A0A087XAS3_POEFO Loading...

Creatine kinase U-type, mitochondrial

Reversibly catalyzes the transfer of phosphate between ATP and various phosphogens (e.g. creatine phosphate). Creatine kinase isoenzymes play a central role in energy transduction in tissues with large, fluctuating energy demands, such as skeletal muscle, heart, brain and spermatozoa.

AlphaFold DB , UniProt , Accession A0A087XAS3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 415 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	29.1	Very low	248 Å²	248	146.7 Å²	146.7	100%	1.222	82%	0.818	S	S	*	*				0	97.8	0	-68.9	-145.5	-75.9	0	0	107.9
2	A	29.4	Very low	29.6	Very low	106 Å²	106	149.5 Å²	149.5	88%	0.876	82%	0.815	S	S	*	*			trans	-91.7	134.8	174.1	0	0	0	0	0	108.2
3	S	27.9	Very low	30.6	Very low	101 Å²	101	152.2 Å²	152.2	71%	0.706	81%	0.806	S	S	*	*			trans	-131.4	109.7	171.6	173.9	0	0	0	0	108.3
4	S	28.4	Very low	30.8	Very low	100 Å²	100	153.1 Å²	153.1	70%	0.699	81%	0.812	S	S	*	*			trans	-72.8	133.9	173	-55.1	0	0	0	0	110.2
5	F	28.4	Very low	31.2	Very low	208 Å²	208	149.8 Å²	149.8	91%	0.912	80%	0.799	S	S	*	*			trans	-120.3	106.7	155.6	-92.6	-84.3	0	0	0	109.2
6	T	27.8	Very low	31.4	Very low	108 Å²	108	143.5 Å²	143.5	66%	0.663	78%	0.781	S	S	*	*			trans	-114.3	132.8	-179.7	-60.2	0	0	0	0	108.4
7	R	27.4	Very low	31.6	Very low	211 Å²	211	143.3 Å²	143.3	80%	0.796	78%	0.777	S	S	*	*			trans	66.1	123.4	155.6	-75.9	171.6	-169.7	-173	1.1	119.7
8	I	24.5	Very low	31.8	Very low	167 Å²	167	143.2 Å²	143.2	86%	0.856	78%	0.775	S	S	*	*				-133	98.9	111.8	-58.8	-176.9	0	0	0	107.8
9	L	28	Very low	31.8	Very low	162 Å²	162	141.1 Å²	141.1	85%	0.848	77%	0.772	S	S	*	*			trans	-103.4	103.8	160.4	-90.3	162.6	0	0	0	105.8
10	S	29	Very low	32	Very low	108 Å²	108	141 Å²	141	76%	0.755	77%	0.77	S	S	*	*			trans	-96.7	95.7	168.3	159.3	0	0	0	0	107.6
11	S	31.1	Very low	32.1	Very low	95 Å²	95	141.7 Å²	141.7	66%	0.664	78%	0.779	S	S	*	*			trans	-129.3	116.3	151.5	78	0	0	0	0	107.6	R13	S11-R13 VanDerWaalsContact C-N 3.26Å; S11-R13 PolarHBondContact O-N 3.21Å
12	K	34.5	Very low	32.1	Very low	180 Å²	180	132.4 Å²	132.4	78%	0.783	75%	0.746	S	S	*	*			trans	-65.5	85.6	170.6	-70.5	180	176	-180	0	109.6
13	R	42.7	Very low	32.3	Very low	184 Å²	184	131.8 Å²	131.8	69%	0.694	75%	0.75	S	S	*	*			trans	-147	107.9	158.7	-79.3	-170.5	172.4	168	-2.1	106.3	S11 V15	S11-R13 VanDerWaalsContact C-N 3.26Å; S11-R13 PolarHBondContact O-N 3.21Å; R13-V15 VanDerWaalsContact C-N 3.25Å; R13-V15 PolarHBondContact O-N 3.45Å
14	N	34	Very low	32.5	Very low	166 Å²	166	131.4 Å²	131.4	89%	0.888	75%	0.747	S	S	*	*			trans	-70.4	86.3	172.1	-80.7	-20.6	0	0	0	108.8	G16	N14-G16 PolarHBondContact O-N 2.87Å
15	V	36.1	Very low	32.8	Very low	103 Å²	103	133.5 Å²	133.5	62%	0.624	76%	0.756	S	S	*	*			trans	-78.6	101.4	166.7	178.7	0	0	0	0	107.3	R13 I17	R13-V15 VanDerWaalsContact C-N 3.25Å; R13-V15 PolarHBondContact O-N 3.45Å; V15-I17 HydrophobicContact CG1-CG1 4.21Å
16	G	35.1	Very low	33.2	Very low	49 Å²	49	127.4 Å²	127.4	51%	0.505	74%	0.744	S	S	.	*			trans	-87.1	104	169.6	0	0	0	0	0	110.1	N14 L18	N14-G16 PolarHBondContact O-N 2.87Å; G16-L18 PolarHBondContact O-N 3.49Å
17	I	35.3	Very low	33.9	Very low	140 Å²	140	126 Å²	126	72%	0.718	74%	0.743	S	S	*	*			trans	-79.6	109.3	168.1	-61.6	176.2	0	0	0	107.3	V15 S19	V15-I17 HydrophobicContact CG1-CG1 4.21Å; I17-S19 PolarHBondContact O-N 2.98Å
18	L	34.1	Very low	34.3	Very low	141 Å²	141	118.6 Å²	118.6	74%	0.738	73%	0.732	S	S	*	*			trans	-87.2	98.7	166.7	-131.3	98.2	0	0	0	108.1	G16 L20	G16-L18 PolarHBondContact O-N 3.49Å; L18-L20 PolarHBondContact O-N 3.46Å
19	S	31.3	Very low	35.3	Very low	104 Å²	104	116.5 Å²	116.5	73%	0.727	72%	0.717	S	S	*	*			trans	-80.7	103.4	169	59.8	0	0	0	0	109.2	I17	I17-S19 PolarHBondContact O-N 2.98Å
20	L	36.8	Very low	35.9	Very low	138 Å²	138	116 Å²	116	72%	0.723	72%	0.715	S	S	*	*			trans	-79.5	124.6	160.7	-85.3	159.7	0	0	0	108.1	L18 G22	L18-L20 PolarHBondContact O-N 3.46Å; L20-G22 PolarHBondContact O-N 3.42Å
21	V	34.5	Very low	36.7	Very low	157 Å²	157	114.5 Å²	114.5	95%	0.952	70%	0.698	S	S	*	*	S	Bend	trans	-65.8	98.3	173.6	178.1	0	0	0	0	107.7
22	G	38.7	Very low	37.2	Very low	52 Å²	52	118 Å²	118	54%	0.536	70%	0.703	S	S	.	*	S	Bend	trans	151.4	75.2	-179.2	0	0	0	0	0	113.1	L20 S24	L20-G22 PolarHBondContact O-N 3.42Å; G22-S24 VanDerWaalsContact C-N 3.26Å; G22-S24 PolarHBondContact O-N 2.81Å; G22-S24 PolarHBondContact O-OG 3.16Å
23	G	33.4	Very low	37.6	Very low	94 Å²	94	118.9 Å²	118.9	97%	0.969	70%	0.702	S	S	*	*	S	Bend	trans	64.7	-11.3	152.2	0	0	0	0	0	121
24	S	32.4	Very low	37.9	Very low	92 Å²	92	116.2 Å²	116.2	64%	0.643	70%	0.697	S	S	*	*			trans	-131.5	111.9	-177.4	19.4	0	0	0	0	111.2	G22 A26	G22-S24 VanDerWaalsContact C-N 3.26Å; G22-S24 PolarHBondContact O-N 2.81Å; G22-S24 PolarHBondContact O-OG 3.16Å; S24-A26 PolarHBondContact O-N 3.37Å
25	V	34.1	Very low	38.7	Very low	145 Å²	145	117 Å²	117	88%	0.879	70%	0.695	S	S	*	*			trans	-80.8	98.3	170.6	-177.6	0	0	0	0	107.8
26	A	35.7	Very low	39.7	Very low	79 Å²	79	114.4 Å²	114.4	65%	0.653	68%	0.679	S	S	*	*			trans	-90.6	108	166	0	0	0	0	0	108.3	S24 G28	S24-A26 PolarHBondContact O-N 3.37Å; A26-G28 PolarHBondContact O-N 2.87Å
27	A	42.2	Very low	40.6	Very low	79 Å²	79	116.9 Å²	116.9	65%	0.653	69%	0.685	S	S	*	*			trans	-77.8	102	169.6	0	0	0	0	0	108.5
28	G	37.6	Very low	42.1	Very low	55 Å²	55	112.5 Å²	112.5	57%	0.567	67%	0.67	S	S	*	*			trans	-86.1	120.7	170.7	0	0	0	0	0	110.5	A26	A26-G28 PolarHBondContact O-N 2.87Å
29	F	45.5	Very low	43.5	Very low	123 Å²	123	107 Å²	107	54%	0.539	65%	0.647	S	S	.	*			trans	-90.4	107.4	170.3	-73.4	-85.8	0	0	0	109.2	L31	F29-L31 PolarHBondContact O-N 3.11Å
30	L	38.8	Very low	45.2	Very low	152 Å²	152	110.6 Å²	110.6	80%	0.796	65%	0.652	S	S	*	*			trans	-77.3	100	166.7	-81.5	164.1	0	0	0	108.5	H32	L30-H32 PolarHBondContact O-N 3.13Å
31	L	46.4	Very low	46.4	Very low	76 Å²	76	108.9 Å²	108.9	40%	0.398	65%	0.65	S	S	.	*			trans	-78.8	97.1	172.8	-65.5	171.5	0	0	0	109.1	F29 R170	F29-L31 PolarHBondContact O-N 3.11Å; L31-R170 HydrophobicContact CD1-CG 4.06Å
32	H	41.4	Very low	47.9	Very low	170 Å²	170	106.2 Å²	106.2	79%	0.787	63%	0.629	S	S	*	*			trans	-82.4	134.3	168	-112.6	23.6	0	0	0	110.1	L30 E34	L30-H32 PolarHBondContact O-N 3.13Å; H32-E34 PolarHBondContact O-N 3.36Å
33	R	44.5	Very low	49.4	Very low	197 Å²	197	115 Å²	115	74%	0.743	65%	0.646	S	S	*	*			trans	-70.1	91.5	168.5	-88.2	-177.4	165.9	176.5	-3.1	108.9
34	E	47.7	Very low	51.4	Low	129 Å²	129	113.3 Å²	113.3	60%	0.603	61%	0.611	S	S	*	*			trans	-81.6	156	165.8	-67.5	-167.5	165.1	0	0	110.5	H32 V36	H32-E34 PolarHBondContact O-N 3.36Å; E34-V36 PolarHBondContact O-N 3.17Å
35	H	50.4	Low	54.1	Low	182 Å²	182	119.6 Å²	119.6	84%	0.843	62%	0.62	S	S	*	*			trans	-58.3	123	168.2	-85.3	-76.8	0	0	0	109.3	T37	H35-T37 PolarHBondContact O-N 3.03Å; H35-T37 VanDerWaalsContact O-N 3.08Å
36	V	57.2	Low	56.9	Low	48 Å²	48	118.9 Å²	118.9	29%	0.291	60%	0.603	S	S	.	*			trans	-69.9	108.2	177.1	179.6	0	0	0	0	108.2	E34 E112 E115 V116	E34-V36 PolarHBondContact O-N 3.17Å; V36-E112 HydrophobicContact CG1-CB 3.83Å; V36-E112 HydrophobicContact CG1-CG 3.7Å; V36-E112 HydrophobicContact CG2-CG 4.27Å; V36-E115 VanDerWaalsContact CB-CD 3.48Å; V36-E115 HydrophobicContact CB-CG 4.35Å; V36-E115 VanDerWaalsContact CB-OE2 3.26Å; V36-E115 WeakPolarHBondContact CB-OE2 3.35Å; V36-E115 HydrophobicContact CG1-CB 4.29Å; V36-E115 HydrophobicContact CG1-CG 4.34Å; V36-E115 WeakPolarHBondContact CG2-OE2 3.37Å; V36-V116 HydrophobicContact CG1-CG2 4.35Å
37	T	55.4	Low	59.7	Low	102 Å²	102	119.2 Å²	119.2	63%	0.626	60%	0.598	S	S	*	*			trans	-106.6	143.6	169	57	0	0	0	0	108.9	H35	H35-T37 PolarHBondContact O-N 3.03Å; H35-T37 VanDerWaalsContact O-N 3.08Å
38	A	65.3	Low	62.2	Low	48 Å²	48	116.4 Å²	116.4	40%	0.397	58%	0.575	S	S	.	*			trans	-52.4	146.3	169.9	0	0	0	0	0	110.6	A78 V116	A38-A78 CarbonylContact C-O 3.6Å; A38-A78 WeakPolarHBondContact CA-O 3.42Å; A38-V116 HydrophobicContact CB-CG1 4.34Å
39	G	64.9	Low	65	Low	26 Å²	26	118.5 Å²	118.5	27%	0.268	58%	0.581	S	S	.	*			trans	-64.2	-177.1	171.4	0	0	0	0	0	112	A78	G39-A78 PolarHBondContact N-O 3.07Å
40	E	66.1	Low	67.4	Low	179 Å²	179	115.8 Å²	115.8	84%	0.836	58%	0.581	S	S	*	*	S	Bend	trans	-56	133.7	176.1	-75.2	-168	160.6	0	0	111	L42	E40-L42 PolarHBondContact O-N 2.74Å
41	P	61.6	Low	70.2	Confident	102 Å²	102	112.7 Å²	112.7	66%	0.662	56%	0.562	S	S	*	*			trans	-61.5	128.5	-178.1	-19.4	29.9	0	0	0	111.4	R43 D76	P41-R43 PolarHBondContact O-N 3.2Å; P41-R43 VanDerWaalsContact O-N 3.11Å; P41-D76 WeakPolarHBondContact CA-O 3.47Å
42	L	67.4	Low	72.6	Confident	100 Å²	100	112.1 Å²	112.1	52%	0.524	56%	0.556	S	S	.	*			trans	-79.1	94.9	170.5	-114	131.3	0	0	0	107.6	E40 R44 D76 A78 T84	E40-L42 PolarHBondContact O-N 2.74Å; L42-R44 PolarHBondContact O-N 3.24Å; L42-D76 PolarHBondContact N-O 2.91Å; L42-A78 HydrophobicContact CD1-CB 4.44Å; L42-T84 HydrophobicContact CD1-CG2 4.25Å
43	R	68.4	Low	75.3	Confident	238 Å²	238	104.9 Å²	104.9	90%	0.898	52%	0.524	S	S	*	.			trans	-66.8	106.6	-179.4	-166.8	175.9	-174.7	-179.8	1.8	110	P41	P41-R43 PolarHBondContact O-N 3.2Å; P41-R43 VanDerWaalsContact O-N 3.11Å
44	R	77.4	Confident	77.9	Confident	57 Å²	57	99.8 Å²	99.8	22%	0.215	51%	0.511	C	S	.	.			trans	-68.9	151.6	177.3	-69.8	-175	-175.3	-125.3	-1.1	112.2	L42 Y71 C75 D76 D86	L42-R44 PolarHBondContact O-N 3.24Å; R44-Y71 PolarHBondContact NH1-OH 3.07Å; R44-C75 VanDerWaalsContact CZ-O 3.32Å; R44-C75 PolarHBondContact NE-O 3.46Å; R44-C75 PolarHBondContact NH2-O 3.39Å; R44-D76 WeakPolarHBondContact CG-OD1 3.45Å; R44-D76 IonicContact NE-OD1 3.77Å; R44-D86 IonicContact CZ-OD2 2.86Å; R44-D86 IonicContact NH1-OD1 2.63Å; R44-D86 IonicContact NH1-OD2 3.64Å; R44-D86 PolarHBondContact NH1-OD2 2.99Å; R44-D86 VanDerWaalsContact NH2-CG 3.27Å; R44-D86 IonicContact NH2-OD1 3.82Å; R44-D86 IonicContact NH2-OD2 3.78Å; R44-D86 PolarHBondContact NH2-OD2 2.87Å
45	R	87.6	Confident	80.3	Confident	225 Å²	225	94.9 Å²	94.9	85%	0.849	49%	0.489	S	S	*	.	S	Bend	trans	-77.8	-32.3	177.3	-172.5	176.4	-177	177.5	0.5	112.6
46	Y	93.3	Very high	82.5	Confident	130 Å²	130	96.2 Å²	96.2	51%	0.51	49%	0.486	S	S	.	.	S	Bend	trans	-111	155.4	-176.3	-67.1	-73.3	0	0	0	111.2
47	P	94.3	Very high	84.4	Confident	86 Å²	86	103 Å²	103	56%	0.558	51%	0.512	S	S	*	.			trans	-62.3	148.2	172.7	27.8	-35.1	0	0	0	110.7	S49 A50	P47-S49 PolarHBondContact O-N 3.2Å; P47-A50 HydrophobicContact CG-CB 4.14Å; P47-A50 WeakPolarHBondContact O-CB 3.49Å; P47-A50 PolarHBondContact O-N 2.89Å
48	A	95	Very high	86.4	Confident	20 Å²	20	100.3 Å²	100.3	17%	0.165	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-53.4	-33.7	-176.7	0	0	0	0	0	114.3	A50 E51 Y52 Y71 A72 C75	A48-A50 VanDerWaalsContact C-N 3.26Å; A48-A50 PolarHBondContact O-N 3.17Å; A48-E51 PolarHBondContact O-N 3.03Å; A48-Y52 PolarHBondContact O-N 2.97Å; A48-Y71 HydrophobicContact CB-CD1 4.26Å; A48-Y71 HydrophobicContact CB-CE1 4.43Å; A48-Y71 WeakPolarHBondContact O-CD1 3.37Å; A48-Y71 VanDerWaalsContact O-CE1 3.26Å; A48-Y71 WeakPolarHBondContact O-CE1 3.45Å; A48-A72 HydrophobicContact CB-CB 3.73Å; A48-C75 VanDerWaalsContact CB-SG 3.54Å
49	S	95.7	Very high	87.9	Confident	99 Å²	99	102.5 Å²	102.5	69%	0.692	50%	0.497	S	S	*	.	G	3₁₀ helix	trans	-66	-26.3	178.2	54.1	0	0	0	0	113.8	P47 E51	P47-S49 PolarHBondContact O-N 3.2Å; S49-E51 VanDerWaalsContact C-N 3.32Å
50	A	96.8	Very high	89.4	Confident	65 Å²	65	101.3 Å²	101.3	54%	0.537	49%	0.485	S	S	.	.	G	3₁₀ helix	trans	-75.1	-24.2	177.7	0	0	0	0	0	112.5	P47 A48	P47-A50 HydrophobicContact CG-CB 4.14Å; P47-A50 WeakPolarHBondContact O-CB 3.49Å; P47-A50 PolarHBondContact O-N 2.89Å; A48-A50 VanDerWaalsContact C-N 3.26Å; A48-A50 PolarHBondContact O-N 3.17Å
51	E	96.7	Very high	90.9	Very high	87 Å²	87	93 Å²	93	41%	0.407	45%	0.446	S	S	.	.	S	Bend	trans	-99.6	-0.8	178.8	-58.8	-70	-179.1	0	0	112.3	A48 S49 Y71	A48-E51 PolarHBondContact O-N 3.03Å; S49-E51 VanDerWaalsContact C-N 3.32Å; E51-Y71 HydrophobicContact CB-CE1 4.1Å; E51-Y71 WeakPolarHBondContact CB-OH 3.4Å; E51-Y71 PolarHBondContact O-OH 3.43Å
52	Y	98.3	Very high	92.7	Very high	65 Å²	65	88.1 Å²	88.1	26%	0.255	42%	0.415	S	S	.	.			trans	-65.5	129.7	-178.8	-169.7	-94.1	0	0	0	110.9	A48 L66 T67 P68 Y71	A48-Y52 PolarHBondContact O-N 2.97Å; Y52-L66 HydrophobicContact CE2-CD2 4.13Å; Y52-L66 HydrophobicContact CE2-CG 4.04Å; Y52-L66 PolarHBondContact OH-O 3.03Å; Y52-T67 VanDerWaalsContact CE2-C 3.47Å; Y52-T67 WeakPolarHBondContact OH-CA 3.31Å; Y52-P68 HydrophobicContact CE1-CG 4.39Å; Y52-P68 HydrophobicContact CE2-CB 4.37Å; Y52-P68 HydrophobicContact CE2-CG 4.16Å; Y52-Y71 AromaticContact CD2-CD1 3.83Å; Y52-Y71 HydrophobicContact CD2-CD1 3.83Å; Y52-Y71 HydrophobicContact CD2-CD2 4.4Å; Y52-Y71 AromaticContact CD2-CG 3.66Å; Y52-Y71 HydrophobicContact CD2-CG 3.66Å; Y52-Y71 HydrophobicContact CE2-CG 4.16Å
53	P	98.1	Very high	94.1	Very high	18 Å²	18	84.3 Å²	84.3	12%	0.117	40%	0.397	C	S	.	.			trans	-70.7	145.1	-174.3	28.3	-35.9	0	0	0	112.7	L55 L66 I89 V93	P53-L55 HydrophobicContact CB-CD1 4.49Å; P53-L55 HydrophobicContact CB-CD2 4.11Å; P53-L55 HydrophobicContact CB-CG 4.07Å; P53-L55 HydrophobicContact CG-CD1 3.9Å; P53-L55 HydrophobicContact CG-CD2 4.36Å; P53-L55 HydrophobicContact CG-CG 4.01Å; P53-L55 PolarHBondContact O-N 3.41Å; P53-L66 HydrophobicContact CG-CD2 3.74Å; P53-I89 HydrophobicContact CG-CD1 4.21Å; P53-V93 HydrophobicContact CB-CG1 4.22Å; P53-V93 HydrophobicContact CB-CG2 3.84Å; P53-V93 HydrophobicContact CG-CG2 4.28Å
54	D	98.3	Very high	95.5	Very high	90 Å²	90	75.9 Å²	75.9	48%	0.481	38%	0.375	S	S	.	.			trans	-78.3	105.5	168.8	-177.9	6.1	0	0	0	110.5	R56 H58	D54-R56 WeakPolarHBondContact OD1-CB 3.37Å; D54-R56 VanDerWaalsContact OD1-CG 3.26Å; D54-R56 WeakPolarHBondContact OD1-CG 3.37Å; D54-R56 IonicContact OD1-CZ 3.64Å; D54-R56 PolarHBondContact OD1-N 3.21Å; D54-R56 IonicContact OD1-NE 3.4Å; D54-R56 PolarHBondContact OD1-NE 2.65Å; D54-R56 IonicContact OD1-NH2 3.61Å; D54-R56 IonicContact OD2-CZ 2.64Å; D54-R56 IonicContact OD2-NE 3.75Å; D54-R56 PolarHBondContact OD2-NE 3Å; D54-R56 IonicContact OD2-NH2 2.88Å; D54-R56 PolarHBondContact OD2-NH2 3.42Å; D54-H58 PolarHBondContact O-CE1 2.85Å
55	L	98.1	Very high	96.6	Very high	25 Å²	25	74.9 Å²	74.9	13%	0.131	37%	0.374	C	S	.	.			trans	-112.3	17.1	-176.1	-59.4	177.7	0	0	0	113.3	P53 K57 H58 M62 A63 L66 V93	P53-L55 HydrophobicContact CB-CD1 4.49Å; P53-L55 HydrophobicContact CB-CD2 4.11Å; P53-L55 HydrophobicContact CB-CG 4.07Å; P53-L55 HydrophobicContact CG-CD1 3.9Å; P53-L55 HydrophobicContact CG-CD2 4.36Å; P53-L55 HydrophobicContact CG-CG 4.01Å; P53-L55 PolarHBondContact O-N 3.41Å; L55-K57 PolarHBondContact O-N 2.91Å; L55-H58 HydrophobicContact CB-CB 4.32Å; L55-H58 HydrophobicContact CD2-CB 4.41Å; L55-H58 PolarHBondContact O-N 3.35Å; L55-H58 VanDerWaalsContact O-N 3.17Å; L55-M62 HydrophobicContact CD1-CE 4.37Å; L55-M62 HydrophobicContact CD1-SD 4.09Å; L55-M62 HydrophobicContact CD2-CE 4.26Å; L55-A63 HydrophobicContact CB-CB 4.23Å; L55-A63 HydrophobicContact CD1-CB 4.02Å; L55-A63 HydrophobicContact CD2-CB 4.45Å; L55-A63 HydrophobicContact CG-CB 4.48Å; L55-L66 HydrophobicContact CD1-CB 4.43Å; L55-L66 HydrophobicContact CD1-CD2 3.91Å; L55-V93 HydrophobicContact CD2-CG2 4.27Å
56	R	97.4	Very high	97.1	Very high	210 Å²	210	64.7 Å²	64.7	79%	0.792	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22	-172	-71.8	176.2	-66.6	172.9	-0.2	114.8	D54	D54-R56 WeakPolarHBondContact OD1-CB 3.37Å; D54-R56 VanDerWaalsContact OD1-CG 3.26Å; D54-R56 WeakPolarHBondContact OD1-CG 3.37Å; D54-R56 IonicContact OD1-CZ 3.64Å; D54-R56 PolarHBondContact OD1-N 3.21Å; D54-R56 IonicContact OD1-NE 3.4Å; D54-R56 PolarHBondContact OD1-NE 2.65Å; D54-R56 IonicContact OD1-NH2 3.61Å; D54-R56 IonicContact OD2-CZ 2.64Å; D54-R56 IonicContact OD2-NE 3.75Å; D54-R56 PolarHBondContact OD2-NE 3Å; D54-R56 IonicContact OD2-NH2 2.88Å; D54-R56 PolarHBondContact OD2-NH2 3.42Å
57	K	96.4	Very high	97.3	Very high	191 Å²	191	61.1 Å²	61.1	83%	0.83	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	20.6	-177.5	-63.7	-176.7	-179.9	178	0	112.6	L55	L55-K57 PolarHBondContact O-N 2.91Å
58	H	97.6	Very high	97.5	Very high	45 Å²	45	61.2 Å²	61.2	21%	0.208	33%	0.329	C	S	.	.			trans	-100.2	139.3	-173.7	-69	56.9	0	0	0	111.9	D54 L55 A63 G92 V93 P96	D54-H58 PolarHBondContact O-CE1 2.85Å; L55-H58 HydrophobicContact CB-CB 4.32Å; L55-H58 HydrophobicContact CD2-CB 4.41Å; L55-H58 PolarHBondContact O-N 3.35Å; L55-H58 VanDerWaalsContact O-N 3.17Å; H58-A63 HydrophobicContact CB-CB 3.67Å; H58-G92 PolarHBondContact CD2-O 2.98Å; H58-V93 PolarHBondContact NE2-O 3.4Å; H58-P96 CarbonylContact C-O 3.54Å; H58-P96 WeakPolarHBondContact CA-O 3.46Å; H58-P96 VanDerWaalsContact CD2-CA 3.46Å; H58-P96 WeakPolarHBondContact CD2-CA 3.43Å
59	N	95.9	Very high	97.7	Very high	95 Å²	95	63.9 Å²	63.9	51%	0.508	35%	0.351	S	S	.	.			trans	-131.1	72.3	177.7	-176.9	23.1	0	0	0	110	P96 K102	N59-P96 PolarHBondContact N-O 2.88Å; N59-K102 WeakPolarHBondContact OD1-CE 3.34Å
60	N	97.1	Very high	97.8	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-139.9	163.1	170.5	61.3	58.1	0	0	0	109.6	M62 A63 S64 G92 N95 T103	N60-M62 VanDerWaalsContact C-N 3.34Å; N60-M62 PolarHBondContact O-N 2.98Å; N60-M62 PolarHBondContact OD1-N 3.27Å; N60-A63 PolarHBondContact O-N 3.21Å; N60-A63 WeakPolarHBondContact OD1-CB 3.48Å; N60-A63 PolarHBondContact OD1-N 3.28Å; N60-S64 PolarHBondContact O-N 3.36Å; N60-S64 VanDerWaalsContact O-N 3.13Å; N60-S64 PolarHBondContact O-OG 3.5Å; N60-G92 PolarHBondContact ND2-O 3.27Å; N60-N95 PolarHBondContact ND2-O 3.39Å; N60-T103 VanDerWaalsContact CA-O 3.32Å; N60-T103 WeakPolarHBondContact CA-O 3.49Å; N60-T103 WeakPolarHBondContact CB-O 3.27Å; N60-T103 WeakPolarHBondContact CB-OG1 3.5Å
61	C	97.8	Very high	97.9	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.027	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-39.8	-175.8	-59.6	0	0	0	0	111.8	A63 S64 N65 T103 V104 V124 E127	C61-A63 PolarHBondContact O-N 2.81Å; C61-S64 WeakPolarHBondContact O-CB 3.43Å; C61-S64 PolarHBondContact O-N 3.29Å; C61-N65 PolarHBondContact O-N 2.9Å; C61-N65 PolarHBondContact O-ND2 2.92Å; C61-T103 PolarHBondContact N-O 2.99Å; C61-V104 PolarHBondContact N-O 3.01Å; C61-V124 HydrophobicContact CB-CG1 3.92Å; C61-E127 PolarHBondContact SG-OE1 3.1Å
62	M	98.6	Very high	97.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-55.4	-52.8	176	179.6	-78.4	-68.5	0	0	111	L55 N60 S64 N65 L66 I89 V93 V104 G105 L106 L120	L55-M62 HydrophobicContact CD1-CE 4.37Å; L55-M62 HydrophobicContact CD1-SD 4.09Å; L55-M62 HydrophobicContact CD2-CE 4.26Å; N60-M62 VanDerWaalsContact C-N 3.34Å; N60-M62 PolarHBondContact O-N 2.98Å; N60-M62 PolarHBondContact OD1-N 3.27Å; M62-S64 PolarHBondContact O-N 3.25Å; M62-N65 PolarHBondContact O-N 2.95Å; M62-L66 WeakPolarHBondContact O-CB 3.32Å; M62-L66 PolarHBondContact O-N 2.88Å; M62-L66 HydrophobicContact SD-CB 4.07Å; M62-L66 HydrophobicContact SD-CD2 3.97Å; M62-I89 HydrophobicContact CE-CB 4.07Å; M62-I89 HydrophobicContact CG-CB 4.03Å; M62-I89 HydrophobicContact CG-CG2 3.73Å; M62-I89 HydrophobicContact SD-CB 4.02Å; M62-I89 HydrophobicContact SD-CG2 4.1Å; M62-V93 HydrophobicContact CE-CG2 4.09Å; M62-V104 WeakPolarHBondContact CB-O 3.42Å; M62-V104 PolarHBondContact N-O 2.75Å; M62-G105 VanDerWaalsContact CB-O 3.3Å; M62-G105 WeakPolarHBondContact CB-O 3.15Å; M62-G105 WeakPolarHBondContact CG-O 3.41Å; M62-L106 HydrophobicContact CB-CB 4.24Å; M62-L106 HydrophobicContact CB-CD2 3.91Å; M62-L106 HydrophobicContact CB-CG 4.24Å; M62-L106 HydrophobicContact CG-CB 4.14Å; M62-L106 HydrophobicContact CG-CD2 3.82Å; M62-L106 HydrophobicContact CG-CG 4.4Å; M62-L120 HydrophobicContact CG-CD2 4.4Å
63	A	98.3	Very high	97.9	Very high	20 Å²	20	58.6 Å²	58.6	17%	0.165	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-27.5	179.9	0	0	0	0	0	113.4	L55 H58 N60 C61 N65	L55-A63 HydrophobicContact CB-CB 4.23Å; L55-A63 HydrophobicContact CD1-CB 4.02Å; L55-A63 HydrophobicContact CD2-CB 4.45Å; L55-A63 HydrophobicContact CG-CB 4.48Å; H58-A63 HydrophobicContact CB-CB 3.67Å; N60-A63 PolarHBondContact O-N 3.21Å; N60-A63 WeakPolarHBondContact OD1-CB 3.48Å; N60-A63 PolarHBondContact OD1-N 3.28Å; C61-A63 PolarHBondContact O-N 2.81Å; A63-N65 VanDerWaalsContact C-N 3.28Å; A63-N65 PolarHBondContact O-N 3.06Å
64	S	97.9	Very high	97.8	Very high	62 Å²	62	57.7 Å²	57.7	43%	0.434	31%	0.309	S	S	.	.	H	α-helix	trans	-72.9	-20.6	176	-54.2	0	0	0	0	112.9	N60 C61 M62 K102 E127	N60-S64 PolarHBondContact O-N 3.36Å; N60-S64 VanDerWaalsContact O-N 3.13Å; N60-S64 PolarHBondContact O-OG 3.5Å; C61-S64 WeakPolarHBondContact O-CB 3.43Å; C61-S64 PolarHBondContact O-N 3.29Å; M62-S64 PolarHBondContact O-N 3.25Å; S64-K102 PolarHBondContact OG-NZ 3.34Å; S64-K102 VanDerWaalsContact OG-NZ 3.08Å; S64-E127 WeakPolarHBondContact CB-OE2 3.3Å
65	N	98.5	Very high	97.7	Very high	35 Å²	35	53.6 Å²	53.6	19%	0.187	29%	0.287	C	S	.	.	H	α-helix	trans	-120.3	-15.8	-172.8	-66.3	-80.4	0	0	0	114.2	C61 M62 A63 I70 L120 P123 V124 E127	C61-N65 PolarHBondContact O-N 2.9Å; C61-N65 PolarHBondContact O-ND2 2.92Å; M62-N65 PolarHBondContact O-N 2.95Å; A63-N65 VanDerWaalsContact C-N 3.28Å; A63-N65 PolarHBondContact O-N 3.06Å; N65-I70 WeakPolarHBondContact O-CD1 3.42Å; N65-L120 HydrophobicContact CB-CD1 4.29Å; N65-P123 HydrophobicContact CB-CB 4.27Å; N65-P123 HydrophobicContact CB-CG 4.28Å; N65-V124 HydrophobicContact CB-CG2 3.91Å; N65-E127 PolarHBondContact ND2-OE2 3.44Å
66	L	98.7	Very high	97.6	Very high	11 Å²	11	55.7 Å²	55.7	6%	0.058	30%	0.298	C	S	.	.			trans	-71.8	132.3	175.1	-170.8	66.3	0	0	0	110.2	Y52 P53 L55 M62 I70 Y71 I89 L120	Y52-L66 HydrophobicContact CE2-CD2 4.13Å; Y52-L66 HydrophobicContact CE2-CG 4.04Å; Y52-L66 PolarHBondContact OH-O 3.03Å; P53-L66 HydrophobicContact CG-CD2 3.74Å; L55-L66 HydrophobicContact CD1-CB 4.43Å; L55-L66 HydrophobicContact CD1-CD2 3.91Å; M62-L66 WeakPolarHBondContact O-CB 3.32Å; M62-L66 PolarHBondContact O-N 2.88Å; M62-L66 HydrophobicContact SD-CB 4.07Å; M62-L66 HydrophobicContact SD-CD2 3.97Å; L66-I70 HydrophobicContact CD1-CG2 4.2Å; L66-Y71 HydrophobicContact CD1-CD2 4.43Å; L66-Y71 HydrophobicContact CD2-CD2 4.45Å; L66-I89 HydrophobicContact CD2-CD1 4.02Å; L66-L120 HydrophobicContact CB-CD1 4.08Å; L66-L120 HydrophobicContact CD1-CD1 3.99Å; L66-L120 HydrophobicContact CD1-CD2 3.96Å
67	T	98.6	Very high	97.5	Very high	56 Å²	56	49 Å²	49	34%	0.344	28%	0.275	S	S	.	.			trans	-129.6	157.2	174.8	65.5	0	0	0	0	110	Y52 A69 I70 Y71	Y52-T67 VanDerWaalsContact CE2-C 3.47Å; Y52-T67 WeakPolarHBondContact OH-CA 3.31Å; T67-A69 PolarHBondContact O-N 2.94Å; T67-A69 VanDerWaalsContact O-N 3.17Å; T67-I70 HydrophobicContact CG2-CD1 4.4Å; T67-I70 PolarHBondContact O-N 3.14Å; T67-I70 VanDerWaalsContact O-N 3.1Å; T67-I70 WeakPolarHBondContact OG1-CG1 3.42Å; T67-I70 PolarHBondContact OG1-N 3.12Å; T67-Y71 PolarHBondContact O-N 2.84Å
68	P	98.4	Very high	97.5	Very high	88 Å²	88	40 Å²	40	57%	0.571	24%	0.236	S	C	*	.	H	α-helix	trans	-53.8	-36.4	175.3	-29	36.4	0	0	0	113.3	Y52 A72	Y52-P68 HydrophobicContact CE1-CG 4.39Å; Y52-P68 HydrophobicContact CE2-CB 4.37Å; Y52-P68 HydrophobicContact CE2-CG 4.16Å; P68-A72 VanDerWaalsContact O-CB 3.28Å; P68-A72 WeakPolarHBondContact O-CB 3.46Å; P68-A72 PolarHBondContact O-N 3.38Å
69	A	98.4	Very high	97.5	Very high	75 Å²	75	38 Å²	38	62%	0.62	23%	0.227	S	C	*	.	H	α-helix	trans	-68.3	-44.5	177.4	0	0	0	0	0	112.6	T67 K73	T67-A69 PolarHBondContact O-N 2.94Å; T67-A69 VanDerWaalsContact O-N 3.17Å; A69-K73 WeakPolarHBondContact O-CB 3.21Å; A69-K73 PolarHBondContact O-N 2.65Å; A69-K73 VanDerWaalsContact O-N 3.09Å
70	I	98.5	Very high	97.6	Very high	34 Å²	34	36.5 Å²	36.5	17%	0.174	22%	0.223	C	C	.	.	H	α-helix	trans	-63.7	-45.6	175.8	-70.3	169.4	0	0	0	110	N65 L66 T67 K73 L74 L120	N65-I70 WeakPolarHBondContact O-CD1 3.42Å; L66-I70 HydrophobicContact CD1-CG2 4.2Å; T67-I70 HydrophobicContact CG2-CD1 4.4Å; T67-I70 PolarHBondContact O-N 3.14Å; T67-I70 VanDerWaalsContact O-N 3.1Å; T67-I70 WeakPolarHBondContact OG1-CG1 3.42Å; T67-I70 PolarHBondContact OG1-N 3.12Å; I70-K73 PolarHBondContact O-N 3.02Å; I70-L74 HydrophobicContact CG2-CD1 3.8Å; I70-L74 HydrophobicContact CG2-CG 4.44Å; I70-L74 WeakPolarHBondContact O-CG 3.36Å; I70-L74 PolarHBondContact O-N 3.42Å; I70-L74 VanDerWaalsContact O-N 3.13Å; I70-L120 HydrophobicContact CG2-CB 3.96Å; I70-L120 HydrophobicContact CG2-CD1 4.45Å
71	Y	98.4	Very high	97.4	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-60.5	-50.7	179.3	-173.5	-98.9	0	0	0	111.6	R44 A48 E51 Y52 L66 T67 K73 L74 C75 I85 D86 I89	R44-Y71 PolarHBondContact NH1-OH 3.07Å; A48-Y71 HydrophobicContact CB-CD1 4.26Å; A48-Y71 HydrophobicContact CB-CE1 4.43Å; A48-Y71 WeakPolarHBondContact O-CD1 3.37Å; A48-Y71 VanDerWaalsContact O-CE1 3.26Å; A48-Y71 WeakPolarHBondContact O-CE1 3.45Å; E51-Y71 HydrophobicContact CB-CE1 4.1Å; E51-Y71 WeakPolarHBondContact CB-OH 3.4Å; E51-Y71 PolarHBondContact O-OH 3.43Å; Y52-Y71 AromaticContact CD2-CD1 3.83Å; Y52-Y71 HydrophobicContact CD2-CD1 3.83Å; Y52-Y71 HydrophobicContact CD2-CD2 4.4Å; Y52-Y71 AromaticContact CD2-CG 3.66Å; Y52-Y71 HydrophobicContact CD2-CG 3.66Å; Y52-Y71 HydrophobicContact CE2-CG 4.16Å; L66-Y71 HydrophobicContact CD1-CD2 4.43Å; L66-Y71 HydrophobicContact CD2-CD2 4.45Å; T67-Y71 PolarHBondContact O-N 2.84Å; Y71-K73 PolarHBondContact O-N 2.86Å; Y71-L74 PolarHBondContact O-N 3.29Å; Y71-C75 HydrophobicContact CD1-CB 4.17Å; Y71-C75 HydrophobicContact CE1-CB 3.84Å; Y71-C75 VanDerWaalsContact O-CB 3.25Å; Y71-C75 WeakPolarHBondContact O-CB 3.18Å; Y71-C75 PolarHBondContact O-N 3.01Å; Y71-I85 HydrophobicContact CE2-CG2 4.31Å; Y71-D86 WeakPolarHBondContact CE2-OD1 3.36Å; Y71-D86 PolarHBondContact OH-OD1 3.44Å; Y71-D86 PolarHBondContact OH-OD2 3.08Å; Y71-I89 HydrophobicContact CE2-CD1 4.26Å
72	A	97.3	Very high	97.4	Very high	53 Å²	53	41.8 Å²	41.8	44%	0.438	26%	0.259	S	S	.	.	H	α-helix	trans	-59.9	-30.4	177.7	0	0	0	0	0	113.4	A48 P68	A48-A72 HydrophobicContact CB-CB 3.73Å; P68-A72 VanDerWaalsContact O-CB 3.28Å; P68-A72 WeakPolarHBondContact O-CB 3.46Å; P68-A72 PolarHBondContact O-N 3.38Å
73	K	97.1	Very high	97.4	Very high	116 Å²	116	42.2 Å²	42.2	50%	0.504	26%	0.261	S	S	.	.	H	α-helix	trans	-73.2	-28.7	175.9	-173.3	-178.9	-179.7	-167	0	113.1	A69 I70 Y71 K77 D119	A69-K73 WeakPolarHBondContact O-CB 3.21Å; A69-K73 PolarHBondContact O-N 2.65Å; A69-K73 VanDerWaalsContact O-N 3.09Å; I70-K73 PolarHBondContact O-N 3.02Å; Y71-K73 PolarHBondContact O-N 2.86Å; K73-K77 WeakPolarHBondContact O-CE 2.82Å; K73-D119 VanDerWaalsContact CD-OD2 3.27Å; K73-D119 WeakPolarHBondContact CD-OD2 3.21Å; K73-D119 WeakPolarHBondContact CE-OD2 3.45Å; K73-D119 VanDerWaalsContact NZ-CG 3.29Å; K73-D119 IonicContact NZ-OD1 3.29Å; K73-D119 PolarHBondContact NZ-OD1 2.73Å; K73-D119 IonicContact NZ-OD2 2.65Å; K73-D119 PolarHBondContact NZ-OD2 3.38Å
74	L	97.1	Very high	97.4	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-109	-18.9	-171	-61.2	-178.3	0	0	0	114	I70 Y71 D76 K77 I85 F117 D119 L120	I70-L74 HydrophobicContact CG2-CD1 3.8Å; I70-L74 HydrophobicContact CG2-CG 4.44Å; I70-L74 WeakPolarHBondContact O-CG 3.36Å; I70-L74 PolarHBondContact O-N 3.42Å; I70-L74 VanDerWaalsContact O-N 3.13Å; Y71-L74 PolarHBondContact O-N 3.29Å; L74-D76 VanDerWaalsContact C-N 3.27Å; L74-D76 PolarHBondContact O-N 3.27Å; L74-K77 HydrophobicContact CD2-CD 3.99Å; L74-K77 WeakPolarHBondContact O-CB 3.31Å; L74-K77 PolarHBondContact O-N 3.08Å; L74-I85 HydrophobicContact CB-CB 4.33Å; L74-I85 HydrophobicContact CB-CG1 4.21Å; L74-I85 HydrophobicContact CB-CG2 4.46Å; L74-I85 HydrophobicContact CD1-CD1 4.12Å; L74-I85 HydrophobicContact CD1-CG1 4.46Å; L74-F117 HydrophobicContact CB-CD1 4.46Å; L74-F117 HydrophobicContact CD1-CB 4.42Å; L74-D119 HydrophobicContact CD1-CB 4.32Å; L74-L120 HydrophobicContact CD1-CB 4.06Å
75	C	95.9	Very high	97.4	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.027	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.3	-169	65.6	0	0	0	0	114.7	R44 A48 Y71 I85	R44-C75 VanDerWaalsContact CZ-O 3.32Å; R44-C75 PolarHBondContact NE-O 3.46Å; R44-C75 PolarHBondContact NH2-O 3.39Å; A48-C75 VanDerWaalsContact CB-SG 3.54Å; Y71-C75 HydrophobicContact CD1-CB 4.17Å; Y71-C75 HydrophobicContact CE1-CB 3.84Å; Y71-C75 VanDerWaalsContact O-CB 3.25Å; Y71-C75 WeakPolarHBondContact O-CB 3.18Å; Y71-C75 PolarHBondContact O-N 3.01Å; C75-I85 HydrophobicContact CB-CG2 4.48Å
76	D	94.8	Very high	97.4	Very high	69 Å²	69	39.6 Å²	39.6	37%	0.369	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	-0	178.8	-62	-24.3	0	0	0	112.8	P41 L42 R44 L74	P41-D76 WeakPolarHBondContact CA-O 3.47Å; L42-D76 PolarHBondContact N-O 2.91Å; R44-D76 WeakPolarHBondContact CG-OD1 3.45Å; R44-D76 IonicContact NE-OD1 3.77Å; L74-D76 VanDerWaalsContact C-N 3.27Å; L74-D76 PolarHBondContact O-N 3.27Å
77	K	96	Very high	97.4	Very high	70 Å²	70	43.2 Å²	43.2	30%	0.304	26%	0.257	S	S	.	.			trans	-87.9	145.1	177.3	-61.8	-170.8	-179.6	-175	0	111.1	K73 L74 V116 F117	K73-K77 WeakPolarHBondContact O-CE 2.82Å; L74-K77 HydrophobicContact CD2-CD 3.99Å; L74-K77 WeakPolarHBondContact O-CB 3.31Å; L74-K77 PolarHBondContact O-N 3.08Å; K77-V116 HydrophobicContact CB-CG1 3.95Å; K77-V116 HydrophobicContact CD-CG1 4.18Å; K77-F117 HydrophobicContact CB-CE1 4.25Å
78	A	96.6	Very high	97.4	Very high	2 Å²	2	40.8 Å²	40.8	2%	0.017	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-132.2	154.7	168.1	0	0	0	0	0	110.5	A38 G39 L42 Y83 T84	A38-A78 CarbonylContact C-O 3.6Å; A38-A78 WeakPolarHBondContact CA-O 3.42Å; G39-A78 PolarHBondContact N-O 3.07Å; L42-A78 HydrophobicContact CD1-CB 4.44Å; A78-Y83 CarbonylContact C-O 3.55Å; A78-Y83 VanDerWaalsContact CA-O 3.26Å; A78-Y83 WeakPolarHBondContact CA-O 3.28Å; A78-T84 HydrophobicContact CB-CG2 4.39Å
79	T	97.9	Very high	97.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	22%	0.216	C	C	.	.			trans	-69.9	168.8	168.7	69.4	0	0	0	0	110	N81 G82 Y83 D110 V116 F117	T79-N81 PolarHBondContact O-N 3.36Å; T79-N81 VanDerWaalsContact O-N 3.1Å; T79-G82 PolarHBondContact O-N 3.29Å; T79-Y83 PolarHBondContact N-O 3.17Å; T79-Y83 VanDerWaalsContact OG1-CB 3.28Å; T79-Y83 WeakPolarHBondContact OG1-CB 3.42Å; T79-Y83 PolarHBondContact OG1-N 2.93Å; T79-D110 WeakPolarHBondContact CB-OD2 3.37Å; T79-D110 VanDerWaalsContact CG2-OD1 3.27Å; T79-D110 WeakPolarHBondContact CG2-OD1 3.4Å; T79-D110 PolarHBondContact OG1-OD2 2.78Å; T79-V116 HydrophobicContact CG2-CB 4.41Å; T79-V116 HydrophobicContact CG2-CG2 4.38Å; T79-F117 HydrophobicContact CG2-CE2 3.73Å; T79-F117 HydrophobicContact CG2-CZ 4.1Å
80	P	96.9	Very high	97.4	Very high	65 Å²	65	36.8 Å²	36.8	42%	0.422	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-27.3	176.5	-28.8	37.8	0	0	0	114.4	E112	P80-E112 HydrophobicContact CG-CB 4.45Å; P80-E112 HydrophobicContact CG-CG 4.02Å
81	N	94.8	Very high	97.4	Very high	78 Å²	78	35.5 Å²	35.5	42%	0.417	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	8.7	176.9	-61.4	-40.8	0	0	0	113.4	T79	T79-N81 PolarHBondContact O-N 3.36Å; T79-N81 VanDerWaalsContact O-N 3.1Å
82	G	96.9	Very high	97.4	Very high	36 Å²	36	35.4 Å²	35.4	37%	0.371	20%	0.196	S	C	.	.			trans	83.1	13.1	175.6	0	0	0	0	0	115.1	T79	T79-G82 PolarHBondContact O-N 3.29Å
83	Y	98.3	Very high	97.5	Very high	9 Å²	9	34.7 Å²	34.7	4%	0.035	19%	0.186	C	C	.	.			trans	-73.1	137.2	174.8	-157.7	-108.7	0	0	0	110.3	A78 T79 Q87 A88 F117 P176 A177	A78-Y83 CarbonylContact C-O 3.55Å; A78-Y83 VanDerWaalsContact CA-O 3.26Å; A78-Y83 WeakPolarHBondContact CA-O 3.28Å; T79-Y83 PolarHBondContact N-O 3.17Å; T79-Y83 VanDerWaalsContact OG1-CB 3.28Å; T79-Y83 WeakPolarHBondContact OG1-CB 3.42Å; T79-Y83 PolarHBondContact OG1-N 2.93Å; Y83-Q87 HydrophobicContact CD2-CB 4.11Å; Y83-Q87 HydrophobicContact CE1-CB 4.16Å; Y83-Q87 HydrophobicContact CE2-CB 3.61Å; Y83-Q87 HydrophobicContact CE2-CG 4.41Å; Y83-Q87 PolarHBondContact OH-O 2.86Å; Y83-A88 HydrophobicContact CE1-CB 3.92Å; Y83-F117 HydrophobicContact CD1-CE2 4.44Å; Y83-F117 WeakPolarHBondContact O-CZ 3.34Å; Y83-P176 HydrophobicContact CE2-CB 4.28Å; Y83-P176 WeakPolarHBondContact OH-CB 3.19Å; Y83-A177 HydrophobicContact CD2-CB 3.49Å; Y83-A177 VanDerWaalsContact CD2-CB 3.49Å; Y83-A177 HydrophobicContact CE2-CB 3.72Å; Y83-A177 HydrophobicContact CG-CB 4.37Å
84	T	98.4	Very high	97.5	Very high	21 Å²	21	32.8 Å²	32.8	13%	0.129	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-117.5	164.2	-170.6	61.8	0	0	0	0	112.3	L42 A78 D86 Q87 A88	L42-T84 HydrophobicContact CD1-CG2 4.25Å; A78-T84 HydrophobicContact CB-CG2 4.39Å; T84-D86 VanDerWaalsContact C-N 3.28Å; T84-D86 PolarHBondContact O-N 3.28Å; T84-Q87 PolarHBondContact O-N 3.38Å; T84-Q87 WeakPolarHBondContact OG1-CG 3.41Å; T84-Q87 PolarHBondContact OG1-N 3.28Å; T84-Q87 PolarHBondContact OG1-OE1 3.4Å; T84-A88 PolarHBondContact O-N 3Å
