710 HydrophobicContact CZ2-CD1 4.16Å; W502-L710 HydrophobicContact CZ3-CD1 4.16Å; T554-L710 HydrophobicContact CG2-CD1 4.03Å; T554-L710 HydrophobicContact CG2-CD2 3.78Å; T554-L710 HydrophobicContact CG2-CG 4.03Å; R577-L710 HydrophobicContact CB-CD2 3.84Å; R577-L710 HydrophobicContact CG-CD2 3.46Å; R577-L710 VanDerWaalsContact CG-CD2 3.46Å; L706-L710 VanDerWaalsContact O-CG 3.3Å; L706-L710 WeakPolarHBondContact O-CG 3.39Å; L706-L710 PolarHBondContact O-N 2.71Å; Y707-L710 PolarHBondContact O-N 2.69Å; E708-L710 PolarHBondContact O-N 2.91Å; L710-L712 HydrophobicContact CB-CD1 3.81Å; L710-L712 HydrophobicContact CB-CG 3.81Å; L710-L712 HydrophobicContact CD1-CD1 3.98Å
711	G	95.1	Very high	90.2	Very high	69 Å²	69	43.7 Å²	43.7	71%	0.711	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.9	33.4	-177.1	0	0	0	0	0	113.9	Y707 E708	Y707-G711 PolarHBondContact O-N 3.15Å; E708-G711 PolarHBondContact O-N 2.98Å
712	L	94.4	Very high	89.6	Confident	61 Å²	61	46.3 Å²	46.3	32%	0.319	25%	0.254	S	S	.	.			trans	-99.8	147.5	-177.1	-60.6	175.1	0	0	0	111.7	P473 W502 Y707 L710	P473-L712 HydrophobicContact CB-CD1 4.02Å; P473-L712 HydrophobicContact CG-CD1 3.96Å; W502-L712 HydrophobicContact CZ2-CD1 3.79Å; Y707-L712 HydrophobicContact CD1-CB 3.59Å; Y707-L712 HydrophobicContact CD1-CD1 4.37Å; Y707-L712 HydrophobicContact CE1-CB 4.27Å; Y707-L712 HydrophobicContact CG-CB 4.22Å; Y707-L712 PolarHBondContact O-N 3.2Å; L710-L712 HydrophobicContact CB-CD1 3.81Å; L710-L712 HydrophobicContact CB-CG 3.81Å; L710-L712 HydrophobicContact CD1-CD1 3.98Å
713	D	89.8	Confident	88.7	Confident	114 Å²	114	52.2 Å²	52.2	61%	0.61	28%	0.279	S	S	*	.			trans	-71.5	131.1	166	-176.2	9.3	0	0	0	109.5	Y707 T715	Y707-D713 VanDerWaalsContact CD1-O 3.28Å; Y707-D713 WeakPolarHBondContact CD1-O 3.14Å; Y707-D713 WeakPolarHBondContact CE1-O 3.1Å; D713-T715 VanDerWaalsContact OD1-CB 3.25Å; D713-T715 WeakPolarHBondContact OD1-CB 3.38Å; D713-T715 PolarHBondContact OD1-N 2.9Å; D713-T715 PolarHBondContact OD1-OG1 2.76Å
714	S	87.4	Confident	87.4	Confident	23 Å²	23	55.3 Å²	55.3	16%	0.161	29%	0.291	C	S	.	.			trans	-110.1	1.7	-179.6	52.2	0	0	0	0	113.4	S716 V717 F718	S714-S716 PolarHBondContact O-N 3.24Å; S714-V717 PolarHBondContact O-N 2.72Å; S714-F718 VanDerWaalsContact CB-CE2 3.49Å; S714-F718 VanDerWaalsContact O-CD2 3.25Å; S714-F718 WeakPolarHBondContact O-CD2 3.45Å; S714-F718 PolarHBondContact O-N 3.02Å; S714-F718 WeakPolarHBondContact OG-CE2 3.42Å
715	T	82.8	Confident	85.9	Confident	89 Å²	89	51.3 Å²	51.3	55%	0.546	27%	0.274	S	S	.	.	H	α-helix	trans	-61.5	-44.2	-174.4	-51.5	0	0	0	0	112.2	D713 E719	D713-T715 VanDerWaalsContact OD1-CB 3.25Å; D713-T715 WeakPolarHBondContact OD1-CB 3.38Å; D713-T715 PolarHBondContact OD1-N 2.9Å; D713-T715 PolarHBondContact OD1-OG1 2.76Å; T715-E719 PolarHBondContact O-N 3.46Å