85	I	98.3	Very high	97.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-62.2	-34.7	176	-167	61	0	0	0	112.4	Y71 L74 C75 A88 I89 F117 L120	Y71-I85 HydrophobicContact CE2-CG2 4.31Å; L74-I85 HydrophobicContact CB-CB 4.33Å; L74-I85 HydrophobicContact CB-CG1 4.21Å; L74-I85 HydrophobicContact CB-CG2 4.46Å; L74-I85 HydrophobicContact CD1-CD1 4.12Å; L74-I85 HydrophobicContact CD1-CG1 4.46Å; C75-I85 HydrophobicContact CB-CG2 4.48Å; I85-A88 WeakPolarHBondContact O-CB 3.38Å; I85-A88 PolarHBondContact O-N 3.14Å; I85-I89 HydrophobicContact CD1-CG2 4.23Å; I85-I89 HydrophobicContact CG1-CG2 4.37Å; I85-I89 WeakPolarHBondContact O-CG1 3.33Å; I85-I89 WeakPolarHBondContact O-CG2 3.17Å; I85-I89 PolarHBondContact O-N 3.02Å; I85-F117 HydrophobicContact CB-CD1 4.1Å; I85-F117 HydrophobicContact CB-CE1 4Å; I85-F117 HydrophobicContact CD1-CB 4Å; I85-F117 HydrophobicContact CD1-CD1 3.9Å; I85-F117 HydrophobicContact CD1-CG 3.91Å; I85-L120 HydrophobicContact CD1-CD2 3.76Å
86	D	98.5	Very high	97.5	Very high	40 Å²	40	36.4 Å²	36.4	21%	0.214	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-44.7	179.2	-72	-11.6	0	0	0	110.9	R44 Y71 T84 A88 I89 Q90	R44-D86 IonicContact CZ-OD2 2.86Å; R44-D86 IonicContact NH1-OD1 2.63Å; R44-D86 IonicContact NH1-OD2 3.64Å; R44-D86 PolarHBondContact NH1-OD2 2.99Å; R44-D86 VanDerWaalsContact NH2-CG 3.27Å; R44-D86 IonicContact NH2-OD1 3.82Å; R44-D86 IonicContact NH2-OD2 3.78Å; R44-D86 PolarHBondContact NH2-OD2 2.87Å; Y71-D86 WeakPolarHBondContact CE2-OD1 3.36Å; Y71-D86 PolarHBondContact OH-OD1 3.44Å; Y71-D86 PolarHBondContact OH-OD2 3.08Å; T84-D86 VanDerWaalsContact C-N 3.28Å; T84-D86 PolarHBondContact O-N 3.28Å; D86-A88 VanDerWaalsContact C-N 3.27Å; D86-A88 PolarHBondContact O-N 3.35Å; D86-I89 PolarHBondContact O-N 3.17Å; D86-Q90 WeakPolarHBondContact O-CB 3.34Å; D86-Q90 PolarHBondContact O-N 2.88Å
87	Q	98.6	Very high	97.1	Very high	88 Å²	88	34.6 Å²	34.6	41%	0.411	20%	0.202	S	C	.	.	H	α-helix	trans	-60.2	-39.6	173.6	-69	167.2	-58.9	0	0	111.5	Y83 T84	Y83-Q87 HydrophobicContact CD2-CB 4.11Å; Y83-Q87 HydrophobicContact CE1-CB 4.16Å; Y83-Q87 HydrophobicContact CE2-CB 3.61Å; Y83-Q87 HydrophobicContact CE2-CG 4.41Å; Y83-Q87 PolarHBondContact OH-O 2.86Å; T84-Q87 PolarHBondContact O-N 3.38Å; T84-Q87 WeakPolarHBondContact OG1-CG 3.41Å; T84-Q87 PolarHBondContact OG1-N 3.28Å; T84-Q87 PolarHBondContact OG1-OE1 3.4Å
88	A	98.7	Very high	96.4	Very high	4 Å²	4	33.1 Å²	33.1	3%	0.033	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-43.7	177.9	0	0	0	0	0	112.5	Y83 T84 I85 D86 L106 V107	Y83-A88 HydrophobicContact CE1-CB 3.92Å; T84-A88 PolarHBondContact O-N 3Å; I85-A88 WeakPolarHBondContact O-CB 3.38Å; I85-A88 PolarHBondContact O-N 3.14Å; D86-A88 VanDerWaalsContact C-N 3.27Å; D86-A88 PolarHBondContact O-N 3.35Å; A88-L106 CarbonylContact O-C 3.54Å; A88-L106 WeakPolarHBondContact O-CA 3.46Å; A88-L106 VanDerWaalsContact O-CB 3.23Å; A88-L106 WeakPolarHBondContact O-CB 3.24Å; A88-V107 WeakPolarHBondContact CA-O 3.42Å; A88-V107 WeakPolarHBondContact CB-O 3.35Å; A88-V107 PolarHBondContact O-N 2.76Å
89	I	98.8	Very high	95.4	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-89.6	-11.8	-175	71.3	178.6	0	0	0	114.1	P53 M62 L66 Y71 I85 D86 T91 G92 V93 L106 L120	P53-I89 HydrophobicContact CG-CD1 4.21Å; M62-I89 HydrophobicContact CE-CB 4.07Å; M62-I89 HydrophobicContact CG-CB 4.03Å; M62-I89 HydrophobicContact CG-CG2 3.73Å; M62-I89 HydrophobicContact SD-CB 4.02Å; M62-I89 HydrophobicContact SD-CG2 4.1Å; L66-I89 HydrophobicContact CD2-CD1 4.02Å; Y71-I89 HydrophobicContact CE2-CD1 4.26Å; I85-I89 HydrophobicContact CD1-CG2 4.23Å; I85-I89 HydrophobicContact CG1-CG2 4.37Å; I85-I89 WeakPolarHBondContact O-CG1 3.33Å; I85-I89 WeakPolarHBondContact O-CG2 3.17Å; I85-I89 PolarHBondContact O-N 3.02Å; D86-I89 PolarHBondContact O-N 3.17Å; I89-T91 VanDerWaalsContact C-N 3.29Å; I89-T91 PolarHBondContact O-N 2.79Å; I89-T91 VanDerWaalsContact O-N 3.16Å; I89-G92 WeakPolarHBondContact O-CA 3.26Å; I89-G92 PolarHBondContact O-N 2.96Å; I89-V93 HydrophobicContact CD1-CG2 4.23Å; I89-V93 HydrophobicContact CG1-CG2 4.05Å; I89-V93 PolarHBondContact O-N 3.09Å; I89-L106 HydrophobicContact CG2-CB 4.35Å; I89-L120 HydrophobicContact CG2-CD2 3.72Å
90	Q	98.8	Very high	94.1	Very high	76 Å²	76	45.1 Å²	45.1	36%	0.355	26%	0.259	S	S	.	.	H	α-helix	trans	-50.6	-46.4	-171.2	-169.1	64.8	55.8	0	0	112.9	D86 G92 V93 D94	D86-Q90 WeakPolarHBondContact O-CB 3.34Å; D86-Q90 PolarHBondContact O-N 2.88Å; Q90-G92 VanDerWaalsContact C-N 3.26Å; Q90-G92 PolarHBondContact O-N 3.21Å; Q90-V93 PolarHBondContact O-N 3.02Å; Q90-D94 PolarHBondContact NE2-OD1 2.99Å; Q90-D94 PolarHBondContact NE2-OD2 2.92Å; Q90-D94 PolarHBondContact O-N 3.25Å
91	T	98.4	Very high	93.1	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.043	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-35.2	178.8	-170.8	0	0	0	0	112.7	I89 N95 V107 L233 A237	I89-T91 VanDerWaalsContact C-N 3.29Å; I89-T91 PolarHBondContact O-N 2.79Å; I89-T91 VanDerWaalsContact O-N 3.16Å; T91-N95 WeakPolarHBondContact O-CB 3.4Å; T91-N95 PolarHBondContact O-N 2.9Å; T91-N95 PolarHBondContact O-ND2 3.45Å; T91-V107 HydrophobicContact CG2-CG1 4.29Å; T91-L233 WeakPolarHBondContact OG1-CA 3.37Å; T91-L233 PolarHBondContact OG1-O 3.35Å; T91-A237 HydrophobicContact CG2-CB 4.36Å
92	G	98.4	Very high	92.7	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-78.6	-25.7	175.8	0	0	0	0	0	113.9	H58 N60 I89 Q90 G105	H58-G92 PolarHBondContact CD2-O 2.98Å; N60-G92 PolarHBondContact ND2-O 3.27Å; I89-G92 WeakPolarHBondContact O-CA 3.26Å; I89-G92 PolarHBondContact O-N 2.96Å; Q90-G92 VanDerWaalsContact C-N 3.26Å; Q90-G92 PolarHBondContact O-N 3.21Å; G92-G105 WeakPolarHBondContact CA-O 3.28Å; G92-G105 PolarHBondContact N-O 3.29Å
93	V	98.5	Very high	92.5	Very high	38 Å²	38	44.8 Å²	44.8	23%	0.23	24%	0.241	C	C	.	.	H	α-helix	trans	-71	-45.4	172.1	177	0	0	0	0	110	P53 L55 H58 M62 I89 Q90 N95	P53-V93 HydrophobicContact CB-CG1 4.22Å; P53-V93 HydrophobicContact CB-CG2 3.84Å; P53-V93 HydrophobicContact CG-CG2 4.28Å; L55-V93 HydrophobicContact CD2-CG2 4.27Å; H58-V93 PolarHBondContact NE2-O 3.4Å; M62-V93 HydrophobicContact CE-CG2 4.09Å; I89-V93 HydrophobicContact CD1-CG2 4.23Å; I89-V93 HydrophobicContact CG1-CG2 4.05Å; I89-V93 PolarHBondContact O-N 3.09Å; Q90-V93 PolarHBondContact O-N 3.02Å; V93-N95 VanDerWaalsContact C-N 3.34Å; V93-N95 PolarHBondContact O-N 3.17Å
94	D	98.3	Very high	92.4	Very high	76 Å²	76	44.8 Å²	44.8	41%	0.406	24%	0.242	S	C	.	.	H	α-helix	trans	-73.3	-27.1	-177.9	-65	-10.3	0	0	0	112.7	Q90 P96 C236	Q90-D94 PolarHBondContact NE2-OD1 2.99Å; Q90-D94 PolarHBondContact NE2-OD2 2.92Å; Q90-D94 PolarHBondContact O-N 3.25Å; D94-P96 WeakPolarHBondContact O-CD 3.39Å; D94-C236 HydrophobicContact CB-CB 4.05Å; D94-C236 WeakPolarHBondContact OD2-CB 3.39Å; D94-C236 PolarHBondContact OD2-SG 3.06Å
95	N	96.9	Very high	92.4	Very high	18 Å²	18	44.1 Å²	44.1	10%	0.096	24%	0.239	C	C	.	.			trans	-114.6	93.6	-177.3	-60.8	-85.9	0	0	0	110.9	N60 T91 V93 G97 P232 L233	N60-N95 PolarHBondContact ND2-O 3.39Å; T91-N95 WeakPolarHBondContact O-CB 3.4Å; T91-N95 PolarHBondContact O-N 2.9Å; T91-N95 PolarHBondContact O-ND2 3.45Å; V93-N95 VanDerWaalsContact C-N 3.34Å; V93-N95 PolarHBondContact O-N 3.17Å; N95-G97 PolarHBondContact O-N 3.31Å; N95-G97 VanDerWaalsContact O-N 3.11Å; N95-P232 PolarHBondContact ND2-O 2.93Å; N95-P232 WeakPolarHBondContact OD1-CB 3.32Å; N95-L233 HydrophobicContact CB-CD2 3.78Å
96	P	94.6	Very high	92.4	Very high	61 Å²	61	44.3 Å²	44.3	40%	0.396	24%	0.24	S	C	.	.			trans	-66.1	-15.4	-177.1	26.2	-34.6	0	0	0	113.7	H58 N59 D94	H58-P96 CarbonylContact C-O 3.54Å; H58-P96 WeakPolarHBondContact CA-O 3.46Å; H58-P96 VanDerWaalsContact CD2-CA 3.46Å; H58-P96 WeakPolarHBondContact CD2-CA 3.43Å; N59-P96 PolarHBondContact N-O 2.88Å; D94-P96 WeakPolarHBondContact O-CD 3.39Å
97	G	87.6	Confident	92.4	Very high	32 Å²	32	42.9 Å²	42.9	33%	0.33	23%	0.233	S	C	.	.			trans	-176.1	-173.8	174.5	0	0	0	0	0	110.8	N95	N95-G97 PolarHBondContact O-N 3.31Å; N95-G97 VanDerWaalsContact O-N 3.11Å
98	H	81.3	Confident	92.4	Very high	39 Å²	39	38.7 Å²	38.7	18%	0.181	21%	0.214	C	C	.	.			trans	-136.2	142.2	173.4	-171.4	-95.4	0	0	0	109.8	F100 I101 T103 D358	H98-F100 AromaticContact CE1-CD2 3.86Å; H98-F100 PolarHBondContact O-N 3.18Å; H98-I101 HydrophobicContact CB-CG1 4.32Å; H98-I101 WeakPolarHBondContact CB-O 3.26Å; H98-T103 HydrophobicContact CB-CG2 3.48Å; H98-T103 VanDerWaalsContact CB-CG2 3.48Å; H98-D358 IonicContact CE1-OD1 3.16Å; H98-D358 PolarHBondContact CE1-OD1 3.25Å; H98-D358 IonicContact NE2-OD1 2.83Å; H98-D358 PolarHBondContact NE2-OD1 3.27Å
99	P	74.9	Confident	92.4	Very high	113 Å²	113	38.5 Å²	38.5	73%	0.734	21%	0.212	S	C	*	.	S	Bend	trans	-57.3	-26.7	-172.2	-28.1	35.7	0	0	0	115.3
100	F	70.1	Confident	92.4	Very high	141 Å²	141	38.4 Å²	38.4	62%	0.618	21%	0.212	S	C	*	.	S	Bend	trans	-115.8	-21.1	-170.3	-55.7	-63.5	0	0	0	115.3	H98	H98-F100 AromaticContact CE1-CD2 3.86Å; H98-F100 PolarHBondContact O-N 3.18Å
101	I	76.1	Confident	92.4	Very high	75 Å²	75	36.4 Å²	36.4	39%	0.385	20%	0.202	S	C	.	.	S	Bend	trans	-147.9	150.9	-170.1	59.4	171	0	0	0	111.5	H98 T103 V357	H98-I101 HydrophobicContact CB-CG1 4.32Å; H98-I101 WeakPolarHBondContact CB-O 3.26Å; I101-T103 HydrophobicContact CG1-CG2 4.33Å; I101-T103 PolarHBondContact O-N 2.99Å; I101-V357 HydrophobicContact CD1-CG2 4.16Å
102	K	86.8	Confident	92.4	Very high	86 Å²	86	38.5 Å²	38.5	37%	0.374	21%	0.212	S	C	.	.			trans	-71.9	119.9	163	-167.4	177.3	-172.5	-174.7	0	108.6	N59 S64 E127	N59-K102 WeakPolarHBondContact OD1-CE 3.34Å; S64-K102 PolarHBondContact OG-NZ 3.34Å; S64-K102 VanDerWaalsContact OG-NZ 3.08Å; K102-E127 VanDerWaalsContact CE-OE1 3.32Å; K102-E127 WeakPolarHBondContact CE-OE1 3.41Å; K102-E127 IonicContact NZ-OE1 2.6Å; K102-E127 PolarHBondContact NZ-OE1 2.87Å
103	T	92.4	Very high	92.4	Very high	11 Å²	11	38.6 Å²	38.6	7%	0.067	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-86.3	164.2	-179.3	55	0	0	0	0	111.5	N60 C61 H98 I101 L233	N60-T103 VanDerWaalsContact CA-O 3.32Å; N60-T103 WeakPolarHBondContact CA-O 3.49Å; N60-T103 WeakPolarHBondContact CB-O 3.27Å; N60-T103 WeakPolarHBondContact CB-OG1 3.5Å; C61-T103 PolarHBondContact N-O 2.99Å; H98-T103 HydrophobicContact CB-CG2 3.48Å; H98-T103 VanDerWaalsContact CB-CG2 3.48Å; I101-T103 HydrophobicContact CG1-CG2 4.33Å; I101-T103 PolarHBondContact O-N 2.99Å; T103-L233 HydrophobicContact CG2-CD1 3.83Å; T103-L233 HydrophobicContact CG2-CD2 4.17Å
104	V	96.8	Very high	92.4	Very high	9 Å²	9	36.8 Å²	36.8	6%	0.055	20%	0.201	C	C	.	.			trans	-71.7	-45.5	175.4	-178.4	0	0	0	0	111	C61 M62 L106 V124 R128 P316	C61-V104 PolarHBondContact N-O 3.01Å; M62-V104 WeakPolarHBondContact CB-O 3.42Å; M62-V104 PolarHBondContact N-O 2.75Å; V104-L106 HydrophobicContact CG1-CD1 4.49Å; V104-L106 HydrophobicContact CG1-CG 4.25Å; V104-V124 HydrophobicContact CG1-CG1 3.6Å; V104-R128 HydrophobicContact CG2-CG 3.98Å; V104-P316 HydrophobicContact CG1-CB 4.02Å; V104-P316 HydrophobicContact CG1-CG 3.81Å
105	G	97.4	Very high	92.4	Very high	7 Å²	7	38 Å²	38	7%	0.072	20%	0.204	C	C	.	.			trans	79.7	13.3	178.5	0	0	0	0	0	115.2	M62 G92	M62-G105 VanDerWaalsContact CB-O 3.3Å; M62-G105 WeakPolarHBondContact CB-O 3.15Å; M62-G105 WeakPolarHBondContact CG-O 3.41Å; G92-G105 WeakPolarHBondContact CA-O 3.28Å; G92-G105 PolarHBondContact N-O 3.29Å
106	L	98.1	Very high	92.5	Very high	5 Å²	5	37.7 Å²	37.7	3%	0.026	20%	0.203	C	C	.	.			trans	-154.4	162	168.4	63.7	81.5	0	0	0	111.3	M62 A88 I89 V104 L120 L121 V124 P316	M62-L106 HydrophobicContact CB-CB 4.24Å; M62-L106 HydrophobicContact CB-CD2 3.91Å; M62-L106 HydrophobicContact CB-CG 4.24Å; M62-L106 HydrophobicContact CG-CB 4.14Å; M62-L106 HydrophobicContact CG-CD2 3.82Å; M62-L106 HydrophobicContact CG-CG 4.4Å; A88-L106 CarbonylContact O-C 3.54Å; A88-L106 WeakPolarHBondContact O-CA 3.46Å; A88-L106 VanDerWaalsContact O-CB 3.23Å; A88-L106 WeakPolarHBondContact O-CB 3.24Å; I89-L106 HydrophobicContact CG2-CB 4.35Å; V104-L106 HydrophobicContact CG1-CD1 4.49Å; V104-L106 HydrophobicContact CG1-CG 4.25Å; L106-L120 HydrophobicContact CD2-CD2 3.88Å; L106-L120 HydrophobicContact CD2-CG 4.01Å; L106-L121 HydrophobicContact CD1-CD2 3.31Å; L106-L121 HydrophobicContact CD1-CG 4.15Å; L106-V124 HydrophobicContact CD2-CB 4.4Å; L106-V124 HydrophobicContact CD2-CG1 4.21Å; L106-V124 HydrophobicContact CD2-CG2 3.97Å; L106-V124 HydrophobicContact CG-CG1 4.4Å; L106-P316 HydrophobicContact CD1-CG 3.47Å; L106-P316 VanDerWaalsContact CD1-CG 3.47Å; L106-P316 WeakPolarHBondContact O-CD 3.26Å
107	V	98.8	Very high	92.7	Very high	11 Å²	11	34.8 Å²	34.8	7%	0.067	18%	0.184	C	C	.	.			trans	-136	155	178.4	-66.1	0	0	0	0	111.5	A88 T91 P176 A237 T314	A88-V107 WeakPolarHBondContact CA-O 3.42Å; A88-V107 WeakPolarHBondContact CB-O 3.35Å; A88-V107 PolarHBondContact O-N 2.76Å; T91-V107 HydrophobicContact CG2-CG1 4.29Å; V107-P176 HydrophobicContact CB-CG 4.09Å; V107-P176 HydrophobicContact CG2-CB 4.1Å; V107-P176 HydrophobicContact CG2-CG 3.79Å; V107-A237 HydrophobicContact CG1-CB 4.12Å; V107-A237 HydrophobicContact CG2-CB 4.04Å; V107-T314 HydrophobicContact CB-CG2 4.11Å; V107-T314 HydrophobicContact CG1-CG2 4.29Å
108	A	98.9	Very high	93.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.			trans	-91.3	139.1	170	0	0	0	0	0	111	Y114 L174 T314	A108-Y114 HydrophobicContact CB-CD2 3.87Å; A108-Y114 HydrophobicContact CB-CE2 3.27Å; A108-L174 HydrophobicContact CB-CD1 3.87Å; A108-T314 PolarHBondContact N-O 2.99Å
109	G	98.7	Very high	94.1	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.181	C	C	.	.	S	Bend	trans	-91.5	-21.6	175.4	0	0	0	0	0	113.4	S113 S173 L174 A177	G109-S113 PolarHBondContact N-OG 2.85Å; G109-S173 CarbonylContact O-C 3.43Å; G109-L174 WeakPolarHBondContact O-CB 3.33Å; G109-L174 PolarHBondContact O-N 3.03Å; G109-A177 WeakPolarHBondContact O-CB 3.46Å
110	D	98.8	Very high	95.2	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.011	15%	0.146	C	C	.	.	S	Bend	trans	-159.4	177.4	-178.4	48.9	31.9	0	0	0	110.1	T79 E112 S113	T79-D110 WeakPolarHBondContact CB-OD2 3.37Å; T79-D110 VanDerWaalsContact CG2-OD1 3.27Å; T79-D110 WeakPolarHBondContact CG2-OD1 3.4Å; T79-D110 PolarHBondContact OG1-OD2 2.78Å; D110-E112 VanDerWaalsContact C-N 3.29Å; D110-E112 PolarHBondContact O-N 3.48Å; D110-S113 PolarHBondContact N-OG 2.95Å; D110-S113 WeakPolarHBondContact O-CB 3.42Å; D110-S113 PolarHBondContact O-N 3.31Å; D110-S113 PolarHBondContact O-OG 2.76Å; D110-S113 WeakPolarHBondContact OD1-CB 3.37Å; D110-S113 PolarHBondContact OD1-N 3.37Å; D110-S113 PolarHBondContact OD1-OG 2.94Å
111	E	98.8	Very high	96.6	Very high	33 Å²	33	23 Å²	23	15%	0.154	12%	0.118	C	C	.	.	S	Bend	trans	-63.6	-39.5	-179	-168.1	168.7	-169.5	0	0	110.6	S113 Y114 R170 M304 I312	E111-S113 VanDerWaalsContact C-N 3.3Å; E111-S113 PolarHBondContact O-N 3.02Å; E111-Y114 PolarHBondContact O-N 3.39Å; E111-R170 IonicContact OE1-CZ 3.48Å; E111-R170 IonicContact OE1-NE 3.89Å; E111-R170 PolarHBondContact OE1-NE 3.32Å; E111-R170 IonicContact OE1-NH2 3.41Å; E111-R170 PolarHBondContact OE1-NH2 3.01Å; E111-R170 WeakPolarHBondContact OE2-CG 3.37Å; E111-R170 IonicContact OE2-CZ 2.96Å; E111-R170 IonicContact OE2-NE 2.79Å; E111-R170 PolarHBondContact OE2-NE 2.93Å; E111-R170 IonicContact OE2-NH2 3.6Å; E111-M304 HydrophobicContact CB-CE 4.3Å; E111-M304 HydrophobicContact CB-CG 4.3Å; E111-M304 HydrophobicContact CB-SD 3.8Å; E111-M304 HydrophobicContact CG-CB 4.26Å; E111-M304 HydrophobicContact CG-CG 4.29Å; E111-M304 HydrophobicContact CG-SD 4.26Å; E111-I312 HydrophobicContact CG-CG1 4.41Å
112	E	98.7	Very high	97.6	Very high	52 Å²	52	20 Å²	20	24%	0.243	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-24.5	-176.7	-63	85.5	169.9	0	0	113.3	V36 P80 D110 Y114 E115 V116	V36-E112 HydrophobicContact CG1-CB 3.83Å; V36-E112 HydrophobicContact CG1-CG 3.7Å; V36-E112 HydrophobicContact CG2-CG 4.27Å; P80-E112 HydrophobicContact CG-CB 4.45Å; P80-E112 HydrophobicContact CG-CG 4.02Å; D110-E112 VanDerWaalsContact C-N 3.29Å; D110-E112 PolarHBondContact O-N 3.48Å; E112-Y114 PolarHBondContact O-N 2.99Å; E112-Y114 VanDerWaalsContact O-N 3.14Å; E112-E115 PolarHBondContact O-N 3.27Å; E112-V116 WeakPolarHBondContact O-CG2 3.44Å; E112-V116 PolarHBondContact O-N 2.93Å
113	S	98.8	Very high	98.2	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.007	9%	0.094	C	C	.	.	H	α-helix	trans	-49.1	-40.4	173.1	-67.6	0	0	0	0	111.8	G109 D110 E111 E115 F117 L121	G109-S113 PolarHBondContact N-OG 2.85Å; D110-S113 PolarHBondContact N-OG 2.95Å; D110-S113 WeakPolarHBondContact O-CB 3.42Å; D110-S113 PolarHBondContact O-N 3.31Å; D110-S113 PolarHBondContact O-OG 2.76Å; D110-S113 WeakPolarHBondContact OD1-CB 3.37Å; D110-S113 PolarHBondContact OD1-N 3.37Å; D110-S113 PolarHBondContact OD1-OG 2.94Å; E111-S113 VanDerWaalsContact C-N 3.3Å; E111-S113 PolarHBondContact O-N 3.02Å; S113-E115 PolarHBondContact O-N 3.07Å; S113-F117 WeakPolarHBondContact O-CB 3.43Å; S113-F117 WeakPolarHBondContact O-CD2 3.21Å; S113-F117 PolarHBondContact O-N 2.71Å; S113-F117 VanDerWaalsContact O-N 3.12Å; S113-L121 VanDerWaalsContact O-CD1 3.25Å; S113-L121 WeakPolarHBondContact O-CD1 3.5Å
114	Y	98.7	Very high	98.5	Very high	1 Å²	1	16.8 Å²	16.8	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-69.5	-14.6	179.9	-75.6	-75.1	0	0	0	114.6	A108 E111 E112 L121 I125 R308 L309 I312 L313 P316 L319	A108-Y114 HydrophobicContact CB-CD2 3.87Å; A108-Y114 HydrophobicContact CB-CE2 3.27Å; E111-Y114 PolarHBondContact O-N 3.39Å; E112-Y114 PolarHBondContact O-N 2.99Å; E112-Y114 VanDerWaalsContact O-N 3.14Å; Y114-L121 HydrophobicContact CD1-CD1 3.88Å; Y114-L121 HydrophobicContact CD1-CD2 3.92Å; Y114-L121 HydrophobicContact CD1-CG 4.36Å; Y114-L121 HydrophobicContact CE1-CD1 4.35Å; Y114-L121 HydrophobicContact CE1-CD2 3.71Å; Y114-L121 HydrophobicContact CG-CD1 4.36Å; Y114-I125 HydrophobicContact CD1-CD1 4.22Å; Y114-I125 HydrophobicContact CE1-CD1 4.27Å; Y114-R308 PolarHBondContact O-NH2 2.89Å; Y114-L309 HydrophobicContact CD1-CD1 3.69Å; Y114-L309 HydrophobicContact CE1-CD1 4.48Å; Y114-L309 HydrophobicContact CG-CD1 3.75Å; Y114-I312 HydrophobicContact CD2-CD1 4.26Å; Y114-I312 HydrophobicContact CD2-CG2 3.65Å; Y114-I312 HydrophobicContact CE2-CG2 3.51Å; Y114-L313 WeakPolarHBondContact CE2-O 3.24Å; Y114-L313 PolarHBondContact OH-O 3.06Å; Y114-P316 HydrophobicContact CE1-CB 4.5Å; Y114-P316 HydrophobicContact CE1-CG 4.28Å; Y114-L319 HydrophobicContact CD1-CD1 4.29Å; Y114-L319 HydrophobicContact CE1-CD1 3.66Å; Y114-L319 HydrophobicContact CE1-CD2 4Å; Y114-L319 HydrophobicContact CE1-CG 4.24Å; Y114-L319 HydrophobicContact CE2-CD2 4.17Å
115	E	98.4	Very high	98.5	Very high	100 Å²	100	16.4 Å²	16.4	47%	0.467	9%	0.088	S	C	.	.	H	α-helix	trans	-103.4	-49	176.3	-174.3	166.1	173.1	0	0	111.3	V36 E112 S113 F117 A118	V36-E115 VanDerWaalsContact CB-CD 3.48Å; V36-E115 HydrophobicContact CB-CG 4.35Å; V36-E115 VanDerWaalsContact CB-OE2 3.26Å; V36-E115 WeakPolarHBondContact CB-OE2 3.35Å; V36-E115 HydrophobicContact CG1-CB 4.29Å; V36-E115 HydrophobicContact CG1-CG 4.34Å; V36-E115 WeakPolarHBondContact CG2-OE2 3.37Å; E112-E115 PolarHBondContact O-N 3.27Å; S113-E115 PolarHBondContact O-N 3.07Å; E115-F117 VanDerWaalsContact C-N 3.26Å; E115-F117 PolarHBondContact O-N 3.27Å; E115-A118 WeakPolarHBondContact O-CB 3.42Å; E115-A118 PolarHBondContact O-N 2.73Å
116	V	98.4	Very high	98.5	Very high	12 Å²	12	20.2 Å²	20.2	7%	0.073	10%	0.103	C	C	.	.	H	α-helix	trans	-60.5	-37.4	-179	177.9	0	0	0	0	111.6	V36 A38 K77 T79 E112	V36-V116 HydrophobicContact CG1-CG2 4.35Å; A38-V116 HydrophobicContact CB-CG1 4.34Å; K77-V116 HydrophobicContact CB-CG1 3.95Å; K77-V116 HydrophobicContact CD-CG1 4.18Å; T79-V116 HydrophobicContact CG2-CB 4.41Å; T79-V116 HydrophobicContact CG2-CG2 4.38Å; E112-V116 WeakPolarHBondContact O-CG2 3.44Å; E112-V116 PolarHBondContact O-N 2.93Å
117	F	98.6	Very high	98.4	Very high	1 Å²	1	23 Å²	23	0%	0.004	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	20.7	-178.4	-47.8	-55.4	0	0	0	113.5	L74 K77 T79 Y83 I85 S113 E115 D119 L120 L121	L74-F117 HydrophobicContact CB-CD1 4.46Å; L74-F117 HydrophobicContact CD1-CB 4.42Å; K77-F117 HydrophobicContact CB-CE1 4.25Å; T79-F117 HydrophobicContact CG2-CE2 3.73Å; T79-F117 HydrophobicContact CG2-CZ 4.1Å; Y83-F117 HydrophobicContact CD1-CE2 4.44Å; Y83-F117 WeakPolarHBondContact O-CZ 3.34Å; I85-F117 HydrophobicContact CB-CD1 4.1Å; I85-F117 HydrophobicContact CB-CE1 4Å; I85-F117 HydrophobicContact CD1-CB 4Å; I85-F117 HydrophobicContact CD1-CD1 3.9Å; I85-F117 HydrophobicContact CD1-CG 3.91Å; S113-F117 WeakPolarHBondContact O-CB 3.43Å; S113-F117 WeakPolarHBondContact O-CD2 3.21Å; S113-F117 PolarHBondContact O-N 2.71Å; S113-F117 VanDerWaalsContact O-N 3.12Å; E115-F117 VanDerWaalsContact C-N 3.26Å; E115-F117 PolarHBondContact O-N 3.27Å; F117-D119 PolarHBondContact O-N 2.86Å; F117-D119 VanDerWaalsContact O-N 3.12Å; F117-L120 PolarHBondContact O-N 3.04Å; F117-L121 HydrophobicContact CB-CD1 4.02Å; F117-L121 PolarHBondContact O-N 3.29Å
118	A	98.6	Very high	98.1	Very high	21 Å²	21	24.7 Å²	24.7	17%	0.174	12%	0.121	C	C	.	.	H	α-helix	trans	-55.4	-31.4	-176.2	0	0	0	0	0	114	E115 L120 L121 D122	E115-A118 WeakPolarHBondContact O-CB 3.42Å; E115-A118 PolarHBondContact O-N 2.73Å; A118-L120 PolarHBondContact O-N 3.45Å; A118-L121 PolarHBondContact O-N 3.15Å; A118-D122 VanDerWaalsContact O-CB 3.25Å; A118-D122 WeakPolarHBondContact O-CB 3.46Å; A118-D122 PolarHBondContact O-N 2.82Å
119	D	98.6	Very high	97.9	Very high	50 Å²	50	24.8 Å²	24.8	27%	0.267	12%	0.122	S	C	.	.	H	α-helix	trans	-59.1	-29.9	177.3	-70.4	-43.7	0	0	0	113.2	K73 L74 F117 P123	K73-D119 VanDerWaalsContact CD-OD2 3.27Å; K73-D119 WeakPolarHBondContact CD-OD2 3.21Å; K73-D119 WeakPolarHBondContact CE-OD2 3.45Å; K73-D119 VanDerWaalsContact NZ-CG 3.29Å; K73-D119 IonicContact NZ-OD1 3.29Å; K73-D119 PolarHBondContact NZ-OD1 2.73Å; K73-D119 IonicContact NZ-OD2 2.65Å; K73-D119 PolarHBondContact NZ-OD2 3.38Å; L74-D119 HydrophobicContact CD1-CB 4.32Å; F117-D119 PolarHBondContact O-N 2.86Å; F117-D119 VanDerWaalsContact O-N 3.12Å; D119-P123 WeakPolarHBondContact O-CD 3.35Å; D119-P123 WeakPolarHBondContact O-CG 3.29Å
120	L	98.8	Very high	97.4	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-97.2	-42	172.5	-179.3	62.8	0	0	0	112.1	M62 N65 L66 I70 L74 I85 I89 L106 F117 A118 P123 V124	M62-L120 HydrophobicContact CG-CD2 4.4Å; N65-L120 HydrophobicContact CB-CD1 4.29Å; L66-L120 HydrophobicContact CB-CD1 4.08Å; L66-L120 HydrophobicContact CD1-CD1 3.99Å; L66-L120 HydrophobicContact CD1-CD2 3.96Å; I70-L120 HydrophobicContact CG2-CB 3.96Å; I70-L120 HydrophobicContact CG2-CD1 4.45Å; L74-L120 HydrophobicContact CD1-CB 4.06Å; I85-L120 HydrophobicContact CD1-CD2 3.76Å; I89-L120 HydrophobicContact CG2-CD2 3.72Å; L106-L120 HydrophobicContact CD2-CD2 3.88Å; L106-L120 HydrophobicContact CD2-CG 4.01Å; F117-L120 PolarHBondContact O-N 3.04Å; A118-L120 PolarHBondContact O-N 3.45Å; L120-P123 VanDerWaalsContact O-CD 3.24Å; L120-P123 WeakPolarHBondContact O-CD 3.48Å; L120-P123 VanDerWaalsContact O-CG 3.26Å; L120-P123 WeakPolarHBondContact O-CG 3.36Å; L120-V124 HydrophobicContact CD1-CG2 4.29Å; L120-V124 HydrophobicContact CG-CG2 4.5Å; L120-V124 VanDerWaalsContact O-CG2 3.29Å; L120-V124 WeakPolarHBondContact O-CG2 3.44Å; L120-V124 PolarHBondContact O-N 2.84Å
121	L	98.6	Very high	97.1	Very high	5 Å²	5	30.1 Å²	30.1	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-66.4	-41.8	-174.2	-91.5	162.5	0	0	0	112.7	L106 S113 Y114 F117 A118 V124 I125 P316	L106-L121 HydrophobicContact CD1-CD2 3.31Å; L106-L121 HydrophobicContact CD1-CG 4.15Å; S113-L121 VanDerWaalsContact O-CD1 3.25Å; S113-L121 WeakPolarHBondContact O-CD1 3.5Å; Y114-L121 HydrophobicContact CD1-CD1 3.88Å; Y114-L121 HydrophobicContact CD1-CD2 3.92Å; Y114-L121 HydrophobicContact CD1-CG 4.36Å; Y114-L121 HydrophobicContact CE1-CD1 4.35Å; Y114-L121 HydrophobicContact CE1-CD2 3.71Å; Y114-L121 HydrophobicContact CG-CD1 4.36Å; F117-L121 HydrophobicContact CB-CD1 4.02Å; F117-L121 PolarHBondContact O-N 3.29Å; A118-L121 PolarHBondContact O-N 3.15Å; L121-V124 PolarHBondContact O-N 3.32Å; L121-I125 HydrophobicContact CB-CD1 4.47Å; L121-I125 WeakPolarHBondContact O-CB 2.95Å; L121-I125 WeakPolarHBondContact O-CD1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.17Å; L121-I125 PolarHBondContact O-N 3.18Å; L121-P316 HydrophobicContact CD2-CB 4.48Å; L121-P316 HydrophobicContact CD2-CG 3.7Å
122	D	98.6	Very high	97	Very high	13 Å²	13	28.6 Å²	28.6	7%	0.07	15%	0.149	C	C	.	.	H	α-helix	trans	-61.5	-49	-179.3	-66.8	-15.3	0	0	0	113.6	A118 V124 I125 K126 P134 R135 R308	A118-D122 VanDerWaalsContact O-CB 3.25Å; A118-D122 WeakPolarHBondContact O-CB 3.46Å; A118-D122 PolarHBondContact O-N 2.82Å; D122-V124 VanDerWaalsContact C-N 3.31Å; D122-V124 PolarHBondContact O-N 2.75Å; D122-I125 PolarHBondContact O-N 2.95Å; D122-K126 WeakPolarHBondContact O-CB 3.18Å; D122-K126 PolarHBondContact O-N 3Å; D122-P134 HydrophobicContact CB-CG 3.8Å; D122-P134 WeakPolarHBondContact OD1-CG 3.39Å; D122-R135 HydrophobicContact CB-CG 4.3Å; D122-R135 VanDerWaalsContact OD2-CG 3.24Å; D122-R135 WeakPolarHBondContact OD2-CG 3.1Å; D122-R135 IonicContact OD2-CZ 3.8Å; D122-R135 IonicContact OD2-NE 2.91Å; D122-R135 PolarHBondContact OD2-NE 3.36Å; D122-R135 IonicContact OD2-NH2 3.8Å; D122-R308 IonicContact OD1-NH1 2.96Å; D122-R308 PolarHBondContact OD1-NH1 2.67Å
123	P	98.4	Very high	96.9	Very high	29 Å²	29	27.1 Å²	27.1	19%	0.188	14%	0.143	C	C	.	.	H	α-helix	trans	-66	-34.2	177.1	25.4	-34.3	0	0	0	112.3	N65 D119 L120 K126 E127	N65-P123 HydrophobicContact CB-CB 4.27Å; N65-P123 HydrophobicContact CB-CG 4.28Å; D119-P123 WeakPolarHBondContact O-CD 3.35Å; D119-P123 WeakPolarHBondContact O-CG 3.29Å; L120-P123 VanDerWaalsContact O-CD 3.24Å; L120-P123 WeakPolarHBondContact O-CD 3.48Å; L120-P123 VanDerWaalsContact O-CG 3.26Å; L120-P123 WeakPolarHBondContact O-CG 3.36Å; P123-K126 PolarHBondContact O-N 3.47Å; P123-E127 PolarHBondContact O-N 2.97Å
124	V	98.4	Very high	96.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-43.2	172.7	167.6	0	0	0	0	111.7	C61 N65 V104 L106 L120 L121 D122 E127 R128	C61-V124 HydrophobicContact CB-CG1 3.92Å; N65-V124 HydrophobicContact CB-CG2 3.91Å; V104-V124 HydrophobicContact CG1-CG1 3.6Å; L106-V124 HydrophobicContact CD2-CB 4.4Å; L106-V124 HydrophobicContact CD2-CG1 4.21Å; L106-V124 HydrophobicContact CD2-CG2 3.97Å; L106-V124 HydrophobicContact CG-CG1 4.4Å; L120-V124 HydrophobicContact CD1-CG2 4.29Å; L120-V124 HydrophobicContact CG-CG2 4.5Å; L120-V124 VanDerWaalsContact O-CG2 3.29Å; L120-V124 WeakPolarHBondContact O-CG2 3.44Å; L120-V124 PolarHBondContact O-N 2.84Å; L121-V124 PolarHBondContact O-N 3.32Å; D122-V124 VanDerWaalsContact C-N 3.31Å; D122-V124 PolarHBondContact O-N 2.75Å; V124-E127 PolarHBondContact O-N 2.86Å; V124-R128 VanDerWaalsContact O-CB 3.25Å; V124-R128 WeakPolarHBondContact O-CB 3.5Å; V124-R128 PolarHBondContact O-N 2.78Å
125	I	98.3	Very high	96.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.8	-46.1	175.2	-72.4	163.8	0	0	0	109.8	Y114 L121 D122 E127 R128 H129 Y132 P134 L309 P316 L319 L374	Y114-I125 HydrophobicContact CD1-CD1 4.22Å; Y114-I125 HydrophobicContact CE1-CD1 4.27Å; L121-I125 HydrophobicContact CB-CD1 4.47Å; L121-I125 WeakPolarHBondContact O-CB 2.95Å; L121-I125 WeakPolarHBondContact O-CD1 3.28Å; L121-I125 WeakPolarHBondContact O-CG1 3.17Å; L121-I125 PolarHBondContact O-N 3.18Å; D122-I125 PolarHBondContact O-N 2.95Å; I125-E127 PolarHBondContact O-N 3.03Å; I125-R128 PolarHBondContact O-N 3.45Å; I125-H129 WeakPolarHBondContact O-CB 3.36Å; I125-H129 PolarHBondContact O-CD2 3.26Å; I125-H129 PolarHBondContact O-N 2.9Å; I125-Y132 HydrophobicContact CG2-CD1 4.36Å; I125-P134 HydrophobicContact CB-CG 4.39Å; I125-P134 HydrophobicContact CG2-CG 4.08Å; I125-L309 HydrophobicContact CD1-CD2 3.96Å; I125-P316 HydrophobicContact CG1-CB 4.06Å; I125-L319 HydrophobicContact CD1-CD1 3.47Å; I125-L319 VanDerWaalsContact CD1-CD1 3.47Å; I125-L319 HydrophobicContact CG1-CD1 3.74Å; I125-L374 HydrophobicContact CG2-CD2 3.59Å
126	K	97	Very high	96.8	Very high	88 Å²	88	34.8 Å²	34.8	38%	0.383	18%	0.181	S	C	.	.	H	α-helix	trans	-60.1	-45.6	178.9	-173.5	176.3	-173.6	164.4	0	112.4	D122 P123 N130 G131 Y132 D133	D122-K126 WeakPolarHBondContact O-CB 3.18Å; D122-K126 PolarHBondContact O-N 3Å; P123-K126 PolarHBondContact O-N 3.47Å; K126-N130 PolarHBondContact O-N 2.9Å; K126-N130 VanDerWaalsContact O-N 3.17Å; K126-G131 PolarHBondContact O-N 2.8Å; K126-Y132 WeakPolarHBondContact CA-O 3.14Å; K126-D133 HydrophobicContact CD-CB 4.13Å; K126-D133 IonicContact NZ-OD2 2.77Å; K126-D133 PolarHBondContact NZ-OD2 3.32Å
127	E	94.9	Very high	96.7	Very high	62 Å²	62	37.2 Å²	37.2	29%	0.29	19%	0.192	S	C	.	.	H	α-helix	trans	-62.9	-50.1	174.5	-172.8	-168.6	138	0	0	111	C61 S64 N65 K102 P123 V124 I125 H129 N130	C61-E127 PolarHBondContact SG-OE1 3.1Å; S64-E127 WeakPolarHBondContact CB-OE2 3.3Å; N65-E127 PolarHBondContact ND2-OE2 3.44Å; K102-E127 VanDerWaalsContact CE-OE1 3.32Å; K102-E127 WeakPolarHBondContact CE-OE1 3.41Å; K102-E127 IonicContact NZ-OE1 2.6Å; K102-E127 PolarHBondContact NZ-OE1 2.87Å; P123-E127 PolarHBondContact O-N 2.97Å; V124-E127 PolarHBondContact O-N 2.86Å; I125-E127 PolarHBondContact O-N 3.03Å; E127-H129 VanDerWaalsContact C-N 3.32Å; E127-H129 PolarHBondContact O-N 2.8Å; E127-N130 PolarHBondContact O-N 3.15Å
128	R	93.8	Very high	96.7	Very high	47 Å²	47	43.5 Å²	43.5	18%	0.177	22%	0.22	C	C	.	.	H	α-helix	trans	-66.1	-34.1	-173	-179.1	59	-172	91.4	-9.1	113.1	V104 V124 I125	V104-R128 HydrophobicContact CG2-CG 3.98Å; V124-R128 VanDerWaalsContact O-CB 3.25Å; V124-R128 WeakPolarHBondContact O-CB 3.5Å; V124-R128 PolarHBondContact O-N 2.78Å; I125-R128 PolarHBondContact O-N 3.45Å
129	H	93.2	Very high	96.6	Very high	2 Å²	2	43 Å²	43	1%	0.009	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	27.6	178.9	-61.6	-82.5	0	0	0	112	I125 E127 G131 Y132 P316 S317 L374	I125-H129 WeakPolarHBondContact O-CB 3.36Å; I125-H129 PolarHBondContact O-CD2 3.26Å; I125-H129 PolarHBondContact O-N 2.9Å; E127-H129 VanDerWaalsContact C-N 3.32Å; E127-H129 PolarHBondContact O-N 2.8Å; H129-G131 VanDerWaalsContact C-N 3.33Å; H129-G131 PolarHBondContact O-N 2.98Å; H129-Y132 PolarHBondContact O-N 2.81Å; H129-P316 PolarHBondContact NE2-O 2.76Å; H129-S317 PolarHBondContact CE1-O 2.85Å; H129-S317 VanDerWaalsContact CE1-O 3.32Å; H129-L374 HydrophobicContact CB-CB 4.27Å
130	N	88.7	Confident	96.6	Very high	87 Å²	87	43.2 Å²	43.2	47%	0.465	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	44.4	166.2	-160.8	39.2	0	0	0	114.7	K126 E127 Q413	K126-N130 PolarHBondContact O-N 2.9Å; K126-N130 VanDerWaalsContact O-N 3.17Å; E127-N130 PolarHBondContact O-N 3.15Å; N130-Q413 VanDerWaalsContact CB-OE1 3.27Å; N130-Q413 PolarHBondContact ND2-NE2 3.04Å; N130-Q413 PolarHBondContact ND2-OE1 2.78Å; N130-Q413 PolarHBondContact O-OE1 2.92Å
131	G	93.3	Very high	96.5	Very high	27 Å²	27	45.8 Å²	45.8	28%	0.278	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	111.7	-6.1	173.8	0	0	0	0	0	115.1	K126 H129 D133	K126-G131 PolarHBondContact O-N 2.8Å; H129-G131 VanDerWaalsContact C-N 3.33Å; H129-G131 PolarHBondContact O-N 2.98Å; G131-D133 PolarHBondContact O-N 3.01Å
132	Y	96.6	Very high	96.5	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.008	24%	0.241	C	C	.	.			trans	-61.9	112.5	171.3	-176.7	-89.5	0	0	0	109.9	I125 K126 H129 P134 M137 K138 H139 R308 L374 G375 F414	I125-Y132 HydrophobicContact CG2-CD1 4.36Å; K126-Y132 WeakPolarHBondContact CA-O 3.14Å; H129-Y132 PolarHBondContact O-N 2.81Å; Y132-P134 HydrophobicContact CE1-CB 4.11Å; Y132-P134 WeakPolarHBondContact O-CD 3.49Å; Y132-M137 HydrophobicContact CD2-CB 4.07Å; Y132-M137 HydrophobicContact CD2-SD 3.81Å; Y132-M137 HydrophobicContact CE1-CB 4.48Å; Y132-M137 HydrophobicContact CE2-CB 3.6Å; Y132-M137 HydrophobicContact CE2-SD 4.29Å; Y132-M137 HydrophobicContact CG-SD 4.29Å; Y132-M137 PolarHBondContact OH-O 2.94Å; Y132-K138 WeakPolarHBondContact OH-CA 3.32Å; Y132-H139 PolarHBondContact OH-N 2.7Å; Y132-H139 VanDerWaalsContact OH-N 3.09Å; Y132-R308 WeakPolarHBondContact CE1-O 3.47Å; Y132-R308 PolarHBondContact OH-O 3.17Å; Y132-L374 HydrophobicContact CD1-CD1 4.38Å; Y132-L374 HydrophobicContact CD1-CD2 3.23Å; Y132-L374 HydrophobicContact CD1-CG 3.48Å; Y132-L374 VanDerWaalsContact CD1-CG 3.48Å; Y132-L374 HydrophobicContact CD2-CG 4.21Å; Y132-L374 HydrophobicContact CE1-CD1 3.94Å; Y132-L374 HydrophobicContact CE1-CD2 3.44Å; Y132-L374 VanDerWaalsContact CE1-CD2 3.44Å; Y132-L374 HydrophobicContact CE1-CG 3.54Å; Y132-L374 HydrophobicContact CE2-CG 4.25Å; Y132-L374 HydrophobicContact CG-CD2 3.97Å; Y132-L374 HydrophobicContact CG-CG 3.82Å; Y132-G375 VanDerWaalsContact CD2-CA 3.42Å; Y132-G375 VanDerWaalsContact CE2-CA 3.49Å; Y132-F414 HydrophobicContact CD2-CE1 4Å; Y132-F414 HydrophobicContact CD2-CZ 4.49Å
133	D	97.2	Very high	96.5	Very high	21 Å²	21	47.2 Å²	47.2	11%	0.112	24%	0.241	C	C	.	.			trans	-103.2	104.4	-177.2	-167.2	-29.8	0	0	0	110.1	K126 G131 R135 V136 M137	K126-D133 HydrophobicContact CD-CB 4.13Å; K126-D133 IonicContact NZ-OD2 2.77Å; K126-D133 PolarHBondContact NZ-OD2 3.32Å; G131-D133 PolarHBondContact O-N 3.01Å; D133-R135 PolarHBondContact O-N 2.92Å; D133-R135 VanDerWaalsContact OD1-CB 3.29Å; D133-R135 WeakPolarHBondContact OD1-CB 3.21Å; D133-R135 WeakPolarHBondContact OD1-CG 3.41Å; D133-R135 PolarHBondContact OD1-N 2.9Å; D133-R135 VanDerWaalsContact OD1-N 3.1Å; D133-V136 HydrophobicContact CB-CG2 3.8Å; D133-V136 PolarHBondContact O-N 3.28Å; D133-V136 VanDerWaalsContact O-N 3.11Å; D133-M137 HydrophobicContact CB-CE 4.4Å; D133-M137 PolarHBondContact N-SD 3.13Å; D133-M137 VanDerWaalsContact O-CB 3.31Å; D133-M137 WeakPolarHBondContact O-CB 3.16Å; D133-M137 WeakPolarHBondContact O-CG 3.4Å; D133-M137 PolarHBondContact O-N 2.89Å
134	P	97.3	Very high	96.5	Very high	5 Å²	5	48.7 Å²	48.7	3%	0.032	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-6.5	-175.1	30.3	-37.4	0	0	0	113.6	D122 I125 Y132 R308 L309	D122-P134 HydrophobicContact CB-CG 3.8Å; D122-P134 WeakPolarHBondContact OD1-CG 3.39Å; I125-P134 HydrophobicContact CB-CG 4.39Å; I125-P134 HydrophobicContact CG2-CG 4.08Å; Y132-P134 HydrophobicContact CE1-CB 4.11Å; Y132-P134 WeakPolarHBondContact O-CD 3.49Å; P134-R308 WeakPolarHBondContact O-CB 3.4Å; P134-L309 HydrophobicContact CB-CD2 3.54Å; P134-L309 HydrophobicContact CG-CD2 4.37Å
135	R	97.2	Very high	96.5	Very high	141 Å²	141	49.2 Å²	49.2	53%	0.532	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-25.1	176.6	-58.7	171.8	179.1	174.1	0.6	112.8	D122 D133	D122-R135 HydrophobicContact CB-CG 4.3Å; D122-R135 VanDerWaalsContact OD2-CG 3.24Å; D122-R135 WeakPolarHBondContact OD2-CG 3.1Å; D122-R135 IonicContact OD2-CZ 3.8Å; D122-R135 IonicContact OD2-NE 2.91Å; D122-R135 PolarHBondContact OD2-NE 3.36Å; D122-R135 IonicContact OD2-NH2 3.8Å; D133-R135 PolarHBondContact O-N 2.92Å; D133-R135 VanDerWaalsContact OD1-CB 3.29Å; D133-R135 WeakPolarHBondContact OD1-CB 3.21Å; D133-R135 WeakPolarHBondContact OD1-CG 3.41Å; D133-R135 PolarHBondContact OD1-N 2.9Å; D133-R135 VanDerWaalsContact OD1-N 3.1Å
136	V	97.6	Very high	96.4	Very high	117 Å²	117	54.3 Å²	54.3	71%	0.709	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.4	-10.7	-172.8	-60.1	0	0	0	0	113.6	D133	D133-V136 HydrophobicContact CB-CG2 3.8Å; D133-V136 PolarHBondContact O-N 3.28Å; D133-V136 VanDerWaalsContact O-N 3.11Å
137	M	97.3	Very high	96.5	Very high	62 Å²	62	55.1 Å²	55.1	31%	0.305	29%	0.286	S	S	.	.			trans	-109.4	156.6	179.1	-55.8	-171.6	-175.9	0	0	111.5	Y132 D133	Y132-M137 HydrophobicContact CD2-CB 4.07Å; Y132-M137 HydrophobicContact CD2-SD 3.81Å; Y132-M137 HydrophobicContact CE1-CB 4.48Å; Y132-M137 HydrophobicContact CE2-CB 3.6Å; Y132-M137 HydrophobicContact CE2-SD 4.29Å; Y132-M137 HydrophobicContact CG-SD 4.29Å; Y132-M137 PolarHBondContact OH-O 2.94Å; D133-M137 HydrophobicContact CB-CE 4.4Å; D133-M137 PolarHBondContact N-SD 3.13Å; D133-M137 VanDerWaalsContact O-CB 3.31Å; D133-M137 WeakPolarHBondContact O-CB 3.16Å; D133-M137 WeakPolarHBondContact O-CG 3.4Å; D133-M137 PolarHBondContact O-N 2.89Å
138	K	97.6	Very high	96.7	Very high	134 Å²	134	52.3 Å²	52.3	58%	0.583	27%	0.273	S	S	*	.			trans	-118.5	150.3	172.2	-63.4	-170.5	179.8	-162.6	0	110.2	Y132 E307	Y132-K138 WeakPolarHBondContact OH-CA 3.32Å; K138-E307 WeakPolarHBondContact CA-O 3.43Å; K138-E307 VanDerWaalsContact CE-OE1 3.26Å; K138-E307 WeakPolarHBondContact CE-OE1 3.39Å; K138-E307 WeakPolarHBondContact CE-OE2 3.43Å; K138-E307 IonicContact NZ-OE1 3.04Å; K138-E307 PolarHBondContact NZ-OE1 2.93Å; K138-E307 IonicContact NZ-OE2 2.71Å; K138-E307 PolarHBondContact NZ-OE2 2.91Å
139	H	97.9	Very high	96.8	Very high	11 Å²	11	57 Å²	57	5%	0.051	30%	0.297	C	S	.	.			trans	-94.4	124.9	-178.4	-179.9	57.8	0	0	0	111.2	Y132 E307 G310 G320 T321 L374 G375 Q376	Y132-H139 PolarHBondContact OH-N 2.7Å; Y132-H139 VanDerWaalsContact OH-N 3.09Å; H139-E307 PolarHBondContact N-O 3.38Å; H139-G310 VanDerWaalsContact CD2-CA 3.45Å; H139-G310 WeakPolarHBondContact CD2-CA 3.35Å; H139-G320 VanDerWaalsContact NE2-CA 3.32Å; H139-G320 WeakPolarHBondContact NE2-CA 3.2Å; H139-T321 PolarHBondContact NE2-N 2.7Å; H139-L374 HydrophobicContact CB-CD1 3.98Å; H139-G375 PolarHBondContact ND1-N 2.85Å; H139-Q376 PolarHBondContact CE1-O 3.46Å; H139-Q376 VanDerWaalsContact CE1-O 3.3Å
140	P	97.4	Very high	96.6	Very high	54 Å²	54	61.2 Å²	61.2	35%	0.351	33%	0.327	S	S	.	.			trans	-83	133	172.7	32.3	-33.3	0	0	0	111.6	S377	P140-S377 WeakPolarHBondContact O-CA 3.26Å
141	T	97.9	Very high	96.7	Very high	55 Å²	55	57.1 Å²	57.1	34%	0.337	31%	0.305	S	S	.	.			trans	-109.1	131.1	169.5	-63.2	0	0	0	0	109.5	Y311	T141-Y311 HydrophobicContact CG2-CE2 4.14Å
142	D	98.3	Very high	96.9	Very high	34 Å²	34	60.5 Å²	60.5	18%	0.182	32%	0.32	C	S	.	.			trans	-149.5	96.4	179	-169.6	-2.8	0	0	0	111	N144 K147 E378 V379	D142-N144 VanDerWaalsContact C-N 3.33Å; D142-N144 WeakPolarHBondContact OD1-CB 3.34Å; D142-N144 PolarHBondContact OD1-N 3.35Å; D142-N144 VanDerWaalsContact OD1-N 3.09Å; D142-K147 IonicContact OD1-NZ 2.63Å; D142-K147 PolarHBondContact OD1-NZ 3Å; D142-K147 WeakPolarHBondContact OD2-CD 3.36Å; D142-K147 IonicContact OD2-NZ 3.81Å; D142-K147 PolarHBondContact OD2-NZ 3.25Å; D142-E378 PolarHBondContact N-OE2 3.12Å; D142-V379 HydrophobicContact CB-CB 4.45Å; D142-V379 HydrophobicContact CB-CG2 4.4Å; D142-V379 VanDerWaalsContact O-CG2 3.3Å; D142-V379 WeakPolarHBondContact O-CG2 3.46Å; D142-V379 PolarHBondContact O-N 2.97Å
143	L	98.1	Very high	97	Very high	14 Å²	14	60.7 Å²	60.7	7%	0.073	32%	0.321	C	S	.	.			trans	-97.1	34	174.7	-65.8	171	0	0	0	111.8	A145 F285 C286 L289 K290 E378	L143-A145 PolarHBondContact O-N 2.97Å; L143-F285 HydrophobicContact CD2-CE1 4.15Å; L143-C286 HydrophobicContact CB-CB 4.45Å; L143-L289 HydrophobicContact CD1-CD2 3.97Å; L143-L289 HydrophobicContact CD2-CD2 4.21Å; L143-K290 WeakPolarHBondContact O-CE 3.43Å; L143-K290 PolarHBondContact O-NZ 3.13Å; L143-E378 HydrophobicContact CD2-CB 3.95Å; L143-E378 HydrophobicContact CD2-CG 3.67Å
144	N	98.3	Very high	97	Very high	60 Å²	60	61.5 Å²	61.5	32%	0.321	33%	0.326	S	S	.	.			trans	-92	88.8	173.8	-171	1.6	0	0	0	111.6	D142 T146 K147 V379	D142-N144 VanDerWaalsContact C-N 3.33Å; D142-N144 WeakPolarHBondContact OD1-CB 3.34Å; D142-N144 PolarHBondContact OD1-N 3.35Å; D142-N144 VanDerWaalsContact OD1-N 3.09Å; N144-T146 PolarHBondContact O-N 3.49Å; N144-T146 VanDerWaalsContact O-N 3.09Å; N144-T146 PolarHBondContact OD1-N 2.82Å; N144-T146 PolarHBondContact OD1-OG1 3.01Å; N144-K147 HydrophobicContact CB-CD 4.17Å; N144-K147 HydrophobicContact CB-CG 4.31Å; N144-K147 WeakPolarHBondContact O-CB 3.35Å; N144-K147 PolarHBondContact O-N 3.07Å; N144-K147 VanDerWaalsContact O-N 3.16Å; N144-V379 VanDerWaalsContact O-CG2 3.26Å; N144-V379 WeakPolarHBondContact O-CG2 3.3Å
145	A	98	Very high	97	Very high	10 Å²	10	66.9 Å²	66.9	8%	0.083	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-60	-20.7	-177.8	0	0	0	0	0	114.7	L143 K147 I148 F282 E283 C286	L143-A145 PolarHBondContact O-N 2.97Å; A145-K147 PolarHBondContact O-N 3.14Å; A145-I148 WeakPolarHBondContact O-CB 3.44Å; A145-I148 PolarHBondContact O-N 3.04Å; A145-I148 VanDerWaalsContact O-N 3.14Å; A145-F282 HydrophobicContact CB-CD1 3.82Å; A145-F282 HydrophobicContact CB-CE1 4.13Å; A145-E283 HydrophobicContact CB-CB 4.32Å; A145-E283 HydrophobicContact CB-CG 3.74Å; A145-C286 HydrophobicContact CB-CB 4.21Å
146	T	97.9	Very high	97	Very high	107 Å²	107	67.8 Å²	67.8	66%	0.656	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-66.9	-19.3	179.1	69.7	0	0	0	0	112.9	N144 I148	N144-T146 PolarHBondContact O-N 3.49Å; N144-T146 VanDerWaalsContact O-N 3.09Å; N144-T146 PolarHBondContact OD1-N 2.82Å; N144-T146 PolarHBondContact OD1-OG1 3.01Å; T146-I148 VanDerWaalsContact C-N 3.26Å; T146-I148 PolarHBondContact O-N 2.9Å
147	K	98.4	Very high	97.1	Very high	105 Å²	105	63 Å²	63	46%	0.457	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-74.6	-13.2	176.4	-64.1	-179.3	-178.2	173.3	0	113.6	D142 N144 A145 Q149 V379	D142-K147 IonicContact OD1-NZ 2.63Å; D142-K147 PolarHBondContact OD1-NZ 3Å; D142-K147 WeakPolarHBondContact OD2-CD 3.36Å; D142-K147 IonicContact OD2-NZ 3.81Å; D142-K147 PolarHBondContact OD2-NZ 3.25Å; N144-K147 HydrophobicContact CB-CD 4.17Å; N144-K147 HydrophobicContact CB-CG 4.31Å; N144-K147 WeakPolarHBondContact O-CB 3.35Å; N144-K147 PolarHBondContact O-N 3.07Å; N144-K147 VanDerWaalsContact O-N 3.16Å; A145-K147 PolarHBondContact O-N 3.14Å; K147-Q149 PolarHBondContact O-N 3.25Å; K147-V379 HydrophobicContact CB-CG1 3.73Å; K147-V379 HydrophobicContact CB-CG2 4.3Å; K147-V379 HydrophobicContact CD-CG1 4.31Å
148	I	98.1	Very high	97.1	Very high	4 Å²	4	60 Å²	60	2%	0.021	31%	0.308	C	S	.	.			trans	-67.9	121.6	177.7	-63.6	-54.8	0	0	0	109.9	A145 T146 K279 F282 V379 V382 I386	A145-I148 WeakPolarHBondContact O-CB 3.44Å; A145-I148 PolarHBondContact O-N 3.04Å; A145-I148 VanDerWaalsContact O-N 3.14Å; T146-I148 VanDerWaalsContact C-N 3.26Å; T146-I148 PolarHBondContact O-N 2.9Å; I148-K279 HydrophobicContact CG2-CB 4.32Å; I148-K279 HydrophobicContact CG2-CG 4.29Å; I148-K279 PolarHBondContact O-NZ 3.14Å; I148-F282 HydrophobicContact CD1-CD1 3.99Å; I148-F282 HydrophobicContact CD1-CE1 3.93Å; I148-F282 HydrophobicContact CG1-CD1 3.45Å; I148-F282 VanDerWaalsContact CG1-CD1 3.45Å; I148-F282 HydrophobicContact CG1-CE1 3.76Å; I148-F282 HydrophobicContact CG1-CG 4.5Å; I148-V379 HydrophobicContact CD1-CB 4.49Å; I148-V379 HydrophobicContact CD1-CG1 4.19Å; I148-V382 HydrophobicContact CD1-CB 3.88Å; I148-V382 HydrophobicContact CD1-CG1 3.69Å; I148-V382 HydrophobicContact CG1-CG1 4.3Å; I148-I386 HydrophobicContact CG2-CD1 3.39Å
149	Q	95.8	Very high	97	Very high	144 Å²	144	57 Å²	57	67%	0.673	30%	0.298	S	S	*	.			trans	-100.8	140.2	175.9	-61.2	-175.4	1.1	0	0	109.5	K147 Q383	K147-Q149 PolarHBondContact O-N 3.25Å; Q149-Q383 PolarHBondContact O-NE2 2.94Å; Q149-Q383 VanDerWaalsContact O-NE2 3.1Å; Q149-Q383 PolarHBondContact O-OE1 3.2Å
150	S	88.8	Confident	96.9	Very high	92 Å²	92	57.3 Å²	57.3	64%	0.643	30%	0.301	S	S	*	.			trans	54.8	-149.5	-167.2	-52.8	0	0	0	0	109.9
151	G	91.9	Very high	96.9	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.			trans	112.3	15.8	177.1	0	0	0	0	0	114.8	N277 M278 K279	G151-N277 CarbonylContact O-C 3.6Å; G151-M278 PolarHBondContact O-N 2.98Å; G151-K279 PolarHBondContact O-N 3.2Å
152	V	97.6	Very high	96.9	Very high	98 Å²	98	54.7 Å²	54.7	59%	0.594	28%	0.279	S	S	*	.	B	Isolated β-bridge	trans	-114.4	116.5	162.4	-175.5	0	0	0	0	107.8	G276	V152-G276 WeakPolarHBondContact CA-O 3.11Å
153	F	98.3	Very high	96.9	Very high	7 Å²	7	53 Å²	53	3%	0.031	27%	0.27	C	S	.	.			trans	-88.9	162.4	179.3	-58.1	-59.3	0	0	0	112.6	E155 V158 G276 M278 V327 I386 V389 I393	F153-E155 PolarHBondContact O-N 3.39Å; F153-E155 VanDerWaalsContact O-N 3.17Å; F153-V158 HydrophobicContact CB-CB 3.94Å; F153-V158 HydrophobicContact CB-CG1 4.38Å; F153-V158 HydrophobicContact CB-CG2 3.62Å; F153-V158 HydrophobicContact CD2-CG1 4.16Å; F153-V158 HydrophobicContact CD2-CG2 4.16Å; F153-V158 HydrophobicContact CG-CG2 4Å; F153-G276 WeakPolarHBondContact CD2-O 3.4Å; F153-G276 PolarHBondContact N-O 2.75Å; F153-M278 HydrophobicContact CD2-CB 4.3Å; F153-M278 HydrophobicContact CE2-CB 3.59Å; F153-M278 HydrophobicContact CE2-CE 4.18Å; F153-M278 HydrophobicContact CE2-CG 4.26Å; F153-M278 HydrophobicContact CZ-CB 4.16Å; F153-V327 HydrophobicContact CD2-CG1 3.88Å; F153-V327 HydrophobicContact CE2-CG1 3.51Å; F153-V327 HydrophobicContact CZ-CG1 4.37Å; F153-I386 HydrophobicContact CE1-CB 4.36Å; F153-I386 HydrophobicContact CE1-CG1 4.38Å; F153-I386 HydrophobicContact CE1-CG2 4.31Å; F153-I386 HydrophobicContact CZ-CB 4.34Å; F153-I386 HydrophobicContact CZ-CG1 3.96Å; F153-V389 HydrophobicContact CD1-CB 4.35Å; F153-V389 HydrophobicContact CD1-CG1 3.82Å; F153-V389 HydrophobicContact CE1-CB 3.74Å; F153-V389 HydrophobicContact CE1-CG1 3.7Å; F153-V389 HydrophobicContact CE2-CG1 4.41Å; F153-V389 HydrophobicContact CG-CG1 4.25Å; F153-V389 HydrophobicContact CZ-CB 3.97Å; F153-V389 HydrophobicContact CZ-CG1 4.01Å; F153-V389 HydrophobicContact CZ-CG2 4.47Å; F153-I393 HydrophobicContact CB-CD1 4.42Å
154	D	97.9	Very high	96.9	Very high	38 Å²	38	53.8 Å²	53.8	20%	0.203	27%	0.272	C	S	.	.			trans	-69.5	106.4	171.4	-170	-26.4	0	0	0	110.3	R156 Y157 V158 I393 K397	D154-R156 PolarHBondContact O-N 2.64Å; D154-R156 VanDerWaalsContact O-N 3.12Å; D154-R156 VanDerWaalsContact OD1-CB 3.28Å; D154-R156 WeakPolarHBondContact OD1-CB 3.38Å; D154-R156 WeakPolarHBondContact OD1-CG 3.28Å; D154-R156 IonicContact OD1-CZ 3.25Å; D154-R156 PolarHBondContact OD1-N 3.16Å; D154-R156 VanDerWaalsContact OD1-N 3.14Å; D154-R156 IonicContact OD1-NE 3.13Å; D154-R156 PolarHBondContact OD1-NE 3.15Å; D154-R156 IonicContact OD1-NH2 2.76Å; D154-R156 IonicContact OD2-CZ 3.39Å; D154-R156 IonicContact OD2-NE 2.65Å; D154-R156 PolarHBondContact OD2-NE 2.88Å; D154-R156 IonicContact OD2-NH2 3.73Å; D154-R156 PolarHBondContact OD2-NH2 3.47Å; D154-Y157 HydrophobicContact CB-CD2 4.03Å; D154-Y157 PolarHBondContact O-N 2.91Å; D154-V158 PolarHBondContact O-N 2.95Å; D154-I393 HydrophobicContact CB-CG2 4.32Å; D154-K397 WeakPolarHBondContact OD2-CE 3.37Å; D154-K397 IonicContact OD2-NZ 3.36Å; D154-K397 PolarHBondContact OD2-NZ 3.36Å
155	E	97.4	Very high	96.9	Very high	118 Å²	118	51 Å²	51	55%	0.551	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-10	-175.1	-57.4	-162.3	151.5	0	0	113.7	F153 Y157 G275 G276	F153-E155 PolarHBondContact O-N 3.39Å; F153-E155 VanDerWaalsContact O-N 3.17Å; E155-Y157 PolarHBondContact O-N 3.44Å; E155-G275 WeakPolarHBondContact OE1-CA 3.46Å; E155-G276 PolarHBondContact OE1-N 2.81Å
156	R	97.3	Very high	96.9	Very high	160 Å²	160	50.5 Å²	50.5	60%	0.604	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-26	167.7	-62.4	179.2	-64.6	169.3	-0.2	111.7	D154 K330	D154-R156 PolarHBondContact O-N 2.64Å; D154-R156 VanDerWaalsContact O-N 3.12Å; D154-R156 VanDerWaalsContact OD1-CB 3.28Å; D154-R156 WeakPolarHBondContact OD1-CB 3.38Å; D154-R156 WeakPolarHBondContact OD1-CG 3.28Å; D154-R156 IonicContact OD1-CZ 3.25Å; D154-R156 PolarHBondContact OD1-N 3.16Å; D154-R156 VanDerWaalsContact OD1-N 3.14Å; D154-R156 IonicContact OD1-NE 3.13Å; D154-R156 PolarHBondContact OD1-NE 3.15Å; D154-R156 IonicContact OD1-NH2 2.76Å; D154-R156 IonicContact OD2-CZ 3.39Å; D154-R156 IonicContact OD2-NE 2.65Å; D154-R156 PolarHBondContact OD2-NE 2.88Å; D154-R156 IonicContact OD2-NH2 3.73Å; D154-R156 PolarHBondContact OD2-NH2 3.47Å; R156-K330 WeakPolarHBondContact O-CE 3.5Å; R156-K330 PolarHBondContact O-NZ 2.72Å
157	Y	98.1	Very high	97	Very high	15 Å²	15	45.4 Å²	45.4	6%	0.059	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-46	179.6	-58.6	-91.3	0	0	0	111.6	D154 E155 V329 K330 I393 E396 K397 E400	D154-Y157 HydrophobicContact CB-CD2 4.03Å; D154-Y157 PolarHBondContact O-N 2.91Å; E155-Y157 PolarHBondContact O-N 3.44Å; Y157-V329 WeakPolarHBondContact O-CA 3.44Å; Y157-K330 PolarHBondContact O-N 3.41Å; Y157-I393 HydrophobicContact CD2-CG2 3.77Å; Y157-I393 HydrophobicContact CE2-CG2 4.11Å; Y157-I393 HydrophobicContact CG-CG1 4.39Å; Y157-I393 HydrophobicContact CG-CG2 4.13Å; Y157-E396 HydrophobicContact CD1-CB 4.47Å; Y157-E396 HydrophobicContact CD1-CG 3.99Å; Y157-E396 HydrophobicContact CE1-CB 4.21Å; Y157-E396 HydrophobicContact CE1-CG 3.63Å; Y157-K397 HydrophobicContact CE2-CD 4.41Å; Y157-K397 HydrophobicContact CE2-CG 4.09Å; Y157-K397 VanDerWaalsContact OH-CG 3.24Å; Y157-K397 WeakPolarHBondContact OH-CG 3.24Å; Y157-E400 WeakPolarHBondContact CE1-OE1 3.31Å; Y157-E400 PolarHBondContact OH-OE1 3.1Å; Y157-E400 PolarHBondContact OH-OE2 2.83Å
158	V	97.9	Very high	97	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	117.7	-178	175.8	0	0	0	0	111.3	F153 D154 V327 H328 V329 V389 I393	F153-V158 HydrophobicContact CB-CB 3.94Å; F153-V158 HydrophobicContact CB-CG1 4.38Å; F153-V158 HydrophobicContact CB-CG2 3.62Å; F153-V158 HydrophobicContact CD2-CG1 4.16Å; F153-V158 HydrophobicContact CD2-CG2 4.16Å; F153-V158 HydrophobicContact CG-CG2 4Å; D154-V158 PolarHBondContact O-N 2.95Å; V158-V327 HydrophobicContact CG1-CB 3.94Å; V158-V327 HydrophobicContact CG1-CG1 3.88Å; V158-V327 HydrophobicContact CG2-CB 4.46Å; V158-V327 HydrophobicContact CG2-CG2 4.49Å; V158-H328 CarbonylContact C-O 3.52Å; V158-H328 WeakPolarHBondContact CA-O 3.38Å; V158-V329 HydrophobicContact CG2-CB 4.29Å; V158-V329 HydrophobicContact CG2-CG2 4.06Å; V158-V389 HydrophobicContact CG2-CG1 4.1Å; V158-I393 HydrophobicContact CG2-CD1 3.93Å
159	L	95.9	Very high	97	Very high	69 Å²	69	40.3 Å²	40.3	36%	0.361	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-32.7	-177.1	-55	-179.3	0	0	0	112.9	G275 H328 K330 V365	L159-G275 PolarHBondContact O-N 2.86Å; L159-H328 HydrophobicContact CB-CB 4.19Å; L159-H328 PolarHBondContact N-O 2.88Å; L159-K330 HydrophobicContact CD1-CG 4.27Å; L159-K330 HydrophobicContact CD2-CD 4.13Å; L159-K330 HydrophobicContact CD2-CG 4.39Å; L159-K330 HydrophobicContact CG-CG 4.4Å; L159-V365 HydrophobicContact CD1-CG1 3.98Å; L159-V365 HydrophobicContact CD1-CG2 4.04Å
160	S	95.8	Very high	97.2	Very high	18 Å²	18	35 Å²	35	13%	0.126	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	151.7	179.9	55.8	0	0	0	0	111.1	E273 G275 V327 H328	S160-E273 WeakPolarHBondContact CA-O 3.39Å; S160-E273 WeakPolarHBondContact CB-O 3.37Å; S160-G275 CarbonylContact C-O 3.51Å; S160-G275 WeakPolarHBondContact CA-O 3.42Å; S160-V327 VanDerWaalsContact O-CA 3.24Å; S160-V327 WeakPolarHBondContact O-CA 3.49Å; S160-H328 PolarHBondContact O-N 2.73Å; S160-H328 PolarHBondContact OG-ND1 2.67Å
161	S	97.8	Very high	97.6	Very high	1 Å²	1	33 Å²	33	1%	0.007	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	138.5	178.8	-61.7	0	0	0	0	109.8	M272 E273 G275	S161-M272 VanDerWaalsContact O-CA 3.3Å; S161-M272 WeakPolarHBondContact O-CA 3.41Å; S161-E273 PolarHBondContact N-O 3.24Å; S161-E273 PolarHBondContact O-N 3.03Å; S161-G275 PolarHBondContact N-O 3.01Å; S161-G275 PolarHBondContact OG-O 3.5Å
162	R	97.8	Very high	97.9	Very high	53 Å²	53	33.8 Å²	33.8	20%	0.2	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	137.6	-176.7	175.9	168.3	-179.7	-110.5	7.5	111.9	I270 S271 M272 A325 G326	R162-I270 HydrophobicContact CG-CG2 4.1Å; R162-S271 CarbonylContact C-O 3.52Å; R162-S271 WeakPolarHBondContact CA-O 3.41Å; R162-M272 HydrophobicContact CB-CB 3.9Å; R162-M272 HydrophobicContact CG-CB 3.96Å; R162-A325 CarbonylContact O-C 3.58Å; R162-A325 WeakPolarHBondContact O-CA 3.17Å; R162-G326 PolarHBondContact N-O 3.08Å; R162-G326 PolarHBondContact O-N 3.44Å
163	V	98.4	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128.1	168.8	-176.6	0	0	0	0	108.4	I270 S271 M278 V281 F282 F285 L323 A325	V163-I270 WeakPolarHBondContact O-CA 3.24Å; V163-S271 PolarHBondContact N-O 3.11Å; V163-S271 PolarHBondContact O-N 3.09Å; V163-M278 HydrophobicContact CG2-SD 3.58Å; V163-M278 VanDerWaalsContact CG2-SD 3.58Å; V163-V281 HydrophobicContact CB-CG1 4.22Å; V163-V281 HydrophobicContact CG2-CG1 3.82Å; V163-F282 HydrophobicContact CG1-CD2 4.23Å; V163-F282 HydrophobicContact CG2-CD2 4.37Å; V163-F285 HydrophobicContact CB-CB 4.45Å; V163-F285 HydrophobicContact CB-CD2 4.14Å; V163-F285 HydrophobicContact CB-CG 4.19Å; V163-F285 HydrophobicContact CG1-CB 4.47Å; V163-F285 HydrophobicContact CG1-CD1 3.89Å; V163-F285 HydrophobicContact CG1-CD2 3.79Å; V163-F285 HydrophobicContact CG1-CE1 3.99Å; V163-F285 HydrophobicContact CG1-CE2 3.9Å; V163-F285 HydrophobicContact CG1-CG 3.78Å; V163-F285 HydrophobicContact CG1-CZ 3.98Å; V163-L323 HydrophobicContact CG1-CD1 3.84Å; V163-L323 HydrophobicContact CG1-CG 4.03Å; V163-A325 HydrophobicContact CG1-CB 4.48Å; V163-A325 HydrophobicContact CG2-CB 3.95Å
164	R	97.8	Very high	98	Very high	30 Å²	30	29 Å²	29	11%	0.113	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	153.8	173.9	67	166.1	-177.2	-176.2	7.6	112.2	V269 I270 L323 R324	R164-V269 CarbonylContact C-O 3.59Å; R164-V269 WeakPolarHBondContact CA-O 3.45Å; R164-I270 HydrophobicContact CB-CG1 3.89Å; R164-L323 CarbonylContact O-C 3.55Å; R164-L323 VanDerWaalsContact O-CA 3.27Å; R164-L323 WeakPolarHBondContact O-CA 3.32Å; R164-R324 HydrophobicContact CG-CB 3.79Å; R164-R324 PolarHBondContact N-O 3.4Å; R164-R324 PolarHBondContact O-N 3.19Å
165	T	98.6	Very high	98.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	179.3	164.1	-168	0	0	0	0	110.4	R167 R268 V269 F285 L289 T321 G322	T165-R167 PolarHBondContact OG1-NH1 2.97Å; T165-R268 CarbonylContact O-C 3.58Å; T165-R268 VanDerWaalsContact O-CA 3.31Å; T165-R268 WeakPolarHBondContact O-CA 3.4Å; T165-R268 WeakPolarHBondContact O-CD 3.34Å; T165-V269 HydrophobicContact CG2-CB 4.28Å; T165-V269 PolarHBondContact N-O 2.94Å; T165-V269 PolarHBondContact O-N 3.35Å; T165-F285 HydrophobicContact CG2-CE2 3.84Å; T165-F285 HydrophobicContact CG2-CZ 3.46Å; T165-F285 VanDerWaalsContact CG2-CZ 3.46Å; T165-L289 HydrophobicContact CG2-CD1 4.2Å; T165-L289 HydrophobicContact CG2-CD2 3.98Å; T165-T321 PolarHBondContact OG1-O 2.92Å; T165-G322 WeakPolarHBondContact CA-O 3.4Å
166	G	98.5	Very high	98.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	157.6	164.1	0	0	0	0	0	112.1	T267 L313	G166-T267 CarbonylContact C-O 3.58Å; G166-T267 WeakPolarHBondContact CA-O 3.45Å; G166-L313 VanDerWaalsContact C-CD2 3.42Å
167	R	98.8	Very high	98.2	Very high	1 Å²	1	16 Å²	16	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140.5	167.8	-63.8	-69.5	-179.7	-98.1	12.3	110.2	T165 T267 L289 F303 Y311	T165-R167 PolarHBondContact OG1-NH1 2.97Å; R167-T267 WeakPolarHBondContact CB-OG1 3.35Å; R167-T267 PolarHBondContact N-O 3.27Å; R167-T267 VanDerWaalsContact N-O 3.11Å; R167-T267 PolarHBondContact N-OG1 3.48Å; R167-T267 PolarHBondContact O-N 2.93Å; R167-T267 VanDerWaalsContact O-N 3.09Å; R167-T267 PolarHBondContact O-OG1 3.48Å; R167-L289 HydrophobicContact CG-CD1 4.05Å; R167-F303 HydrophobicContact CB-CD1 3.65Å; R167-F303 HydrophobicContact CB-CD2 4.31Å; R167-F303 HydrophobicContact CB-CE1 3.46Å; R167-F303 VanDerWaalsContact CB-CE1 3.46Å; R167-F303 HydrophobicContact CB-CE2 4.14Å; R167-F303 HydrophobicContact CB-CG 4.08Å; R167-F303 HydrophobicContact CB-CZ 3.72Å; R167-F303 HydrophobicContact CG-CD1 4.3Å; R167-F303 HydrophobicContact CG-CD2 4.06Å; R167-F303 HydrophobicContact CG-CE1 4.05Å; R167-F303 HydrophobicContact CG-CE2 3.78Å; R167-F303 HydrophobicContact CG-CG 4.3Å; R167-F303 HydrophobicContact CG-CZ 3.77Å; R167-Y311 VanDerWaalsContact CD-CD1 3.47Å; R167-Y311 VanDerWaalsContact CZ-CD2 3.42Å; R167-Y311 VanDerWaalsContact CZ-CE2 3.47Å; R167-Y311 VanDerWaalsContact NH2-CD2 3.3Å
168	S	98.9	Very high	98.2	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	9%	0.092	C	C	.	.			trans	-111	137.4	176.1	-51.7	0	0	0	0	109.9	L174 F303 M304 I312 L313	S168-L174 WeakPolarHBondContact OG-CD2 3.46Å; S168-F303 CarbonylContact O-C 3.44Å; S168-F303 VanDerWaalsContact O-CA 3.23Å; S168-F303 WeakPolarHBondContact O-CA 3.37Å; S168-M304 VanDerWaalsContact CB-SD 3.5Å; S168-M304 PolarHBondContact O-N 3.4Å; S168-I312 WeakPolarHBondContact CB-O 2.94Å; S168-I312 PolarHBondContact OG-O 3.18Å; S168-L313 WeakPolarHBondContact OG-CD2 3.37Å
169	I	98.9	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-83.7	120.8	178.1	-52	-60.7	0	0	0	108.7	L172 V190 H266 I296 W301 F303 M304	I169-L172 HydrophobicContact CB-CD1 4.22Å; I169-L172 HydrophobicContact CG2-CD1 3.96Å; I169-L172 PolarHBondContact O-N 3.46Å; I169-V190 HydrophobicContact CD1-CG2 4.27Å; I169-V190 HydrophobicContact CG1-CG2 4.38Å; I169-H266 PolarHBondContact N-ND1 3.29Å; I169-I296 HydrophobicContact CD1-CD1 3.96Å; I169-I296 HydrophobicContact CD1-CG2 4.29Å; I169-W301 HydrophobicContact CG2-CB 4.33Å; I169-W301 HydrophobicContact CG2-CD2 4.03Å; I169-W301 HydrophobicContact CG2-CE3 3.38Å; I169-W301 HydrophobicContact CG2-CG 4.44Å; I169-W301 HydrophobicContact CG2-CZ3 4Å; I169-F303 HydrophobicContact CD1-CD1 3.95Å; I169-F303 HydrophobicContact CD1-CE1 3.73Å; I169-M304 VanDerWaalsContact O-CE 3.23Å; I169-M304 WeakPolarHBondContact O-CE 3.18Å
170	R	98.8	Very high	98.4	Very high	34 Å²	34	22 Å²	22	13%	0.128	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	141.6	-179	176.2	170.3	-77.1	153.8	2.2	111.4	L31 E111 L172 E302 M304 W305	L31-R170 HydrophobicContact CD1-CG 4.06Å; E111-R170 IonicContact OE1-CZ 3.48Å; E111-R170 IonicContact OE1-NE 3.89Å; E111-R170 PolarHBondContact OE1-NE 3.32Å; E111-R170 IonicContact OE1-NH2 3.41Å; E111-R170 PolarHBondContact OE1-NH2 3.01Å; E111-R170 WeakPolarHBondContact OE2-CG 3.37Å; E111-R170 IonicContact OE2-CZ 2.96Å; E111-R170 IonicContact OE2-NE 2.79Å; E111-R170 PolarHBondContact OE2-NE 2.93Å; E111-R170 IonicContact OE2-NH2 3.6Å; R170-L172 VanDerWaalsContact C-N 3.33Å; R170-E302 HydrophobicContact CB-CB 4.23Å; R170-E302 WeakPolarHBondContact CB-O 3.42Å; R170-E302 IonicContact CZ-OE2 2.76Å; R170-E302 PolarHBondContact N-O 3.04Å; R170-E302 IonicContact NH1-OE2 3.23Å; R170-E302 PolarHBondContact NH1-OE2 3Å; R170-M304 HydrophobicContact CB-CG 4.07Å; R170-W305 PolarHBondContact NH2-O 3.48Å
171	G	97.9	Very high	98.6	Very high	50 Å²	50	24.5 Å²	24.5	52%	0.515	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	86	-2.2	179.4	0	0	0	0	0	115
172	L	98.8	Very high	98.6	Very high	15 Å²	15	26.1 Å²	26.1	8%	0.079	15%	0.149	C	C	.	.	S	Bend	trans	-117.2	132.7	175.7	-67.7	166.3	0	0	0	109.3	I169 R170 E182 E185 V186 H266 W301 M304	I169-L172 HydrophobicContact CB-CD1 4.22Å; I169-L172 HydrophobicContact CG2-CD1 3.96Å; I169-L172 PolarHBondContact O-N 3.46Å; R170-L172 VanDerWaalsContact C-N 3.33Å; L172-E182 HydrophobicContact CD2-CB 4.02Å; L172-E182 HydrophobicContact CD2-CG 3.98Å; L172-E185 HydrophobicContact CD1-CB 4.37Å; L172-E185 HydrophobicContact CD1-CG 4.09Å; L172-E185 HydrophobicContact CD2-CB 4.21Å; L172-E185 HydrophobicContact CD2-CG 4.19Å; L172-V186 HydrophobicContact CB-CG2 4.15Å; L172-V186 HydrophobicContact CD1-CG2 3.71Å; L172-H266 PolarHBondContact O-CE1 2.92Å; L172-W301 HydrophobicContact CD1-CE3 4.47Å; L172-W301 HydrophobicContact CD1-CH2 3.97Å; L172-W301 HydrophobicContact CD1-CZ3 3.72Å; L172-W301 HydrophobicContact CG-CH2 4.33Å; L172-W301 HydrophobicContact CG-CZ3 3.97Å; L172-M304 WeakPolarHBondContact O-CE 3.21Å
173	S	98.9	Very high	98.7	Very high	4 Å²	4	23.7 Å²	23.7	3%	0.028	14%	0.14	C	C	.	.			trans	-62.3	148.2	-179.9	-53.1	0	0	0	0	111.7	G109 C178 E182 H266	G109-S173 CarbonylContact O-C 3.43Å; S173-C178 VanDerWaalsContact O-CB 3.29Å; S173-C178 WeakPolarHBondContact O-CB 3.34Å; S173-E182 WeakPolarHBondContact CB-OE1 3.45Å; S173-E182 PolarHBondContact N-OE1 3.22Å; S173-E182 PolarHBondContact OG-OE1 2.96Å; S173-H266 PolarHBondContact O-NE2 3.49Å
174	L	98.9	Very high	98.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.			trans	-70.6	163.4	178.8	-61	174.5	0	0	0	111.5	A108 G109 S168 P176 A177 C178 M304	A108-L174 HydrophobicContact CB-CD1 3.87Å; G109-L174 WeakPolarHBondContact O-CB 3.33Å; G109-L174 PolarHBondContact O-N 3.03Å; S168-L174 WeakPolarHBondContact OG-CD2 3.46Å; L174-P176 VanDerWaalsContact C-N 3.31Å; L174-P176 WeakPolarHBondContact O-CD 3.24Å; L174-P176 VanDerWaalsContact O-N 3.07Å; L174-A177 PolarHBondContact O-N 2.97Å; L174-C178 PolarHBondContact O-N 2.94Å; L174-M304 HydrophobicContact CD2-CE 4.05Å; L174-M304 HydrophobicContact CD2-SD 3.96Å; L174-M304 HydrophobicContact CG-CE 4.48Å
175	P	98.8	Very high	98.7	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.019	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-35.7	-174.6	-28.9	36.3	0	0	0	117	A177 M239 R241 T314	P175-A177 VanDerWaalsContact C-N 3.27Å; P175-A177 PolarHBondContact O-N 3.27Å; P175-M239 HydrophobicContact CB-CB 4.47Å; P175-M239 HydrophobicContact CB-CE 4.29Å; P175-M239 HydrophobicContact CB-CG 4.27Å; P175-R241 PolarHBondContact O-NH2 2.74Å; P175-T314 WeakPolarHBondContact CD-OG1 3.3Å
176	P	98.8	Very high	98.8	Very high	9 Å²	9	30.4 Å²	30.4	6%	0.058	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-37.8	175.7	-28.7	38.8	0	0	0	113.2	Y83 V107 L174 A237 M239 R241 T314	Y83-P176 HydrophobicContact CE2-CB 4.28Å; Y83-P176 WeakPolarHBondContact OH-CB 3.19Å; V107-P176 HydrophobicContact CB-CG 4.09Å; V107-P176 HydrophobicContact CG2-CB 4.1Å; V107-P176 HydrophobicContact CG2-CG 3.79Å; L174-P176 VanDerWaalsContact C-N 3.31Å; L174-P176 WeakPolarHBondContact O-CD 3.24Å; L174-P176 VanDerWaalsContact O-N 3.07Å; P176-A237 WeakPolarHBondContact CA-O 3.45Å; P176-A237 VanDerWaalsContact CB-O 3.3Å; P176-A237 WeakPolarHBondContact CB-O 3.32Å; P176-M239 HydrophobicContact CG-CG 3.9Å; P176-M239 HydrophobicContact CG-SD 4.28Å; P176-R241 PolarHBondContact O-NH2 3.37Å; P176-T314 VanDerWaalsContact CD-CG2 3.41Å; P176-T314 HydrophobicContact CG-CG2 3.38Å
177	A	98.8	Very high	98.8	Very high	31 Å²	31	32.2 Å²	32.2	26%	0.256	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-21.2	-170.3	0	0	0	0	0	114.2	Y83 G109 L174 P175 T179	Y83-A177 HydrophobicContact CD2-CB 3.49Å; Y83-A177 VanDerWaalsContact CD2-CB 3.49Å; Y83-A177 HydrophobicContact CE2-CB 3.72Å; Y83-A177 HydrophobicContact CG-CB 4.37Å; G109-A177 WeakPolarHBondContact O-CB 3.46Å; L174-A177 PolarHBondContact O-N 2.97Å; P175-A177 VanDerWaalsContact C-N 3.27Å; P175-A177 PolarHBondContact O-N 3.27Å; A177-T179 PolarHBondContact O-N 2.98Å
178	C	98.7	Very high	98.8	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.014	20%	0.195	C	C	.	.			trans	-58.2	137.5	-171.3	72.6	0	0	0	0	113.2	S173 L174 E182 R183 R241	S173-C178 VanDerWaalsContact O-CB 3.29Å; S173-C178 WeakPolarHBondContact O-CB 3.34Å; L174-C178 PolarHBondContact O-N 2.94Å; C178-E182 HydrophobicContact CB-CB 4.16Å; C178-R183 PolarHBondContact SG-NE 3.16Å; C178-R183 PolarHBondContact SG-NH2 2.77Å; C178-R241 PolarHBondContact O-NH1 3.46Å; C178-R241 PolarHBondContact O-NH2 3.46Å
179	T	98.8	Very high	98.8	Very high	73 Å²	73	37.3 Å²	37.3	45%	0.448	20%	0.195	S	C	.	.			trans	-72.9	166.8	168.4	63	0	0	0	0	110.6	A177 A181 E182 R183	A177-T179 PolarHBondContact O-N 2.98Å; T179-A181 PolarHBondContact O-N 2.93Å; T179-E182 WeakPolarHBondContact CG2-OE2 3.43Å; T179-E182 PolarHBondContact N-OE2 3.34Å; T179-E182 PolarHBondContact O-N 3.25Å; T179-E182 WeakPolarHBondContact OG1-CG 3.37Å; T179-E182 PolarHBondContact OG1-N 3.47Å; T179-E182 PolarHBondContact OG1-OE2 3.23Å; T179-R183 WeakPolarHBondContact O-CB 3.38Å; T179-R183 PolarHBondContact O-N 3.38Å
180	R	98.8	Very high	98.7	Very high	137 Å²	137	37.4 Å²	37.4	52%	0.517	20%	0.195	S	C	.	.	H	α-helix	trans	-56.3	-38.1	171.5	-73.7	-177.4	-70.8	-85.8	0.6	112	R184 D242	R180-R184 WeakPolarHBondContact O-CB 3.19Å; R180-R184 WeakPolarHBondContact O-CD 3.29Å; R180-R184 WeakPolarHBondContact O-CG 3.43Å; R180-R184 PolarHBondContact O-N 3.27Å; R180-D242 WeakPolarHBondContact CD-OD1 3.38Å; R180-D242 HydrophobicContact CG-CB 4.12Å; R180-D242 IonicContact CZ-OD1 3.39Å; R180-D242 IonicContact NH1-OD1 2.9Å; R180-D242 PolarHBondContact NH1-OD1 3.09Å
181	A	98.8	Very high	98.7	Very high	70 Å²	70	37.4 Å²	37.4	58%	0.579	20%	0.199	S	C	*	.	H	α-helix	trans	-67	-48.2	-180	0	0	0	0	0	111.9	T179 R183 R184 E185	T179-A181 PolarHBondContact O-N 2.93Å; A181-R183 VanDerWaalsContact C-N 3.32Å; A181-R183 PolarHBondContact O-N 2.81Å; A181-R184 PolarHBondContact O-N 2.72Å; A181-E185 PolarHBondContact O-N 3.05Å
182	E	98.8	Very high	98.8	Very high	36 Å²	36	37.3 Å²	37.3	17%	0.168	19%	0.187	C	C	.	.	H	α-helix	trans	-61.4	-41.4	176.6	-71	168.3	107.6	0	0	111.8	L172 S173 C178 T179 R184 E185 V186	L172-E182 HydrophobicContact CD2-CB 4.02Å; L172-E182 HydrophobicContact CD2-CG 3.98Å; S173-E182 WeakPolarHBondContact CB-OE1 3.45Å; S173-E182 PolarHBondContact N-OE1 3.22Å; S173-E182 PolarHBondContact OG-OE1 2.96Å; C178-E182 HydrophobicContact CB-CB 4.16Å; T179-E182 WeakPolarHBondContact CG2-OE2 3.43Å; T179-E182 PolarHBondContact N-OE2 3.34Å; T179-E182 PolarHBondContact O-N 3.25Å; T179-E182 WeakPolarHBondContact OG1-CG 3.37Å; T179-E182 PolarHBondContact OG1-N 3.47Å; T179-E182 PolarHBondContact OG1-OE2 3.23Å; E182-R184 PolarHBondContact O-N 2.8Å; E182-E185 PolarHBondContact O-N 3.04Å; E182-E185 VanDerWaalsContact O-N 3.16Å; E182-V186 WeakPolarHBondContact O-CG2 3.33Å; E182-V186 PolarHBondContact O-N 3.46Å