716	S	81	Confident	83.8	Confident	51 Å²	51	55 Å²	55	36%	0.357	29%	0.29	S	S	.	.	H	α-helix	trans	-57.1	-51	173.6	45	0	0	0	0	111.7	D500 S714 F718 E719 D720	D500-S716 PolarHBondContact OD1-OG 2.91Å; S714-S716 PolarHBondContact O-N 3.24Å; S716-F718 PolarHBondContact O-N 3.41Å; S716-E719 PolarHBondContact O-N 2.79Å; S716-E719 VanDerWaalsContact O-N 3.15Å; S716-D720 PolarHBondContact O-N 3.37Å
717	V	85.6	Confident	80.7	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-66.5	-37.2	-170.7	165.3	0	0	0	0	112	V496 D500 I703 Y707 S714 D720 L721	V496-V717 HydrophobicContact CG1-CB 4.4Å; V496-V717 HydrophobicContact CG1-CG1 4.03Å; V496-V717 HydrophobicContact CG1-CG2 4.42Å; D500-V717 HydrophobicContact CB-CG2 3.67Å; D500-V717 VanDerWaalsContact CG-CG2 3.43Å; D500-V717 WeakPolarHBondContact OD1-CG2 3.41Å; I703-V717 HydrophobicContact CG2-CG1 4.11Å; Y707-V717 HydrophobicContact CE1-CB 4.35Å; Y707-V717 HydrophobicContact CE1-CG2 3.91Å; Y707-V717 HydrophobicContact CE2-CG1 4.33Å; Y707-V717 WeakPolarHBondContact OH-CG2 3.36Å; S714-V717 PolarHBondContact O-N 2.72Å; V717-D720 PolarHBondContact O-N 3.31Å; V717-L721 HydrophobicContact CG1-CD1 3.9Å; V717-L721 HydrophobicContact CG1-CG 4.41Å; V717-L721 WeakPolarHBondContact O-CB 3.45Å; V717-L721 WeakPolarHBondContact O-CG 3.44Å; V717-L721 PolarHBondContact O-N 3.49Å
718	F	84.9	Confident	79.9	Confident	39 Å²	39	66.5 Å²	66.5	17%	0.171	34%	0.342	C	S	.	.	H	α-helix	trans	-72.8	-31.4	173.9	-68.4	-55.3	0	0	0	113.5	T700 I703 K704 S714 S716 L721 K722	T700-F718 HydrophobicContact CG2-CD1 4.15Å; T700-F718 HydrophobicContact CG2-CE1 3.74Å; T700-F718 HydrophobicContact CG2-CZ 4.29Å; I703-F718 HydrophobicContact CB-CE1 4.38Å; I703-F718 HydrophobicContact CB-CZ 4.46Å; I703-F718 HydrophobicContact CG2-CE1 4.06Å; I703-F718 HydrophobicContact CG2-CZ 4.01Å; K704-F718 HydrophobicContact CB-CE2 4.21Å; K704-F718 HydrophobicContact CB-CZ 3.75Å; S714-F718 VanDerWaalsContact CB-CE2 3.49Å; S714-F718 VanDerWaalsContact O-CD2 3.25Å; S714-F718 WeakPolarHBondContact O-CD2 3.45Å; S714-F718 PolarHBondContact O-N 3.02Å; S714-F718 WeakPolarHBondContact OG-CE2 3.42Å; S716-F718 PolarHBondContact O-N 3.41Å; F718-L721 HydrophobicContact CD1-CD1 3.67Å; F718-L721 HydrophobicContact CE1-CD1 3.86Å; F718-K722 VanDerWaalsContact O-CG 3.29Å; F718-K722 WeakPolarHBondContact O-CG 3.44Å; F718-K722 PolarHBondContact O-N 3.17Å
719	E	82.3	Confident	79.1	Confident	95 Å²	95	63.8 Å²	63.8	44%	0.444	33%	0.331	S	S	.	.	H	α-helix	trans	-72.9	-28.3	170.9	-62.3	-51	142.5	0	0	112.9	T715 S716 K722 K723	T715-E719 PolarHBondContact O-N 3.46Å; S716-E719 PolarHBondContact O-N 2.79Å; S716-E719 VanDerWaalsContact O-N 3.15Å; E719-K722 IonicContact OE1-NZ 2.69Å; E719-K722 PolarHBondContact OE1-NZ 3.33Å; E719-K722 WeakPolarHBondContact OE2-CD 3.32Å; E719-K722 IonicContact OE2-NZ 3.45Å; E719-K722 PolarHBondContact OE2-NZ 2.91Å; E719-K723 VanDerWaalsContact O-CE 3.26Å; E719-K723 WeakPolarHBondContact O-CE 3.38Å