183	R	98.9	Very high	98.7	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-44.3	177.9	-166.7	-177.7	-64.6	125	2.9	112.4	C178 T179 A181 E185 V186 E187 R241 D242 D245 A246 R247 N262	C178-R183 PolarHBondContact SG-NE 3.16Å; C178-R183 PolarHBondContact SG-NH2 2.77Å; T179-R183 WeakPolarHBondContact O-CB 3.38Å; T179-R183 PolarHBondContact O-N 3.38Å; A181-R183 VanDerWaalsContact C-N 3.32Å; A181-R183 PolarHBondContact O-N 2.81Å; R183-E185 VanDerWaalsContact C-N 3.29Å; R183-E185 PolarHBondContact O-N 2.86Å; R183-V186 WeakPolarHBondContact O-CB 3.44Å; R183-V186 PolarHBondContact O-N 2.89Å; R183-E187 PolarHBondContact O-N 3.31Å; R183-R241 PolarHBondContact NH1-O 3.23Å; R183-D242 IonicContact CZ-OD2 2.66Å; R183-D242 IonicContact NH1-OD2 3.97Å; R183-D242 PolarHBondContact NH1-OD2 2.87Å; R183-D242 IonicContact NH2-OD2 2.98Å; R183-D245 WeakPolarHBondContact CD-O 3.33Å; R183-A246 HydrophobicContact CB-CB 4.41Å; R183-A246 HydrophobicContact CG-CB 3.9Å; R183-R247 VanDerWaalsContact NE-CZ 3.34Å; R183-N262 HydrophobicContact CG-CB 3.92Å; R183-N262 WeakPolarHBondContact CG-ND2 3.09Å; R183-N262 PolarHBondContact O-ND2 3.23Å
184	R	98.8	Very high	98.7	Very high	121 Å²	121	36.5 Å²	36.5	46%	0.457	18%	0.182	S	C	.	.	H	α-helix	trans	-64.2	-34.2	174.3	-71.1	164.3	-175	-174.5	-7	111.9	R180 A181 E182 E187 R188 D245 A246	R180-R184 WeakPolarHBondContact O-CB 3.19Å; R180-R184 WeakPolarHBondContact O-CD 3.29Å; R180-R184 WeakPolarHBondContact O-CG 3.43Å; R180-R184 PolarHBondContact O-N 3.27Å; A181-R184 PolarHBondContact O-N 2.72Å; E182-R184 PolarHBondContact O-N 2.8Å; R184-E187 PolarHBondContact O-N 3.04Å; R184-R188 WeakPolarHBondContact O-CB 3.31Å; R184-R188 PolarHBondContact O-N 3.5Å; R184-D245 IonicContact CZ-OD1 3.76Å; R184-D245 IonicContact CZ-OD2 2.89Å; R184-D245 IonicContact NE-OD1 3.94Å; R184-D245 PolarHBondContact NE-OD1 3.22Å; R184-D245 IonicContact NE-OD2 2.73Å; R184-D245 PolarHBondContact NE-OD2 3.24Å; R184-D245 IonicContact NH2-OD1 3.47Å; R184-D245 IonicContact NH2-OD2 3.27Å; R184-D245 PolarHBondContact NH2-OD2 2.72Å; R184-A246 HydrophobicContact CB-CB 4.38Å; R184-A246 HydrophobicContact CG-CB 3.71Å
185	E	98.9	Very high	98.7	Very high	50 Å²	50	40.8 Å²	40.8	23%	0.234	21%	0.212	C	C	.	.	H	α-helix	trans	-69.6	-39.8	175.4	-172.6	62.7	-176.2	0	0	111.8	L172 A181 E182 R183 E187 R188 V189 W301	L172-E185 HydrophobicContact CD1-CB 4.37Å; L172-E185 HydrophobicContact CD1-CG 4.09Å; L172-E185 HydrophobicContact CD2-CB 4.21Å; L172-E185 HydrophobicContact CD2-CG 4.19Å; A181-E185 PolarHBondContact O-N 3.05Å; E182-E185 PolarHBondContact O-N 3.04Å; E182-E185 VanDerWaalsContact O-N 3.16Å; R183-E185 VanDerWaalsContact C-N 3.29Å; R183-E185 PolarHBondContact O-N 2.86Å; E185-E187 VanDerWaalsContact C-N 3.34Å; E185-E187 PolarHBondContact O-N 3.38Å; E185-R188 PolarHBondContact O-N 2.78Å; E185-R188 IonicContact OE1-CZ 3.17Å; E185-R188 IonicContact OE1-NE 2.73Å; E185-R188 PolarHBondContact OE1-NE 2.84Å; E185-R188 IonicContact OE1-NH2 3.12Å; E185-R188 PolarHBondContact OE1-NH2 3.39Å; E185-R188 IonicContact OE2-CZ 3.85Å; E185-R188 IonicContact OE2-NE 2.91Å; E185-R188 PolarHBondContact OE2-NE 3.34Å; E185-R188 IonicContact OE2-NH2 3.34Å; E185-V189 HydrophobicContact CG-CG2 4.32Å; E185-V189 WeakPolarHBondContact O-CB 3.41Å; E185-V189 VanDerWaalsContact O-CG2 3.23Å; E185-V189 WeakPolarHBondContact O-CG2 3.33Å; E185-V189 PolarHBondContact O-N 3.49Å; E185-W301 HydrophobicContact CG-CH2 4.05Å; E185-W301 HydrophobicContact CG-CZ2 4.17Å; E185-W301 WeakPolarHBondContact OE1-CZ2 3.36Å
186	V	98.9	Very high	98.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-56.4	-49.5	169.6	172.5	0	0	0	0	110.6	L172 E182 R183 R188 V189 V190 N262 H266	L172-V186 HydrophobicContact CB-CG2 4.15Å; L172-V186 HydrophobicContact CD1-CG2 3.71Å; E182-V186 WeakPolarHBondContact O-CG2 3.33Å; E182-V186 PolarHBondContact O-N 3.46Å; R183-V186 WeakPolarHBondContact O-CB 3.44Å; R183-V186 PolarHBondContact O-N 2.89Å; V186-R188 PolarHBondContact O-N 2.63Å; V186-V189 PolarHBondContact O-N 3.33Å; V186-V190 HydrophobicContact CG1-CG2 4.23Å; V186-V190 WeakPolarHBondContact O-CB 3.2Å; V186-V190 WeakPolarHBondContact O-CG2 3.45Å; V186-V190 PolarHBondContact O-N 2.97Å; V186-N262 VanDerWaalsContact CG1-OD1 3.26Å; V186-N262 WeakPolarHBondContact CG1-OD1 3.22Å; V186-H266 HydrophobicContact CG1-CB 3.62Å; V186-H266 HydrophobicContact CG2-CB 4.49Å; V186-H266 WeakPolarHBondContact CG2-ND1 3.13Å
187	E	98.9	Very high	98.6	Very high	37 Å²	37	41.8 Å²	41.8	17%	0.173	22%	0.223	C	C	.	.	H	α-helix	trans	-57.5	-50.7	178.5	178.4	-173	-130.7	0	0	111	R183 R184 E185 V190 V191 Y205 A246 I261	R183-E187 PolarHBondContact O-N 3.31Å; R184-E187 PolarHBondContact O-N 3.04Å; E185-E187 VanDerWaalsContact C-N 3.34Å; E185-E187 PolarHBondContact O-N 3.38Å; E187-V190 PolarHBondContact O-N 2.91Å; E187-V191 HydrophobicContact CG-CG2 4.22Å; E187-V191 VanDerWaalsContact O-CB 3.31Å; E187-V191 WeakPolarHBondContact O-CB 3.46Å; E187-V191 WeakPolarHBondContact O-CG2 3.48Å; E187-V191 PolarHBondContact O-N 2.99Å; E187-Y205 PolarHBondContact OE1-OH 2.83Å; E187-A246 HydrophobicContact CB-CB 4.15Å; E187-A246 WeakPolarHBondContact OE1-CA 3.4Å; E187-A246 WeakPolarHBondContact OE2-CA 3.25Å; E187-A246 WeakPolarHBondContact OE2-CB 3.09Å; E187-I261 HydrophobicContact CB-CG2 4.33Å
188	R	98.8	Very high	98.6	Very high	109 Å²	109	48.6 Å²	48.6	41%	0.411	25%	0.246	S	C	.	.	H	α-helix	trans	-56.6	-54.7	179.2	-169.4	-166.9	69.7	75	-4.7	111.4	R184 E185 V186 V190 V191 D192	R184-R188 WeakPolarHBondContact O-CB 3.31Å; R184-R188 PolarHBondContact O-N 3.5Å; E185-R188 PolarHBondContact O-N 2.78Å; E185-R188 IonicContact OE1-CZ 3.17Å; E185-R188 IonicContact OE1-NE 2.73Å; E185-R188 PolarHBondContact OE1-NE 2.84Å; E185-R188 IonicContact OE1-NH2 3.12Å; E185-R188 PolarHBondContact OE1-NH2 3.39Å; E185-R188 IonicContact OE2-CZ 3.85Å; E185-R188 IonicContact OE2-NE 2.91Å; E185-R188 PolarHBondContact OE2-NE 3.34Å; E185-R188 IonicContact OE2-NH2 3.34Å; V186-R188 PolarHBondContact O-N 2.63Å; R188-V190 VanDerWaalsContact C-N 3.34Å; R188-V190 PolarHBondContact O-N 2.9Å; R188-V191 PolarHBondContact O-N 3.34Å; R188-D192 IonicContact NH1-OD2 3.72Å; R188-D192 PolarHBondContact NH1-OD2 3.5Å; R188-D192 WeakPolarHBondContact O-CB 3.33Å; R188-D192 VanDerWaalsContact O-CG 3.27Å; R188-D192 PolarHBondContact O-N 3.06Å
189	V	98.6	Very high	98.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.006	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-45.3	-177.8	169.7	0	0	0	0	111.5	E185 V186 A193 W301	E185-V189 HydrophobicContact CG-CG2 4.32Å; E185-V189 WeakPolarHBondContact O-CB 3.41Å; E185-V189 VanDerWaalsContact O-CG2 3.23Å; E185-V189 WeakPolarHBondContact O-CG2 3.33Å; E185-V189 PolarHBondContact O-N 3.49Å; V186-V189 PolarHBondContact O-N 3.33Å; V189-A193 PolarHBondContact O-N 3.34Å; V189-A193 VanDerWaalsContact O-N 3.12Å; V189-W301 HydrophobicContact CG1-CB 4.28Å; V189-W301 HydrophobicContact CG1-CD2 4.18Å; V189-W301 HydrophobicContact CG1-CG 3.81Å; V189-W301 HydrophobicContact CG2-CD2 4.02Å; V189-W301 VanDerWaalsContact CG2-CE2 3.43Å; V189-W301 HydrophobicContact CG2-CG 4.34Å; V189-W301 HydrophobicContact CG2-CH2 4.46Å; V189-W301 HydrophobicContact CG2-CZ2 3.69Å
190	V	98.7	Very high	98.6	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-69.5	-51.8	-178.3	175.7	0	0	0	0	110.2	I169 V186 E187 R188 D192 A193 L194 I261 T267	I169-V190 HydrophobicContact CD1-CG2 4.27Å; I169-V190 HydrophobicContact CG1-CG2 4.38Å; V186-V190 HydrophobicContact CG1-CG2 4.23Å; V186-V190 WeakPolarHBondContact O-CB 3.2Å; V186-V190 WeakPolarHBondContact O-CG2 3.45Å; V186-V190 PolarHBondContact O-N 2.97Å; E187-V190 PolarHBondContact O-N 2.91Å; R188-V190 VanDerWaalsContact C-N 3.34Å; R188-V190 PolarHBondContact O-N 2.9Å; V190-D192 VanDerWaalsContact C-N 3.26Å; V190-D192 PolarHBondContact O-N 2.94Å; V190-A193 WeakPolarHBondContact O-CB 3.26Å; V190-A193 PolarHBondContact O-N 3.45Å; V190-L194 HydrophobicContact CG1-CD1 3.8Å; V190-L194 HydrophobicContact CG1-CG 4.06Å; V190-L194 VanDerWaalsContact O-CG 3.25Å; V190-L194 WeakPolarHBondContact O-CG 3.29Å; V190-L194 PolarHBondContact O-N 2.94Å; V190-I261 HydrophobicContact CB-CD1 4.17Å; V190-I261 HydrophobicContact CG1-CD1 3.6Å; V190-I261 HydrophobicContact CG1-CG1 4.01Å; V190-T267 HydrophobicContact CB-CG2 4.33Å; V190-T267 HydrophobicContact CG1-CG2 3.83Å; V190-T267 HydrophobicContact CG2-CG2 3.53Å
191	V	98.7	Very high	98.6	Very high	35 Å²	35	44.5 Å²	44.5	21%	0.212	25%	0.246	C	C	.	.	H	α-helix	trans	-58	-42	-178.8	171.9	0	0	0	0	111.5	E187 R188 A193 L194 S195 Y205 I261	E187-V191 HydrophobicContact CG-CG2 4.22Å; E187-V191 VanDerWaalsContact O-CB 3.31Å; E187-V191 WeakPolarHBondContact O-CB 3.46Å; E187-V191 WeakPolarHBondContact O-CG2 3.48Å; E187-V191 PolarHBondContact O-N 2.99Å; R188-V191 PolarHBondContact O-N 3.34Å; V191-A193 PolarHBondContact O-N 2.88Å; V191-L194 PolarHBondContact O-N 2.74Å; V191-S195 PolarHBondContact O-N 2.83Å; V191-Y205 HydrophobicContact CG1-CD1 4.05Å; V191-Y205 HydrophobicContact CG1-CG 4.2Å; V191-Y205 HydrophobicContact CG2-CD1 3.67Å; V191-Y205 HydrophobicContact CG2-CD2 3.76Å; V191-Y205 HydrophobicContact CG2-CE1 3.78Å; V191-Y205 HydrophobicContact CG2-CE2 3.87Å; V191-Y205 HydrophobicContact CG2-CG 3.66Å; V191-I261 HydrophobicContact CG2-CD1 3.76Å
192	D	98.3	Very high	98.5	Very high	47 Å²	47	42.3 Å²	42.3	25%	0.251	23%	0.229	S	C	.	.	H	α-helix	trans	-59	-42	174.2	-92.8	0.2	0	0	0	113.2	R188 V190 S195 R299	R188-D192 IonicContact NH1-OD2 3.72Å; R188-D192 PolarHBondContact NH1-OD2 3.5Å; R188-D192 WeakPolarHBondContact O-CB 3.33Å; R188-D192 VanDerWaalsContact O-CG 3.27Å; R188-D192 PolarHBondContact O-N 3.06Å; V190-D192 VanDerWaalsContact C-N 3.26Å; V190-D192 PolarHBondContact O-N 2.94Å; D192-S195 PolarHBondContact O-OG 3.48Å; D192-R299 VanDerWaalsContact CB-CZ 3.45Å; D192-R299 PolarHBondContact O-NH2 2.72Å; D192-R299 IonicContact OD1-NH1 3.25Å; D192-R299 IonicContact OD2-CZ 3.37Å; D192-R299 IonicContact OD2-NH1 3.05Å; D192-R299 PolarHBondContact OD2-NH1 3.18Å
193	A	98.4	Very high	98.5	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-68.1	-43.7	174.5	0	0	0	0	0	110.7	V189 V190 V191 S195 G196 L295 I296	V189-A193 PolarHBondContact O-N 3.34Å; V189-A193 VanDerWaalsContact O-N 3.12Å; V190-A193 WeakPolarHBondContact O-CB 3.26Å; V190-A193 PolarHBondContact O-N 3.45Å; V191-A193 PolarHBondContact O-N 2.88Å; A193-S195 VanDerWaalsContact C-N 3.29Å; A193-S195 PolarHBondContact O-N 3.41Å; A193-G196 PolarHBondContact O-N 3.41Å; A193-L295 HydrophobicContact CB-CB 3.97Å; A193-L295 WeakPolarHBondContact O-CD1 3.24Å; A193-I296 HydrophobicContact CB-CD1 4.43Å; A193-I296 HydrophobicContact CB-CG1 3.52Å
194	L	98.5	Very high	98.4	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-65.7	-28.6	-177.6	-61.9	-175.2	0	0	0	113.5	V190 V191 G196 L197 W250 I259 I261 V292	V190-L194 HydrophobicContact CG1-CD1 3.8Å; V190-L194 HydrophobicContact CG1-CG 4.06Å; V190-L194 VanDerWaalsContact O-CG 3.25Å; V190-L194 WeakPolarHBondContact O-CG 3.29Å; V190-L194 PolarHBondContact O-N 2.94Å; V191-L194 PolarHBondContact O-N 2.74Å; L194-G196 PolarHBondContact O-N 3.03Å; L194-L197 HydrophobicContact CD2-CD1 3.74Å; L194-L197 WeakPolarHBondContact O-CB 3.32Å; L194-L197 PolarHBondContact O-N 3.38Å; L194-L197 VanDerWaalsContact O-N 3.16Å; L194-W250 HydrophobicContact CB-CD2 4.35Å; L194-W250 HydrophobicContact CB-CG 4.2Å; L194-W250 HydrophobicContact CD1-CB 3.57Å; L194-W250 HydrophobicContact CD1-CD2 3.86Å; L194-W250 HydrophobicContact CD1-CE3 4.31Å; L194-W250 HydrophobicContact CD1-CG 3.52Å; L194-W250 HydrophobicContact CG-CG 4.43Å; L194-I259 HydrophobicContact CD1-CB 4.1Å; L194-I259 HydrophobicContact CD1-CD1 3.87Å; L194-I259 HydrophobicContact CD1-CG2 4.19Å; L194-I259 HydrophobicContact CD2-CD1 3.32Å; L194-I259 HydrophobicContact CG-CD1 4.23Å; L194-I261 HydrophobicContact CD1-CD1 4.34Å; L194-V292 HydrophobicContact CD2-CG1 4.26Å; L194-V292 HydrophobicContact CD2-CG2 3.67Å
195	S	98	Very high	98.4	Very high	90 Å²	90	43.3 Å²	43.3	63%	0.629	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-16.9	173.1	74.8	0	0	0	0	113.2	V191 D192 A193	V191-S195 PolarHBondContact O-N 2.83Å; D192-S195 PolarHBondContact O-OG 3.48Å; A193-S195 VanDerWaalsContact C-N 3.29Å; A193-S195 PolarHBondContact O-N 3.41Å
196	G	98.1	Very high	98.3	Very high	24 Å²	24	43 Å²	43	25%	0.247	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-10.9	175.3	0	0	0	0	0	114.4	A193 L194	A193-G196 PolarHBondContact O-N 3.41Å; L194-G196 PolarHBondContact O-N 3.03Å
197	L	98.5	Very high	98.2	Very high	9 Å²	9	44 Å²	44	5%	0.047	25%	0.247	C	C	.	.			trans	-69.3	137.3	179.3	-65.6	176.2	0	0	0	111.4	L194 L201 W250 E291 V292 L295	L194-L197 HydrophobicContact CD2-CD1 3.74Å; L194-L197 WeakPolarHBondContact O-CB 3.32Å; L194-L197 PolarHBondContact O-N 3.38Å; L194-L197 VanDerWaalsContact O-N 3.16Å; L197-L201 HydrophobicContact CB-CB 4.23Å; L197-L201 WeakPolarHBondContact CB-O 3.35Å; L197-L201 HydrophobicContact CD2-CB 4.5Å; L197-W250 HydrophobicContact CB-CZ2 4.46Å; L197-W250 HydrophobicContact CD1-CH2 3.57Å; L197-W250 HydrophobicContact CD1-CZ2 3.61Å; L197-W250 HydrophobicContact CD1-CZ3 4.3Å; L197-E291 HydrophobicContact CD2-CB 4.06Å; L197-E291 HydrophobicContact CD2-CG 3.53Å; L197-V292 HydrophobicContact CD1-CG2 4.11Å; L197-V292 HydrophobicContact CD2-CG2 4.22Å; L197-L295 HydrophobicContact CD2-CD1 3.77Å; L197-L295 HydrophobicContact CG-CD1 4.21Å
198	K	98.3	Very high	98	Very high	174 Å²	174	43.6 Å²	43.6	76%	0.757	25%	0.246	S	C	*	.			trans	-125.9	170	-174.3	-61.9	-178.2	-175.8	177.8	0	111.9	L201 A202	K198-L201 PolarHBondContact O-N 2.84Å; K198-A202 PolarHBondContact O-N 3.03Å
199	G	98.2	Very high	97.8	Very high	62 Å²	62	42.2 Å²	42.2	64%	0.639	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	64.2	-136.5	177.2	0	0	0	0	0	111.8	L201 A202	G199-L201 PolarHBondContact O-N 2.81Å; G199-A202 VanDerWaalsContact O-CB 3.29Å; G199-A202 WeakPolarHBondContact O-CB 3.42Å; G199-A202 PolarHBondContact O-N 3.25Å
200	D	98.2	Very high	97.5	Very high	59 Å²	59	48.9 Å²	48.9	32%	0.316	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-68.9	-11.8	178.3	73.5	-51.8	0	0	0	113.4	N252 R287	D200-N252 WeakPolarHBondContact O-CB 3.46Å; D200-N252 PolarHBondContact O-ND2 3.32Å; D200-R287 IonicContact OD1-CZ 3.61Å; D200-R287 VanDerWaalsContact OD1-CZ 3.28Å; D200-R287 IonicContact OD1-NH1 2.81Å; D200-R287 PolarHBondContact OD1-NH1 3.21Å; D200-R287 IonicContact OD1-NH2 3.7Å; D200-R287 PolarHBondContact OD1-NH2 2.96Å; D200-R287 IonicContact OD2-CZ 2.89Å; D200-R287 IonicContact OD2-NH1 3.75Å; D200-R287 IonicContact OD2-NH2 3.54Å; D200-R287 PolarHBondContact OD2-NH2 3.35Å
201	L	98.6	Very high	97.2	Very high	5 Å²	5	50.1 Å²	50.1	3%	0.026	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-93.4	-3.9	172.1	-61.1	176.2	0	0	0	112.9	L197 K198 G199 W250 F257 R284 R287	L197-L201 HydrophobicContact CB-CB 4.23Å; L197-L201 WeakPolarHBondContact CB-O 3.35Å; L197-L201 HydrophobicContact CD2-CB 4.5Å; K198-L201 PolarHBondContact O-N 2.84Å; G199-L201 PolarHBondContact O-N 2.81Å; L201-W250 WeakPolarHBondContact O-CH2 3.47Å; L201-W250 WeakPolarHBondContact O-CZ2 3.47Å; L201-F257 HydrophobicContact CD2-CB 4.22Å; L201-F257 HydrophobicContact CD2-CD1 3.78Å; L201-F257 HydrophobicContact CD2-CE1 4.33Å; L201-F257 HydrophobicContact CD2-CG 4Å; L201-R284 HydrophobicContact CD2-CG 4.17Å; L201-R287 HydrophobicContact CD1-CG 4.43Å
202	A	98.6	Very high	96.9	Very high	25 Å²	25	51.8 Å²	51.8	21%	0.207	30%	0.302	C	S	.	.			trans	-65.4	141.6	174.7	0	0	0	0	0	110.5	K198 G199 N252 N253	K198-A202 PolarHBondContact O-N 3.03Å; G199-A202 VanDerWaalsContact O-CB 3.29Å; G199-A202 WeakPolarHBondContact O-CB 3.42Å; G199-A202 PolarHBondContact O-N 3.25Å; A202-N252 CarbonylContact O-C 3.56Å; A202-N252 WeakPolarHBondContact O-CA 3.48Å; A202-N252 WeakPolarHBondContact O-CB 3.48Å; A202-N253 PolarHBondContact O-N 3.42Å; A202-N253 PolarHBondContact O-ND2 3.3Å
203	G	97.8	Very high	96.3	Very high	30 Å²	30	57.7 Å²	57.7	31%	0.309	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	-176.2	-171.9	0	0	0	0	0	114.5	H251	G203-H251 CarbonylContact C-O 3.5Å; G203-H251 WeakPolarHBondContact CA-O 3.23Å
204	K	97.2	Very high	95.9	Very high	101 Å²	101	65.5 Å²	65.5	44%	0.439	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	141.5	-178.6	178.9	176.4	165.8	-159.1	0	110.4	Y206 E215 W250 H251	K204-Y206 HydrophobicContact CB-CE2 3.89Å; K204-Y206 HydrophobicContact CD-CE1 3.85Å; K204-Y206 HydrophobicContact CD-CE2 4.13Å; K204-Y206 HydrophobicContact CG-CD2 4.36Å; K204-Y206 HydrophobicContact CG-CE1 4.37Å; K204-Y206 HydrophobicContact CG-CE2 3.85Å; K204-Y206 VanDerWaalsContact NZ-CE1 3.32Å; K204-Y206 WeakPolarHBondContact O-CE2 3.31Å; K204-E215 IonicContact NZ-OE1 2.84Å; K204-E215 PolarHBondContact NZ-OE1 3.48Å; K204-W250 WeakPolarHBondContact O-CA 3.42Å; K204-H251 PolarHBondContact N-O 3.13Å; K204-H251 PolarHBondContact O-N 3.22Å
205	Y	97.9	Very high	95.5	Very high	48 Å²	48	68.1 Å²	68.1	19%	0.188	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	139.7	170.2	176.1	-112.3	0	0	0	110.9	E187 V191 R247 G248 W250 I261	E187-Y205 PolarHBondContact OE1-OH 2.83Å; V191-Y205 HydrophobicContact CG1-CD1 4.05Å; V191-Y205 HydrophobicContact CG1-CG 4.2Å; V191-Y205 HydrophobicContact CG2-CD1 3.67Å; V191-Y205 HydrophobicContact CG2-CD2 3.76Å; V191-Y205 HydrophobicContact CG2-CE1 3.78Å; V191-Y205 HydrophobicContact CG2-CE2 3.87Å; V191-Y205 HydrophobicContact CG2-CG 3.66Å; Y205-R247 PolarHBondContact OH-O 3.03Å; Y205-G248 WeakPolarHBondContact OH-CA 3.44Å; Y205-W250 HydrophobicContact CD2-CB 4.15Å; Y205-I261 HydrophobicContact CD2-CD1 3.9Å; Y205-I261 HydrophobicContact CE2-CD1 3.61Å; Y205-I261 HydrophobicContact CE2-CG1 4.39Å
206	Y	96.8	Very high	94.9	Very high	43 Å²	43	67.9 Å²	67.9	17%	0.169	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	110.4	176.4	-56.2	-100.6	0	0	0	108.5	K204 E215 G248 I249 H251	K204-Y206 HydrophobicContact CB-CE2 3.89Å; K204-Y206 HydrophobicContact CD-CE1 3.85Å; K204-Y206 HydrophobicContact CD-CE2 4.13Å; K204-Y206 HydrophobicContact CG-CD2 4.36Å; K204-Y206 HydrophobicContact CG-CE1 4.37Å; K204-Y206 HydrophobicContact CG-CE2 3.85Å; K204-Y206 VanDerWaalsContact NZ-CE1 3.32Å; K204-Y206 WeakPolarHBondContact O-CE2 3.31Å; Y206-E215 HydrophobicContact CE1-CG 4.47Å; Y206-E215 WeakPolarHBondContact CE1-OE1 3.26Å; Y206-G248 CarbonylContact O-C 3.38Å; Y206-G248 WeakPolarHBondContact O-CA 3.09Å; Y206-I249 PolarHBondContact N-O 2.99Å; Y206-I249 PolarHBondContact O-N 2.81Å; Y206-H251 AromaticContact CE2-CD2 3.72Å; Y206-H251 AromaticContact CE2-NE2 3.26Å; Y206-H251 VanDerWaalsContact CE2-NE2 3.26Å; Y206-H251 WeakPolarHBondContact CE2-NE2 3.39Å; Y206-H251 AromaticContact CZ-NE2 3.78Å
207	S	96.8	Very high	94.2	Very high	22 Å²	22	71.4 Å²	71.4	15%	0.154	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	131	173.1	179.8	0	0	0	0	109.6	T209 L210 M211	S207-T209 PolarHBondContact O-N 2.9Å; S207-T209 PolarHBondContact OG-N 2.96Å; S207-L210 PolarHBondContact O-N 3.15Å; S207-L210 VanDerWaalsContact O-N 3.14Å; S207-M211 WeakPolarHBondContact O-CB 3.44Å; S207-M211 PolarHBondContact O-N 3.38Å
208	L	95.1	Very high	93.7	Very high	28 Å²	28	75.3 Å²	75.3	15%	0.147	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-22.7	176.4	-63.9	-165.8	0	0	0	112.6	M211 L225 F226 W243 P244 R247	L208-M211 HydrophobicContact CD2-CE 3.61Å; L208-M211 HydrophobicContact CD2-SD 4.24Å; L208-L225 HydrophobicContact CD2-CD1 3.6Å; L208-F226 HydrophobicContact CD1-CD2 4.49Å; L208-F226 HydrophobicContact CD1-CE2 3.75Å; L208-F226 HydrophobicContact CD1-CZ 4.01Å; L208-W243 HydrophobicContact CD1-CH2 3.62Å; L208-W243 HydrophobicContact CD1-CZ2 3.49Å; L208-W243 VanDerWaalsContact CD1-CZ2 3.49Å; L208-P244 HydrophobicContact CB-CB 3.86Å; L208-P244 HydrophobicContact CD1-CB 4.49Å; L208-R247 WeakPolarHBondContact CB-O 3.42Å; L208-R247 HydrophobicContact CD1-CB 3.8Å; L208-R247 HydrophobicContact CG-CB 4.13Å; L208-R247 WeakPolarHBondContact CG-O 3.39Å; L208-R247 PolarHBondContact N-O 2.85Å
209	T	93.9	Very high	93.1	Very high	80 Å²	80	67.3 Å²	67.3	49%	0.491	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-29.3	178.8	-58.1	0	0	0	0	112.2	S207	S207-T209 PolarHBondContact O-N 2.9Å; S207-T209 PolarHBondContact OG-N 2.96Å
210	L	93.7	Very high	92.2	Very high	142 Å²	142	67.2 Å²	67.2	74%	0.743	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	1.7	-174.3	-58.1	177.9	0	0	0	112.8	S207	S207-L210 PolarHBondContact O-N 3.15Å; S207-L210 VanDerWaalsContact O-N 3.14Å
211	M	91.9	Very high	91.3	Very high	26 Å²	26	69 Å²	69	13%	0.128	35%	0.352	C	S	.	.			trans	-68.8	130.7	-177.5	-168.9	175.3	-73.7	0	0	110.2	S207 L208 E215 Q216 L219 L225 I249	S207-M211 WeakPolarHBondContact O-CB 3.44Å; S207-M211 PolarHBondContact O-N 3.38Å; L208-M211 HydrophobicContact CD2-CE 3.61Å; L208-M211 HydrophobicContact CD2-SD 4.24Å; M211-E215 HydrophobicContact CG-CB 3.71Å; M211-Q216 HydrophobicContact CG-CB 4.05Å; M211-Q216 WeakPolarHBondContact SD-CA 3.01Å; M211-Q216 HydrophobicContact SD-CB 3.71Å; M211-Q216 HydrophobicContact SD-CG 4.04Å; M211-L219 HydrophobicContact CE-CD1 3.36Å; M211-L219 HydrophobicContact SD-CD1 3.8Å; M211-L225 HydrophobicContact CE-CD1 4.04Å; M211-L225 HydrophobicContact SD-CD1 4.18Å; M211-I249 HydrophobicContact CE-CG2 3.98Å
212	T	91.7	Very high	90.4	Very high	71 Å²	71	70.8 Å²	70.8	44%	0.436	36%	0.362	S	S	.	.			trans	-72.8	156.6	171.7	61	0	0	0	0	111	Q214 E215 Q216	T212-Q214 PolarHBondContact O-N 3.07Å; T212-E215 PolarHBondContact N-OE2 3.46Å; T212-E215 PolarHBondContact O-N 3Å; T212-E215 VanDerWaalsContact O-N 3.17Å; T212-E215 WeakPolarHBondContact OG1-CB 3.22Å; T212-E215 VanDerWaalsContact OG1-CG 3.27Å; T212-E215 WeakPolarHBondContact OG1-CG 3.3Å; T212-E215 PolarHBondContact OG1-N 3.47Å; T212-E215 PolarHBondContact OG1-OE2 3.07Å; T212-Q216 WeakPolarHBondContact O-CB 3.27Å; T212-Q216 PolarHBondContact O-N 2.82Å
213	E	86.3	Confident	89.4	Confident	170 Å²	170	76.9 Å²	76.9	79%	0.794	39%	0.386	S	S	*	.	H	α-helix	trans	-56.5	-35.6	175.3	-67	-177	172.2	0	0	112.1	Q216 Q217	E213-Q216 PolarHBondContact O-N 3.16Å; E213-Q217 WeakPolarHBondContact O-CB 3.45Å; E213-Q217 PolarHBondContact O-N 2.9Å
214	Q	90	Very high	88.9	Confident	165 Å²	165	76.2 Å²	76.2	77%	0.771	37%	0.374	S	S	*	.	H	α-helix	trans	-67.3	-46.2	177.1	-173.6	-179.1	9.6	0	0	112.2	T212 Q216 Q217 Q218	T212-Q214 PolarHBondContact O-N 3.07Å; Q214-Q216 VanDerWaalsContact C-N 3.3Å; Q214-Q216 PolarHBondContact O-N 3.25Å; Q214-Q217 PolarHBondContact O-N 2.8Å; Q214-Q218 WeakPolarHBondContact O-CB 3.32Å; Q214-Q218 PolarHBondContact O-N 2.8Å
215	E	89.9	Confident	88.2	Confident	57 Å²	57	72.4 Å²	72.4	27%	0.266	36%	0.359	S	S	.	.	H	α-helix	trans	-62.6	-40.9	175.2	-74.9	169.9	135.6	0	0	111	K204 Y206 M211 T212 Q218 L219	K204-E215 IonicContact NZ-OE1 2.84Å; K204-E215 PolarHBondContact NZ-OE1 3.48Å; Y206-E215 HydrophobicContact CE1-CG 4.47Å; Y206-E215 WeakPolarHBondContact CE1-OE1 3.26Å; M211-E215 HydrophobicContact CG-CB 3.71Å; T212-E215 PolarHBondContact N-OE2 3.46Å; T212-E215 PolarHBondContact O-N 3Å; T212-E215 VanDerWaalsContact O-N 3.17Å; T212-E215 WeakPolarHBondContact OG1-CB 3.22Å; T212-E215 VanDerWaalsContact OG1-CG 3.27Å; T212-E215 WeakPolarHBondContact OG1-CG 3.3Å; T212-E215 PolarHBondContact OG1-N 3.47Å; T212-E215 PolarHBondContact OG1-OE2 3.07Å; E215-Q218 PolarHBondContact O-N 3.08Å; E215-L219 VanDerWaalsContact O-CG 3.3Å; E215-L219 WeakPolarHBondContact O-CG 3.36Å; E215-L219 PolarHBondContact O-N 3.2Å
216	Q	85.7	Confident	87.6	Confident	84 Å²	84	70.6 Å²	70.6	39%	0.393	35%	0.352	S	S	.	.	H	α-helix	trans	-61.1	-51.3	177.2	-168.7	-177.7	-8	0	0	111.2	M211 T212 E213 Q214 Q218 L219 I220 L225	M211-Q216 HydrophobicContact CG-CB 4.05Å; M211-Q216 WeakPolarHBondContact SD-CA 3.01Å; M211-Q216 HydrophobicContact SD-CB 3.71Å; M211-Q216 HydrophobicContact SD-CG 4.04Å; T212-Q216 WeakPolarHBondContact O-CB 3.27Å; T212-Q216 PolarHBondContact O-N 2.82Å; E213-Q216 PolarHBondContact O-N 3.16Å; Q214-Q216 VanDerWaalsContact C-N 3.3Å; Q214-Q216 PolarHBondContact O-N 3.25Å; Q216-Q218 VanDerWaalsContact C-N 3.32Å; Q216-Q218 PolarHBondContact O-N 3.27Å; Q216-L219 PolarHBondContact O-N 2.85Å; Q216-I220 HydrophobicContact CG-CD1 4.08Å; Q216-I220 VanDerWaalsContact O-CG1 3.32Å; Q216-I220 WeakPolarHBondContact O-CG1 3.36Å; Q216-I220 PolarHBondContact O-N 2.9Å; Q216-L225 HydrophobicContact CG-CD2 3.49Å; Q216-L225 VanDerWaalsContact CG-CD2 3.49Å
217	Q	83.1	Confident	86.6	Confident	99 Å²	99	73.9 Å²	73.9	46%	0.463	37%	0.373	S	S	.	.	H	α-helix	trans	-61.2	-42.4	179.3	-171.2	60.5	53.2	0	0	111.4	E213 Q214 L219 I220 D221	E213-Q217 WeakPolarHBondContact O-CB 3.45Å; E213-Q217 PolarHBondContact O-N 2.9Å; Q214-Q217 PolarHBondContact O-N 2.8Å; Q217-L219 VanDerWaalsContact C-N 3.32Å; Q217-L219 PolarHBondContact O-N 2.8Å; Q217-I220 WeakPolarHBondContact O-CB 3.4Å; Q217-I220 PolarHBondContact O-N 3.05Å; Q217-I220 VanDerWaalsContact O-N 3.16Å; Q217-D221 PolarHBondContact NE2-OD1 2.96Å; Q217-D221 WeakPolarHBondContact O-CB 3.48Å; Q217-D221 PolarHBondContact O-N 3.15Å
218	Q	87.3	Confident	85.8	Confident	91 Å²	91	78.6 Å²	78.6	43%	0.425	39%	0.39	S	S	.	.	H	α-helix	trans	-59.6	-42.5	176.8	-177.7	61.8	67.5	0	0	112.1	Q214 E215 Q216 I220 D221 D222	Q214-Q218 WeakPolarHBondContact O-CB 3.32Å; Q214-Q218 PolarHBondContact O-N 2.8Å; E215-Q218 PolarHBondContact O-N 3.08Å; Q216-Q218 VanDerWaalsContact C-N 3.32Å; Q216-Q218 PolarHBondContact O-N 3.27Å; Q218-I220 VanDerWaalsContact C-N 3.34Å; Q218-D221 PolarHBondContact O-N 3.11Å; Q218-D222 VanDerWaalsContact NE2-CG 3.35Å; Q218-D222 PolarHBondContact NE2-OD1 2.86Å; Q218-D222 VanDerWaalsContact NE2-OD1 3.13Å; Q218-D222 PolarHBondContact NE2-OD2 2.9Å; Q218-D222 VanDerWaalsContact NE2-OD2 3.11Å; Q218-D222 WeakPolarHBondContact O-CB 3.38Å; Q218-D222 PolarHBondContact O-N 3.19Å
219	L	86.9	Confident	85.3	Confident	6 Å²	6	77.8 Å²	77.8	3%	0.031	39%	0.387	C	S	.	.	H	α-helix	trans	-71.3	-29	178.2	-68.8	166.4	0	0	0	112.7	M211 E215 Q216 Q217 H223 F224 L225 I249	M211-L219 HydrophobicContact CE-CD1 3.36Å; M211-L219 HydrophobicContact SD-CD1 3.8Å; E215-L219 VanDerWaalsContact O-CG 3.3Å; E215-L219 WeakPolarHBondContact O-CG 3.36Å; E215-L219 PolarHBondContact O-N 3.2Å; Q216-L219 PolarHBondContact O-N 2.85Å; Q217-L219 VanDerWaalsContact C-N 3.32Å; Q217-L219 PolarHBondContact O-N 2.8Å; L219-H223 PolarHBondContact O-N 3.1Å; L219-F224 HydrophobicContact CD2-CB 4.14Å; L219-F224 HydrophobicContact CD2-CD2 4.15Å; L219-F224 PolarHBondContact O-N 3.31Å; L219-L225 HydrophobicContact CB-CB 3.86Å; L219-L225 HydrophobicContact CB-CD1 4.31Å; L219-L225 HydrophobicContact CD1-CD1 4.23Å; L219-L225 PolarHBondContact O-N 3.18Å; L219-I249 HydrophobicContact CD1-CG2 3.77Å
220	I	79.6	Confident	85	Confident	60 Å²	60	80.1 Å²	80.1	31%	0.308	40%	0.401	S	S	.	.	H	α-helix	trans	-67.3	-49.2	171	-70	166.3	0	0	0	110.1	Q216 Q217 Q218 D222 H223 L225	Q216-I220 HydrophobicContact CG-CD1 4.08Å; Q216-I220 VanDerWaalsContact O-CG1 3.32Å; Q216-I220 WeakPolarHBondContact O-CG1 3.36Å; Q216-I220 PolarHBondContact O-N 2.9Å; Q217-I220 WeakPolarHBondContact O-CB 3.4Å; Q217-I220 PolarHBondContact O-N 3.05Å; Q217-I220 VanDerWaalsContact O-N 3.16Å; Q218-I220 VanDerWaalsContact C-N 3.34Å; I220-D222 VanDerWaalsContact C-N 3.26Å; I220-D222 PolarHBondContact O-N 3.1Å; I220-H223 WeakPolarHBondContact O-CA 3.41Å; I220-H223 PolarHBondContact O-N 3.05Å; I220-L225 HydrophobicContact CD1-CD2 4.21Å; I220-L225 HydrophobicContact CG1-CB 4.14Å; I220-L225 HydrophobicContact CG1-CD2 3.78Å
221	D	77.8	Confident	84.8	Confident	95 Å²	95	74.4 Å²	74.4	51%	0.508	37%	0.372	S	S	.	.	H	α-helix	trans	-62.5	-35.4	-178.8	-67	-15.4	0	0	0	111.7	Q217 Q218 H223	Q217-D221 PolarHBondContact NE2-OD1 2.96Å; Q217-D221 WeakPolarHBondContact O-CB 3.48Å; Q217-D221 PolarHBondContact O-N 3.15Å; Q218-D221 PolarHBondContact O-N 3.11Å; D221-H223 PolarHBondContact O-N 2.94Å
222	D	80.4	Confident	84.8	Confident	44 Å²	44	76.2 Å²	76.2	24%	0.235	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-6	174.8	-67.1	-32.5	0	0	0	113.6	Q218 I220 F224 K255	Q218-D222 VanDerWaalsContact NE2-CG 3.35Å; Q218-D222 PolarHBondContact NE2-OD1 2.86Å; Q218-D222 VanDerWaalsContact NE2-OD1 3.13Å; Q218-D222 PolarHBondContact NE2-OD2 2.9Å; Q218-D222 VanDerWaalsContact NE2-OD2 3.11Å; Q218-D222 WeakPolarHBondContact O-CB 3.38Å; Q218-D222 PolarHBondContact O-N 3.19Å; I220-D222 VanDerWaalsContact C-N 3.26Å; I220-D222 PolarHBondContact O-N 3.1Å; D222-F224 VanDerWaalsContact C-N 3.31Å; D222-F224 HydrophobicContact CB-CD1 4.21Å; D222-F224 HydrophobicContact CB-CD2 3.38Å; D222-F224 HydrophobicContact CB-CE1 4.23Å; D222-F224 HydrophobicContact CB-CE2 3.39Å; D222-F224 HydrophobicContact CB-CG 3.79Å; D222-F224 HydrophobicContact CB-CZ 3.82Å; D222-F224 WeakPolarHBondContact O-CD1 3.42Å; D222-F224 WeakPolarHBondContact O-CE1 3.14Å; D222-F224 PolarHBondContact O-N 3.09Å; D222-K255 IonicContact OD1-NZ 3.72Å; D222-K255 WeakPolarHBondContact OD2-CE 3.12Å; D222-K255 IonicContact OD2-NZ 2.81Å; D222-K255 PolarHBondContact OD2-NZ 2.87Å
223	H	78.1	Confident	84.8	Confident	152 Å²	152	74.8 Å²	74.8	70%	0.704	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	35.7	-172.6	-52.8	-60.5	0	0	0	114.1	L219 I220 D221	L219-H223 PolarHBondContact O-N 3.1Å; I220-H223 WeakPolarHBondContact O-CA 3.41Å; I220-H223 PolarHBondContact O-N 3.05Å; D221-H223 PolarHBondContact O-N 2.94Å
224	F	86.3	Confident	85.2	Confident	16 Å²	16	68.3 Å²	68.3	7%	0.07	35%	0.346	C	S	.	.			trans	-103.6	-32.6	-179.2	-62.1	-21	0	0	0	113.5	L219 D222 I249 K255 L258 W260 M272	L219-F224 HydrophobicContact CD2-CB 4.14Å; L219-F224 HydrophobicContact CD2-CD2 4.15Å; L219-F224 PolarHBondContact O-N 3.31Å; D222-F224 VanDerWaalsContact C-N 3.31Å; D222-F224 HydrophobicContact CB-CD1 4.21Å; D222-F224 HydrophobicContact CB-CD2 3.38Å; D222-F224 HydrophobicContact CB-CE1 4.23Å; D222-F224 HydrophobicContact CB-CE2 3.39Å; D222-F224 HydrophobicContact CB-CG 3.79Å; D222-F224 HydrophobicContact CB-CZ 3.82Å; D222-F224 WeakPolarHBondContact O-CD1 3.42Å; D222-F224 WeakPolarHBondContact O-CE1 3.14Å; D222-F224 PolarHBondContact O-N 3.09Å; F224-I249 HydrophobicContact CB-CD1 3.8Å; F224-I249 WeakPolarHBondContact O-CD1 3.46Å; F224-K255 HydrophobicContact CE2-CB 3.51Å; F224-K255 HydrophobicContact CE2-CD 3.74Å; F224-K255 HydrophobicContact CE2-CG 3.65Å; F224-K255 HydrophobicContact CZ-CB 3.65Å; F224-K255 HydrophobicContact CZ-CD 4.43Å; F224-K255 HydrophobicContact CZ-CG 4.3Å; F224-L258 HydrophobicContact CB-CD2 3.65Å; F224-L258 HydrophobicContact CD1-CD2 3.41Å; F224-L258 VanDerWaalsContact CD1-CD2 3.41Å; F224-L258 HydrophobicContact CD2-CD2 3.76Å; F224-L258 HydrophobicContact CE1-CD2 3.95Å; F224-L258 HydrophobicContact CE2-CD2 4.25Å; F224-L258 HydrophobicContact CG-CD2 3.32Å; F224-L258 HydrophobicContact CZ-CD2 4.35Å; F224-W260 VanDerWaalsContact O-CE2 3.31Å; F224-W260 WeakPolarHBondContact O-CZ2 3.14Å; F224-W260 PolarHBondContact O-NE1 3.46Å; F224-M272 HydrophobicContact CD1-SD 4.47Å; F224-M272 HydrophobicContact CE1-CE 4.2Å; F224-M272 HydrophobicContact CE1-SD 4.22Å
225	L	83.8	Confident	85.5	Confident	22 Å²	22	63.4 Å²	63.4	12%	0.115	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-71.3	140.2	-178.9	-159.8	63.7	0	0	0	110.7	L208 M211 Q216 L219 I220 I249	L208-L225 HydrophobicContact CD2-CD1 3.6Å; M211-L225 HydrophobicContact CE-CD1 4.04Å; M211-L225 HydrophobicContact SD-CD1 4.18Å; Q216-L225 HydrophobicContact CG-CD2 3.49Å; Q216-L225 VanDerWaalsContact CG-CD2 3.49Å; L219-L225 HydrophobicContact CB-CB 3.86Å; L219-L225 HydrophobicContact CB-CD1 4.31Å; L219-L225 HydrophobicContact CD1-CD1 4.23Å; L219-L225 PolarHBondContact O-N 3.18Å; I220-L225 HydrophobicContact CD1-CD2 4.21Å; I220-L225 HydrophobicContact CG1-CB 4.14Å; I220-L225 HydrophobicContact CG1-CD2 3.78Å; L225-I249 HydrophobicContact CD1-CG2 4.22Å
226	F	83.8	Confident	85.9	Confident	10 Å²	10	62.6 Å²	62.6	4%	0.044	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-96.3	136.9	165.2	54.8	-88.5	0	0	0	108.9	L208 W243 R247 G248 I249 W260 E263	L208-F226 HydrophobicContact CD1-CD2 4.49Å; L208-F226 HydrophobicContact CD1-CE2 3.75Å; L208-F226 HydrophobicContact CD1-CZ 4.01Å; F226-W243 AromaticContact CD2-CH2 3.61Å; F226-W243 HydrophobicContact CD2-CH2 3.61Å; F226-W243 HydrophobicContact CD2-CZ3 4.27Å; F226-W243 AromaticContact CE2-CH2 3.48Å; F226-W243 HydrophobicContact CE2-CH2 3.48Å; F226-W243 VanDerWaalsContact CE2-CH2 3.48Å; F226-W243 AromaticContact CE2-CZ3 3.94Å; F226-W243 HydrophobicContact CE2-CZ3 3.94Å; F226-R247 HydrophobicContact CE2-CB 4.37Å; F226-R247 HydrophobicContact CE2-CG 4.46Å; F226-R247 HydrophobicContact CZ-CB 4.38Å; F226-G248 WeakPolarHBondContact CE1-O 3.35Å; F226-I249 HydrophobicContact CE1-CB 4.44Å; F226-W260 HydrophobicContact CB-CD2 4.16Å; F226-W260 HydrophobicContact CB-CE3 3.98Å; F226-W260 HydrophobicContact CB-CH2 3.94Å; F226-W260 HydrophobicContact CB-CZ2 4.13Å; F226-W260 HydrophobicContact CB-CZ3 3.87Å; F226-W260 HydrophobicContact CD1-CB 3.77Å; F226-W260 AromaticContact CD1-CD1 3.59Å; F226-W260 AromaticContact CD1-CD2 3.45Å; F226-W260 HydrophobicContact CD1-CD2 3.45Å; F226-W260 VanDerWaalsContact CD1-CD2 3.45Å; F226-W260 AromaticContact CD1-CE2 3.74Å; F226-W260 AromaticContact CD1-CE3 3.97Å; F226-W260 HydrophobicContact CD1-CE3 3.97Å; F226-W260 AromaticContact CD1-CG 3.35Å; F226-W260 HydrophobicContact CD1-CG 3.35Å; F226-W260 HydrophobicContact CD1-CZ2 4.46Å; F226-W260 AromaticContact CD1-NE1 3.8Å; F226-W260 HydrophobicContact CE1-CB 3.54Å; F226-W260 AromaticContact CE1-CD1 3.81Å; F226-W260 HydrophobicContact CE1-CD2 4.18Å; F226-W260 AromaticContact CE1-CG 3.6Å; F226-W260 HydrophobicContact CE1-CG 3.6Å; F226-W260 HydrophobicContact CG-CD2 4.13Å; F226-W260 HydrophobicContact CG-CE3 4.21Å; F226-W260 HydrophobicContact CG-CG 4.4Å; F226-W260 HydrophobicContact CZ-CB 4.41Å; F226-E263 HydrophobicContact CB-CG 4.08Å; F226-E263 HydrophobicContact CD1-CG 4.5Å; F226-E263 HydrophobicContact CD2-CB 3.78Å; F226-E263 HydrophobicContact CD2-CG 3.23Å; F226-E263 HydrophobicContact CE2-CB 3.68Å; F226-E263 HydrophobicContact CE2-CG 3.65Å; F226-E263 HydrophobicContact CG-CB 4.24Å; F226-E263 HydrophobicContact CG-CG 3.7Å; F226-E263 HydrophobicContact CZ-CB 4.08Å; F226-E263 HydrophobicContact CZ-CG 4.44Å
227	D	76.3	Confident	86.5	Confident	112 Å²	112	58.9 Å²	58.9	60%	0.599	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-79.4	167.7	178.9	-68.6	-43.7	0	0	0	111.8	P229	D227-P229 WeakPolarHBondContact O-CD 3.45Å
228	K	80.3	Confident	87.2	Confident	121 Å²	121	55.1 Å²	55.1	53%	0.526	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-52.2	129.2	167.4	-177.4	175.7	-179.8	179.7	0	108.7	V230 W243	K228-V230 PolarHBondContact O-N 3.41Å; K228-W243 VanDerWaalsContact CA-CZ2 3.48Å; K228-W243 HydrophobicContact CB-CD2 4.26Å; K228-W243 HydrophobicContact CB-CG 4.48Å; K228-W243 HydrophobicContact CB-CZ2 4.06Å; K228-W243 HydrophobicContact CD-CG 4.18Å; K228-W243 HydrophobicContact CG-CD2 4.01Å; K228-W243 HydrophobicContact CG-CG 3.89Å
229	P	84.7	Confident	87.7	Confident	11 Å²	11	51.1 Å²	51.1	7%	0.071	28%	0.281	C	S	.	.			trans	-56.4	108.9	177.3	-28.8	35.8	0	0	0	111.4	D227 L234 T235 A240 W243	D227-P229 WeakPolarHBondContact O-CD 3.45Å; P229-L234 HydrophobicContact CB-CB 3.96Å; P229-L234 HydrophobicContact CB-CD1 3.83Å; P229-L234 HydrophobicContact CG-CD1 4.42Å; P229-T235 WeakPolarHBondContact O-CG2 3.35Å; P229-A240 HydrophobicContact CB-CB 4.3Å; P229-W243 VanDerWaalsContact CD-CZ3 3.46Å; P229-W243 HydrophobicContact CG-CE3 4.46Å; P229-W243 HydrophobicContact CG-CZ3 4.21Å
230	V	87.3	Confident	88.2	Confident	129 Å²	129	51.9 Å²	51.9	78%	0.782	29%	0.288	S	S	*	.			trans	-102.1	-14.1	173.6	-65.8	0	0	0	0	112.4	K228	K228-V230 PolarHBondContact O-N 3.41Å
231	S	89.2	Confident	89.1	Confident	21 Å²	21	53 Å²	53	15%	0.147	29%	0.288	C	S	.	.			trans	-63	127.3	177.9	-178.5	0	0	0	0	109.7	L233 L234 T235	S231-L233 PolarHBondContact O-N 2.72Å; S231-L233 VanDerWaalsContact O-N 3.14Å; S231-L234 PolarHBondContact O-N 2.96Å; S231-T235 PolarHBondContact O-N 2.67Å; S231-T235 VanDerWaalsContact O-N 3.07Å; S231-T235 PolarHBondContact O-OG1 3.21Å
232	P	92.3	Very high	90.1	Very high	64 Å²	64	51.1 Å²	51.1	42%	0.416	28%	0.278	S	S	.	.	H	α-helix	trans	-62.7	-23.8	179.2	28.1	-36.2	0	0	0	112	N95 L234 T235 C236	N95-P232 PolarHBondContact ND2-O 2.93Å; N95-P232 WeakPolarHBondContact OD1-CB 3.32Å; P232-L234 VanDerWaalsContact C-N 3.29Å; P232-L234 PolarHBondContact O-N 2.96Å; P232-T235 WeakPolarHBondContact CA-OG1 3.42Å; P232-C236 WeakPolarHBondContact O-CB 3.42Å; P232-C236 PolarHBondContact O-N 3.17Å; P232-C236 PolarHBondContact O-SG 3.22Å; P232-C236 VanDerWaalsContact O-SG 3.36Å
233	L	92.8	Very high	90.8	Very high	42 Å²	42	51.7 Å²	51.7	22%	0.22	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-36.6	173.6	-60.7	176.4	0	0	0	112.4	T91 N95 T103 S231 A237	T91-L233 WeakPolarHBondContact OG1-CA 3.37Å; T91-L233 PolarHBondContact OG1-O 3.35Å; N95-L233 HydrophobicContact CB-CD2 3.78Å; T103-L233 HydrophobicContact CG2-CD1 3.83Å; T103-L233 HydrophobicContact CG2-CD2 4.17Å; S231-L233 PolarHBondContact O-N 2.72Å; S231-L233 VanDerWaalsContact O-N 3.14Å; L233-A237 VanDerWaalsContact O-CB 3.26Å; L233-A237 WeakPolarHBondContact O-CB 3.37Å
234	L	94.3	Very high	91.7	Very high	33 Å²	33	46.6 Å²	46.6	17%	0.173	26%	0.257	C	S	.	.	H	α-helix	trans	-85.4	-41.8	-179.9	-63.3	175.9	0	0	0	111.4	P229 S231 P232 A237 G238 M239 E264	P229-L234 HydrophobicContact CB-CB 3.96Å; P229-L234 HydrophobicContact CB-CD1 3.83Å; P229-L234 HydrophobicContact CG-CD1 4.42Å; S231-L234 PolarHBondContact O-N 2.96Å; P232-L234 VanDerWaalsContact C-N 3.29Å; P232-L234 PolarHBondContact O-N 2.96Å; L234-A237 PolarHBondContact O-N 3.01Å; L234-G238 PolarHBondContact O-N 3.41Å; L234-M239 HydrophobicContact CD2-CE 3.61Å; L234-M239 HydrophobicContact CD2-SD 3.65Å; L234-M239 WeakPolarHBondContact O-CB 3.27Å; L234-M239 PolarHBondContact O-N 3.36Å; L234-E264 HydrophobicContact CD2-CB 4.3Å
235	T	96.6	Very high	92.2	Very high	62 Å²	62	47.6 Å²	47.6	38%	0.38	26%	0.263	S	S	.	.	H	α-helix	trans	-69.9	-43	-178.2	58.7	0	0	0	0	111.9	P229 S231 P232 A237 G238 A240	P229-T235 WeakPolarHBondContact O-CG2 3.35Å; S231-T235 PolarHBondContact O-N 2.67Å; S231-T235 VanDerWaalsContact O-N 3.07Å; S231-T235 PolarHBondContact O-OG1 3.21Å; P232-T235 WeakPolarHBondContact CA-OG1 3.42Å; T235-A237 PolarHBondContact O-N 3.25Å; T235-G238 PolarHBondContact O-N 2.83Å; T235-A240 HydrophobicContact CG2-CB 4Å
236	C	97.5	Very high	92.9	Very high	41 Å²	41	46.7 Å²	46.7	28%	0.277	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-21.4	174.8	-67	0	0	0	0	112.7	D94 P232 G238	D94-C236 HydrophobicContact CB-CB 4.05Å; D94-C236 WeakPolarHBondContact OD2-CB 3.39Å; D94-C236 PolarHBondContact OD2-SG 3.06Å; P232-C236 WeakPolarHBondContact O-CB 3.42Å; P232-C236 PolarHBondContact O-N 3.17Å; P232-C236 PolarHBondContact O-SG 3.22Å; P232-C236 VanDerWaalsContact O-SG 3.36Å; C236-G238 PolarHBondContact O-N 3.07Å
237	A	98.1	Very high	93.6	Very high	6 Å²	6	46.3 Å²	46.3	5%	0.05	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	2.7	170.6	0	0	0	0	0	113.3	T91 V107 P176 L233 L234 T235 M239	T91-A237 HydrophobicContact CG2-CB 4.36Å; V107-A237 HydrophobicContact CG1-CB 4.12Å; V107-A237 HydrophobicContact CG2-CB 4.04Å; P176-A237 WeakPolarHBondContact CA-O 3.45Å; P176-A237 VanDerWaalsContact CB-O 3.3Å; P176-A237 WeakPolarHBondContact CB-O 3.32Å; L233-A237 VanDerWaalsContact O-CB 3.26Å; L233-A237 WeakPolarHBondContact O-CB 3.37Å; L234-A237 PolarHBondContact O-N 3.01Å; T235-A237 PolarHBondContact O-N 3.25Å; A237-M239 VanDerWaalsContact C-N 3.28Å; A237-M239 HydrophobicContact CB-CG 3.93Å; A237-M239 HydrophobicContact CB-SD 3.75Å; A237-M239 PolarHBondContact O-N 3.48Å
238	G	97.9	Very high	94.6	Very high	19 Å²	19	41 Å²	41	20%	0.196	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	73	14.6	179.1	0	0	0	0	0	114.8	L234 T235 C236 R241	L234-G238 PolarHBondContact O-N 3.41Å; T235-G238 PolarHBondContact O-N 2.83Å; C236-G238 PolarHBondContact O-N 3.07Å; G238-R241 WeakPolarHBondContact O-CG 3.47Å; G238-R241 PolarHBondContact O-NE 3Å
239	M	98.3	Very high	95.5	Very high	8 Å²	8	35.2 Å²	35.2	4%	0.039	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-14.2	-172.7	-59.4	169.5	63.7	0	0	113.2	P175 P176 L234 A237 R247 E264 T314	P175-M239 HydrophobicContact CB-CB 4.47Å; P175-M239 HydrophobicContact CB-CE 4.29Å; P175-M239 HydrophobicContact CB-CG 4.27Å; P176-M239 HydrophobicContact CG-CG 3.9Å; P176-M239 HydrophobicContact CG-SD 4.28Å; L234-M239 HydrophobicContact CD2-CE 3.61Å; L234-M239 HydrophobicContact CD2-SD 3.65Å; L234-M239 WeakPolarHBondContact O-CB 3.27Å; L234-M239 PolarHBondContact O-N 3.36Å; A237-M239 VanDerWaalsContact C-N 3.28Å; A237-M239 HydrophobicContact CB-CG 3.93Å; A237-M239 HydrophobicContact CB-SD 3.75Å; A237-M239 PolarHBondContact O-N 3.48Å; M239-R247 PolarHBondContact O-NH2 2.95Å; M239-E264 HydrophobicContact CE-CB 3.83Å; M239-E264 WeakPolarHBondContact CE-O 3.29Å; M239-T314 HydrophobicContact CE-CG2 4.1Å; M239-T314 HydrophobicContact SD-CG2 4.21Å
240	A	97.5	Very high	96.1	Very high	22 Å²	22	34.9 Å²	34.9	18%	0.182	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3.6	179.2	0	0	0	0	0	114.4	P229 T235	P229-A240 HydrophobicContact CB-CB 4.3Å; T235-A240 HydrophobicContact CG2-CB 4Å
241	R	97.9	Very high	96.6	Very high	84 Å²	84	29.3 Å²	29.3	32%	0.317	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	141.8	-177.6	-70.6	177.7	-60.3	106.1	-1.9	112.1	P175 P176 C178 R183 G238 W243 R247	P175-R241 PolarHBondContact O-NH2 2.74Å; P176-R241 PolarHBondContact O-NH2 3.37Å; C178-R241 PolarHBondContact O-NH1 3.46Å; C178-R241 PolarHBondContact O-NH2 3.46Å; R183-R241 PolarHBondContact NH1-O 3.23Å; G238-R241 WeakPolarHBondContact O-CG 3.47Å; G238-R241 PolarHBondContact O-NE 3Å; R241-W243 PolarHBondContact O-N 3.47Å; R241-W243 VanDerWaalsContact O-N 3.15Å; R241-R247 PolarHBondContact O-NH1 3.12Å; R241-R247 PolarHBondContact O-NH2 2.99Å
242	D	97.9	Very high	97.1	Very high	54 Å²	54	28.3 Å²	28.3	29%	0.289	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	21.4	176.7	-38.8	-83.4	0	0	0	114.9	R180 R183 D245	R180-D242 WeakPolarHBondContact CD-OD1 3.38Å; R180-D242 HydrophobicContact CG-CB 4.12Å; R180-D242 IonicContact CZ-OD1 3.39Å; R180-D242 IonicContact NH1-OD1 2.9Å; R180-D242 PolarHBondContact NH1-OD1 3.09Å; R183-D242 IonicContact CZ-OD2 2.66Å; R183-D242 IonicContact NH1-OD2 3.97Å; R183-D242 PolarHBondContact NH1-OD2 2.87Å; R183-D242 IonicContact NH2-OD2 2.98Å; D242-D245 HydrophobicContact CB-CB 4.21Å; D242-D245 WeakPolarHBondContact O-CB 3.26Å; D242-D245 PolarHBondContact O-N 2.9Å
243	W	96.1	Very high	97.3	Very high	57 Å²	57	31 Å²	31	22%	0.216	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	135.1	-179.7	-177.2	-84.1	0	0	0	112.6	L208 F226 K228 P229 R241 R247	L208-W243 HydrophobicContact CD1-CH2 3.62Å; L208-W243 HydrophobicContact CD1-CZ2 3.49Å; L208-W243 VanDerWaalsContact CD1-CZ2 3.49Å; F226-W243 AromaticContact CD2-CH2 3.61Å; F226-W243 HydrophobicContact CD2-CH2 3.61Å; F226-W243 HydrophobicContact CD2-CZ3 4.27Å; F226-W243 AromaticContact CE2-CH2 3.48Å; F226-W243 HydrophobicContact CE2-CH2 3.48Å; F226-W243 VanDerWaalsContact CE2-CH2 3.48Å; F226-W243 AromaticContact CE2-CZ3 3.94Å; F226-W243 HydrophobicContact CE2-CZ3 3.94Å; K228-W243 VanDerWaalsContact CA-CZ2 3.48Å; K228-W243 HydrophobicContact CB-CD2 4.26Å; K228-W243 HydrophobicContact CB-CG 4.48Å; K228-W243 HydrophobicContact CB-CZ2 4.06Å; K228-W243 HydrophobicContact CD-CG 4.18Å; K228-W243 HydrophobicContact CG-CD2 4.01Å; K228-W243 HydrophobicContact CG-CG 3.89Å; P229-W243 VanDerWaalsContact CD-CZ3 3.46Å; P229-W243 HydrophobicContact CG-CE3 4.46Å; P229-W243 HydrophobicContact CG-CZ3 4.21Å; R241-W243 PolarHBondContact O-N 3.47Å; R241-W243 VanDerWaalsContact O-N 3.15Å; W243-R247 HydrophobicContact CE3-CG 4.22Å; W243-R247 HydrophobicContact CZ3-CB 4.47Å; W243-R247 HydrophobicContact CZ3-CG 3.92Å
244	P	96.1	Very high	97.5	Very high	44 Å²	44	35.1 Å²	35.1	29%	0.286	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	cis	-98.6	21.7	3.9	38.8	-35.5	0	0	0	115.2	L208 A246 R247	L208-P244 HydrophobicContact CB-CB 3.86Å; L208-P244 HydrophobicContact CD1-CB 4.49Å; P244-A246 PolarHBondContact O-N 3.41Å; P244-R247 PolarHBondContact O-N 3.49Å; P244-R247 VanDerWaalsContact O-N 3.15Å
245	D	98.2	Very high	97.6	Very high	37 Å²	37	37 Å²	37	20%	0.198	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	128.4	-175.1	-176.4	-97.9	0	0	0	112.3	R183 R184 D242 R247	R183-D245 WeakPolarHBondContact CD-O 3.33Å; R184-D245 IonicContact CZ-OD1 3.76Å; R184-D245 IonicContact CZ-OD2 2.89Å; R184-D245 IonicContact NE-OD1 3.94Å; R184-D245 PolarHBondContact NE-OD1 3.22Å; R184-D245 IonicContact NE-OD2 2.73Å; R184-D245 PolarHBondContact NE-OD2 3.24Å; R184-D245 IonicContact NH2-OD1 3.47Å; R184-D245 IonicContact NH2-OD2 3.27Å; R184-D245 PolarHBondContact NH2-OD2 2.72Å; D242-D245 HydrophobicContact CB-CB 4.21Å; D242-D245 WeakPolarHBondContact O-CB 3.26Å; D242-D245 PolarHBondContact O-N 2.9Å; D245-R247 WeakPolarHBondContact O-CD 3.27Å; D245-R247 PolarHBondContact O-N 3.35Å; D245-R247 PolarHBondContact O-NH1 3.47Å
246	A	98.3	Very high	97.6	Very high	4 Å²	4	35.1 Å²	35.1	3%	0.033	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	25.4	179.5	0	0	0	0	0	115.7	R183 R184 E187 P244 N262	R183-A246 HydrophobicContact CB-CB 4.41Å; R183-A246 HydrophobicContact CG-CB 3.9Å; R184-A246 HydrophobicContact CB-CB 4.38Å; R184-A246 HydrophobicContact CG-CB 3.71Å; E187-A246 HydrophobicContact CB-CB 4.15Å; E187-A246 WeakPolarHBondContact OE1-CA 3.4Å; E187-A246 WeakPolarHBondContact OE2-CA 3.25Å; E187-A246 WeakPolarHBondContact OE2-CB 3.09Å; P244-A246 PolarHBondContact O-N 3.41Å; A246-N262 WeakPolarHBondContact O-CB 3.34Å; A246-N262 PolarHBondContact O-ND2 2.97Å
247	R	98.4	Very high	97.7	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	17%	0.171	C	C	.	.			trans	-106.2	146.1	172.5	-80.4	65.8	167.9	-141.2	-6.3	110.1	R183 Y205 L208 F226 M239 R241 W243 P244 D245 N262	R183-R247 VanDerWaalsContact NE-CZ 3.34Å; Y205-R247 PolarHBondContact OH-O 3.03Å; L208-R247 WeakPolarHBondContact CB-O 3.42Å; L208-R247 HydrophobicContact CD1-CB 3.8Å; L208-R247 HydrophobicContact CG-CB 4.13Å; L208-R247 WeakPolarHBondContact CG-O 3.39Å; L208-R247 PolarHBondContact N-O 2.85Å; F226-R247 HydrophobicContact CE2-CB 4.37Å; F226-R247 HydrophobicContact CE2-CG 4.46Å; F226-R247 HydrophobicContact CZ-CB 4.38Å; M239-R247 PolarHBondContact O-NH2 2.95Å; R241-R247 PolarHBondContact O-NH1 3.12Å; R241-R247 PolarHBondContact O-NH2 2.99Å; W243-R247 HydrophobicContact CE3-CG 4.22Å; W243-R247 HydrophobicContact CZ3-CB 4.47Å; W243-R247 HydrophobicContact CZ3-CG 3.92Å; P244-R247 PolarHBondContact O-N 3.49Å; P244-R247 VanDerWaalsContact O-N 3.15Å; D245-R247 WeakPolarHBondContact O-CD 3.27Å; D245-R247 PolarHBondContact O-N 3.35Å; D245-R247 PolarHBondContact O-NH1 3.47Å; R247-N262 WeakPolarHBondContact CD-O 3.39Å; R247-N262 HydrophobicContact CG-CB 3.98Å; R247-N262 WeakPolarHBondContact CG-O 3.48Å; R247-N262 PolarHBondContact NE-O 3.42Å
248	G	97.3	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	178.6	174.1	0	0	0	0	0	113.2	Y205 Y206 F226 I261	Y205-G248 WeakPolarHBondContact OH-CA 3.44Å; Y206-G248 CarbonylContact O-C 3.38Å; Y206-G248 WeakPolarHBondContact O-CA 3.09Å; F226-G248 WeakPolarHBondContact CE1-O 3.35Å; G248-I261 PolarHBondContact N-O 3.29Å; G248-I261 PolarHBondContact O-N 2.74Å
249	I	97.9	Very high	97.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	133.5	177.8	179.9	165.3	0	0	0	109	Y206 M211 L219 F224 L225 F226 L258	Y206-I249 PolarHBondContact N-O 2.99Å; Y206-I249 PolarHBondContact O-N 2.81Å; M211-I249 HydrophobicContact CE-CG2 3.98Å; L219-I249 HydrophobicContact CD1-CG2 3.77Å; F224-I249 HydrophobicContact CB-CD1 3.8Å; F224-I249 WeakPolarHBondContact O-CD1 3.46Å; L225-I249 HydrophobicContact CD1-CG2 4.22Å; F226-I249 HydrophobicContact CE1-CB 4.44Å; I249-L258 HydrophobicContact CD1-CD2 4.24Å
250	W	98.3	Very high	97.7	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.015	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	142.7	164.6	177.6	100.1	0	0	0	108.6	L194 L197 L201 K204 Y205 N252 F257 L258 I259	L194-W250 HydrophobicContact CB-CD2 4.35Å; L194-W250 HydrophobicContact CB-CG 4.2Å; L194-W250 HydrophobicContact CD1-CB 3.57Å; L194-W250 HydrophobicContact CD1-CD2 3.86Å; L194-W250 HydrophobicContact CD1-CE3 4.31Å; L194-W250 HydrophobicContact CD1-CG 3.52Å; L194-W250 HydrophobicContact CG-CG 4.43Å; L197-W250 HydrophobicContact CB-CZ2 4.46Å; L197-W250 HydrophobicContact CD1-CH2 3.57Å; L197-W250 HydrophobicContact CD1-CZ2 3.61Å; L197-W250 HydrophobicContact CD1-CZ3 4.3Å; L201-W250 WeakPolarHBondContact O-CH2 3.47Å; L201-W250 WeakPolarHBondContact O-CZ2 3.47Å; K204-W250 WeakPolarHBondContact O-CA 3.42Å; Y205-W250 HydrophobicContact CD2-CB 4.15Å; W250-N252 HydrophobicContact CH2-CB 3.95Å; W250-N252 HydrophobicContact CZ3-CB 4.48Å; W250-F257 AromaticContact CH2-CD1 3.87Å; W250-F257 HydrophobicContact CH2-CD1 3.87Å; W250-F257 HydrophobicContact CH2-CE1 4.48Å; W250-F257 AromaticContact CZ3-CD1 3.53Å; W250-F257 HydrophobicContact CZ3-CD1 3.53Å; W250-F257 HydrophobicContact CZ3-CE1 4.1Å; W250-F257 HydrophobicContact CZ3-CG 4.42Å; W250-F257 WeakPolarHBondContact CZ3-O 3.21Å; W250-L258 CarbonylContact O-C 3.53Å; W250-L258 WeakPolarHBondContact O-CA 3.41Å; W250-I259 HydrophobicContact CE3-CB 4.23Å; W250-I259 HydrophobicContact CE3-CD1 4.13Å; W250-I259 HydrophobicContact CE3-CG1 4.04Å; W250-I259 HydrophobicContact CZ3-CD1 4.35Å; W250-I259 HydrophobicContact CZ3-CG1 4.41Å; W250-I259 PolarHBondContact N-O 2.96Å; W250-I259 PolarHBondContact O-N 2.88Å
251	H	98.1	Very high	97.8	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.056	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	152.3	167.3	66.1	78.3	0	0	0	111.1	G203 K204 Y206 F257 L258	G203-H251 CarbonylContact C-O 3.5Å; G203-H251 WeakPolarHBondContact CA-O 3.23Å; K204-H251 PolarHBondContact N-O 3.13Å; K204-H251 PolarHBondContact O-N 3.22Å; Y206-H251 AromaticContact CE2-CD2 3.72Å; Y206-H251 AromaticContact CE2-NE2 3.26Å; Y206-H251 VanDerWaalsContact CE2-NE2 3.26Å; Y206-H251 WeakPolarHBondContact CE2-NE2 3.39Å; Y206-H251 AromaticContact CZ-NE2 3.78Å; H251-F257 CarbonylContact C-O 3.52Å; H251-F257 VanDerWaalsContact CA-O 3.32Å; H251-F257 WeakPolarHBondContact CA-O 3.38Å; H251-L258 HydrophobicContact CB-CB 4.31Å; H251-L258 HydrophobicContact CB-CD2 4.01Å; H251-L258 HydrophobicContact CB-CG 3.84Å
252	N	98.4	Very high	97.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	163.4	171.9	74.4	-26.9	0	0	0	111.4	D200 A202 W250 E254 K255 T256 F257	D200-N252 WeakPolarHBondContact O-CB 3.46Å; D200-N252 PolarHBondContact O-ND2 3.32Å; A202-N252 CarbonylContact O-C 3.56Å; A202-N252 WeakPolarHBondContact O-CA 3.48Å; A202-N252 WeakPolarHBondContact O-CB 3.48Å; W250-N252 HydrophobicContact CH2-CB 3.95Å; W250-N252 HydrophobicContact CZ3-CB 4.48Å; N252-E254 PolarHBondContact O-N 3.03Å; N252-K255 PolarHBondContact O-N 2.93Å; N252-K255 WeakPolarHBondContact OD1-CA 3.49Å; N252-K255 PolarHBondContact OD1-N 3.01Å; N252-T256 PolarHBondContact ND2-OG1 3.32Å; N252-T256 PolarHBondContact OD1-N 3.32Å; N252-F257 HydrophobicContact CB-CB 4.35Å; N252-F257 PolarHBondContact N-O 3.37Å; N252-F257 PolarHBondContact OD1-N 3.16Å; N252-F257 PolarHBondContact OD1-O 3.49Å
253	N	97.3	Very high	97.7	Very high	120 Å²	120	27 Å²	27	64%	0.642	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.7	-177.2	-63.9	-29.9	0	0	0	112.9	A202 K255	A202-N253 PolarHBondContact O-N 3.42Å; A202-N253 PolarHBondContact O-ND2 3.3Å; N253-K255 VanDerWaalsContact C-N 3.31Å
254	E	96.8	Very high	97.7	Very high	130 Å²	130	26.1 Å²	26.1	61%	0.607	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-1.1	179.4	-63.4	-177.5	-175.4	0	0	114	N252 T256	N252-E254 PolarHBondContact O-N 3.03Å; E254-T256 HydrophobicContact CB-CG2 4.32Å; E254-T256 PolarHBondContact O-N 2.96Å
255	K	96.1	Very high	97.8	Very high	72 Å²	72	24.1 Å²	24.1	31%	0.313	12%	0.118	S	C	.	.	S	Bend	trans	58.4	32	179.1	-64.8	169.1	164.6	-166.4	0	113.8	D222 F224 N252 N253	D222-K255 IonicContact OD1-NZ 3.72Å; D222-K255 WeakPolarHBondContact OD2-CE 3.12Å; D222-K255 IonicContact OD2-NZ 2.81Å; D222-K255 PolarHBondContact OD2-NZ 2.87Å; F224-K255 HydrophobicContact CE2-CB 3.51Å; F224-K255 HydrophobicContact CE2-CD 3.74Å; F224-K255 HydrophobicContact CE2-CG 3.65Å; F224-K255 HydrophobicContact CZ-CB 3.65Å; F224-K255 HydrophobicContact CZ-CD 4.43Å; F224-K255 HydrophobicContact CZ-CG 4.3Å; N252-K255 PolarHBondContact O-N 2.93Å; N252-K255 WeakPolarHBondContact OD1-CA 3.49Å; N252-K255 PolarHBondContact OD1-N 3.01Å; N253-K255 VanDerWaalsContact C-N 3.31Å
256	T	97.4	Very high	97.8	Very high	23 Å²	23	22.4 Å²	22.4	14%	0.141	11%	0.108	C	C	.	.	S	Bend	trans	-112.3	-9.9	-179	56.1	0	0	0	0	113.8	N252 E254 S271 M272 R284	N252-T256 PolarHBondContact ND2-OG1 3.32Å; N252-T256 PolarHBondContact OD1-N 3.32Å; E254-T256 HydrophobicContact CB-CG2 4.32Å; E254-T256 PolarHBondContact O-N 2.96Å; T256-S271 WeakPolarHBondContact O-CA 3.45Å; T256-M272 WeakPolarHBondContact CA-O 3.29Å; T256-M272 PolarHBondContact O-N 3.45Å; T256-R284 PolarHBondContact O-NE 2.91Å; T256-R284 PolarHBondContact O-NH2 3.48Å
257	F	98.6	Very high	97.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	121.1	174.3	-169.3	-117.6	0	0	0	109.2	L201 W250 H251 N252 I259 V269 I270	L201-F257 HydrophobicContact CD2-CB 4.22Å; L201-F257 HydrophobicContact CD2-CD1 3.78Å; L201-F257 HydrophobicContact CD2-CE1 4.33Å; L201-F257 HydrophobicContact CD2-CG 4Å; W250-F257 AromaticContact CH2-CD1 3.87Å; W250-F257 HydrophobicContact CH2-CD1 3.87Å; W250-F257 HydrophobicContact CH2-CE1 4.48Å; W250-F257 AromaticContact CZ3-CD1 3.53Å; W250-F257 HydrophobicContact CZ3-CD1 3.53Å; W250-F257 HydrophobicContact CZ3-CE1 4.1Å; W250-F257 HydrophobicContact CZ3-CG 4.42Å; W250-F257 WeakPolarHBondContact CZ3-O 3.21Å; H251-F257 CarbonylContact C-O 3.52Å; H251-F257 VanDerWaalsContact CA-O 3.32Å; H251-F257 WeakPolarHBondContact CA-O 3.38Å; N252-F257 HydrophobicContact CB-CB 4.35Å; N252-F257 PolarHBondContact N-O 3.37Å; N252-F257 PolarHBondContact OD1-N 3.16Å; N252-F257 PolarHBondContact OD1-O 3.49Å; F257-I259 HydrophobicContact CE1-CD1 4.04Å; F257-I259 HydrophobicContact CE1-CG1 4.45Å; F257-I259 HydrophobicContact CZ-CD1 4.41Å; F257-V269 HydrophobicContact CE1-CG1 4.47Å; F257-V269 HydrophobicContact CE2-CG1 3.5Å; F257-V269 VanDerWaalsContact CE2-CG1 3.5Å; F257-V269 HydrophobicContact CZ-CG1 3.4Å; F257-I270 CarbonylContact C-O 3.51Å; F257-I270 WeakPolarHBondContact CA-O 3.4Å; F257-I270 VanDerWaalsContact CD2-O 3.29Å; F257-I270 WeakPolarHBondContact CD2-O 3.28Å
258	L	98.2	Very high	97.9	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.01	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	148.2	-171.9	-51.5	93.1	0	0	0	110.4	F224 I249 W250 H251 I270 M272	F224-L258 HydrophobicContact CB-CD2 3.65Å; F224-L258 HydrophobicContact CD1-CD2 3.41Å; F224-L258 VanDerWaalsContact CD1-CD2 3.41Å; F224-L258 HydrophobicContact CD2-CD2 3.76Å; F224-L258 HydrophobicContact CE1-CD2 3.95Å; F224-L258 HydrophobicContact CE2-CD2 4.25Å; F224-L258 HydrophobicContact CG-CD2 3.32Å; F224-L258 HydrophobicContact CZ-CD2 4.35Å; I249-L258 HydrophobicContact CD1-CD2 4.24Å; W250-L258 CarbonylContact O-C 3.53Å; W250-L258 WeakPolarHBondContact O-CA 3.41Å; H251-L258 HydrophobicContact CB-CB 4.31Å; H251-L258 HydrophobicContact CB-CD2 4.01Å; H251-L258 HydrophobicContact CB-CG 3.84Å; L258-I270 HydrophobicContact CB-CB 4.25Å; L258-I270 HydrophobicContact CD1-CG2 4.22Å; L258-I270 PolarHBondContact N-O 2.87Å; L258-I270 PolarHBondContact O-N 3.02Å; L258-M272 HydrophobicContact CD1-CG 3.74Å; L258-M272 HydrophobicContact CD1-SD 3.87Å
259	I	98.6	Very high	97.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	116.1	175.8	-59.7	176.2	0	0	0	108.4	L194 W250 F257 I261 T267 R268 V269 V292	L194-I259 HydrophobicContact CD1-CB 4.1Å; L194-I259 HydrophobicContact CD1-CD1 3.87Å; L194-I259 HydrophobicContact CD1-CG2 4.19Å; L194-I259 HydrophobicContact CD2-CD1 3.32Å; L194-I259 HydrophobicContact CG-CD1 4.23Å; W250-I259 HydrophobicContact CE3-CB 4.23Å; W250-I259 HydrophobicContact CE3-CD1 4.13Å; W250-I259 HydrophobicContact CE3-CG1 4.04Å; W250-I259 HydrophobicContact CZ3-CD1 4.35Å; W250-I259 HydrophobicContact CZ3-CG1 4.41Å; W250-I259 PolarHBondContact N-O 2.96Å; W250-I259 PolarHBondContact O-N 2.88Å; F257-I259 HydrophobicContact CE1-CD1 4.04Å; F257-I259 HydrophobicContact CE1-CG1 4.45Å; F257-I259 HydrophobicContact CZ-CD1 4.41Å; I259-I261 HydrophobicContact CG2-CG1 4.25Å; I259-T267 HydrophobicContact CG2-CG2 4.32Å; I259-R268 VanDerWaalsContact CA-O 3.32Å; I259-R268 WeakPolarHBondContact CA-O 3.47Å; I259-V269 HydrophobicContact CD1-CG1 4.46Å; I259-V269 HydrophobicContact CD1-CG2 4.3Å; I259-V269 HydrophobicContact CG1-CB 4.43Å; I259-V269 HydrophobicContact CG1-CG1 4.2Å; I259-V269 HydrophobicContact CG1-CG2 4.16Å; I259-V269 HydrophobicContact CG2-CG2 4.49Å; I259-V292 HydrophobicContact CD1-CG2 4.05Å
260	W	98.4	Very high	98	Very high	36 Å²	36	22.8 Å²	22.8	14%	0.136	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	138.4	167.7	-57.9	-17.5	0	0	0	109.2	F224 F226 T267 R268 I270	F224-W260 VanDerWaalsContact O-CE2 3.31Å; F224-W260 WeakPolarHBondContact O-CZ2 3.14Å; F224-W260 PolarHBondContact O-NE1 3.46Å; F226-W260 HydrophobicContact CB-CD2 4.16Å; F226-W260 HydrophobicContact CB-CE3 3.98Å; F226-W260 HydrophobicContact CB-CH2 3.94Å; F226-W260 HydrophobicContact CB-CZ2 4.13Å; F226-W260 HydrophobicContact CB-CZ3 3.87Å; F226-W260 HydrophobicContact CD1-CB 3.77Å; F226-W260 AromaticContact CD1-CD1 3.59Å; F226-W260 AromaticContact CD1-CD2 3.45Å; F226-W260 HydrophobicContact CD1-CD2 3.45Å; F226-W260 VanDerWaalsContact CD1-CD2 3.45Å; F226-W260 AromaticContact CD1-CE2 3.74Å; F226-W260 AromaticContact CD1-CE3 3.97Å; F226-W260 HydrophobicContact CD1-CE3 3.97Å; F226-W260 AromaticContact CD1-CG 3.35Å; F226-W260 HydrophobicContact CD1-CG 3.35Å; F226-W260 HydrophobicContact CD1-CZ2 4.46Å; F226-W260 AromaticContact CD1-NE1 3.8Å; F226-W260 HydrophobicContact CE1-CB 3.54Å; F226-W260 AromaticContact CE1-CD1 3.81Å; F226-W260 HydrophobicContact CE1-CD2 4.18Å; F226-W260 AromaticContact CE1-CG 3.6Å; F226-W260 HydrophobicContact CE1-CG 3.6Å; F226-W260 HydrophobicContact CG-CD2 4.13Å; F226-W260 HydrophobicContact CG-CE3 4.21Å; F226-W260 HydrophobicContact CG-CG 4.4Å; F226-W260 HydrophobicContact CZ-CB 4.41Å; W260-T267 CarbonylContact O-C 3.59Å; W260-T267 VanDerWaalsContact O-CA 3.24Å; W260-T267 WeakPolarHBondContact O-CA 3.41Å; W260-R268 HydrophobicContact CB-CB 4.18Å; W260-R268 HydrophobicContact CE3-CB 4.36Å; W260-R268 PolarHBondContact N-O 3.41Å; W260-R268 PolarHBondContact O-N 3.47Å; W260-I270 HydrophobicContact CD2-CD1 4.02Å; W260-I270 HydrophobicContact CG-CD1 4.37Å; W260-I270 HydrophobicContact CZ2-CD1 4.25Å
261	I	98.8	Very high	98	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127.2	-176.5	-53.8	-176.3	0	0	0	108.8	E187 V190 V191 L194 Y205 G248 I259 E263 H266	E187-I261 HydrophobicContact CB-CG2 4.33Å; V190-I261 HydrophobicContact CB-CD1 4.17Å; V190-I261 HydrophobicContact CG1-CD1 3.6Å; V190-I261 HydrophobicContact CG1-CG1 4.01Å; V191-I261 HydrophobicContact CG2-CD1 3.76Å; L194-I261 HydrophobicContact CD1-CD1 4.34Å; Y205-I261 HydrophobicContact CD2-CD1 3.9Å; Y205-I261 HydrophobicContact CE2-CD1 3.61Å; Y205-I261 HydrophobicContact CE2-CG1 4.39Å; G248-I261 PolarHBondContact N-O 3.29Å; G248-I261 PolarHBondContact O-N 2.74Å; I259-I261 HydrophobicContact CG2-CG1 4.25Å; I261-E263 PolarHBondContact O-N 2.98Å; I261-H266 WeakPolarHBondContact CA-O 3.35Å
262	N	98.6	Very high	97.9	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.116	C	C	.	.	S	Bend	trans	60	31.3	174.7	-69.3	-42.8	0	0	0	116.5	R183 V186 A246 R247 H266	R183-N262 HydrophobicContact CG-CB 3.92Å; R183-N262 WeakPolarHBondContact CG-ND2 3.09Å; R183-N262 PolarHBondContact O-ND2 3.23Å; V186-N262 VanDerWaalsContact CG1-OD1 3.26Å; V186-N262 WeakPolarHBondContact CG1-OD1 3.22Å; A246-N262 WeakPolarHBondContact O-CB 3.34Å; A246-N262 PolarHBondContact O-ND2 2.97Å; R247-N262 WeakPolarHBondContact CD-O 3.39Å; R247-N262 HydrophobicContact CG-CB 3.98Å; R247-N262 WeakPolarHBondContact CG-O 3.48Å; R247-N262 PolarHBondContact NE-O 3.42Å; N262-H266 PolarHBondContact N-O 2.89Å
263	E	95.5	Very high	97.8	Very high	20 Å²	20	25 Å²	25	9%	0.093	12%	0.121	C	C	.	.	S	Bend	trans	-83.3	-106	169.9	-164.8	-86.2	145.3	0	0	109.7	F226 I261 D265	F226-E263 HydrophobicContact CB-CG 4.08Å; F226-E263 HydrophobicContact CD1-CG 4.5Å; F226-E263 HydrophobicContact CD2-CB 3.78Å; F226-E263 HydrophobicContact CD2-CG 3.23Å; F226-E263 HydrophobicContact CE2-CB 3.68Å; F226-E263 HydrophobicContact CE2-CG 3.65Å; F226-E263 HydrophobicContact CG-CB 4.24Å; F226-E263 HydrophobicContact CG-CG 3.7Å; F226-E263 HydrophobicContact CZ-CB 4.08Å; F226-E263 HydrophobicContact CZ-CG 4.44Å; I261-E263 PolarHBondContact O-N 2.98Å; E263-D265 PolarHBondContact N-O 2.96Å
264	E	96	Very high	97.6	Very high	40 Å²	40	27.2 Å²	27.2	19%	0.187	13%	0.125	C	C	.	.	S	Bend	trans	-84.9	-15.7	179.9	68.9	-174.4	157.3	0	0	114.1	L234 M239 R268 T314	L234-E264 HydrophobicContact CD2-CB 4.3Å; M239-E264 HydrophobicContact CE-CB 3.83Å; M239-E264 WeakPolarHBondContact CE-O 3.29Å; E264-R268 HydrophobicContact CG-CG 4.23Å; E264-R268 VanDerWaalsContact CG-NH2 3.32Å; E264-R268 IonicContact OE1-CZ 2.88Å; E264-R268 IonicContact OE1-NE 2.68Å; E264-R268 PolarHBondContact OE1-NE 2.87Å; E264-R268 VanDerWaalsContact OE1-NE 3.13Å; E264-R268 IonicContact OE1-NH1 3.44Å; E264-R268 PolarHBondContact OE1-NH1 2.89Å; E264-R268 IonicContact OE1-NH2 2.7Å; E264-R268 PolarHBondContact OE1-NH2 3.06Å; E264-R268 IonicContact OE2-CZ 3.73Å; E264-R268 IonicContact OE2-NH2 3.2Å; E264-R268 PolarHBondContact OE2-NH2 3.46Å; E264-T314 PolarHBondContact O-OG1 2.85Å
265	D	98.6	Very high	97.6	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.011	10%	0.1	C	C	.	.	S	Bend	trans	-144.4	171.8	175.9	-70.6	-65.8	0	0	0	108.2	E263 T267 R268 L313 T314	E263-D265 PolarHBondContact N-O 2.96Å; D265-T267 VanDerWaalsContact C-N 3.26Å; D265-T267 PolarHBondContact O-N 2.86Å; D265-R268 IonicContact OD2-CZ 3.2Å; D265-R268 IonicContact OD2-NE 3.89Å; D265-R268 PolarHBondContact OD2-NE 2.87Å; D265-R268 IonicContact OD2-NH2 2.85Å; D265-R268 PolarHBondContact OD2-NH2 2.93Å; D265-L313 HydrophobicContact CB-CD2 4Å; D265-L313 WeakPolarHBondContact OD1-CB 3.43Å; D265-T314 VanDerWaalsContact OD1-CB 3.24Å; D265-T314 WeakPolarHBondContact OD1-CB 3.3Å; D265-T314 PolarHBondContact OD1-N 3.44Å; D265-T314 PolarHBondContact OD1-OG1 3.16Å
266	H	98.9	Very high	97.6	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.085	C	C	.	.	S	Bend	trans	-56.2	-45.5	176.6	-70.8	-170.6	0	0	0	111.1	I169 L172 S173 V186 I261 N262	I169-H266 PolarHBondContact N-ND1 3.29Å; L172-H266 PolarHBondContact O-CE1 2.92Å; S173-H266 PolarHBondContact O-NE2 3.49Å; V186-H266 HydrophobicContact CG1-CB 3.62Å; V186-H266 HydrophobicContact CG2-CB 4.49Å; V186-H266 WeakPolarHBondContact CG2-ND1 3.13Å; I261-H266 WeakPolarHBondContact CA-O 3.35Å; N262-H266 PolarHBondContact N-O 2.89Å
267	T	98.9	Very high	97.7	Very high	4 Å²	4	18.6 Å²	18.6	3%	0.025	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	144.2	172.7	65.1	0	0	0	0	111.9	G166 R167 V190 I259 W260 D265	G166-T267 CarbonylContact C-O 3.58Å; G166-T267 WeakPolarHBondContact CA-O 3.45Å; R167-T267 WeakPolarHBondContact CB-OG1 3.35Å; R167-T267 PolarHBondContact N-O 3.27Å; R167-T267 VanDerWaalsContact N-O 3.11Å; R167-T267 PolarHBondContact N-OG1 3.48Å; R167-T267 PolarHBondContact O-N 2.93Å; R167-T267 VanDerWaalsContact O-N 3.09Å; R167-T267 PolarHBondContact O-OG1 3.48Å; V190-T267 HydrophobicContact CB-CG2 4.33Å; V190-T267 HydrophobicContact CG1-CG2 3.83Å; V190-T267 HydrophobicContact CG2-CG2 3.53Å; I259-T267 HydrophobicContact CG2-CG2 4.32Å; W260-T267 CarbonylContact O-C 3.59Å; W260-T267 VanDerWaalsContact O-CA 3.24Å; W260-T267 WeakPolarHBondContact O-CA 3.41Å; D265-T267 VanDerWaalsContact C-N 3.26Å; D265-T267 PolarHBondContact O-N 2.86Å
268	R	98.5	Very high	97.7	Very high	4 Å²	4	18.6 Å²	18.6	2%	0.015	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	107.9	160.7	-69.5	-64.4	-172.4	124.8	6.3	109.5	T165 I259 W260 E264 D265 N318	T165-R268 CarbonylContact O-C 3.58Å; T165-R268 VanDerWaalsContact O-CA 3.31Å; T165-R268 WeakPolarHBondContact O-CA 3.4Å; T165-R268 WeakPolarHBondContact O-CD 3.34Å; I259-R268 VanDerWaalsContact CA-O 3.32Å; I259-R268 WeakPolarHBondContact CA-O 3.47Å; W260-R268 HydrophobicContact CB-CB 4.18Å; W260-R268 HydrophobicContact CE3-CB 4.36Å; W260-R268 PolarHBondContact N-O 3.41Å; W260-R268 PolarHBondContact O-N 3.47Å; E264-R268 HydrophobicContact CG-CG 4.23Å; E264-R268 VanDerWaalsContact CG-NH2 3.32Å; E264-R268 IonicContact OE1-CZ 2.88Å; E264-R268 IonicContact OE1-NE 2.68Å; E264-R268 PolarHBondContact OE1-NE 2.87Å; E264-R268 VanDerWaalsContact OE1-NE 3.13Å; E264-R268 IonicContact OE1-NH1 3.44Å; E264-R268 PolarHBondContact OE1-NH1 2.89Å; E264-R268 IonicContact OE1-NH2 2.7Å; E264-R268 PolarHBondContact OE1-NH2 3.06Å; E264-R268 IonicContact OE2-CZ 3.73Å; E264-R268 IonicContact OE2-NH2 3.2Å; E264-R268 PolarHBondContact OE2-NH2 3.46Å; D265-R268 IonicContact OD2-CZ 3.2Å; D265-R268 IonicContact OD2-NE 3.89Å; D265-R268 PolarHBondContact OD2-NE 2.87Å; D265-R268 IonicContact OD2-NH2 2.85Å; D265-R268 PolarHBondContact OD2-NH2 2.93Å; R268-N318 PolarHBondContact NH2-ND2 3.02Å