720	D	81.1	Confident	78.1	Confident	54 Å²	54	66.7 Å²	66.7	29%	0.289	35%	0.347	S	S	.	.	H	α-helix	trans	-76.6	-40.2	171.6	-81.2	-36.8	0	0	0	112.5	V496 S716 V717 K722 K723 Y724	V496-D720 HydrophobicContact CG1-CB 3.68Å; V496-D720 HydrophobicContact CG2-CB 4.29Å; S716-D720 PolarHBondContact O-N 3.37Å; V717-D720 PolarHBondContact O-N 3.31Å; D720-K722 VanDerWaalsContact C-N 3.33Å; D720-K722 PolarHBondContact O-N 3.44Å; D720-K723 WeakPolarHBondContact O-CB 3.47Å; D720-K723 PolarHBondContact O-N 3.01Å; D720-K723 IonicContact OD1-NZ 3.55Å; D720-K723 PolarHBondContact OD1-NZ 3.43Å; D720-Y724 VanDerWaalsContact O-CD2 3.32Å; D720-Y724 WeakPolarHBondContact O-CD2 3.37Å
721	L	80.1	Confident	76.9	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.005	36%	0.361	C	S	.	.	H	α-helix	trans	-57.4	-43.4	175.1	-77.8	165.4	0	0	0	111.9	E493 V496 I703 V717 F718 K723 Y724 L725	E493-L721 HydrophobicContact CB-CD2 3.55Å; V496-L721 HydrophobicContact CB-CD2 4.13Å; V496-L721 HydrophobicContact CB-CG 4.34Å; V496-L721 HydrophobicContact CG1-CG 4.2Å; V496-L721 HydrophobicContact CG2-CD2 4Å; V496-L721 HydrophobicContact CG2-CG 4.29Å; I703-L721 HydrophobicContact CD1-CD1 3.94Å; I703-L721 HydrophobicContact CD1-CD2 4.36Å; I703-L721 HydrophobicContact CG2-CD1 4.45Å; V717-L721 HydrophobicContact CG1-CD1 3.9Å; V717-L721 HydrophobicContact CG1-CG 4.41Å; V717-L721 WeakPolarHBondContact O-CB 3.45Å; V717-L721 WeakPolarHBondContact O-CG 3.44Å; V717-L721 PolarHBondContact O-N 3.49Å; F718-L721 HydrophobicContact CD1-CD1 3.67Å; F718-L721 HydrophobicContact CE1-CD1 3.86Å; L721-K723 PolarHBondContact O-N 3.43Å; L721-K723 VanDerWaalsContact O-N 3.1Å; L721-Y724 PolarHBondContact O-N 3.46Å; L721-L725 HydrophobicContact CD2-CD1 3.98Å; L721-L725 WeakPolarHBondContact O-CB 3.47Å; L721-L725 PolarHBondContact O-N 3.4Å
722	K	76.3	Confident	75.8	Confident	93 Å²	93	69.5 Å²	69.5	40%	0.404	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-25.4	175.5	-73	171.1	-163.4	175	0	114.4	F718 E719 D720 Y724 F727	F718-K722 VanDerWaalsContact O-CG 3.29Å; F718-K722 WeakPolarHBondContact O-CG 3.44Å; F718-K722 PolarHBondContact O-N 3.17Å; E719-K722 IonicContact OE1-NZ 2.69Å; E719-K722 PolarHBondContact OE1-NZ 3.33Å; E719-K722 WeakPolarHBondContact OE2-CD 3.32Å; E719-K722 IonicContact OE2-NZ 3.45Å; E719-K722 PolarHBondContact OE2-NZ 2.91Å; D720-K722 VanDerWaalsContact C-N 3.33Å; D720-K722 PolarHBondContact O-N 3.44Å; K722-Y724 VanDerWaalsContact C-N 3.31Å; K722-F727 HydrophobicContact CB-CD2 4.37Å; K722-F727 HydrophobicContact CG-CD2 3.72Å; K722-F727 HydrophobicContact CG-CE2 3.77Å