269	V	98.6	Very high	97.7	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.2	-179.6	-176	0	0	0	0	109.3	R164 T165 F257 I259 L289	R164-V269 CarbonylContact C-O 3.59Å; R164-V269 WeakPolarHBondContact CA-O 3.45Å; T165-V269 HydrophobicContact CG2-CB 4.28Å; T165-V269 PolarHBondContact N-O 2.94Å; T165-V269 PolarHBondContact O-N 3.35Å; F257-V269 HydrophobicContact CE1-CG1 4.47Å; F257-V269 HydrophobicContact CE2-CG1 3.5Å; F257-V269 VanDerWaalsContact CE2-CG1 3.5Å; F257-V269 HydrophobicContact CZ-CG1 3.4Å; I259-V269 HydrophobicContact CD1-CG1 4.46Å; I259-V269 HydrophobicContact CD1-CG2 4.3Å; I259-V269 HydrophobicContact CG1-CB 4.43Å; I259-V269 HydrophobicContact CG1-CG1 4.2Å; I259-V269 HydrophobicContact CG1-CG2 4.16Å; I259-V269 HydrophobicContact CG2-CG2 4.49Å; V269-L289 HydrophobicContact CB-CD1 4.13Å; V269-L289 HydrophobicContact CG1-CD1 4.1Å; V269-L289 HydrophobicContact CG2-CD1 3.92Å
270	I	98.6	Very high	97.7	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.015	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	130	-169.5	-59.6	160.3	0	0	0	108.9	R162 V163 R164 F257 L258 W260 M272	R162-I270 HydrophobicContact CG-CG2 4.1Å; V163-I270 WeakPolarHBondContact O-CA 3.24Å; R164-I270 HydrophobicContact CB-CG1 3.89Å; F257-I270 CarbonylContact C-O 3.51Å; F257-I270 WeakPolarHBondContact CA-O 3.4Å; F257-I270 VanDerWaalsContact CD2-O 3.29Å; F257-I270 WeakPolarHBondContact CD2-O 3.28Å; L258-I270 HydrophobicContact CB-CB 4.25Å; L258-I270 HydrophobicContact CD1-CG2 4.22Å; L258-I270 PolarHBondContact N-O 2.87Å; L258-I270 PolarHBondContact O-N 3.02Å; W260-I270 HydrophobicContact CD2-CD1 4.02Å; W260-I270 HydrophobicContact CG-CD1 4.37Å; W260-I270 HydrophobicContact CZ2-CD1 4.25Å; I270-M272 HydrophobicContact CG2-CB 4.46Å; I270-M272 HydrophobicContact CG2-CG 4.24Å; I270-M272 HydrophobicContact CG2-SD 4.02Å
271	S	98.6	Very high	97.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	131.2	163	-176.6	0	0	0	0	108.1	R162 V163 T256 V281 R284	R162-S271 CarbonylContact C-O 3.52Å; R162-S271 WeakPolarHBondContact CA-O 3.41Å; V163-S271 PolarHBondContact N-O 3.11Å; V163-S271 PolarHBondContact O-N 3.09Å; T256-S271 WeakPolarHBondContact O-CA 3.45Å; S271-V281 WeakPolarHBondContact CB-O 3.49Å; S271-V281 VanDerWaalsContact O-CG1 3.28Å; S271-V281 WeakPolarHBondContact O-CG1 3.06Å; S271-V281 PolarHBondContact OG-O 2.87Å; S271-R284 PolarHBondContact OG-NE 3.32Å; S271-R284 VanDerWaalsContact OG-NE 3.13Å; S271-R284 PolarHBondContact OG-NH2 2.94Å
272	M	96.8	Very high	97.7	Very high	42 Å²	42	25.9 Å²	25.9	21%	0.207	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	156.7	178.9	60.2	-171.2	-75.4	0	0	112.4	S161 R162 F224 T256 L258 I270 R284	S161-M272 VanDerWaalsContact O-CA 3.3Å; S161-M272 WeakPolarHBondContact O-CA 3.41Å; R162-M272 HydrophobicContact CB-CB 3.9Å; R162-M272 HydrophobicContact CG-CB 3.96Å; F224-M272 HydrophobicContact CD1-SD 4.47Å; F224-M272 HydrophobicContact CE1-CE 4.2Å; F224-M272 HydrophobicContact CE1-SD 4.22Å; T256-M272 WeakPolarHBondContact CA-O 3.29Å; T256-M272 PolarHBondContact O-N 3.45Å; L258-M272 HydrophobicContact CD1-CG 3.74Å; L258-M272 HydrophobicContact CD1-SD 3.87Å; I270-M272 HydrophobicContact CG2-CB 4.46Å; I270-M272 HydrophobicContact CG2-CG 4.24Å; I270-M272 HydrophobicContact CG2-SD 4.02Å; M272-R284 PolarHBondContact O-NH2 3.47Å
273	E	95.4	Very high	97.7	Very high	22 Å²	22	29.6 Å²	29.6	10%	0.103	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	163.4	170.1	65.9	-159.4	-132.7	0	0	110.9	S160 S161 R280 V281 R284	S160-E273 WeakPolarHBondContact CA-O 3.39Å; S160-E273 WeakPolarHBondContact CB-O 3.37Å; S161-E273 PolarHBondContact N-O 3.24Å; S161-E273 PolarHBondContact O-N 3.03Å; E273-R280 IonicContact OE1-CZ 3.42Å; E273-R280 IonicContact OE1-NE 3.31Å; E273-R280 PolarHBondContact OE1-NE 3.28Å; E273-R280 IonicContact OE1-NH2 3.39Å; E273-R280 PolarHBondContact OE1-NH2 2.98Å; E273-R280 IonicContact OE2-NE 3.5Å; E273-V281 HydrophobicContact CB-CG2 4.37Å; E273-V281 HydrophobicContact CG-CG2 3.37Å; E273-V281 WeakPolarHBondContact OE2-CG2 3.13Å; E273-R284 IonicContact OE2-CZ 3.89Å; E273-R284 IonicContact OE2-NH1 3.52Å; E273-R284 PolarHBondContact OE2-NH1 2.78Å; E273-R284 IonicContact OE2-NH2 3.02Å; E273-R284 PolarHBondContact OE2-NH2 3.01Å
274	K	94.9	Very high	97.9	Very high	166 Å²	166	29.5 Å²	29.5	72%	0.722	13%	0.132	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	153.4	167.9	-63.1	-66	-174.8	178.9	0	110
275	G	96.3	Very high	98	Very high	8 Å²	8	27.7 Å²	27.7	8%	0.082	12%	0.124	C	C	.	.	S	Bend	trans	81.4	-164.7	-179.6	0	0	0	0	0	114.3	E155 L159 S160 S161	E155-G275 WeakPolarHBondContact OE1-CA 3.46Å; L159-G275 PolarHBondContact O-N 2.86Å; S160-G275 CarbonylContact C-O 3.51Å; S160-G275 WeakPolarHBondContact CA-O 3.42Å; S161-G275 PolarHBondContact N-O 3.01Å; S161-G275 PolarHBondContact OG-O 3.5Å
276	G	96.7	Very high	98	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-105.6	4	-161.4	0	0	0	0	0	116.2	V152 F153 E155 M278	V152-G276 WeakPolarHBondContact CA-O 3.11Å; F153-G276 WeakPolarHBondContact CD2-O 3.4Å; F153-G276 PolarHBondContact N-O 2.75Å; E155-G276 PolarHBondContact OE1-N 2.81Å; G276-M278 VanDerWaalsContact C-N 3.29Å; G276-M278 PolarHBondContact O-N 3.25Å
277	N	98.4	Very high	98	Very high	36 Å²	36	32.9 Å²	32.9	19%	0.193	14%	0.144	C	C	.	.	B	Isolated β-bridge	trans	-83.7	67.7	-172.3	-164.8	-17.4	0	0	0	113	G151 K279 R280 V281	G151-N277 CarbonylContact O-C 3.6Å; N277-K279 PolarHBondContact O-N 2.89Å; N277-R280 HydrophobicContact CB-CB 4.33Å; N277-R280 PolarHBondContact O-N 2.89Å; N277-R280 WeakPolarHBondContact OD1-CB 3.23Å; N277-R280 PolarHBondContact OD1-N 3.01Å; N277-V281 WeakPolarHBondContact O-CG2 3.42Å; N277-V281 PolarHBondContact O-N 2.64Å; N277-V281 VanDerWaalsContact O-N 3.15Å
278	M	98.6	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-55.4	-34.3	175.9	-177.7	57.9	71.4	0	0	113.1	G151 F153 V163 G276 V281 F282 G326 V327 V382 I386	G151-M278 PolarHBondContact O-N 2.98Å; F153-M278 HydrophobicContact CD2-CB 4.3Å; F153-M278 HydrophobicContact CE2-CB 3.59Å; F153-M278 HydrophobicContact CE2-CE 4.18Å; F153-M278 HydrophobicContact CE2-CG 4.26Å; F153-M278 HydrophobicContact CZ-CB 4.16Å; V163-M278 HydrophobicContact CG2-SD 3.58Å; V163-M278 VanDerWaalsContact CG2-SD 3.58Å; G276-M278 VanDerWaalsContact C-N 3.29Å; G276-M278 PolarHBondContact O-N 3.25Å; M278-V281 PolarHBondContact O-N 3.37Å; M278-F282 WeakPolarHBondContact O-CB 3.28Å; M278-F282 PolarHBondContact O-N 3.17Å; M278-G326 WeakPolarHBondContact CE-O 3.41Å; M278-V327 HydrophobicContact CE-CG1 3.94Å; M278-V382 HydrophobicContact CG-CG1 4.1Å; M278-I386 HydrophobicContact CB-CG1 4.41Å; M278-I386 HydrophobicContact CG-CD1 4.22Å; M278-I386 HydrophobicContact CG-CG1 4.03Å
279	K	98.5	Very high	98	Very high	67 Å²	67	32.5 Å²	32.5	29%	0.291	14%	0.142	S	C	.	.	H	α-helix	trans	-61.2	-50.3	178.1	-179.1	168.3	179	164.7	0	111.4	I148 G151 N277 V281 F282 E283	I148-K279 HydrophobicContact CG2-CB 4.32Å; I148-K279 HydrophobicContact CG2-CG 4.29Å; I148-K279 PolarHBondContact O-NZ 3.14Å; G151-K279 PolarHBondContact O-N 3.2Å; N277-K279 PolarHBondContact O-N 2.89Å; K279-V281 VanDerWaalsContact C-N 3.35Å; K279-V281 PolarHBondContact O-N 2.95Å; K279-F282 PolarHBondContact O-N 2.88Å; K279-F282 VanDerWaalsContact O-N 3.15Å; K279-E283 WeakPolarHBondContact CE-OE1 3.33Å; K279-E283 HydrophobicContact CG-CG 4.47Å; K279-E283 WeakPolarHBondContact O-CG 3.27Å; K279-E283 PolarHBondContact O-N 3.2Å
280	R	98.5	Very high	98	Very high	125 Å²	125	37.3 Å²	37.3	47%	0.472	16%	0.163	S	C	.	.	H	α-helix	trans	-62.7	-40.7	177	-177.5	172	60.6	-165.1	-1.7	112.1	E273 N277 F282 E283 R284	E273-R280 IonicContact OE1-CZ 3.42Å; E273-R280 IonicContact OE1-NE 3.31Å; E273-R280 PolarHBondContact OE1-NE 3.28Å; E273-R280 IonicContact OE1-NH2 3.39Å; E273-R280 PolarHBondContact OE1-NH2 2.98Å; E273-R280 IonicContact OE2-NE 3.5Å; N277-R280 HydrophobicContact CB-CB 4.33Å; N277-R280 PolarHBondContact O-N 2.89Å; N277-R280 WeakPolarHBondContact OD1-CB 3.23Å; N277-R280 PolarHBondContact OD1-N 3.01Å; R280-F282 VanDerWaalsContact C-N 3.29Å; R280-F282 PolarHBondContact O-N 3.43Å; R280-E283 PolarHBondContact O-N 2.92Å; R280-R284 PolarHBondContact O-N 2.99Å
281	V	98.7	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-56.4	-45.8	173.4	175.9	0	0	0	0	110.8	V163 S271 E273 N277 M278 K279 F285	V163-V281 HydrophobicContact CB-CG1 4.22Å; V163-V281 HydrophobicContact CG2-CG1 3.82Å; S271-V281 WeakPolarHBondContact CB-O 3.49Å; S271-V281 VanDerWaalsContact O-CG1 3.28Å; S271-V281 WeakPolarHBondContact O-CG1 3.06Å; S271-V281 PolarHBondContact OG-O 2.87Å; E273-V281 HydrophobicContact CB-CG2 4.37Å; E273-V281 HydrophobicContact CG-CG2 3.37Å; E273-V281 WeakPolarHBondContact OE2-CG2 3.13Å; N277-V281 WeakPolarHBondContact O-CG2 3.42Å; N277-V281 PolarHBondContact O-N 2.64Å; N277-V281 VanDerWaalsContact O-N 3.15Å; M278-V281 PolarHBondContact O-N 3.37Å; K279-V281 VanDerWaalsContact C-N 3.35Å; K279-V281 PolarHBondContact O-N 2.95Å; V281-F285 VanDerWaalsContact O-CB 3.32Å; V281-F285 WeakPolarHBondContact O-CB 3.33Å; V281-F285 PolarHBondContact O-N 2.95Å
282	F	98.8	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-73.9	-33.9	-178.4	-171.8	-118.8	0	0	0	113.5	A145 I148 V163 M278 K279 R280 F285 C286 L323 E378 V379 V382	A145-F282 HydrophobicContact CB-CD1 3.82Å; A145-F282 HydrophobicContact CB-CE1 4.13Å; I148-F282 HydrophobicContact CD1-CD1 3.99Å; I148-F282 HydrophobicContact CD1-CE1 3.93Å; I148-F282 HydrophobicContact CG1-CD1 3.45Å; I148-F282 VanDerWaalsContact CG1-CD1 3.45Å; I148-F282 HydrophobicContact CG1-CE1 3.76Å; I148-F282 HydrophobicContact CG1-CG 4.5Å; V163-F282 HydrophobicContact CG1-CD2 4.23Å; V163-F282 HydrophobicContact CG2-CD2 4.37Å; M278-F282 WeakPolarHBondContact O-CB 3.28Å; M278-F282 PolarHBondContact O-N 3.17Å; K279-F282 PolarHBondContact O-N 2.88Å; K279-F282 VanDerWaalsContact O-N 3.15Å; R280-F282 VanDerWaalsContact C-N 3.29Å; R280-F282 PolarHBondContact O-N 3.43Å; F282-F285 HydrophobicContact CD2-CB 4.44Å; F282-F285 AromaticContact CD2-CD1 3.9Å; F282-F285 HydrophobicContact CD2-CD1 3.9Å; F282-F285 AromaticContact CE2-CD1 3.87Å; F282-F285 HydrophobicContact CE2-CD1 3.87Å; F282-F285 HydrophobicContact CE2-CE1 4.29Å; F282-F285 WeakPolarHBondContact O-CB 3.4Å; F282-F285 PolarHBondContact O-N 3.45Å; F282-C286 VanDerWaalsContact CE1-SG 3.59Å; F282-C286 VanDerWaalsContact CE2-SG 3.55Å; F282-C286 WeakPolarHBondContact CZ-SG 3.47Å; F282-C286 WeakPolarHBondContact O-CB 3.5Å; F282-C286 PolarHBondContact O-N 2.93Å; F282-C286 PolarHBondContact O-SG 3.29Å; F282-L323 HydrophobicContact CE2-CD1 4.1Å; F282-E378 HydrophobicContact CE2-CB 4.22Å; F282-E378 HydrophobicContact CZ-CB 3.99Å; F282-V379 HydrophobicContact CE1-CG2 3.96Å; F282-V379 HydrophobicContact CZ-CG2 4.26Å; F282-V382 HydrophobicContact CB-CG1 4.39Å; F282-V382 HydrophobicContact CD1-CG1 4.39Å; F282-V382 HydrophobicContact CD2-CG2 3.64Å; F282-V382 HydrophobicContact CE1-CG2 4.49Å; F282-V382 HydrophobicContact CE2-CG2 3.61Å; F282-V382 HydrophobicContact CG-CG1 4.19Å; F282-V382 HydrophobicContact CG-CG2 4.1Å; F282-V382 HydrophobicContact CZ-CG2 4.04Å
283	E	98.8	Very high	98.1	Very high	81 Å²	81	40 Å²	40	38%	0.379	18%	0.175	S	C	.	.	H	α-helix	trans	-61.1	-48.6	172.2	-75.4	169.8	173.7	0	0	111	A145 K279 R280 F285 C286 R287	A145-E283 HydrophobicContact CB-CB 4.32Å; A145-E283 HydrophobicContact CB-CG 3.74Å; K279-E283 WeakPolarHBondContact CE-OE1 3.33Å; K279-E283 HydrophobicContact CG-CG 4.47Å; K279-E283 WeakPolarHBondContact O-CG 3.27Å; K279-E283 PolarHBondContact O-N 3.2Å; R280-E283 PolarHBondContact O-N 2.92Å; E283-F285 VanDerWaalsContact C-N 3.35Å; E283-F285 PolarHBondContact O-N 3.35Å; E283-C286 PolarHBondContact O-N 3.28Å; E283-R287 WeakPolarHBondContact O-CB 3.25Å; E283-R287 PolarHBondContact O-N 2.8Å
284	R	98.8	Very high	98.2	Very high	18 Å²	18	43.4 Å²	43.4	7%	0.068	19%	0.187	C	C	.	.	H	α-helix	trans	-61.2	-43.5	174	-178	172.1	60.8	-102.3	2.9	111.5	L201 T256 S271 M272 E273 R280 R287 G288	L201-R284 HydrophobicContact CD2-CG 4.17Å; T256-R284 PolarHBondContact O-NE 2.91Å; T256-R284 PolarHBondContact O-NH2 3.48Å; S271-R284 PolarHBondContact OG-NE 3.32Å; S271-R284 VanDerWaalsContact OG-NE 3.13Å; S271-R284 PolarHBondContact OG-NH2 2.94Å; M272-R284 PolarHBondContact O-NH2 3.47Å; E273-R284 IonicContact OE2-CZ 3.89Å; E273-R284 IonicContact OE2-NH1 3.52Å; E273-R284 PolarHBondContact OE2-NH1 2.78Å; E273-R284 IonicContact OE2-NH2 3.02Å; E273-R284 PolarHBondContact OE2-NH2 3.01Å; R280-R284 PolarHBondContact O-N 2.99Å; R284-R287 PolarHBondContact O-N 3.4Å; R284-G288 PolarHBondContact O-N 2.92Å
285	F	98.8	Very high	98.4	Very high	1 Å²	1	36.1 Å²	36.1	0%	0.004	16%	0.156	C	C	.	.	H	α-helix	trans	-57.3	-52.6	176.7	177.5	-96.6	0	0	0	112.1	L143 V163 T165 V281 F282 E283 R287 G288 L289 L323	L143-F285 HydrophobicContact CD2-CE1 4.15Å; V163-F285 HydrophobicContact CB-CB 4.45Å; V163-F285 HydrophobicContact CB-CD2 4.14Å; V163-F285 HydrophobicContact CB-CG 4.19Å; V163-F285 HydrophobicContact CG1-CB 4.47Å; V163-F285 HydrophobicContact CG1-CD1 3.89Å; V163-F285 HydrophobicContact CG1-CD2 3.79Å; V163-F285 HydrophobicContact CG1-CE1 3.99Å; V163-F285 HydrophobicContact CG1-CE2 3.9Å; V163-F285 HydrophobicContact CG1-CG 3.78Å; V163-F285 HydrophobicContact CG1-CZ 3.98Å; T165-F285 HydrophobicContact CG2-CE2 3.84Å; T165-F285 HydrophobicContact CG2-CZ 3.46Å; T165-F285 VanDerWaalsContact CG2-CZ 3.46Å; V281-F285 VanDerWaalsContact O-CB 3.32Å; V281-F285 WeakPolarHBondContact O-CB 3.33Å; V281-F285 PolarHBondContact O-N 2.95Å; F282-F285 HydrophobicContact CD2-CB 4.44Å; F282-F285 AromaticContact CD2-CD1 3.9Å; F282-F285 HydrophobicContact CD2-CD1 3.9Å; F282-F285 AromaticContact CE2-CD1 3.87Å; F282-F285 HydrophobicContact CE2-CD1 3.87Å; F282-F285 HydrophobicContact CE2-CE1 4.29Å; F282-F285 WeakPolarHBondContact O-CB 3.4Å; F282-F285 PolarHBondContact O-N 3.45Å; E283-F285 VanDerWaalsContact C-N 3.35Å; E283-F285 PolarHBondContact O-N 3.35Å; F285-R287 PolarHBondContact O-N 3.47Å; F285-G288 PolarHBondContact O-N 3.45Å; F285-L289 HydrophobicContact CE1-CD2 3.88Å; F285-L289 HydrophobicContact CZ-CD2 3.86Å; F285-L289 VanDerWaalsContact O-CB 3.22Å; F285-L289 WeakPolarHBondContact O-CB 3.33Å; F285-L289 PolarHBondContact O-N 2.87Å; F285-L323 HydrophobicContact CE1-CD1 4.09Å; F285-L323 HydrophobicContact CZ-CD1 4.44Å
286	C	98.8	Very high	98.5	Very high	4 Å²	4	35.8 Å²	35.8	3%	0.027	15%	0.152	C	C	.	.	H	α-helix	trans	-63.2	-42.5	-178.9	-69.8	0	0	0	0	112	L143 A145 F282 E283 K290	L143-C286 HydrophobicContact CB-CB 4.45Å; A145-C286 HydrophobicContact CB-CB 4.21Å; F282-C286 VanDerWaalsContact CE1-SG 3.59Å; F282-C286 VanDerWaalsContact CE2-SG 3.55Å; F282-C286 WeakPolarHBondContact CZ-SG 3.47Å; F282-C286 WeakPolarHBondContact O-CB 3.5Å; F282-C286 PolarHBondContact O-N 2.93Å; F282-C286 PolarHBondContact O-SG 3.29Å; E283-C286 PolarHBondContact O-N 3.28Å; C286-K290 VanDerWaalsContact O-CG 3.29Å; C286-K290 WeakPolarHBondContact O-CG 3.3Å; C286-K290 PolarHBondContact O-N 3.17Å; C286-K290 VanDerWaalsContact O-N 3.16Å
287	R	98.8	Very high	98.5	Very high	109 Å²	109	40.7 Å²	40.7	41%	0.411	18%	0.175	S	C	.	.	H	α-helix	trans	-66.2	-48.3	178.9	-179	173.2	54.4	93.4	6	111.5	D200 L201 E283 R284 F285 L289 K290 E291	D200-R287 IonicContact OD1-CZ 3.61Å; D200-R287 VanDerWaalsContact OD1-CZ 3.28Å; D200-R287 IonicContact OD1-NH1 2.81Å; D200-R287 PolarHBondContact OD1-NH1 3.21Å; D200-R287 IonicContact OD1-NH2 3.7Å; D200-R287 PolarHBondContact OD1-NH2 2.96Å; D200-R287 IonicContact OD2-CZ 2.89Å; D200-R287 IonicContact OD2-NH1 3.75Å; D200-R287 IonicContact OD2-NH2 3.54Å; D200-R287 PolarHBondContact OD2-NH2 3.35Å; L201-R287 HydrophobicContact CD1-CG 4.43Å; E283-R287 WeakPolarHBondContact O-CB 3.25Å; E283-R287 PolarHBondContact O-N 2.8Å; R284-R287 PolarHBondContact O-N 3.4Å; F285-R287 PolarHBondContact O-N 3.47Å; R287-L289 PolarHBondContact O-N 3.29Å; R287-K290 PolarHBondContact O-N 2.75Å; R287-E291 WeakPolarHBondContact O-CB 3.47Å; R287-E291 PolarHBondContact O-N 2.81Å
288	G	98.6	Very high	98.4	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.1	-44.9	178.6	0	0	0	0	0	112.1	R284 F285 K290 E291 V292	R284-G288 PolarHBondContact O-N 2.92Å; F285-G288 PolarHBondContact O-N 3.45Å; G288-K290 PolarHBondContact O-N 3.24Å; G288-E291 PolarHBondContact O-N 3.1Å; G288-V292 VanDerWaalsContact O-CG2 3.28Å; G288-V292 WeakPolarHBondContact O-CG2 3.34Å; G288-V292 PolarHBondContact O-N 3.25Å
289	L	98.2	Very high	98.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-64.2	-42	-179.2	-166.9	61.9	0	0	0	112.8	L143 T165 R167 V269 F285 R287 E293	L143-L289 HydrophobicContact CD1-CD2 3.97Å; L143-L289 HydrophobicContact CD2-CD2 4.21Å; T165-L289 HydrophobicContact CG2-CD1 4.2Å; T165-L289 HydrophobicContact CG2-CD2 3.98Å; R167-L289 HydrophobicContact CG-CD1 4.05Å; V269-L289 HydrophobicContact CB-CD1 4.13Å; V269-L289 HydrophobicContact CG1-CD1 4.1Å; V269-L289 HydrophobicContact CG2-CD1 3.92Å; F285-L289 HydrophobicContact CE1-CD2 3.88Å; F285-L289 HydrophobicContact CZ-CD2 3.86Å; F285-L289 VanDerWaalsContact O-CB 3.22Å; F285-L289 WeakPolarHBondContact O-CB 3.33Å; F285-L289 PolarHBondContact O-N 2.87Å; R287-L289 PolarHBondContact O-N 3.29Å; L289-E293 WeakPolarHBondContact O-CB 3.48Å; L289-E293 PolarHBondContact O-N 3.47Å
290	K	98.6	Very high	98.1	Very high	101 Å²	101	49.5 Å²	49.5	44%	0.439	22%	0.223	S	C	.	.	H	α-helix	trans	-64	-40.3	175	-73.4	174.8	-173.2	174.5	0	112.1	L143 C286 R287 G288 E293 R294	L143-K290 WeakPolarHBondContact O-CE 3.43Å; L143-K290 PolarHBondContact O-NZ 3.13Å; C286-K290 VanDerWaalsContact O-CG 3.29Å; C286-K290 WeakPolarHBondContact O-CG 3.3Å; C286-K290 PolarHBondContact O-N 3.17Å; C286-K290 VanDerWaalsContact O-N 3.16Å; R287-K290 PolarHBondContact O-N 2.75Å; G288-K290 PolarHBondContact O-N 3.24Å; K290-E293 PolarHBondContact O-N 2.86Å; K290-R294 WeakPolarHBondContact O-CB 3.49Å; K290-R294 PolarHBondContact O-N 3.43Å
291	E	98.8	Very high	98.1	Very high	58 Å²	58	45 Å²	45	27%	0.271	21%	0.206	S	C	.	.	H	α-helix	trans	-70.4	-39.7	-179.9	-173.9	60.9	-168.1	0	0	111.9	L197 R287 G288 R294 L295	L197-E291 HydrophobicContact CD2-CB 4.06Å; L197-E291 HydrophobicContact CD2-CG 3.53Å; R287-E291 WeakPolarHBondContact O-CB 3.47Å; R287-E291 PolarHBondContact O-N 2.81Å; G288-E291 PolarHBondContact O-N 3.1Å; E291-R294 VanDerWaalsContact CD-NE 3.33Å; E291-R294 PolarHBondContact O-N 3.45Å; E291-R294 IonicContact OE1-CZ 3.04Å; E291-R294 IonicContact OE1-NE 3.72Å; E291-R294 PolarHBondContact OE1-NE 2.77Å; E291-R294 IonicContact OE1-NH2 2.77Å; E291-R294 PolarHBondContact OE1-NH2 3.36Å; E291-R294 IonicContact OE2-CZ 3.28Å; E291-R294 IonicContact OE2-NE 3.75Å; E291-R294 PolarHBondContact OE2-NE 2.88Å; E291-R294 IonicContact OE2-NH2 3.78Å; E291-L295 HydrophobicContact CG-CD1 4.02Å; E291-L295 WeakPolarHBondContact O-CB 3.34Å; E291-L295 WeakPolarHBondContact O-CD1 3.5Å; E291-L295 VanDerWaalsContact O-CG 3.3Å; E291-L295 WeakPolarHBondContact O-CG 3.32Å; E291-L295 PolarHBondContact O-N 2.7Å
292	V	98.6	Very high	98.1	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-60.9	-45.9	172.3	172.3	0	0	0	0	110.8	L194 L197 I259 G288 R294 L295 I296 F303	L194-V292 HydrophobicContact CD2-CG1 4.26Å; L194-V292 HydrophobicContact CD2-CG2 3.67Å; L197-V292 HydrophobicContact CD1-CG2 4.11Å; L197-V292 HydrophobicContact CD2-CG2 4.22Å; I259-V292 HydrophobicContact CD1-CG2 4.05Å; G288-V292 VanDerWaalsContact O-CG2 3.28Å; G288-V292 WeakPolarHBondContact O-CG2 3.34Å; G288-V292 PolarHBondContact O-N 3.25Å; V292-R294 PolarHBondContact O-N 3.24Å; V292-L295 PolarHBondContact O-N 2.81Å; V292-I296 HydrophobicContact CG1-CD1 3.76Å; V292-I296 HydrophobicContact CG1-CG1 4.47Å; V292-I296 WeakPolarHBondContact O-CB 3.49Å; V292-I296 VanDerWaalsContact O-CG1 3.32Å; V292-I296 WeakPolarHBondContact O-CG1 3.29Å; V292-I296 PolarHBondContact O-N 3.1Å; V292-F303 HydrophobicContact CG1-CZ 4.32Å
293	E	98.3	Very high	98.1	Very high	38 Å²	38	49.3 Å²	49.3	18%	0.178	23%	0.226	C	C	.	.	H	α-helix	trans	-59.3	-46.2	177	-169.9	162.7	-152.5	0	0	111.6	L289 K290 L295 I296 Q297 F303 Y311	L289-E293 WeakPolarHBondContact O-CB 3.48Å; L289-E293 PolarHBondContact O-N 3.47Å; K290-E293 PolarHBondContact O-N 2.86Å; E293-L295 PolarHBondContact O-N 3.09Å; E293-I296 PolarHBondContact O-N 3.08Å; E293-Q297 WeakPolarHBondContact O-CB 3.4Å; E293-Q297 VanDerWaalsContact O-CG 3.29Å; E293-Q297 WeakPolarHBondContact O-CG 3.32Å; E293-Q297 PolarHBondContact O-N 3.39Å; E293-F303 HydrophobicContact CB-CD2 4.2Å; E293-F303 HydrophobicContact CB-CE2 3.65Å; E293-F303 HydrophobicContact CG-CD2 3.72Å; E293-F303 HydrophobicContact CG-CE2 3.72Å; E293-F303 WeakPolarHBondContact OE1-CD2 3.19Å; E293-Y311 PolarHBondContact OE1-OH 3.48Å
294	R	98.6	Very high	98.1	Very high	94 Å²	94	45.6 Å²	45.6	36%	0.355	21%	0.208	S	C	.	.	H	α-helix	trans	-56.8	-48.1	176.6	-168.1	-167.9	71.3	66.7	9.9	111.7	K290 E291 V292 I296 Q297 E298	K290-R294 WeakPolarHBondContact O-CB 3.49Å; K290-R294 PolarHBondContact O-N 3.43Å; E291-R294 VanDerWaalsContact CD-NE 3.33Å; E291-R294 PolarHBondContact O-N 3.45Å; E291-R294 IonicContact OE1-CZ 3.04Å; E291-R294 IonicContact OE1-NE 3.72Å; E291-R294 PolarHBondContact OE1-NE 2.77Å; E291-R294 IonicContact OE1-NH2 2.77Å; E291-R294 PolarHBondContact OE1-NH2 3.36Å; E291-R294 IonicContact OE2-CZ 3.28Å; E291-R294 IonicContact OE2-NE 3.75Å; E291-R294 PolarHBondContact OE2-NE 2.88Å; E291-R294 IonicContact OE2-NH2 3.78Å; V292-R294 PolarHBondContact O-N 3.24Å; R294-I296 PolarHBondContact O-N 2.66Å; R294-Q297 PolarHBondContact O-N 3.43Å; R294-E298 IonicContact CZ-OE1 3.75Å; R294-E298 IonicContact CZ-OE2 3.52Å; R294-E298 IonicContact NH1-OE1 2.72Å; R294-E298 PolarHBondContact NH1-OE1 3.2Å; R294-E298 IonicContact NH1-OE2 2.67Å; R294-E298 PolarHBondContact NH1-OE2 2.88Å; R294-E298 IonicContact NH2-OE2 3.96Å; R294-E298 WeakPolarHBondContact O-CG 3.44Å; R294-E298 PolarHBondContact O-N 2.98Å
295	L	98.5	Very high	98.1	Very high	13 Å²	13	49 Å²	49	7%	0.068	22%	0.221	C	C	.	.	H	α-helix	trans	-67.8	-32.8	-178.8	-72.2	163.3	0	0	0	113	A193 L197 E291 V292 E293	A193-L295 HydrophobicContact CB-CB 3.97Å; A193-L295 WeakPolarHBondContact O-CD1 3.24Å; L197-L295 HydrophobicContact CD2-CD1 3.77Å; L197-L295 HydrophobicContact CG-CD1 4.21Å; E291-L295 HydrophobicContact CG-CD1 4.02Å; E291-L295 WeakPolarHBondContact O-CB 3.34Å; E291-L295 WeakPolarHBondContact O-CD1 3.5Å; E291-L295 VanDerWaalsContact O-CG 3.3Å; E291-L295 WeakPolarHBondContact O-CG 3.32Å; E291-L295 PolarHBondContact O-N 2.7Å; V292-L295 PolarHBondContact O-N 2.81Å; E293-L295 PolarHBondContact O-N 3.09Å
296	I	97.6	Very high	98	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-69.6	-43.8	173.4	-72.4	173.2	0	0	0	110.2	I169 A193 V292 E293 R294 E298 R299 W301 F303	I169-I296 HydrophobicContact CD1-CD1 3.96Å; I169-I296 HydrophobicContact CD1-CG2 4.29Å; A193-I296 HydrophobicContact CB-CD1 4.43Å; A193-I296 HydrophobicContact CB-CG1 3.52Å; V292-I296 HydrophobicContact CG1-CD1 3.76Å; V292-I296 HydrophobicContact CG1-CG1 4.47Å; V292-I296 WeakPolarHBondContact O-CB 3.49Å; V292-I296 VanDerWaalsContact O-CG1 3.32Å; V292-I296 WeakPolarHBondContact O-CG1 3.29Å; V292-I296 PolarHBondContact O-N 3.1Å; E293-I296 PolarHBondContact O-N 3.08Å; R294-I296 PolarHBondContact O-N 2.66Å; I296-E298 PolarHBondContact O-N 2.95Å; I296-R299 PolarHBondContact O-N 2.68Å; I296-R299 VanDerWaalsContact O-N 3.14Å; I296-W301 HydrophobicContact CG2-CB 3.48Å; I296-W301 VanDerWaalsContact CG2-CB 3.48Å; I296-W301 PolarHBondContact O-N 3.3Å; I296-F303 HydrophobicContact CD1-CE1 3.52Å; I296-F303 HydrophobicContact CD1-CZ 3.57Å
297	Q	97.5	Very high	98	Very high	104 Å²	104	55.1 Å²	55.1	49%	0.486	25%	0.251	S	S	.	.	H	α-helix	trans	-63.9	-38.3	177.5	-74.3	174.2	-7.6	0	0	113.1	E293 R294 R299 G300 W301	E293-Q297 WeakPolarHBondContact O-CB 3.4Å; E293-Q297 VanDerWaalsContact O-CG 3.29Å; E293-Q297 WeakPolarHBondContact O-CG 3.32Å; E293-Q297 PolarHBondContact O-N 3.39Å; R294-Q297 PolarHBondContact O-N 3.43Å; Q297-R299 PolarHBondContact O-N 3.37Å; Q297-R299 VanDerWaalsContact O-N 3.08Å; Q297-G300 PolarHBondContact O-N 2.6Å; Q297-W301 VanDerWaalsContact CA-O 3.3Å; Q297-W301 WeakPolarHBondContact CA-O 3.3Å
298	E	96.6	Very high	98	Very high	129 Å²	129	52.6 Å²	52.6	60%	0.603	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.3	174.3	-79.4	-176.6	150.6	0	0	113.3	R294 I296	R294-E298 IonicContact CZ-OE1 3.75Å; R294-E298 IonicContact CZ-OE2 3.52Å; R294-E298 IonicContact NH1-OE1 2.72Å; R294-E298 PolarHBondContact NH1-OE1 3.2Å; R294-E298 IonicContact NH1-OE2 2.67Å; R294-E298 PolarHBondContact NH1-OE2 2.88Å; R294-E298 IonicContact NH2-OE2 3.96Å; R294-E298 WeakPolarHBondContact O-CG 3.44Å; R294-E298 PolarHBondContact O-N 2.98Å; I296-E298 PolarHBondContact O-N 2.95Å
299	R	93.4	Very high	98	Very high	116 Å²	116	52.6 Å²	52.6	44%	0.438	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	9.1	178.3	-61.4	179.7	-179.8	-122.7	9.6	113.1	D192 I296 Q297	D192-R299 VanDerWaalsContact CB-CZ 3.45Å; D192-R299 PolarHBondContact O-NH2 2.72Å; D192-R299 IonicContact OD1-NH1 3.25Å; D192-R299 IonicContact OD2-CZ 3.37Å; D192-R299 IonicContact OD2-NH1 3.05Å; D192-R299 PolarHBondContact OD2-NH1 3.18Å; I296-R299 PolarHBondContact O-N 2.68Å; I296-R299 VanDerWaalsContact O-N 3.14Å; Q297-R299 PolarHBondContact O-N 3.37Å; Q297-R299 VanDerWaalsContact O-N 3.08Å
300	G	96.8	Very high	98	Very high	43 Å²	43	52.6 Å²	52.6	44%	0.443	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.6	14.8	176.5	0	0	0	0	0	115.1	Q297	Q297-G300 PolarHBondContact O-N 2.6Å
301	W	98.5	Very high	98	Very high	30 Å²	30	48.5 Å²	48.5	11%	0.114	22%	0.223	C	C	.	.			trans	-103.9	153.7	177.5	-66.3	91.9	0	0	0	111.5	I169 L172 E185 V189 I296 Q297	I169-W301 HydrophobicContact CG2-CB 4.33Å; I169-W301 HydrophobicContact CG2-CD2 4.03Å; I169-W301 HydrophobicContact CG2-CE3 3.38Å; I169-W301 HydrophobicContact CG2-CG 4.44Å; I169-W301 HydrophobicContact CG2-CZ3 4Å; L172-W301 HydrophobicContact CD1-CE3 4.47Å; L172-W301 HydrophobicContact CD1-CH2 3.97Å; L172-W301 HydrophobicContact CD1-CZ3 3.72Å; L172-W301 HydrophobicContact CG-CH2 4.33Å; L172-W301 HydrophobicContact CG-CZ3 3.97Å; E185-W301 HydrophobicContact CG-CH2 4.05Å; E185-W301 HydrophobicContact CG-CZ2 4.17Å; E185-W301 WeakPolarHBondContact OE1-CZ2 3.36Å; V189-W301 HydrophobicContact CG1-CB 4.28Å; V189-W301 HydrophobicContact CG1-CD2 4.18Å; V189-W301 HydrophobicContact CG1-CG 3.81Å; V189-W301 HydrophobicContact CG2-CD2 4.02Å; V189-W301 VanDerWaalsContact CG2-CE2 3.43Å; V189-W301 HydrophobicContact CG2-CG 4.34Å; V189-W301 HydrophobicContact CG2-CH2 4.46Å; V189-W301 HydrophobicContact CG2-CZ2 3.69Å; I296-W301 HydrophobicContact CG2-CB 3.48Å; I296-W301 VanDerWaalsContact CG2-CB 3.48Å; I296-W301 PolarHBondContact O-N 3.3Å; Q297-W301 VanDerWaalsContact CA-O 3.3Å; Q297-W301 WeakPolarHBondContact CA-O 3.3Å
302	E	98.1	Very high	98	Very high	82 Å²	82	45.8 Å²	45.8	38%	0.383	21%	0.21	S	C	.	.			trans	-126	157.8	177	-61.9	-174	143.8	0	0	110.6	R170	R170-E302 HydrophobicContact CB-CB 4.23Å; R170-E302 WeakPolarHBondContact CB-O 3.42Å; R170-E302 IonicContact CZ-OE2 2.76Å; R170-E302 PolarHBondContact N-O 3.04Å; R170-E302 IonicContact NH1-OE2 3.23Å; R170-E302 PolarHBondContact NH1-OE2 3Å
303	F	98.7	Very high	98	Very high	9 Å²	9	45.5 Å²	45.5	4%	0.039	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-80.4	144.1	163	-67.5	-41.4	0	0	0	111.3	R167 S168 I169 V292 E293 I296 W305 Y311	R167-F303 HydrophobicContact CB-CD1 3.65Å; R167-F303 HydrophobicContact CB-CD2 4.31Å; R167-F303 HydrophobicContact CB-CE1 3.46Å; R167-F303 VanDerWaalsContact CB-CE1 3.46Å; R167-F303 HydrophobicContact CB-CE2 4.14Å; R167-F303 HydrophobicContact CB-CG 4.08Å; R167-F303 HydrophobicContact CB-CZ 3.72Å; R167-F303 HydrophobicContact CG-CD1 4.3Å; R167-F303 HydrophobicContact CG-CD2 4.06Å; R167-F303 HydrophobicContact CG-CE1 4.05Å; R167-F303 HydrophobicContact CG-CE2 3.78Å; R167-F303 HydrophobicContact CG-CG 4.3Å; R167-F303 HydrophobicContact CG-CZ 3.77Å; S168-F303 CarbonylContact O-C 3.44Å; S168-F303 VanDerWaalsContact O-CA 3.23Å; S168-F303 WeakPolarHBondContact O-CA 3.37Å; I169-F303 HydrophobicContact CD1-CD1 3.95Å; I169-F303 HydrophobicContact CD1-CE1 3.73Å; V292-F303 HydrophobicContact CG1-CZ 4.32Å; E293-F303 HydrophobicContact CB-CD2 4.2Å; E293-F303 HydrophobicContact CB-CE2 3.65Å; E293-F303 HydrophobicContact CG-CD2 3.72Å; E293-F303 HydrophobicContact CG-CE2 3.72Å; E293-F303 WeakPolarHBondContact OE1-CD2 3.19Å; I296-F303 HydrophobicContact CD1-CE1 3.52Å; I296-F303 HydrophobicContact CD1-CZ 3.57Å; F303-W305 PolarHBondContact O-N 3.44Å; F303-W305 VanDerWaalsContact O-N 3.15Å; F303-Y311 HydrophobicContact CB-CD1 4.21Å; F303-Y311 HydrophobicContact CB-CE1 4.04Å; F303-Y311 HydrophobicContact CD2-CE1 4.18Å
304	M	98.8	Very high	98	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.015	20%	0.201	C	C	.	.			trans	-64.9	113.2	170.1	-59.5	-179.6	-178.6	0	0	109.4	E111 S168 I169 R170 L172 L174 I312	E111-M304 HydrophobicContact CB-CE 4.3Å; E111-M304 HydrophobicContact CB-CG 4.3Å; E111-M304 HydrophobicContact CB-SD 3.8Å; E111-M304 HydrophobicContact CG-CB 4.26Å; E111-M304 HydrophobicContact CG-CG 4.29Å; E111-M304 HydrophobicContact CG-SD 4.26Å; S168-M304 VanDerWaalsContact CB-SD 3.5Å; S168-M304 PolarHBondContact O-N 3.4Å; I169-M304 VanDerWaalsContact O-CE 3.23Å; I169-M304 WeakPolarHBondContact O-CE 3.18Å; R170-M304 HydrophobicContact CB-CG 4.07Å; L172-M304 WeakPolarHBondContact O-CE 3.21Å; L174-M304 HydrophobicContact CD2-CE 4.05Å; L174-M304 HydrophobicContact CD2-SD 3.96Å; L174-M304 HydrophobicContact CG-CE 4.48Å; M304-I312 HydrophobicContact CB-CB 3.73Å; M304-I312 HydrophobicContact CB-CG1 4.26Å; M304-I312 HydrophobicContact CB-CG2 4.44Å; M304-I312 PolarHBondContact O-N 3.49Å; M304-I312 HydrophobicContact SD-CB 4.48Å; M304-I312 HydrophobicContact SD-CG2 4.24Å
305	W	98.7	Very high	98	Very high	89 Å²	89	40.8 Å²	40.8	34%	0.337	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	140.3	-179	-178.9	98.9	0	0	0	111.4	R170 F303 E307 G310 Y311	R170-W305 PolarHBondContact NH2-O 3.48Å; F303-W305 PolarHBondContact O-N 3.44Å; F303-W305 VanDerWaalsContact O-N 3.15Å; W305-E307 HydrophobicContact CH2-CB 4.32Å; W305-G310 VanDerWaalsContact CA-O 3.3Å; W305-G310 WeakPolarHBondContact CA-O 2.99Å; W305-Y311 HydrophobicContact CB-CD1 4.09Å; W305-Y311 HydrophobicContact CB-CE1 4.3Å; W305-Y311 AromaticContact CD1-CD1 3.8Å; W305-Y311 AromaticContact CD1-CD2 3.83Å; W305-Y311 AromaticContact CD1-CE1 3.94Å; W305-Y311 AromaticContact CD1-CE2 3.95Å; W305-Y311 AromaticContact CD1-CG 3.77Å; W305-Y311 HydrophobicContact CG-CD1 4.34Å; W305-Y311 HydrophobicContact CG-CE1 4.43Å
306	N	98.4	Very high	98	Very high	32 Å²	32	40.1 Å²	40.1	17%	0.171	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	165.1	168.1	68	54	0	0	0	111.9	R308 L309 G310	N306-R308 VanDerWaalsContact C-N 3.34Å; N306-R308 PolarHBondContact O-N 3.33Å; N306-R308 WeakPolarHBondContact OD1-CG 3.23Å; N306-R308 PolarHBondContact OD1-N 3.47Å; N306-L309 WeakPolarHBondContact OD1-CB 3.49Å; N306-L309 PolarHBondContact OD1-N 2.94Å; N306-G310 PolarHBondContact N-O 3Å; N306-G310 VanDerWaalsContact O-CA 3.28Å; N306-G310 WeakPolarHBondContact O-CA 3.34Å; N306-G310 PolarHBondContact O-N 3Å
307	E	98.1	Very high	97.9	Very high	102 Å²	102	40.9 Å²	40.9	48%	0.477	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-28	-171.8	59.9	168.1	-155.3	0	0	114.7	K138 H139 W305	K138-E307 WeakPolarHBondContact CA-O 3.43Å; K138-E307 VanDerWaalsContact CE-OE1 3.26Å; K138-E307 WeakPolarHBondContact CE-OE1 3.39Å; K138-E307 WeakPolarHBondContact CE-OE2 3.43Å; K138-E307 IonicContact NZ-OE1 3.04Å; K138-E307 PolarHBondContact NZ-OE1 2.93Å; K138-E307 IonicContact NZ-OE2 2.71Å; K138-E307 PolarHBondContact NZ-OE2 2.91Å; H139-E307 PolarHBondContact N-O 3.38Å; W305-E307 HydrophobicContact CH2-CB 4.32Å
308	R	98	Very high	97.9	Very high	56 Å²	56	36.4 Å²	36.4	21%	0.211	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-29.7	-176.8	58.6	156.6	-165.6	123.2	-0.9	113	Y114 D122 Y132 P134 N306	Y114-R308 PolarHBondContact O-NH2 2.89Å; D122-R308 IonicContact OD1-NH1 2.96Å; D122-R308 PolarHBondContact OD1-NH1 2.67Å; Y132-R308 WeakPolarHBondContact CE1-O 3.47Å; Y132-R308 PolarHBondContact OH-O 3.17Å; P134-R308 WeakPolarHBondContact O-CB 3.4Å; N306-R308 VanDerWaalsContact C-N 3.34Å; N306-R308 PolarHBondContact O-N 3.33Å; N306-R308 WeakPolarHBondContact OD1-CG 3.23Å; N306-R308 PolarHBondContact OD1-N 3.47Å
309	L	98.6	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.8	-7.5	-175.5	-63.1	-171.3	0	0	0	113.5	Y114 I125 P134 N306 I312 L319 G320	Y114-L309 HydrophobicContact CD1-CD1 3.69Å; Y114-L309 HydrophobicContact CE1-CD1 4.48Å; Y114-L309 HydrophobicContact CG-CD1 3.75Å; I125-L309 HydrophobicContact CD1-CD2 3.96Å; P134-L309 HydrophobicContact CB-CD2 3.54Å; P134-L309 HydrophobicContact CG-CD2 4.37Å; N306-L309 WeakPolarHBondContact OD1-CB 3.49Å; N306-L309 PolarHBondContact OD1-N 2.94Å; L309-I312 HydrophobicContact CB-CD1 3.52Å; L309-I312 HydrophobicContact CD1-CD1 3.59Å; L309-I312 HydrophobicContact CG-CD1 4.18Å; L309-L319 HydrophobicContact CB-CD2 4.44Å; L309-L319 HydrophobicContact CD1-CD1 4.27Å; L309-L319 HydrophobicContact CD1-CD2 4.5Å; L309-L319 HydrophobicContact CD2-CD1 4.16Å; L309-G320 WeakPolarHBondContact O-CA 3.21Å; L309-G320 PolarHBondContact O-N 3.19Å
310	G	98.7	Very high	98.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.5	-140.3	-171.4	0	0	0	0	0	111.6	H139 W305 N306	H139-G310 VanDerWaalsContact CD2-CA 3.45Å; H139-G310 WeakPolarHBondContact CD2-CA 3.35Å; W305-G310 VanDerWaalsContact CA-O 3.3Å; W305-G310 WeakPolarHBondContact CA-O 2.99Å; N306-G310 PolarHBondContact N-O 3Å; N306-G310 VanDerWaalsContact O-CA 3.28Å; N306-G310 WeakPolarHBondContact O-CA 3.34Å; N306-G310 PolarHBondContact O-N 3Å
311	Y	98.8	Very high	98.3	Very high	14 Å²	14	22.7 Å²	22.7	6%	0.055	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	132.1	174.9	-69.7	-78.9	0	0	0	110.7	T141 R167 E293 F303 W305 G320	T141-Y311 HydrophobicContact CG2-CE2 4.14Å; R167-Y311 VanDerWaalsContact CD-CD1 3.47Å; R167-Y311 VanDerWaalsContact CZ-CD2 3.42Å; R167-Y311 VanDerWaalsContact CZ-CE2 3.47Å; R167-Y311 VanDerWaalsContact NH2-CD2 3.3Å; E293-Y311 PolarHBondContact OE1-OH 3.48Å; F303-Y311 HydrophobicContact CB-CD1 4.21Å; F303-Y311 HydrophobicContact CB-CE1 4.04Å; F303-Y311 HydrophobicContact CD2-CE1 4.18Å; W305-Y311 HydrophobicContact CB-CD1 4.09Å; W305-Y311 HydrophobicContact CB-CE1 4.3Å; W305-Y311 AromaticContact CD1-CD1 3.8Å; W305-Y311 AromaticContact CD1-CD2 3.83Å; W305-Y311 AromaticContact CD1-CE1 3.94Å; W305-Y311 AromaticContact CD1-CE2 3.95Å; W305-Y311 AromaticContact CD1-CG 3.77Å; W305-Y311 HydrophobicContact CG-CD1 4.34Å; W305-Y311 HydrophobicContact CG-CE1 4.43Å; Y311-G320 WeakPolarHBondContact CB-O 3.39Å; Y311-G320 PolarHBondContact N-O 3.45Å; Y311-G320 PolarHBondContact O-N 3.4Å
312	I	98.9	Very high	98.3	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.1	C	C	.	.			trans	-88.9	130.6	-179.1	-58.8	-61	0	0	0	110.1	E111 Y114 S168 M304 L309 L319	E111-I312 HydrophobicContact CG-CG1 4.41Å; Y114-I312 HydrophobicContact CD2-CD1 4.26Å; Y114-I312 HydrophobicContact CD2-CG2 3.65Å; Y114-I312 HydrophobicContact CE2-CG2 3.51Å; S168-I312 WeakPolarHBondContact CB-O 2.94Å; S168-I312 PolarHBondContact OG-O 3.18Å; M304-I312 HydrophobicContact CB-CB 3.73Å; M304-I312 HydrophobicContact CB-CG1 4.26Å; M304-I312 HydrophobicContact CB-CG2 4.44Å; M304-I312 PolarHBondContact O-N 3.49Å; M304-I312 HydrophobicContact SD-CB 4.48Å; M304-I312 HydrophobicContact SD-CG2 4.24Å; L309-I312 HydrophobicContact CB-CD1 3.52Å; L309-I312 HydrophobicContact CD1-CD1 3.59Å; L309-I312 HydrophobicContact CG-CD1 4.18Å; I312-L319 HydrophobicContact CD1-CD2 3.89Å
313	L	98.9	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.081	C	C	.	.			trans	-134.3	169.4	175.6	-68.1	177.1	0	0	0	110.1	Y114 G166 S168 D265 C315 N318	Y114-L313 WeakPolarHBondContact CE2-O 3.24Å; Y114-L313 PolarHBondContact OH-O 3.06Å; G166-L313 VanDerWaalsContact C-CD2 3.42Å; S168-L313 WeakPolarHBondContact OG-CD2 3.37Å; D265-L313 HydrophobicContact CB-CD2 4Å; D265-L313 WeakPolarHBondContact OD1-CB 3.43Å; L313-C315 PolarHBondContact O-N 3.31Å; L313-N318 HydrophobicContact CB-CB 4.17Å; L313-N318 HydrophobicContact CD1-CB 3.77Å; L313-N318 WeakPolarHBondContact CD1-O 3.47Å
314	T	98.8	Very high	98.2	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.012	8%	0.082	C	C	.	.	S	Bend	trans	-60.7	-48.9	-173.9	-51.2	0	0	0	0	112.7	V107 A108 P175 P176 M239 E264 D265	V107-T314 HydrophobicContact CB-CG2 4.11Å; V107-T314 HydrophobicContact CG1-CG2 4.29Å; A108-T314 PolarHBondContact N-O 2.99Å; P175-T314 WeakPolarHBondContact CD-OG1 3.3Å; P176-T314 VanDerWaalsContact CD-CG2 3.41Å; P176-T314 HydrophobicContact CG-CG2 3.38Å; M239-T314 HydrophobicContact CE-CG2 4.1Å; M239-T314 HydrophobicContact SD-CG2 4.21Å; E264-T314 PolarHBondContact O-OG1 2.85Å; D265-T314 VanDerWaalsContact OD1-CB 3.24Å; D265-T314 WeakPolarHBondContact OD1-CB 3.3Å; D265-T314 PolarHBondContact OD1-N 3.44Å; D265-T314 PolarHBondContact OD1-OG1 3.16Å
315	C	98.2	Very high	98.2	Very high	30 Å²	30	17.6 Å²	17.6	20%	0.203	8%	0.081	C	C	.	.	S	Bend	trans	-93.6	129.7	-179.7	-175.6	0	0	0	0	110.4	L313 S317 N318	L313-C315 PolarHBondContact O-N 3.31Å; C315-S317 PolarHBondContact O-N 2.86Å; C315-S317 PolarHBondContact SG-OG 2.75Å; C315-N318 PolarHBondContact O-N 2.88Å
316	P	98.2	Very high	98.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-55.4	-26.1	176.8	-26.5	31.6	0	0	0	114.1	V104 L106 Y114 L121 I125 H129 N318 L319	V104-P316 HydrophobicContact CG1-CB 4.02Å; V104-P316 HydrophobicContact CG1-CG 3.81Å; L106-P316 HydrophobicContact CD1-CG 3.47Å; L106-P316 VanDerWaalsContact CD1-CG 3.47Å; L106-P316 WeakPolarHBondContact O-CD 3.26Å; Y114-P316 HydrophobicContact CE1-CB 4.5Å; Y114-P316 HydrophobicContact CE1-CG 4.28Å; L121-P316 HydrophobicContact CD2-CB 4.48Å; L121-P316 HydrophobicContact CD2-CG 3.7Å; I125-P316 HydrophobicContact CG1-CB 4.06Å; H129-P316 PolarHBondContact NE2-O 2.76Å; P316-N318 PolarHBondContact O-N 3.07Å; P316-L319 HydrophobicContact CB-CD1 4.34Å; P316-L319 WeakPolarHBondContact O-CG 3.46Å; P316-L319 PolarHBondContact O-N 3.37Å
317	S	95.8	Very high	98.1	Very high	16 Å²	16	12.1 Å²	12.1	11%	0.112	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-65.1	-17.8	176.3	72.3	0	0	0	0	113.9	H129 C315 R373	H129-S317 PolarHBondContact CE1-O 2.85Å; H129-S317 VanDerWaalsContact CE1-O 3.32Å; C315-S317 PolarHBondContact O-N 2.86Å; C315-S317 PolarHBondContact SG-OG 2.75Å; S317-R373 VanDerWaalsContact O-CD 3.28Å; S317-R373 WeakPolarHBondContact O-CD 3.35Å; S317-R373 PolarHBondContact O-NH1 3.44Å
318	N	97.8	Very high	98	Very high	11 Å²	11	9.8 Å²	9.8	6%	0.059	5%	0.049	C	C	.	.	G	3₁₀ helix	trans	-106.2	10.4	-178.5	-62.3	-41.4	0	0	0	113.2	R268 L313 C315 P316 G322	R268-N318 PolarHBondContact NH2-ND2 3.02Å; L313-N318 HydrophobicContact CB-CB 4.17Å; L313-N318 HydrophobicContact CD1-CB 3.77Å; L313-N318 WeakPolarHBondContact CD1-O 3.47Å; C315-N318 PolarHBondContact O-N 2.88Å; P316-N318 PolarHBondContact O-N 3.07Å; N318-G322 WeakPolarHBondContact O-CA 3.47Å; N318-G322 PolarHBondContact O-N 2.82Å
319	L	98.5	Very high	98	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.039	C	C	.	.			trans	-62.7	169.5	172.2	-66.8	173.2	0	0	0	112.7	Y114 I125 L309 I312 P316 T321 L374	Y114-L319 HydrophobicContact CD1-CD1 4.29Å; Y114-L319 HydrophobicContact CE1-CD1 3.66Å; Y114-L319 HydrophobicContact CE1-CD2 4Å; Y114-L319 HydrophobicContact CE1-CG 4.24Å; Y114-L319 HydrophobicContact CE2-CD2 4.17Å; I125-L319 HydrophobicContact CD1-CD1 3.47Å; I125-L319 VanDerWaalsContact CD1-CD1 3.47Å; I125-L319 HydrophobicContact CG1-CD1 3.74Å; L309-L319 HydrophobicContact CB-CD2 4.44Å; L309-L319 HydrophobicContact CD1-CD1 4.27Å; L309-L319 HydrophobicContact CD1-CD2 4.5Å; L309-L319 HydrophobicContact CD2-CD1 4.16Å; I312-L319 HydrophobicContact CD1-CD2 3.89Å; P316-L319 HydrophobicContact CB-CD1 4.34Å; P316-L319 WeakPolarHBondContact O-CG 3.46Å; P316-L319 PolarHBondContact O-N 3.37Å; L319-T321 PolarHBondContact O-N 3.38Å; L319-L374 HydrophobicContact CB-CD1 4.46Å; L319-L374 HydrophobicContact CB-CD2 4.22Å
320	G	98.4	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	82.6	-110.6	176.9	0	0	0	0	0	110.5	H139 L309 Y311 G322	H139-G320 VanDerWaalsContact NE2-CA 3.32Å; H139-G320 WeakPolarHBondContact NE2-CA 3.2Å; L309-G320 WeakPolarHBondContact O-CA 3.21Å; L309-G320 PolarHBondContact O-N 3.19Å; Y311-G320 WeakPolarHBondContact CB-O 3.39Å; Y311-G320 PolarHBondContact N-O 3.45Å; Y311-G320 PolarHBondContact O-N 3.4Å; G320-G322 VanDerWaalsContact C-N 3.33Å
321	T	98.5	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-23.5	176.4	60	0	0	0	0	112.5	H139 T165 L319 L323 R373 Q376 E378 L381	H139-T321 PolarHBondContact NE2-N 2.7Å; T165-T321 PolarHBondContact OG1-O 2.92Å; L319-T321 PolarHBondContact O-N 3.38Å; T321-L323 PolarHBondContact O-N 3.47Å; T321-L323 WeakPolarHBondContact OG1-CB 3.41Å; T321-L323 PolarHBondContact OG1-N 3.33Å; T321-R373 PolarHBondContact N-O 2.9Å; T321-R373 PolarHBondContact OG1-O 3.14Å; T321-Q376 WeakPolarHBondContact CG2-O 3.24Å; T321-E378 HydrophobicContact CG2-CG 3.77Å; T321-L381 HydrophobicContact CG2-CD1 3.78Å; T321-L381 VanDerWaalsContact OG1-CD1 3.27Å; T321-L381 WeakPolarHBondContact OG1-CD1 3.39Å
322	G	97.4	Very high	97.8	Very high	1 Å²	1	13 Å²	13	1%	0.01	7%	0.071	C	C	.	.			trans	57.1	8.5	-162.6	0	0	0	0	0	114.2	T165 N318 G320	T165-G322 WeakPolarHBondContact CA-O 3.4Å; N318-G322 WeakPolarHBondContact O-CA 3.47Å; N318-G322 PolarHBondContact O-N 2.82Å; G320-G322 VanDerWaalsContact C-N 3.33Å
323	L	98.2	Very high	97.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.094	C	C	.	.			trans	-82.6	134.7	-163	-174.9	147.6	0	0	0	111.3	V163 R164 F282 F285 T321 A325 N370 E378 L381 V382	V163-L323 HydrophobicContact CG1-CD1 3.84Å; V163-L323 HydrophobicContact CG1-CG 4.03Å; R164-L323 CarbonylContact O-C 3.55Å; R164-L323 VanDerWaalsContact O-CA 3.27Å; R164-L323 WeakPolarHBondContact O-CA 3.32Å; F282-L323 HydrophobicContact CE2-CD1 4.1Å; F285-L323 HydrophobicContact CE1-CD1 4.09Å; F285-L323 HydrophobicContact CZ-CD1 4.44Å; T321-L323 PolarHBondContact O-N 3.47Å; T321-L323 WeakPolarHBondContact OG1-CB 3.41Å; T321-L323 PolarHBondContact OG1-N 3.33Å; L323-A325 HydrophobicContact CD2-CB 3.76Å; L323-N370 PolarHBondContact O-ND2 3.46Å; L323-E378 HydrophobicContact CD1-CB 3.69Å; L323-E378 HydrophobicContact CD1-CG 3.71Å; L323-L381 HydrophobicContact CB-CD1 4.4Å; L323-L381 HydrophobicContact CD2-CB 4.05Å; L323-L381 HydrophobicContact CD2-CD1 4.42Å; L323-V382 HydrophobicContact CD1-CG2 4.23Å; L323-V382 HydrophobicContact CD2-CG2 4.19Å
324	R	97.6	Very high	97.7	Very high	15 Å²	15	19.1 Å²	19.1	6%	0.057	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	100.5	163.8	-165.6	174.3	96.9	118.8	-8.8	109.1	R164 R352 D367 S369 N370	R164-R324 HydrophobicContact CG-CB 3.79Å; R164-R324 PolarHBondContact N-O 3.4Å; R164-R324 PolarHBondContact O-N 3.19Å; R324-R352 VanDerWaalsContact NH1-CD 3.34Å; R324-D367 IonicContact CZ-OD1 2.76Å; R324-D367 IonicContact CZ-OD2 2.75Å; R324-D367 IonicContact NH1-OD1 3.76Å; R324-D367 IonicContact NH1-OD2 3.39Å; R324-D367 PolarHBondContact NH1-OD2 3.16Å; R324-D367 IonicContact NH2-OD1 2.76Å; R324-D367 IonicContact NH2-OD2 3.49Å; R324-D367 PolarHBondContact NH2-OD2 3.09Å; R324-S369 WeakPolarHBondContact CD-OG 3.43Å; R324-S369 WeakPolarHBondContact CG-OG 3.36Å; R324-S369 PolarHBondContact NH1-OG 3.09Å; R324-S369 VanDerWaalsContact NH1-OG 3.16Å; R324-N370 WeakPolarHBondContact CA-OD1 3.34Å
325	A	98.1	Very high	97.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134.9	167.3	0	0	0	0	0	108.9	R162 V163 L323 S369 N370 V382 V385	R162-A325 CarbonylContact O-C 3.58Å; R162-A325 WeakPolarHBondContact O-CA 3.17Å; V163-A325 HydrophobicContact CG1-CB 4.48Å; V163-A325 HydrophobicContact CG2-CB 3.95Å; L323-A325 HydrophobicContact CD2-CB 3.76Å; A325-S369 WeakPolarHBondContact O-CA 3.17Å; A325-S369 WeakPolarHBondContact O-CB 3.32Å; A325-N370 PolarHBondContact N-OD1 2.97Å; A325-N370 PolarHBondContact O-N 2.86Å; A325-N370 PolarHBondContact O-OD1 3.45Å; A325-N370 VanDerWaalsContact O-OD1 3.08Å; A325-V382 HydrophobicContact CB-CG2 3.89Å; A325-V385 HydrophobicContact CB-CG2 4.11Å; A325-V385 WeakPolarHBondContact O-CG2 3.22Å
326	G	97.3	Very high	97.3	Very high	5 Å²	5	27.2 Å²	27.2	5%	0.052	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	174.3	-178.4	0	0	0	0	0	114.1	R162 M278 I368	R162-G326 PolarHBondContact N-O 3.08Å; R162-G326 PolarHBondContact O-N 3.44Å; M278-G326 WeakPolarHBondContact CE-O 3.41Å; G326-I368 CarbonylContact C-O 3.51Å; G326-I368 WeakPolarHBondContact CA-O 3.41Å
327	V	97.5	Very high	97.3	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.012	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	151.5	-177.3	-65.5	0	0	0	0	110.8	F153 V158 S160 M278 V329 D367 I368 V389	F153-V327 HydrophobicContact CD2-CG1 3.88Å; F153-V327 HydrophobicContact CE2-CG1 3.51Å; F153-V327 HydrophobicContact CZ-CG1 4.37Å; V158-V327 HydrophobicContact CG1-CB 3.94Å; V158-V327 HydrophobicContact CG1-CG1 3.88Å; V158-V327 HydrophobicContact CG2-CB 4.46Å; V158-V327 HydrophobicContact CG2-CG2 4.49Å; S160-V327 VanDerWaalsContact O-CA 3.24Å; S160-V327 WeakPolarHBondContact O-CA 3.49Å; M278-V327 HydrophobicContact CE-CG1 3.94Å; V327-V329 HydrophobicContact CG2-CB 3.94Å; V327-V329 HydrophobicContact CG2-CG1 4.05Å; V327-D367 WeakPolarHBondContact O-CA 3.25Å; V327-I368 HydrophobicContact CG2-CB 4.32Å; V327-I368 PolarHBondContact N-O 3.34Å; V327-I368 PolarHBondContact O-N 3.05Å; V327-V389 HydrophobicContact CG2-CB 4.49Å; V327-V389 HydrophobicContact CG2-CG1 3.93Å; V327-V389 HydrophobicContact CG2-CG2 3.66Å
328	H	96.2	Very high	97.4	Very high	53 Å²	53	33.4 Å²	33.4	25%	0.245	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115.5	154.9	-73.8	165.2	0	0	0	108.4	V158 L159 S160 T354 V365 F366	V158-H328 CarbonylContact C-O 3.52Å; V158-H328 WeakPolarHBondContact CA-O 3.38Å; L159-H328 HydrophobicContact CB-CB 4.19Å; L159-H328 PolarHBondContact N-O 2.88Å; S160-H328 PolarHBondContact O-N 2.73Å; S160-H328 PolarHBondContact OG-ND1 2.67Å; H328-T354 PolarHBondContact CE1-O 3.33Å; H328-T354 VanDerWaalsContact CE1-O 3.28Å; H328-T354 PolarHBondContact NE2-O 3.39Å; H328-V365 HydrophobicContact CB-CG1 4.11Å; H328-F366 WeakPolarHBondContact CA-O 3.34Å
329	V	97.4	Very high	97.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.2	-175.7	62.3	0	0	0	0	111.2	Y157 V158 V327 L331 V365 F366 I368 I393	Y157-V329 WeakPolarHBondContact O-CA 3.44Å; V158-V329 HydrophobicContact CG2-CB 4.29Å; V158-V329 HydrophobicContact CG2-CG2 4.06Å; V327-V329 HydrophobicContact CG2-CB 3.94Å; V327-V329 HydrophobicContact CG2-CG1 4.05Å; V329-L331 HydrophobicContact CG1-CD1 3.76Å; V329-L331 HydrophobicContact CG1-CG 4.03Å; V329-L331 HydrophobicContact CG2-CD2 4.07Å; V329-L331 HydrophobicContact CG2-CG 4.04Å; V329-V365 WeakPolarHBondContact O-CA 3.49Å; V329-F366 PolarHBondContact N-O 2.62Å; V329-F366 PolarHBondContact O-N 2.85Å; V329-I368 HydrophobicContact CG1-CB 4.22Å; V329-I368 HydrophobicContact CG1-CG1 3.55Å; V329-I393 HydrophobicContact CG2-CG1 4.31Å
330	K	97.5	Very high	97.3	Very high	80 Å²	80	36.4 Å²	36.4	35%	0.348	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	115.3	173.6	-71.6	-178.6	-60.8	-179.6	0	109.9	R156 Y157 L159 P332 V365	R156-K330 WeakPolarHBondContact O-CE 3.5Å; R156-K330 PolarHBondContact O-NZ 2.72Å; Y157-K330 PolarHBondContact O-N 3.41Å; L159-K330 HydrophobicContact CD1-CG 4.27Å; L159-K330 HydrophobicContact CD2-CD 4.13Å; L159-K330 HydrophobicContact CD2-CG 4.39Å; L159-K330 HydrophobicContact CG-CG 4.4Å; K330-P332 VanDerWaalsContact C-CD 3.5Å; K330-V365 HydrophobicContact CG-CG2 3.89Å
331	L	97.3	Very high	97.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.			trans	-134	58.2	178.2	-61.1	172.7	0	0	0	110.6	V329 R333 L334 G335 F340 G364 F366 L392 E396	V329-L331 HydrophobicContact CG1-CD1 3.76Å; V329-L331 HydrophobicContact CG1-CG 4.03Å; V329-L331 HydrophobicContact CG2-CD2 4.07Å; V329-L331 HydrophobicContact CG2-CG 4.04Å; L331-R333 VanDerWaalsContact C-N 3.27Å; L331-R333 PolarHBondContact O-N 2.92Å; L331-L334 HydrophobicContact CB-CB 4.3Å; L331-L334 HydrophobicContact CD1-CD2 4.36Å; L331-L334 HydrophobicContact CD2-CD2 4.28Å; L331-G335 WeakPolarHBondContact O-CA 3.26Å; L331-G335 PolarHBondContact O-N 3.22Å; L331-F340 HydrophobicContact CD1-CE2 4.2Å; L331-F340 HydrophobicContact CD1-CZ 4.03Å; L331-G364 PolarHBondContact N-O 2.9Å; L331-F366 HydrophobicContact CB-CD2 3.95Å; L331-F366 HydrophobicContact CB-CE2 4.07Å; L331-F366 HydrophobicContact CD1-CD2 4.42Å; L331-L392 HydrophobicContact CD1-CB 4.26Å; L331-L392 HydrophobicContact CD1-CD1 4.21Å; L331-L392 HydrophobicContact CD2-CB 4.3Å; L331-E396 WeakPolarHBondContact CA-OE2 3.5Å; L331-E396 HydrophobicContact CD2-CB 3.86Å; L331-E396 HydrophobicContact CD2-CG 4.27Å
332	P	96.7	Very high	97.1	Very high	58 Å²	58	44.6 Å²	44.6	38%	0.377	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-27.6	-172.9	25.9	-35.2	0	0	0	114.1	K330 E396	K330-P332 VanDerWaalsContact C-CD 3.5Å; P332-E396 WeakPolarHBondContact CD-OE1 3.15Å; P332-E396 VanDerWaalsContact CG-OE1 3.31Å; P332-E396 WeakPolarHBondContact CG-OE1 3.29Å
333	R	97.7	Very high	97.1	Very high	128 Å²	128	44.6 Å²	44.6	48%	0.483	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-54.1	176.7	-60	-176	176.8	-121.5	-3.3	111.3	L331 G335 K336 D337 E396 L399	L331-R333 VanDerWaalsContact C-N 3.27Å; L331-R333 PolarHBondContact O-N 2.92Å; R333-G335 PolarHBondContact O-N 2.98Å; R333-K336 PolarHBondContact O-N 3.23Å; R333-D337 PolarHBondContact O-N 2.78Å; R333-E396 VanDerWaalsContact CB-OE1 3.28Å; R333-E396 WeakPolarHBondContact CB-OE1 3.27Å; R333-E396 WeakPolarHBondContact CG-OE1 3.39Å; R333-E396 PolarHBondContact N-OE1 3.33Å; R333-E396 PolarHBondContact N-OE2 2.8Å; R333-L399 HydrophobicContact CB-CB 3.81Å; R333-L399 HydrophobicContact CB-CD1 4.03Å; R333-L399 VanDerWaalsContact CD-C 3.43Å; R333-L399 WeakPolarHBondContact CD-O 3.44Å; R333-L399 PolarHBondContact NH1-O 3.4Å
334	L	97.8	Very high	97	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-60.2	-36.3	-179.2	-179.7	62.1	0	0	0	111.4	L331 K336 D337 F340 I343 L392 C395 E396 L399 I405	L331-L334 HydrophobicContact CB-CB 4.3Å; L331-L334 HydrophobicContact CD1-CD2 4.36Å; L331-L334 HydrophobicContact CD2-CD2 4.28Å; L334-K336 PolarHBondContact O-N 3.35Å; L334-K336 VanDerWaalsContact O-N 3.08Å; L334-D337 HydrophobicContact CD1-CB 4.34Å; L334-D337 WeakPolarHBondContact O-CB 3.42Å; L334-D337 PolarHBondContact O-N 2.78Å; L334-F340 HydrophobicContact CD1-CD2 4.27Å; L334-F340 HydrophobicContact CD2-CD2 4.12Å; L334-F340 HydrophobicContact CD2-CE2 4.16Å; L334-F340 HydrophobicContact CG-CD2 3.77Å; L334-F340 HydrophobicContact CG-CE2 4.15Å; L334-F340 HydrophobicContact CG-CG 4.33Å; L334-F340 WeakPolarHBondContact O-CB 3.5Å; L334-I343 HydrophobicContact CD1-CD1 4.05Å; L334-L392 HydrophobicContact CD2-CB 4.07Å; L334-L392 HydrophobicContact CD2-CD2 3.69Å; L334-L392 HydrophobicContact CD2-CG 4.46Å; L334-C395 HydrophobicContact CD1-CB 4.17Å; L334-C395 HydrophobicContact CD2-CB 3.86Å; L334-E396 VanDerWaalsContact CB-OE2 3.26Å; L334-E396 WeakPolarHBondContact CB-OE2 3.38Å; L334-E396 PolarHBondContact N-OE2 3.3Å; L334-L399 HydrophobicContact CB-CD1 4Å; L334-L399 HydrophobicContact CD1-CD1 4.23Å; L334-I405 HydrophobicContact CD1-CD1 3.51Å
335	G	94.8	Very high	96.8	Very high	23 Å²	23	48 Å²	48	24%	0.237	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-59.4	-19.2	176.3	0	0	0	0	0	115	L331 R333	L331-G335 WeakPolarHBondContact O-CA 3.26Å; L331-G335 PolarHBondContact O-N 3.22Å; R333-G335 PolarHBondContact O-N 2.98Å
336	K	95.6	Very high	96.7	Very high	179 Å²	179	48.6 Å²	48.6	78%	0.778	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-102.5	-10.4	176.8	-60.5	177.4	-175.8	177.5	0	113	R333 L334	R333-K336 PolarHBondContact O-N 3.23Å; L334-K336 PolarHBondContact O-N 3.35Å; L334-K336 VanDerWaalsContact O-N 3.08Å
337	D	97.6	Very high	96.7	Very high	24 Å²	24	49 Å²	49	13%	0.128	25%	0.248	C	C	.	.	S	Bend	trans	-72.8	131.4	-178.9	-168.8	-63.8	0	0	0	109.9	R333 L334 R339 F340	R333-D337 PolarHBondContact O-N 2.78Å; L334-D337 HydrophobicContact CD1-CB 4.34Å; L334-D337 WeakPolarHBondContact O-CB 3.42Å; L334-D337 PolarHBondContact O-N 2.78Å; D337-R339 PolarHBondContact O-N 3.08Å; D337-R339 VanDerWaalsContact O-N 3.07Å; D337-R339 WeakPolarHBondContact OD1-CB 3.42Å; D337-R339 WeakPolarHBondContact OD1-CG 3.45Å; D337-R339 IonicContact OD1-CZ 2.83Å; D337-R339 PolarHBondContact OD1-N 3.21Å; D337-R339 IonicContact OD1-NE 2.95Å; D337-R339 PolarHBondContact OD1-NE 3.38Å; D337-R339 IonicContact OD1-NH2 3.98Å; D337-R339 IonicContact OD2-CZ 2.67Å; D337-R339 IonicContact OD2-NE 3.25Å; D337-R339 PolarHBondContact OD2-NE 3.43Å; D337-R339 IonicContact OD2-NH2 3.79Å; D337-R339 PolarHBondContact OD2-NH2 2.96Å; D337-F340 VanDerWaalsContact O-CB 3.29Å; D337-F340 WeakPolarHBondContact O-CB 3.44Å; D337-F340 PolarHBondContact O-N 3.36Å
338	P	97.3	Very high	96.5	Very high	123 Å²	123	50.7 Å²	50.7	80%	0.799	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.1	-178.8	25.3	-35.6	0	0	0	113.4	F340	P338-F340 VanDerWaalsContact C-N 3.32Å
339	R	97.8	Very high	96.5	Very high	70 Å²	70	48.3 Å²	48.3	26%	0.264	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.5	178.2	-60.5	168.7	-73.6	-164.2	-6.7	113.1	D337 S341 K342 I343 D404 I405 V407	D337-R339 PolarHBondContact O-N 3.08Å; D337-R339 VanDerWaalsContact O-N 3.07Å; D337-R339 WeakPolarHBondContact OD1-CB 3.42Å; D337-R339 WeakPolarHBondContact OD1-CG 3.45Å; D337-R339 IonicContact OD1-CZ 2.83Å; D337-R339 PolarHBondContact OD1-N 3.21Å; D337-R339 IonicContact OD1-NE 2.95Å; D337-R339 PolarHBondContact OD1-NE 3.38Å; D337-R339 IonicContact OD1-NH2 3.98Å; D337-R339 IonicContact OD2-CZ 2.67Å; D337-R339 IonicContact OD2-NE 3.25Å; D337-R339 PolarHBondContact OD2-NE 3.43Å; D337-R339 IonicContact OD2-NH2 3.79Å; D337-R339 PolarHBondContact OD2-NH2 2.96Å; R339-S341 PolarHBondContact O-N 3.35Å; R339-K342 PolarHBondContact O-N 2.84Å; R339-K342 VanDerWaalsContact O-N 3.09Å; R339-I343 HydrophobicContact CB-CD1 4.11Å; R339-I343 WeakPolarHBondContact O-CG1 3.3Å; R339-I343 PolarHBondContact O-N 3.35Å; R339-D404 IonicContact CZ-OD1 3.81Å; R339-D404 IonicContact NH1-OD1 2.7Å; R339-D404 PolarHBondContact NH1-OD1 3.3Å; R339-D404 IonicContact NH1-OD2 3.36Å; R339-D404 IonicContact NH2-OD1 3.84Å; R339-D404 PolarHBondContact NH2-OD1 3.25Å; R339-I405 VanDerWaalsContact CZ-CG1 3.44Å; R339-I405 PolarHBondContact NH1-O 2.87Å; R339-I405 VanDerWaalsContact NH2-CG1 3.33Å; R339-V407 HydrophobicContact CB-CG2 4.03Å; R339-V407 HydrophobicContact CG-CG2 4.2Å
340	F	97	Very high	96.2	Very high	4 Å²	4	49.6 Å²	49.6	2%	0.018	25%	0.249	C	C	.	.	H	α-helix	trans	-57.6	-46.5	-170.7	-176.7	-147.2	0	0	0	113.5	L331 L334 D337 P338 K342 I343 L344 K351 F366 I368 L392	L331-F340 HydrophobicContact CD1-CE2 4.2Å; L331-F340 HydrophobicContact CD1-CZ 4.03Å; L334-F340 HydrophobicContact CD1-CD2 4.27Å; L334-F340 HydrophobicContact CD2-CD2 4.12Å; L334-F340 HydrophobicContact CD2-CE2 4.16Å; L334-F340 HydrophobicContact CG-CD2 3.77Å; L334-F340 HydrophobicContact CG-CE2 4.15Å; L334-F340 HydrophobicContact CG-CG 4.33Å; L334-F340 WeakPolarHBondContact O-CB 3.5Å; D337-F340 VanDerWaalsContact O-CB 3.29Å; D337-F340 WeakPolarHBondContact O-CB 3.44Å; D337-F340 PolarHBondContact O-N 3.36Å; P338-F340 VanDerWaalsContact C-N 3.32Å; F340-K342 VanDerWaalsContact C-N 3.31Å; F340-K342 PolarHBondContact O-N 2.82Å; F340-I343 PolarHBondContact O-N 3.27Å; F340-L344 HydrophobicContact CD1-CD1 4.46Å; F340-L344 HydrophobicContact CD2-CD1 4.09Å; F340-L344 HydrophobicContact CD2-CG 3.98Å; F340-L344 HydrophobicContact CE1-CD1 4.14Å; F340-L344 HydrophobicContact CE2-CD1 3.73Å; F340-L344 HydrophobicContact CE2-CD2 3.82Å; F340-L344 HydrophobicContact CE2-CG 3.7Å; F340-L344 HydrophobicContact CG-CD1 4.45Å; F340-L344 HydrophobicContact CZ-CD1 3.76Å; F340-L344 HydrophobicContact CZ-CD2 4.32Å; F340-L344 HydrophobicContact CZ-CG 4.24Å; F340-L344 WeakPolarHBondContact O-CG 3.28Å; F340-L344 PolarHBondContact O-N 3.04Å; F340-K351 HydrophobicContact CD1-CD 4.38Å; F340-K351 HydrophobicContact CE1-CD 3.84Å; F340-K351 HydrophobicContact CZ-CD 4.48Å; F340-F366 HydrophobicContact CE1-CD1 4.37Å; F340-F366 HydrophobicContact CE1-CE1 4.19Å; F340-F366 HydrophobicContact CE1-CE2 4.45Å; F340-F366 HydrophobicContact CE1-CZ 4.23Å; F340-I368 HydrophobicContact CZ-CD1 4.24Å; F340-L392 HydrophobicContact CE2-CD2 4.12Å
341	S	94.9	Very high	95.9	Very high	65 Å²	65	50.5 Å²	50.5	46%	0.455	25%	0.253	S	S	.	.	H	α-helix	trans	-58.7	-44	177.4	-58.4	0	0	0	0	111.5	R339 I343 L344 D345	R339-S341 PolarHBondContact O-N 3.35Å; S341-I343 PolarHBondContact O-N 3.44Å; S341-L344 PolarHBondContact O-N 3.49Å; S341-D345 PolarHBondContact O-N 3.16Å
342	K	96.6	Very high	95.3	Very high	107 Å²	107	52.7 Å²	52.7	47%	0.465	26%	0.262	S	S	.	.	H	α-helix	trans	-69	-33.9	-179.8	-171.5	55.2	173.7	159.2	0	112.7	R339 F340 N346 V407	R339-K342 PolarHBondContact O-N 2.84Å; R339-K342 VanDerWaalsContact O-N 3.09Å; F340-K342 VanDerWaalsContact C-N 3.31Å; F340-K342 PolarHBondContact O-N 2.82Å; K342-N346 WeakPolarHBondContact CE-OD1 3.18Å; K342-N346 PolarHBondContact NZ-OD1 3.34Å; K342-N346 WeakPolarHBondContact O-CB 3.23Å; K342-N346 VanDerWaalsContact O-CG 3.31Å; K342-N346 PolarHBondContact O-N 3.45Å; K342-N346 VanDerWaalsContact O-N 3.07Å; K342-N346 PolarHBondContact O-OD1 2.74Å; K342-V407 HydrophobicContact CG-CG1 3.86Å
343	I	98.3	Very high	94.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-48.9	172.6	-68.8	165.5	0	0	0	110	L334 R339 F340 S341 D345 N346 L347 Y391 L392 I405 V407 P408	L334-I343 HydrophobicContact CD1-CD1 4.05Å; R339-I343 HydrophobicContact CB-CD1 4.11Å; R339-I343 WeakPolarHBondContact O-CG1 3.3Å; R339-I343 PolarHBondContact O-N 3.35Å; F340-I343 PolarHBondContact O-N 3.27Å; S341-I343 PolarHBondContact O-N 3.44Å; I343-D345 PolarHBondContact O-N 3.49Å; I343-N346 PolarHBondContact O-N 2.91Å; I343-L347 HydrophobicContact CG2-CD1 3.68Å; I343-L347 HydrophobicContact CG2-CG 4.4Å; I343-L347 WeakPolarHBondContact O-CB 3.42Å; I343-L347 VanDerWaalsContact O-CG 3.27Å; I343-L347 WeakPolarHBondContact O-CG 3.27Å; I343-L347 PolarHBondContact O-N 2.87Å; I343-Y391 HydrophobicContact CG2-CD1 4.19Å; I343-Y391 HydrophobicContact CG2-CE1 4.04Å; I343-L392 HydrophobicContact CG2-CD2 3.7Å; I343-I405 HydrophobicContact CD1-CD1 3.9Å; I343-V407 HydrophobicContact CG1-CG1 4.46Å; I343-V407 HydrophobicContact CG1-CG2 4.22Å; I343-P408 HydrophobicContact CG2-CG 4.33Å
344	L	96.4	Very high	93.3	Very high	5 Å²	5	46 Å²	46	3%	0.026	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-46.4	177.7	-68.8	173.6	0	0	0	111.9	F340 S341 N346 L347 R348 L349 K351 I368 L392	F340-L344 HydrophobicContact CD1-CD1 4.46Å; F340-L344 HydrophobicContact CD2-CD1 4.09Å; F340-L344 HydrophobicContact CD2-CG 3.98Å; F340-L344 HydrophobicContact CE1-CD1 4.14Å; F340-L344 HydrophobicContact CE2-CD1 3.73Å; F340-L344 HydrophobicContact CE2-CD2 3.82Å; F340-L344 HydrophobicContact CE2-CG 3.7Å; F340-L344 HydrophobicContact CG-CD1 4.45Å; F340-L344 HydrophobicContact CZ-CD1 3.76Å; F340-L344 HydrophobicContact CZ-CD2 4.32Å; F340-L344 HydrophobicContact CZ-CG 4.24Å; F340-L344 WeakPolarHBondContact O-CG 3.28Å; F340-L344 PolarHBondContact O-N 3.04Å; S341-L344 PolarHBondContact O-N 3.49Å; L344-N346 VanDerWaalsContact C-N 3.34Å; L344-N346 PolarHBondContact O-N 3.33Å; L344-L347 CarbonylContact O-C 3.53Å; L344-L347 PolarHBondContact O-N 2.91Å; L344-R348 PolarHBondContact O-N 3.26Å; L344-L349 HydrophobicContact CD2-CB 3.82Å; L344-L349 HydrophobicContact CD2-CD1 4.38Å; L344-L349 PolarHBondContact O-N 3.17Å; L344-K351 HydrophobicContact CD1-CB 3.84Å; L344-K351 HydrophobicContact CD1-CD 3.81Å; L344-K351 HydrophobicContact CD1-CG 3.77Å; L344-I368 HydrophobicContact CD2-CD1 4.08Å; L344-I368 HydrophobicContact CD2-CG2 4.47Å; L344-L392 HydrophobicContact CD2-CD1 3.97Å; L344-L392 HydrophobicContact CD2-CD2 4.34Å
345	D	93.6	Very high	91.9	Very high	83 Å²	83	49.1 Å²	49.1	44%	0.444	27%	0.267	S	S	.	.	H	α-helix	trans	-58	-46.5	178.7	-68.7	-21.6	0	0	0	111.8	S341 I343 L347 R348	S341-D345 PolarHBondContact O-N 3.16Å; I343-D345 PolarHBondContact O-N 3.49Å; D345-L347 VanDerWaalsContact C-N 3.34Å; D345-R348 PolarHBondContact O-N 3.19Å
346	N	96.1	Very high	90.5	Very high	11 Å²	11	48.8 Å²	48.8	6%	0.059	26%	0.263	C	S	.	.	H	α-helix	trans	-69.8	-32.4	-178.8	-74.7	10.3	0	0	0	112.1	K342 I343 L344 R348 V407 P408 P410 L411	K342-N346 WeakPolarHBondContact CE-OD1 3.18Å; K342-N346 PolarHBondContact NZ-OD1 3.34Å; K342-N346 WeakPolarHBondContact O-CB 3.23Å; K342-N346 VanDerWaalsContact O-CG 3.31Å; K342-N346 PolarHBondContact O-N 3.45Å; K342-N346 VanDerWaalsContact O-N 3.07Å; K342-N346 PolarHBondContact O-OD1 2.74Å; I343-N346 PolarHBondContact O-N 2.91Å; L344-N346 VanDerWaalsContact C-N 3.34Å; L344-N346 PolarHBondContact O-N 3.33Å; N346-R348 VanDerWaalsContact C-N 3.29Å; N346-V407 WeakPolarHBondContact ND2-CG1 3.41Å; N346-P408 HydrophobicContact CB-CG 4.35Å; N346-P408 PolarHBondContact ND2-O 3Å; N346-P410 HydrophobicContact CB-CB 4.46Å; N346-L411 WeakPolarHBondContact O-CG 3.26Å; N346-L411 PolarHBondContact O-N 3.08Å
347	L	96.4	Very high	88.9	Confident	15 Å²	15	42.3 Å²	42.3	8%	0.079	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-0.9	174.5	-66.4	174.8	0	0	0	113.8	I343 L344 D345 L349 Y391 L392 P408	I343-L347 HydrophobicContact CG2-CD1 3.68Å; I343-L347 HydrophobicContact CG2-CG 4.4Å; I343-L347 WeakPolarHBondContact O-CB 3.42Å; I343-L347 VanDerWaalsContact O-CG 3.27Å; I343-L347 WeakPolarHBondContact O-CG 3.27Å; I343-L347 PolarHBondContact O-N 2.87Å; L344-L347 CarbonylContact O-C 3.53Å; L344-L347 PolarHBondContact O-N 2.91Å; D345-L347 VanDerWaalsContact C-N 3.34Å; L347-L349 HydrophobicContact CB-CD1 4.1Å; L347-L349 HydrophobicContact CB-CG 4.03Å; L347-L349 HydrophobicContact CD1-CD1 4.35Å; L347-L349 PolarHBondContact O-N 2.88Å; L347-Y391 HydrophobicContact CD1-CD1 3.83Å; L347-Y391 HydrophobicContact CD1-CG 4.36Å; L347-L392 HydrophobicContact CD1-CD2 4.18Å; L347-L392 HydrophobicContact CD1-CG 4.48Å; L347-P408 HydrophobicContact CD1-CG 4.33Å; L347-P408 HydrophobicContact CD2-CB 4.19Å; L347-P408 HydrophobicContact CD2-CG 3.77Å; L347-P408 HydrophobicContact CG-CG 3.79Å
348	R	94.1	Very high	87	Confident	37 Å²	37	45.4 Å²	45.4	14%	0.14	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	38.4	-175.9	-53.5	-58.4	-55.3	160.8	0.2	112.9	L344 D345 N346 L371 D372 T384 L411	L344-R348 PolarHBondContact O-N 3.26Å; D345-R348 PolarHBondContact O-N 3.19Å; N346-R348 VanDerWaalsContact C-N 3.29Å; R348-L371 VanDerWaalsContact O-CB 3.27Å; R348-L371 WeakPolarHBondContact O-CB 3.39Å; R348-L371 PolarHBondContact O-N 3.01Å; R348-D372 IonicContact CZ-OD1 3.97Å; R348-D372 IonicContact CZ-OD2 3.18Å; R348-D372 IonicContact NE-OD1 2.72Å; R348-D372 IonicContact NE-OD2 3.8Å; R348-D372 PolarHBondContact NE-OD2 3.45Å; R348-D372 IonicContact NH2-OD1 2.72Å; R348-D372 PolarHBondContact NH2-OD1 3.48Å; R348-D372 IonicContact NH2-OD2 3.63Å; R348-D372 PolarHBondContact NH2-OD2 2.8Å; R348-T384 HydrophobicContact CB-CG2 4.48Å; R348-L411 HydrophobicContact CB-CD1 4.5Å; R348-L411 HydrophobicContact CG-CB 4.01Å; R348-L411 HydrophobicContact CG-CD1 4.16Å
349	L	95.3	Very high	85.3	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.016	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	154.9	175	-61	179	0	0	0	110.6	L344 L347 I368 S369 V385 L392	L344-L349 HydrophobicContact CD2-CB 3.82Å; L344-L349 HydrophobicContact CD2-CD1 4.38Å; L344-L349 PolarHBondContact O-N 3.17Å; L347-L349 HydrophobicContact CB-CD1 4.1Å; L347-L349 HydrophobicContact CB-CG 4.03Å; L347-L349 HydrophobicContact CD1-CD1 4.35Å; L347-L349 PolarHBondContact O-N 2.88Å; L349-I368 HydrophobicContact CB-CG2 4.16Å; L349-I368 HydrophobicContact CD1-CG2 3.8Å; L349-I368 HydrophobicContact CG-CG2 4.39Å; L349-S369 CarbonylContact C-O 3.55Å; L349-S369 WeakPolarHBondContact CA-O 3.37Å; L349-V385 HydrophobicContact CD2-CG2 4.18Å; L349-L392 HydrophobicContact CD1-CD1 4.04Å
350	Q	91.5	Very high	84	Confident	26 Å²	26	42.6 Å²	42.6	12%	0.121	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	148.7	171.4	63.6	175.6	22.6	0	0	109.7	I368 S369 L371	Q350-I368 WeakPolarHBondContact O-CA 3.25Å; Q350-S369 VanDerWaalsContact CG-OG 3.3Å; Q350-S369 WeakPolarHBondContact CG-OG 3.44Å; Q350-S369 PolarHBondContact N-O 3.48Å; Q350-S369 PolarHBondContact NE2-OG 3.15Å; Q350-S369 PolarHBondContact O-N 2.79Å; Q350-S369 VanDerWaalsContact O-N 3.08Å; Q350-L371 HydrophobicContact CB-CB 4.45Å; Q350-L371 HydrophobicContact CB-CD1 4.09Å
351	K	90.3	Very high	82.9	Confident	99 Å²	99	44.5 Å²	44.5	43%	0.43	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	144.3	173.1	63.4	172.5	-180	142.5	0	111.6	F340 L344 F366 D367 I368	F340-K351 HydrophobicContact CD1-CD 4.38Å; F340-K351 HydrophobicContact CE1-CD 3.84Å; F340-K351 HydrophobicContact CZ-CD 4.48Å; L344-K351 HydrophobicContact CD1-CB 3.84Å; L344-K351 HydrophobicContact CD1-CD 3.81Å; L344-K351 HydrophobicContact CD1-CG 3.77Å; K351-F366 HydrophobicContact CD-CD1 4.46Å; K351-D367 CarbonylContact C-O 3.59Å; K351-D367 WeakPolarHBondContact CA-O 3.42Å; K351-I368 HydrophobicContact CB-CD1 3.59Å