723	K	72.7	Confident	74.6	Confident	140 Å²	140	70.1 Å²	70.1	61%	0.609	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-19.4	179.1	-60.1	166.8	-168.1	163.4	0	112.6	E719 D720 L721	E719-K723 VanDerWaalsContact O-CE 3.26Å; E719-K723 WeakPolarHBondContact O-CE 3.38Å; D720-K723 WeakPolarHBondContact O-CB 3.47Å; D720-K723 PolarHBondContact O-N 3.01Å; D720-K723 IonicContact OD1-NZ 3.55Å; D720-K723 PolarHBondContact OD1-NZ 3.43Å; L721-K723 PolarHBondContact O-N 3.43Å; L721-K723 VanDerWaalsContact O-N 3.1Å
724	Y	66	Low	73.5	Confident	75 Å²	75	66.9 Å²	66.9	29%	0.294	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.1	-29.8	-179.9	-63.7	-77.9	0	0	0	113.2	Y108 P492 R495 V496 D720 L721 K722	Y108-Y724 VanDerWaalsContact OH-C 3.29Å; Y108-Y724 PolarHBondContact OH-O 2.72Å; P492-Y724 HydrophobicContact CB-CD1 4.48Å; P492-Y724 HydrophobicContact CB-CG 4.15Å; R495-Y724 PolarHBondContact NE-OH 3.11Å; V496-Y724 HydrophobicContact CG2-CD2 3.55Å; V496-Y724 HydrophobicContact CG2-CE2 3.68Å; D720-Y724 VanDerWaalsContact O-CD2 3.32Å; D720-Y724 WeakPolarHBondContact O-CD2 3.37Å; L721-Y724 PolarHBondContact O-N 3.46Å; K722-Y724 VanDerWaalsContact C-N 3.31Å
725	L	62.4	Low	72.4	Confident	11 Å²	11	70.3 Å²	70.3	6%	0.058	33%	0.334	C	S	.	.	S	Bend	trans	-113.1	80.5	179	-55.7	178.4	0	0	0	107.7	P492 I699 L721 F727	P492-L725 HydrophobicContact CB-CD2 4.33Å; P492-L725 HydrophobicContact CG-CD2 4.19Å; I699-L725 HydrophobicContact CD1-CD1 3.92Å; I699-L725 HydrophobicContact CD1-CD2 4.47Å; I699-L725 HydrophobicContact CG2-CD1 4.18Å; L721-L725 HydrophobicContact CD2-CD1 3.98Å; L721-L725 WeakPolarHBondContact O-CB 3.47Å; L721-L725 PolarHBondContact O-N 3.4Å; L725-F727 WeakPolarHBondContact O-CD2 3.32Å; L725-F727 PolarHBondContact O-N 3.39Å
726	K	52.4	Low	71.5	Confident	84 Å²	84	68.8 Å²	68.8	37%	0.365	32%	0.316	S	S	.	.			trans	-54.6	132	179.5	-70.8	-180	-139.1	169.1	0	109.3	E106 Y108 H696	E106-K726 PolarHBondContact O-NZ 2.67Å; E106-K726 IonicContact OE2-NZ 3.57Å; E106-K726 PolarHBondContact OE2-NZ 3.02Å; Y108-K726 HydrophobicContact CE2-CB 3.82Å; Y108-K726 HydrophobicContact CE2-CD 3.62Å; Y108-K726 VanDerWaalsContact CE2-CE 3.4Å; Y108-K726 HydrophobicContact CE2-CG 3.68Å; Y108-K726 WeakPolarHBondContact OH-CG 3.4Å; Y108-K726 PolarHBondContact OH-N 3Å; Y108-K726 VanDerWaalsContact OH-N 3.11Å; H696-K726 PolarHBondContact CE1-O 2.76Å; H696-K726 PolarHBondContact ND1-O 2.78Å
727	F	33.8	Very low	70.7	Confident	182 Å²	182	70.4 Å²	70.4	80%	0.798	31%	0.312	S	S	*	.			trans	-99.8	0	-179	-84.7	-96.2	0	0	0	111.5	H696 K722 L725	H696-F727 HydrophobicContact CB-CE1 4.17Å; H696-F727 HydrophobicContact CB-CZ 4.25Å; K722-F727 HydrophobicContact CB-CD2 4.37Å; K722-F727 HydrophobicContact CG-CD2 3.72Å; K722-F727 HydrophobicContact CG-CE2 3.77Å; L725-F727 WeakPolarHBondContact O-CD2 3.32Å; L725-F727 PolarHBondContact O-N 3.39Å

Retrieved 727 of 727 residues in 209.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).