352	R	86.1	Confident	82.2	Confident	46 Å²	46	46.3 Å²	46.3	17%	0.174	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	168.9	168.1	-62.9	-177.9	179	-168.6	-10.6	109.9	R324 D367	R324-R352 VanDerWaalsContact NH1-CD 3.34Å; R352-D367 HydrophobicContact CB-CB 4.12Å; R352-D367 PolarHBondContact N-O 3.2Å; R352-D367 PolarHBondContact O-N 2.96Å
353	G	77.8	Confident	81.5	Confident	5 Å²	5	44.8 Å²	44.8	5%	0.052	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-68.6	171.2	170.3	0	0	0	0	0	112.8	G355 G356 T359 A360	G353-G355 VanDerWaalsContact C-N 3.26Å; G353-G355 PolarHBondContact O-N 2.67Å; G353-G356 PolarHBondContact N-O 3.49Å; G353-G356 PolarHBondContact O-N 2.9Å; G353-G356 VanDerWaalsContact O-N 3.09Å; G353-T359 VanDerWaalsContact C-OG1 3.29Å; G353-T359 WeakPolarHBondContact CA-O 3.3Å; G353-T359 PolarHBondContact N-O 3.14Å; G353-A360 VanDerWaalsContact CA-C 3.43Å; G353-A360 WeakPolarHBondContact CA-O 3.26Å
354	T	74.6	Confident	81	Confident	41 Å²	41	45.7 Å²	45.7	25%	0.252	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-26.3	-169.6	-43.7	0	0	0	0	113.1	H328 A360 V362 V365	H328-T354 PolarHBondContact CE1-O 3.33Å; H328-T354 VanDerWaalsContact CE1-O 3.28Å; H328-T354 PolarHBondContact NE2-O 3.39Å; T354-A360 PolarHBondContact N-O 2.95Å; T354-V362 PolarHBondContact OG1-N 3.31Å; T354-V362 VanDerWaalsContact OG1-N 3.07Å; T354-V365 HydrophobicContact CG2-CB 4.33Å; T354-V365 HydrophobicContact CG2-CG1 3.96Å; T354-V365 PolarHBondContact OG1-O 2.57Å; T354-V365 VanDerWaalsContact OG1-O 3.06Å
355	G	67.9	Low	80.8	Confident	65 Å²	65	46.4 Å²	46.4	67%	0.67	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	7.4	175.8	0	0	0	0	0	114.3	G353 T359	G353-G355 VanDerWaalsContact C-N 3.26Å; G353-G355 PolarHBondContact O-N 2.67Å; G355-T359 VanDerWaalsContact C-OG1 3.3Å; G355-T359 VanDerWaalsContact CA-OG1 3.31Å; G355-T359 WeakPolarHBondContact CA-OG1 3.41Å; G355-T359 PolarHBondContact N-OG1 3.08Å
356	G	65.1	Low	80.8	Confident	16 Å²	16	43.3 Å²	43.3	17%	0.165	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	110.9	-158.2	-179.4	0	0	0	0	0	114.4	G353 D358 T359	G353-G356 PolarHBondContact N-O 3.49Å; G353-G356 PolarHBondContact O-N 2.9Å; G353-G356 VanDerWaalsContact O-N 3.09Å; G356-D358 VanDerWaalsContact C-N 3.3Å; G356-D358 PolarHBondContact O-N 2.81Å; G356-T359 PolarHBondContact N-OG1 3.24Å; G356-T359 VanDerWaalsContact N-OG1 3.1Å; G356-T359 PolarHBondContact O-N 2.92Å; G356-T359 PolarHBondContact O-OG1 3.5Å
357	V	61.8	Low	80.7	Confident	44 Å²	44	43.2 Å²	43.2	27%	0.267	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-28.1	-163.2	66.2	0	0	0	0	114.7	I101	I101-V357 HydrophobicContact CD1-CG2 4.16Å
358	D	58.1	Low	80.7	Confident	88 Å²	88	42.5 Å²	42.5	47%	0.471	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	13.2	-175.7	-57.2	-40.2	0	0	0	112.7	H98 G356	H98-D358 IonicContact CE1-OD1 3.16Å; H98-D358 PolarHBondContact CE1-OD1 3.25Å; H98-D358 IonicContact NE2-OD1 2.83Å; H98-D358 PolarHBondContact NE2-OD1 3.27Å; G356-D358 VanDerWaalsContact C-N 3.3Å; G356-D358 PolarHBondContact O-N 2.81Å
359	T	61.2	Low	80.8	Confident	57 Å²	57	40.8 Å²	40.8	35%	0.35	28%	0.277	S	S	.	.	S	Bend	trans	-115.7	155.6	-177.2	68.6	0	0	0	0	112	G353 G355 G356	G353-T359 VanDerWaalsContact C-OG1 3.29Å; G353-T359 WeakPolarHBondContact CA-O 3.3Å; G353-T359 PolarHBondContact N-O 3.14Å; G355-T359 VanDerWaalsContact C-OG1 3.3Å; G355-T359 VanDerWaalsContact CA-OG1 3.31Å; G355-T359 WeakPolarHBondContact CA-OG1 3.41Å; G355-T359 PolarHBondContact N-OG1 3.08Å; G356-T359 PolarHBondContact N-OG1 3.24Å; G356-T359 VanDerWaalsContact N-OG1 3.1Å; G356-T359 PolarHBondContact O-N 2.92Å; G356-T359 PolarHBondContact O-OG1 3.5Å
360	A	70.9	Confident	80.9	Confident	77 Å²	77	40.7 Å²	40.7	64%	0.636	28%	0.276	S	S	*	.			trans	-81.4	158.8	170.6	0	0	0	0	0	111.4	G353 T354	G353-A360 VanDerWaalsContact CA-C 3.43Å; G353-A360 WeakPolarHBondContact CA-O 3.26Å; T354-A360 PolarHBondContact N-O 2.95Å
361	A	74.6	Confident	80.8	Confident	44 Å²	44	41 Å²	41	36%	0.364	28%	0.278	S	S	.	.			trans	-72.7	130.9	169.8	0	0	0	0	0	109.8	V365 F366	A361-V365 WeakPolarHBondContact CB-O 3.28Å; A361-F366 HydrophobicContact CB-CD1 3.75Å; A361-F366 HydrophobicContact CB-CE1 3.62Å; A361-F366 HydrophobicContact CB-CZ 4.29Å
362	V	78.8	Confident	80.9	Confident	104 Å²	104	36.6 Å²	36.6	63%	0.63	26%	0.26	S	S	*	.	B	Isolated β-bridge	trans	-107.6	130.4	178.4	-177.4	0	0	0	0	109.2	T354 G364 V365	T354-V362 PolarHBondContact OG1-N 3.31Å; T354-V362 VanDerWaalsContact OG1-N 3.07Å; V362-G364 VanDerWaalsContact C-N 3.26Å; V362-G364 PolarHBondContact O-N 2.81Å; V362-G364 VanDerWaalsContact O-N 3.17Å; V362-V365 WeakPolarHBondContact O-CB 3.35Å; V362-V365 PolarHBondContact O-N 3Å
363	G	82.1	Confident	81.3	Confident	74 Å²	74	34.6 Å²	34.6	76%	0.763	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	24.6	172.8	0	0	0	0	0	115.6	V365	G363-V365 VanDerWaalsContact C-N 3.26Å; G363-V365 PolarHBondContact O-N 3.1Å
364	G	88.3	Confident	82.2	Confident	19 Å²	19	34.5 Å²	34.5	20%	0.196	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	16.2	-175.5	0	0	0	0	0	114	L331 V362 F366	L331-G364 PolarHBondContact N-O 2.9Å; V362-G364 VanDerWaalsContact C-N 3.26Å; V362-G364 PolarHBondContact O-N 2.81Å; V362-G364 VanDerWaalsContact O-N 3.17Å; G364-F366 WeakPolarHBondContact O-CD2 3.45Å; G364-F366 WeakPolarHBondContact O-CE2 3.33Å
365	V	92.8	Very high	83.2	Confident	20 Å²	20	33.3 Å²	33.3	12%	0.121	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	123.3	172.4	-177	0	0	0	0	109.5	L159 H328 V329 K330 T354 A361 V362 G363	L159-V365 HydrophobicContact CD1-CG1 3.98Å; L159-V365 HydrophobicContact CD1-CG2 4.04Å; H328-V365 HydrophobicContact CB-CG1 4.11Å; V329-V365 WeakPolarHBondContact O-CA 3.49Å; K330-V365 HydrophobicContact CG-CG2 3.89Å; T354-V365 HydrophobicContact CG2-CB 4.33Å; T354-V365 HydrophobicContact CG2-CG1 3.96Å; T354-V365 PolarHBondContact OG1-O 2.57Å; T354-V365 VanDerWaalsContact OG1-O 3.06Å; A361-V365 WeakPolarHBondContact CB-O 3.28Å; V362-V365 WeakPolarHBondContact O-CB 3.35Å; V362-V365 PolarHBondContact O-N 3Å; G363-V365 VanDerWaalsContact C-N 3.26Å; G363-V365 PolarHBondContact O-N 3.1Å
366	F	92.8	Very high	84.6	Confident	19 Å²	19	31.3 Å²	31.3	8%	0.083	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.4	179	-59.9	-88.8	0	0	0	110.9	H328 V329 L331 F340 K351 A361 G364 I368	H328-F366 WeakPolarHBondContact CA-O 3.34Å; V329-F366 PolarHBondContact N-O 2.62Å; V329-F366 PolarHBondContact O-N 2.85Å; L331-F366 HydrophobicContact CB-CD2 3.95Å; L331-F366 HydrophobicContact CB-CE2 4.07Å; L331-F366 HydrophobicContact CD1-CD2 4.42Å; F340-F366 HydrophobicContact CE1-CD1 4.37Å; F340-F366 HydrophobicContact CE1-CE1 4.19Å; F340-F366 HydrophobicContact CE1-CE2 4.45Å; F340-F366 HydrophobicContact CE1-CZ 4.23Å; K351-F366 HydrophobicContact CD-CD1 4.46Å; A361-F366 HydrophobicContact CB-CD1 3.75Å; A361-F366 HydrophobicContact CB-CE1 3.62Å; A361-F366 HydrophobicContact CB-CZ 4.29Å; G364-F366 WeakPolarHBondContact O-CD2 3.45Å; G364-F366 WeakPolarHBondContact O-CE2 3.33Å; F366-I368 HydrophobicContact CB-CD1 3.81Å; F366-I368 HydrophobicContact CB-CG1 4.01Å
367	D	93.6	Very high	86.1	Confident	9 Å²	9	30.9 Å²	30.9	5%	0.048	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	107.2	160.6	167	24.7	0	0	0	108.2	R324 V327 K351 R352	R324-D367 IonicContact CZ-OD1 2.76Å; R324-D367 IonicContact CZ-OD2 2.75Å; R324-D367 IonicContact NH1-OD1 3.76Å; R324-D367 IonicContact NH1-OD2 3.39Å; R324-D367 PolarHBondContact NH1-OD2 3.16Å; R324-D367 IonicContact NH2-OD1 2.76Å; R324-D367 IonicContact NH2-OD2 3.49Å; R324-D367 PolarHBondContact NH2-OD2 3.09Å; V327-D367 WeakPolarHBondContact O-CA 3.25Å; K351-D367 CarbonylContact C-O 3.59Å; K351-D367 WeakPolarHBondContact CA-O 3.42Å; R352-D367 HydrophobicContact CB-CB 4.12Å; R352-D367 PolarHBondContact N-O 3.2Å; R352-D367 PolarHBondContact O-N 2.96Å
368	I	96.7	Very high	87.9	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.5	178.6	-59.1	-58.2	0	0	0	109	G326 V327 V329 F340 L344 L349 Q350 K351 F366 V389 L392	G326-I368 CarbonylContact C-O 3.51Å; G326-I368 WeakPolarHBondContact CA-O 3.41Å; V327-I368 HydrophobicContact CG2-CB 4.32Å; V327-I368 PolarHBondContact N-O 3.34Å; V327-I368 PolarHBondContact O-N 3.05Å; V329-I368 HydrophobicContact CG1-CB 4.22Å; V329-I368 HydrophobicContact CG1-CG1 3.55Å; F340-I368 HydrophobicContact CZ-CD1 4.24Å; L344-I368 HydrophobicContact CD2-CD1 4.08Å; L344-I368 HydrophobicContact CD2-CG2 4.47Å; L349-I368 HydrophobicContact CB-CG2 4.16Å; L349-I368 HydrophobicContact CD1-CG2 3.8Å; L349-I368 HydrophobicContact CG-CG2 4.39Å; Q350-I368 WeakPolarHBondContact O-CA 3.25Å; K351-I368 HydrophobicContact CB-CD1 3.59Å; F366-I368 HydrophobicContact CB-CD1 3.81Å; F366-I368 HydrophobicContact CB-CG1 4.01Å; I368-V389 HydrophobicContact CG2-CG2 4.28Å; I368-L392 HydrophobicContact CG1-CD1 4.31Å; I368-L392 HydrophobicContact CG2-CD1 3.95Å
369	S	97.1	Very high	89.8	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	165.8	179.5	74	0	0	0	0	112.6	R324 A325 L349 Q350	R324-S369 WeakPolarHBondContact CD-OG 3.43Å; R324-S369 WeakPolarHBondContact CG-OG 3.36Å; R324-S369 PolarHBondContact NH1-OG 3.09Å; R324-S369 VanDerWaalsContact NH1-OG 3.16Å; A325-S369 WeakPolarHBondContact O-CA 3.17Å; A325-S369 WeakPolarHBondContact O-CB 3.32Å; L349-S369 CarbonylContact C-O 3.55Å; L349-S369 WeakPolarHBondContact CA-O 3.37Å; Q350-S369 VanDerWaalsContact CG-OG 3.3Å; Q350-S369 WeakPolarHBondContact CG-OG 3.44Å; Q350-S369 PolarHBondContact N-O 3.48Å; Q350-S369 PolarHBondContact NE2-OG 3.15Å; Q350-S369 PolarHBondContact O-N 2.79Å; Q350-S369 VanDerWaalsContact O-N 3.08Å
370	N	95.9	Very high	91.5	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	142.2	167.1	58.7	-64.8	0	0	0	111.2	L323 R324 A325 D372 V385	L323-N370 PolarHBondContact O-ND2 3.46Å; R324-N370 WeakPolarHBondContact CA-OD1 3.34Å; A325-N370 PolarHBondContact N-OD1 2.97Å; A325-N370 PolarHBondContact O-N 2.86Å; A325-N370 PolarHBondContact O-OD1 3.45Å; A325-N370 VanDerWaalsContact O-OD1 3.08Å; N370-D372 PolarHBondContact ND2-O 2.9Å; N370-V385 HydrophobicContact CB-CG2 3.69Å
371	L	90.7	Very high	92.8	Very high	32 Å²	32	22.9 Å²	22.9	17%	0.168	16%	0.155	C	C	.	.	S	Bend	trans	-85.3	-40.8	175.3	177.3	58.8	0	0	0	111.8	R348 Q350	R348-L371 VanDerWaalsContact O-CB 3.27Å; R348-L371 WeakPolarHBondContact O-CB 3.39Å; R348-L371 PolarHBondContact O-N 3.01Å; Q350-L371 HydrophobicContact CB-CB 4.45Å; Q350-L371 HydrophobicContact CB-CD1 4.09Å
372	D	91.6	Very high	94	Very high	7 Å²	7	20.8 Å²	20.8	4%	0.037	14%	0.137	C	C	.	.			trans	-86.9	149.3	-174.4	-63.6	-37.9	0	0	0	112.1	R348 N370 L381 Q413	R348-D372 IonicContact CZ-OD1 3.97Å; R348-D372 IonicContact CZ-OD2 3.18Å; R348-D372 IonicContact NE-OD1 2.72Å; R348-D372 IonicContact NE-OD2 3.8Å; R348-D372 PolarHBondContact NE-OD2 3.45Å; R348-D372 IonicContact NH2-OD1 2.72Å; R348-D372 PolarHBondContact NH2-OD1 3.48Å; R348-D372 IonicContact NH2-OD2 3.63Å; R348-D372 PolarHBondContact NH2-OD2 2.8Å; N370-D372 PolarHBondContact ND2-O 2.9Å; D372-L381 HydrophobicContact CB-CD2 4.14Å; D372-L381 WeakPolarHBondContact O-CD2 3.47Å; D372-Q413 PolarHBondContact OD1-NE2 3.37Å; D372-Q413 VanDerWaalsContact OD1-NE2 3.1Å; D372-Q413 PolarHBondContact OD2-NE2 2.89Å; D372-Q413 VanDerWaalsContact OD2-NE2 3.09Å
373	R	95.5	Very high	94.9	Very high	4 Å²	4	17.4 Å²	17.4	2%	0.015	11%	0.114	C	C	.	.			trans	-136.3	-22	178.6	-53.3	-168.7	-170.8	76.6	17.9	114.6	S317 T321	S317-R373 VanDerWaalsContact O-CD 3.28Å; S317-R373 WeakPolarHBondContact O-CD 3.35Å; S317-R373 PolarHBondContact O-NH1 3.44Å; T321-R373 PolarHBondContact N-O 2.9Å; T321-R373 PolarHBondContact OG1-O 3.14Å
374	L	96.4	Very high	95.6	Very high	3 Å²	3	15 Å²	15	2%	0.016	9%	0.085	C	C	.	.	S	Bend	trans	-117.6	146.3	-177.9	-173.7	63.4	0	0	0	110.1	I125 H129 Y132 H139 L319 Q376	I125-L374 HydrophobicContact CG2-CD2 3.59Å; H129-L374 HydrophobicContact CB-CB 4.27Å; Y132-L374 HydrophobicContact CD1-CD1 4.38Å; Y132-L374 HydrophobicContact CD1-CD2 3.23Å; Y132-L374 HydrophobicContact CD1-CG 3.48Å; Y132-L374 VanDerWaalsContact CD1-CG 3.48Å; Y132-L374 HydrophobicContact CD2-CG 4.21Å; Y132-L374 HydrophobicContact CE1-CD1 3.94Å; Y132-L374 HydrophobicContact CE1-CD2 3.44Å; Y132-L374 VanDerWaalsContact CE1-CD2 3.44Å; Y132-L374 HydrophobicContact CE1-CG 3.54Å; Y132-L374 HydrophobicContact CE2-CG 4.25Å; Y132-L374 HydrophobicContact CG-CD2 3.97Å; Y132-L374 HydrophobicContact CG-CG 3.82Å; H139-L374 HydrophobicContact CB-CD1 3.98Å; L319-L374 HydrophobicContact CB-CD1 4.46Å; L319-L374 HydrophobicContact CB-CD2 4.22Å; L374-Q376 VanDerWaalsContact C-N 3.31Å; L374-Q376 PolarHBondContact O-N 3.35Å
375	G	96.1	Very high	96.1	Very high	16 Å²	16	14 Å²	14	17%	0.165	8%	0.075	C	C	.	.	S	Bend	trans	80.6	-6.3	-176	0	0	0	0	0	116.9	Y132 H139	Y132-G375 VanDerWaalsContact CD2-CA 3.42Å; Y132-G375 VanDerWaalsContact CE2-CA 3.49Å; H139-G375 PolarHBondContact ND1-N 2.85Å
376	Q	95.9	Very high	96.4	Very high	24 Å²	24	13.1 Å²	13.1	11%	0.112	7%	0.07	C	C	.	.	S	Bend	trans	-129.1	145.4	170.7	-65.3	-176.6	38.9	0	0	109.9	H139 T321 L374 Q380 L381	H139-Q376 PolarHBondContact CE1-O 3.46Å; H139-Q376 VanDerWaalsContact CE1-O 3.3Å; T321-Q376 WeakPolarHBondContact CG2-O 3.24Å; L374-Q376 VanDerWaalsContact C-N 3.31Å; L374-Q376 PolarHBondContact O-N 3.35Å; Q376-Q380 HydrophobicContact CB-CB 4.19Å; Q376-L381 HydrophobicContact CB-CD2 3.89Å; Q376-L381 HydrophobicContact CB-CG 4.07Å
377	S	97.9	Very high	96.7	Very high	6 Å²	6	16.4 Å²	16.4	4%	0.042	9%	0.088	C	C	.	.			trans	-75.2	165.4	179.7	74.4	0	0	0	0	112.6	P140 V379 Q380 L381	P140-S377 WeakPolarHBondContact O-CA 3.26Å; S377-V379 VanDerWaalsContact C-N 3.31Å; S377-V379 PolarHBondContact O-N 3.27Å; S377-Q380 PolarHBondContact O-N 3.05Å; S377-Q380 VanDerWaalsContact O-N 3.08Å; S377-Q380 WeakPolarHBondContact OG-CG 3.25Å; S377-Q380 PolarHBondContact OG-N 2.85Å; S377-Q380 PolarHBondContact OG-OE1 3.2Å; S377-L381 WeakPolarHBondContact O-CG 3.38Å; S377-L381 PolarHBondContact O-N 3.41Å
378	E	98.6	Very high	96.9	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.087	C	C	.	.	H	α-helix	trans	-56.9	-44.5	179.1	-65.6	85.4	168.4	0	0	112	D142 L143 F282 T321 L323 Q380 L381 V382	D142-E378 PolarHBondContact N-OE2 3.12Å; L143-E378 HydrophobicContact CD2-CB 3.95Å; L143-E378 HydrophobicContact CD2-CG 3.67Å; F282-E378 HydrophobicContact CE2-CB 4.22Å; F282-E378 HydrophobicContact CZ-CB 3.99Å; T321-E378 HydrophobicContact CG2-CG 3.77Å; L323-E378 HydrophobicContact CD1-CB 3.69Å; L323-E378 HydrophobicContact CD1-CG 3.71Å; E378-Q380 PolarHBondContact O-N 2.81Å; E378-L381 PolarHBondContact O-N 3.01Å; E378-V382 WeakPolarHBondContact O-CG2 3.28Å; E378-V382 PolarHBondContact O-N 2.63Å
379	V	98.5	Very high	97	Very high	13 Å²	13	16 Å²	16	8%	0.079	9%	0.087	C	C	.	.	H	α-helix	trans	-57.8	-45.7	174	163.3	0	0	0	0	111.8	D142 N144 K147 I148 F282 S377 V382 Q383	D142-V379 HydrophobicContact CB-CB 4.45Å; D142-V379 HydrophobicContact CB-CG2 4.4Å; D142-V379 VanDerWaalsContact O-CG2 3.3Å; D142-V379 WeakPolarHBondContact O-CG2 3.46Å; D142-V379 PolarHBondContact O-N 2.97Å; N144-V379 VanDerWaalsContact O-CG2 3.26Å; N144-V379 WeakPolarHBondContact O-CG2 3.3Å; K147-V379 HydrophobicContact CB-CG1 3.73Å; K147-V379 HydrophobicContact CB-CG2 4.3Å; K147-V379 HydrophobicContact CD-CG1 4.31Å; I148-V379 HydrophobicContact CD1-CB 4.49Å; I148-V379 HydrophobicContact CD1-CG1 4.19Å; F282-V379 HydrophobicContact CE1-CG2 3.96Å; F282-V379 HydrophobicContact CZ-CG2 4.26Å; S377-V379 VanDerWaalsContact C-N 3.31Å; S377-V379 PolarHBondContact O-N 3.27Å; V379-V382 PolarHBondContact O-N 2.92Å; V379-Q383 WeakPolarHBondContact O-CB 3.41Å; V379-Q383 PolarHBondContact O-N 3.27Å
380	Q	97.7	Very high	97	Very high	84 Å²	84	18.8 Å²	18.8	39%	0.393	10%	0.101	S	C	.	.	H	α-helix	trans	-64.7	-41.2	-179.9	-69.1	175.3	-59.4	0	0	111.8	Q376 S377 E378 Q383 T384	Q376-Q380 HydrophobicContact CB-CB 4.19Å; S377-Q380 PolarHBondContact O-N 3.05Å; S377-Q380 VanDerWaalsContact O-N 3.08Å; S377-Q380 WeakPolarHBondContact OG-CG 3.25Å; S377-Q380 PolarHBondContact OG-N 2.85Å; S377-Q380 PolarHBondContact OG-OE1 3.2Å; E378-Q380 PolarHBondContact O-N 2.81Å; Q380-Q383 PolarHBondContact O-N 2.78Å; Q380-T384 WeakPolarHBondContact O-CB 3.33Å; Q380-T384 PolarHBondContact O-N 2.61Å; Q380-T384 PolarHBondContact O-OG1 3.13Å
381	L	97.8	Very high	97.2	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-67.3	-42.2	178.8	-68	176.8	0	0	0	111.8	T321 L323 D372 Q376 S377 E378 T384 V385	T321-L381 HydrophobicContact CG2-CD1 3.78Å; T321-L381 VanDerWaalsContact OG1-CD1 3.27Å; T321-L381 WeakPolarHBondContact OG1-CD1 3.39Å; L323-L381 HydrophobicContact CB-CD1 4.4Å; L323-L381 HydrophobicContact CD2-CB 4.05Å; L323-L381 HydrophobicContact CD2-CD1 4.42Å; D372-L381 HydrophobicContact CB-CD2 4.14Å; D372-L381 WeakPolarHBondContact O-CD2 3.47Å; Q376-L381 HydrophobicContact CB-CD2 3.89Å; Q376-L381 HydrophobicContact CB-CG 4.07Å; S377-L381 WeakPolarHBondContact O-CG 3.38Å; S377-L381 PolarHBondContact O-N 3.41Å; E378-L381 PolarHBondContact O-N 3.01Å; L381-T384 WeakPolarHBondContact O-CB 3.39Å; L381-T384 PolarHBondContact O-N 3.23Å; L381-V385 WeakPolarHBondContact O-CG2 3.37Å; L381-V385 PolarHBondContact O-N 3.22Å; L381-V385 VanDerWaalsContact O-N 3.1Å
382	V	98.6	Very high	97.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.3	-41.5	176.3	173.5	0	0	0	0	111	I148 M278 F282 L323 A325 E378 V379 T384 V385 I386	I148-V382 HydrophobicContact CD1-CB 3.88Å; I148-V382 HydrophobicContact CD1-CG1 3.69Å; I148-V382 HydrophobicContact CG1-CG1 4.3Å; M278-V382 HydrophobicContact CG-CG1 4.1Å; F282-V382 HydrophobicContact CB-CG1 4.39Å; F282-V382 HydrophobicContact CD1-CG1 4.39Å; F282-V382 HydrophobicContact CD2-CG2 3.64Å; F282-V382 HydrophobicContact CE1-CG2 4.49Å; F282-V382 HydrophobicContact CE2-CG2 3.61Å; F282-V382 HydrophobicContact CG-CG1 4.19Å; F282-V382 HydrophobicContact CG-CG2 4.1Å; F282-V382 HydrophobicContact CZ-CG2 4.04Å; L323-V382 HydrophobicContact CD1-CG2 4.23Å; L323-V382 HydrophobicContact CD2-CG2 4.19Å; A325-V382 HydrophobicContact CB-CG2 3.89Å; E378-V382 WeakPolarHBondContact O-CG2 3.28Å; E378-V382 PolarHBondContact O-N 2.63Å; V379-V382 PolarHBondContact O-N 2.92Å; V382-T384 VanDerWaalsContact C-N 3.33Å; V382-T384 PolarHBondContact O-N 3.06Å; V382-V385 PolarHBondContact O-N 2.94Å; V382-I386 HydrophobicContact CG1-CD1 3.91Å; V382-I386 HydrophobicContact CG1-CG1 4.48Å; V382-I386 WeakPolarHBondContact O-CG1 3.42Å; V382-I386 PolarHBondContact O-N 3.01Å
383	Q	98.4	Very high	97.9	Very high	32 Å²	32	20.3 Å²	20.3	15%	0.15	11%	0.105	C	C	.	.	H	α-helix	trans	-61.4	-42.4	174.7	-167.2	63.8	56.1	0	0	111.6	Q149 V379 Q380 V385 I386 D387	Q149-Q383 PolarHBondContact O-NE2 2.94Å; Q149-Q383 VanDerWaalsContact O-NE2 3.1Å; Q149-Q383 PolarHBondContact O-OE1 3.2Å; V379-Q383 WeakPolarHBondContact O-CB 3.41Å; V379-Q383 PolarHBondContact O-N 3.27Å; Q380-Q383 PolarHBondContact O-N 2.78Å; Q383-V385 VanDerWaalsContact C-N 3.27Å; Q383-V385 PolarHBondContact O-N 3.38Å; Q383-I386 PolarHBondContact O-N 3.2Å; Q383-I386 VanDerWaalsContact O-N 3.09Å; Q383-D387 PolarHBondContact NE2-OD1 3.02Å; Q383-D387 VanDerWaalsContact O-CG 3.31Å; Q383-D387 PolarHBondContact O-N 3.33Å
384	T	97.4	Very high	98	Very high	23 Å²	23	24.6 Å²	24.6	14%	0.141	13%	0.125	C	C	.	.	H	α-helix	trans	-55.3	-43	174.2	-59.3	0	0	0	0	111.8	R348 Q380 L381 V382 G388 L411	R348-T384 HydrophobicContact CB-CG2 4.48Å; Q380-T384 WeakPolarHBondContact O-CB 3.33Å; Q380-T384 PolarHBondContact O-N 2.61Å; Q380-T384 PolarHBondContact O-OG1 3.13Å; L381-T384 WeakPolarHBondContact O-CB 3.39Å; L381-T384 PolarHBondContact O-N 3.23Å; V382-T384 VanDerWaalsContact C-N 3.33Å; V382-T384 PolarHBondContact O-N 3.06Å; T384-G388 PolarHBondContact O-N 3.48Å; T384-L411 HydrophobicContact CG2-CD1 4.04Å
385	V	98.3	Very high	98.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.6	-43	176.4	174.7	0	0	0	0	111.3	A325 L349 N370 L381 V382 Q383 V389	A325-V385 HydrophobicContact CB-CG2 4.11Å; A325-V385 WeakPolarHBondContact O-CG2 3.22Å; L349-V385 HydrophobicContact CD2-CG2 4.18Å; N370-V385 HydrophobicContact CB-CG2 3.69Å; L381-V385 WeakPolarHBondContact O-CG2 3.37Å; L381-V385 PolarHBondContact O-N 3.22Å; L381-V385 VanDerWaalsContact O-N 3.1Å; V382-V385 PolarHBondContact O-N 2.94Å; Q383-V385 VanDerWaalsContact C-N 3.27Å; Q383-V385 PolarHBondContact O-N 3.38Å; V385-V389 HydrophobicContact CG1-CG2 3.98Å; V385-V389 VanDerWaalsContact O-CB 3.24Å; V385-V389 WeakPolarHBondContact O-CB 3.21Å; V385-V389 WeakPolarHBondContact O-CG2 3.41Å; V385-V389 PolarHBondContact O-N 3.33Å
386	I	98.6	Very high	98.2	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-51.4	178.6	-70.3	166.1	0	0	0	110.8	I148 F153 M278 V382 Q383 N390	I148-I386 HydrophobicContact CG2-CD1 3.39Å; F153-I386 HydrophobicContact CE1-CB 4.36Å; F153-I386 HydrophobicContact CE1-CG1 4.38Å; F153-I386 HydrophobicContact CE1-CG2 4.31Å; F153-I386 HydrophobicContact CZ-CB 4.34Å; F153-I386 HydrophobicContact CZ-CG1 3.96Å; M278-I386 HydrophobicContact CB-CG1 4.41Å; M278-I386 HydrophobicContact CG-CD1 4.22Å; M278-I386 HydrophobicContact CG-CG1 4.03Å; V382-I386 HydrophobicContact CG1-CD1 3.91Å; V382-I386 HydrophobicContact CG1-CG1 4.48Å; V382-I386 WeakPolarHBondContact O-CG1 3.42Å; V382-I386 PolarHBondContact O-N 3.01Å; Q383-I386 PolarHBondContact O-N 3.2Å; Q383-I386 VanDerWaalsContact O-N 3.09Å; I386-N390 WeakPolarHBondContact O-CB 3.46Å; I386-N390 PolarHBondContact O-N 3.12Å; I386-N390 VanDerWaalsContact O-N 3.1Å; I386-N390 PolarHBondContact O-ND2 2.92Å
387	D	98.4	Very high	98.4	Very high	88 Å²	88	24.9 Å²	24.9	47%	0.471	12%	0.122	S	C	.	.	H	α-helix	trans	-66.7	-44.8	-177.1	-61.6	-14.5	0	0	0	110.9	Q383 N390 Y391	Q383-D387 PolarHBondContact NE2-OD1 3.02Å; Q383-D387 VanDerWaalsContact O-CG 3.31Å; Q383-D387 PolarHBondContact O-N 3.33Å; D387-N390 PolarHBondContact O-N 3.17Å; D387-Y391 PolarHBondContact O-N 3.1Å
388	G	98.2	Very high	98.4	Very high	2 Å²	2	28.1 Å²	28.1	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-65.5	-44.9	179.9	0	0	0	0	0	113	T384 N390 Y391 L392	T384-G388 PolarHBondContact O-N 3.48Å; G388-N390 PolarHBondContact O-N 2.89Å; G388-Y391 WeakPolarHBondContact O-CB 3.2Å; G388-Y391 PolarHBondContact O-N 3.46Å; G388-L392 WeakPolarHBondContact O-CG 3.42Å; G388-L392 PolarHBondContact O-N 2.94Å
389	V	98.6	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.4	-40.6	177.7	169.8	0	0	0	0	111.2	F153 V158 V327 I368 V385 Y391 L392 I393	F153-V389 HydrophobicContact CD1-CB 4.35Å; F153-V389 HydrophobicContact CD1-CG1 3.82Å; F153-V389 HydrophobicContact CE1-CB 3.74Å; F153-V389 HydrophobicContact CE1-CG1 3.7Å; F153-V389 HydrophobicContact CE2-CG1 4.41Å; F153-V389 HydrophobicContact CG-CG1 4.25Å; F153-V389 HydrophobicContact CZ-CB 3.97Å; F153-V389 HydrophobicContact CZ-CG1 4.01Å; F153-V389 HydrophobicContact CZ-CG2 4.47Å; V158-V389 HydrophobicContact CG2-CG1 4.1Å; V327-V389 HydrophobicContact CG2-CB 4.49Å; V327-V389 HydrophobicContact CG2-CG1 3.93Å; V327-V389 HydrophobicContact CG2-CG2 3.66Å; I368-V389 HydrophobicContact CG2-CG2 4.28Å; V385-V389 HydrophobicContact CG1-CG2 3.98Å; V385-V389 VanDerWaalsContact O-CB 3.24Å; V385-V389 WeakPolarHBondContact O-CB 3.21Å; V385-V389 WeakPolarHBondContact O-CG2 3.41Å; V385-V389 PolarHBondContact O-N 3.33Å; V389-Y391 VanDerWaalsContact C-N 3.29Å; V389-Y391 PolarHBondContact O-N 3.06Å; V389-L392 PolarHBondContact O-N 3.34Å; V389-I393 HydrophobicContact CG1-CD1 3.93Å; V389-I393 HydrophobicContact CG1-CG1 4.45Å; V389-I393 WeakPolarHBondContact O-CG1 3.26Å; V389-I393 PolarHBondContact O-N 3.25Å
390	N	98.6	Very high	98.3	Very high	57 Å²	57	32.6 Å²	32.6	31%	0.305	15%	0.154	S	C	.	.	H	α-helix	trans	-60	-40.6	173.9	-79.2	-37.5	0	0	0	111.9	I386 D387 G388 I393 E394	I386-N390 WeakPolarHBondContact O-CB 3.46Å; I386-N390 PolarHBondContact O-N 3.12Å; I386-N390 VanDerWaalsContact O-N 3.1Å; I386-N390 PolarHBondContact O-ND2 2.92Å; D387-N390 PolarHBondContact O-N 3.17Å; G388-N390 PolarHBondContact O-N 2.89Å; N390-I393 PolarHBondContact O-N 3.22Å; N390-E394 PolarHBondContact O-N 3.18Å
391	Y	98.6	Very high	98.4	Very high	68 Å²	68	35.7 Å²	35.7	27%	0.267	17%	0.166	S	C	.	.	H	α-helix	trans	-62.8	-42.1	174.5	-172.7	-90.3	0	0	0	112.7	I343 L347 D387 G388 V389 E394 C395 K406 P408	I343-Y391 HydrophobicContact CG2-CD1 4.19Å; I343-Y391 HydrophobicContact CG2-CE1 4.04Å; L347-Y391 HydrophobicContact CD1-CD1 3.83Å; L347-Y391 HydrophobicContact CD1-CG 4.36Å; D387-Y391 PolarHBondContact O-N 3.1Å; G388-Y391 WeakPolarHBondContact O-CB 3.2Å; G388-Y391 PolarHBondContact O-N 3.46Å; V389-Y391 VanDerWaalsContact C-N 3.29Å; V389-Y391 PolarHBondContact O-N 3.06Å; Y391-E394 PolarHBondContact O-N 2.88Å; Y391-C395 WeakPolarHBondContact CE1-SG 3.45Å; Y391-C395 PolarHBondContact O-N 2.89Å; Y391-C395 PolarHBondContact O-SG 3.25Å; Y391-K406 PolarHBondContact OH-O 3.23Å; Y391-P408 HydrophobicContact CD1-CG 4.4Å; Y391-P408 HydrophobicContact CE1-CB 4.27Å; Y391-P408 HydrophobicContact CE1-CG 3.83Å; Y391-P408 HydrophobicContact CE2-CB 4.35Å
392	L	98.6	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-63	-42.1	176.5	-63.4	178.4	0	0	0	111.5	L331 L334 F340 I343 L344 L347 L349 I368 G388 V389 E394 C395 E396	L331-L392 HydrophobicContact CD1-CB 4.26Å; L331-L392 HydrophobicContact CD1-CD1 4.21Å; L331-L392 HydrophobicContact CD2-CB 4.3Å; L334-L392 HydrophobicContact CD2-CB 4.07Å; L334-L392 HydrophobicContact CD2-CD2 3.69Å; L334-L392 HydrophobicContact CD2-CG 4.46Å; F340-L392 HydrophobicContact CE2-CD2 4.12Å; I343-L392 HydrophobicContact CG2-CD2 3.7Å; L344-L392 HydrophobicContact CD2-CD1 3.97Å; L344-L392 HydrophobicContact CD2-CD2 4.34Å; L347-L392 HydrophobicContact CD1-CD2 4.18Å; L347-L392 HydrophobicContact CD1-CG 4.48Å; L349-L392 HydrophobicContact CD1-CD1 4.04Å; I368-L392 HydrophobicContact CG1-CD1 4.31Å; I368-L392 HydrophobicContact CG2-CD1 3.95Å; G388-L392 WeakPolarHBondContact O-CG 3.42Å; G388-L392 PolarHBondContact O-N 2.94Å; V389-L392 PolarHBondContact O-N 3.34Å; L392-E394 VanDerWaalsContact C-N 3.34Å; L392-C395 WeakPolarHBondContact O-CB 3.34Å; L392-C395 PolarHBondContact O-N 3.11Å; L392-E396 PolarHBondContact O-N 2.85Å
393	I	98.6	Very high	98.4	Very high	4 Å²	4	43.5 Å²	43.5	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-41.9	176	-68.5	167.7	0	0	0	110.7	F153 D154 Y157 V158 V329 V389 N390 C395 E396 K397	F153-I393 HydrophobicContact CB-CD1 4.42Å; D154-I393 HydrophobicContact CB-CG2 4.32Å; Y157-I393 HydrophobicContact CD2-CG2 3.77Å; Y157-I393 HydrophobicContact CE2-CG2 4.11Å; Y157-I393 HydrophobicContact CG-CG1 4.39Å; Y157-I393 HydrophobicContact CG-CG2 4.13Å; V158-I393 HydrophobicContact CG2-CD1 3.93Å; V329-I393 HydrophobicContact CG2-CG1 4.31Å; V389-I393 HydrophobicContact CG1-CD1 3.93Å; V389-I393 HydrophobicContact CG1-CG1 4.45Å; V389-I393 WeakPolarHBondContact O-CG1 3.26Å; V389-I393 PolarHBondContact O-N 3.25Å; N390-I393 PolarHBondContact O-N 3.22Å; I393-C395 VanDerWaalsContact C-N 3.34Å; I393-E396 PolarHBondContact O-N 2.76Å; I393-K397 HydrophobicContact CG2-CD 4.04Å; I393-K397 WeakPolarHBondContact O-CG 3.48Å; I393-K397 PolarHBondContact O-N 3.32Å
394	E	98.5	Very high	98.3	Very high	95 Å²	95	46.9 Å²	46.9	44%	0.444	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-41.1	176	-177	54.5	-150.1	0	0	111.5	N390 Y391 L392 E396 K397 R398	N390-E394 PolarHBondContact O-N 3.18Å; Y391-E394 PolarHBondContact O-N 2.88Å; L392-E394 VanDerWaalsContact C-N 3.34Å; E394-E396 PolarHBondContact O-N 3.34Å; E394-K397 PolarHBondContact O-N 2.85Å; E394-R398 VanDerWaalsContact O-CG 3.28Å; E394-R398 WeakPolarHBondContact O-CG 3.2Å; E394-R398 PolarHBondContact O-N 3.09Å; E394-R398 WeakPolarHBondContact OE1-CD 3.49Å; E394-R398 WeakPolarHBondContact OE1-CG 3.4Å
395	C	98.6	Very high	98.4	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-45	173.8	-69.8	0	0	0	0	112	L334 Y391 L392 I393 R398 L399 I405	L334-C395 HydrophobicContact CD1-CB 4.17Å; L334-C395 HydrophobicContact CD2-CB 3.86Å; Y391-C395 WeakPolarHBondContact CE1-SG 3.45Å; Y391-C395 PolarHBondContact O-N 2.89Å; Y391-C395 PolarHBondContact O-SG 3.25Å; L392-C395 WeakPolarHBondContact O-CB 3.34Å; L392-C395 PolarHBondContact O-N 3.11Å; I393-C395 VanDerWaalsContact C-N 3.34Å; C395-R398 PolarHBondContact O-N 2.65Å; C395-L399 WeakPolarHBondContact O-CG 3.47Å; C395-L399 PolarHBondContact O-N 3.22Å; C395-I405 HydrophobicContact CB-CB 4.44Å; C395-I405 HydrophobicContact CB-CD1 4.29Å; C395-I405 HydrophobicContact CB-CG2 3.92Å
396	E	98.6	Very high	98.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-59.5	-48.5	176.2	-173.1	64.3	-155.7	0	0	111.2	Y157 L331 P332 R333 L334 L392 I393 E394 R398 L399 E400	Y157-E396 HydrophobicContact CD1-CB 4.47Å; Y157-E396 HydrophobicContact CD1-CG 3.99Å; Y157-E396 HydrophobicContact CE1-CB 4.21Å; Y157-E396 HydrophobicContact CE1-CG 3.63Å; L331-E396 WeakPolarHBondContact CA-OE2 3.5Å; L331-E396 HydrophobicContact CD2-CB 3.86Å; L331-E396 HydrophobicContact CD2-CG 4.27Å; P332-E396 WeakPolarHBondContact CD-OE1 3.15Å; P332-E396 VanDerWaalsContact CG-OE1 3.31Å; P332-E396 WeakPolarHBondContact CG-OE1 3.29Å; R333-E396 VanDerWaalsContact CB-OE1 3.28Å; R333-E396 WeakPolarHBondContact CB-OE1 3.27Å; R333-E396 WeakPolarHBondContact CG-OE1 3.39Å; R333-E396 PolarHBondContact N-OE1 3.33Å; R333-E396 PolarHBondContact N-OE2 2.8Å; L334-E396 VanDerWaalsContact CB-OE2 3.26Å; L334-E396 WeakPolarHBondContact CB-OE2 3.38Å; L334-E396 PolarHBondContact N-OE2 3.3Å; L392-E396 PolarHBondContact O-N 2.85Å; I393-E396 PolarHBondContact O-N 2.76Å; E394-E396 PolarHBondContact O-N 3.34Å; E396-R398 VanDerWaalsContact C-N 3.27Å; E396-R398 PolarHBondContact O-N 2.84Å; E396-L399 PolarHBondContact O-N 3.23Å; E396-E400 WeakPolarHBondContact O-CG 3.29Å; E396-E400 PolarHBondContact O-N 3.23Å
397	K	98.6	Very high	98.3	Very high	44 Å²	44	55.8 Å²	55.8	19%	0.191	28%	0.283	C	S	.	.	H	α-helix	trans	-57.4	-37.3	176.9	-76.1	170.5	178.5	175.9	0	113.1	D154 Y157 I393 E394 K401	D154-K397 WeakPolarHBondContact OD2-CE 3.37Å; D154-K397 IonicContact OD2-NZ 3.36Å; D154-K397 PolarHBondContact OD2-NZ 3.36Å; Y157-K397 HydrophobicContact CE2-CD 4.41Å; Y157-K397 HydrophobicContact CE2-CG 4.09Å; Y157-K397 VanDerWaalsContact OH-CG 3.24Å; Y157-K397 WeakPolarHBondContact OH-CG 3.24Å; I393-K397 HydrophobicContact CG2-CD 4.04Å; I393-K397 WeakPolarHBondContact O-CG 3.48Å; I393-K397 PolarHBondContact O-N 3.32Å; E394-K397 PolarHBondContact O-N 2.85Å; K397-K401 WeakPolarHBondContact O-CG 3.04Å; K397-K401 PolarHBondContact O-N 3.09Å
398	R	98.6	Very high	98.3	Very high	74 Å²	74	52.7 Å²	52.7	28%	0.279	27%	0.267	S	S	.	.	H	α-helix	trans	-71.1	-45.1	177.5	-70.2	-179.4	82.1	-133.4	-7.8	110.9	E394 C395 E396 E400 K401 G402 Q403 D404 I405	E394-R398 VanDerWaalsContact O-CG 3.28Å; E394-R398 WeakPolarHBondContact O-CG 3.2Å; E394-R398 PolarHBondContact O-N 3.09Å; E394-R398 WeakPolarHBondContact OE1-CD 3.49Å; E394-R398 WeakPolarHBondContact OE1-CG 3.4Å; C395-R398 PolarHBondContact O-N 2.65Å; E396-R398 VanDerWaalsContact C-N 3.27Å; E396-R398 PolarHBondContact O-N 2.84Å; R398-E400 VanDerWaalsContact C-N 3.29Å; R398-E400 PolarHBondContact O-N 3.11Å; R398-K401 CarbonylContact O-C 3.54Å; R398-K401 PolarHBondContact O-N 2.99Å; R398-K401 VanDerWaalsContact O-N 3.08Å; R398-G402 PolarHBondContact O-N 2.77Å; R398-Q403 HydrophobicContact CB-CB 4.08Å; R398-Q403 WeakPolarHBondContact O-CB 3.42Å; R398-Q403 PolarHBondContact O-N 3.38Å; R398-D404 PolarHBondContact NH1-O 3.29Å; R398-D404 PolarHBondContact NH2-O 2.88Å; R398-I405 HydrophobicContact CB-CG2 4.03Å
399	L	98.4	Very high	98.2	Very high	26 Å²	26	56.5 Å²	56.5	14%	0.136	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-32.2	175.6	-68.3	175	0	0	0	112.7	R333 L334 C395 E396 K401 G402 I405	R333-L399 HydrophobicContact CB-CB 3.81Å; R333-L399 HydrophobicContact CB-CD1 4.03Å; R333-L399 VanDerWaalsContact CD-C 3.43Å; R333-L399 WeakPolarHBondContact CD-O 3.44Å; R333-L399 PolarHBondContact NH1-O 3.4Å; L334-L399 HydrophobicContact CB-CD1 4Å; L334-L399 HydrophobicContact CD1-CD1 4.23Å; C395-L399 WeakPolarHBondContact O-CG 3.47Å; C395-L399 PolarHBondContact O-N 3.22Å; E396-L399 PolarHBondContact O-N 3.23Å; L399-K401 VanDerWaalsContact C-N 3.26Å; L399-K401 PolarHBondContact O-N 2.91Å; L399-G402 PolarHBondContact O-N 3.45Å; L399-I405 HydrophobicContact CD1-CD1 4.1Å; L399-I405 HydrophobicContact CD2-CG1 4.4Å; L399-I405 HydrophobicContact CD2-CG2 4.16Å; L399-I405 HydrophobicContact CG-CD1 4.47Å; L399-I405 HydrophobicContact CG-CG2 3.93Å
400	E	97.7	Very high	98	Very high	82 Å²	82	60.6 Å²	60.6	38%	0.383	33%	0.325	S	S	.	.	H	α-helix	trans	-60.8	-36.6	172.1	-76.2	173.1	165.4	0	0	112.4	Y157 E396 R398 G402	Y157-E400 WeakPolarHBondContact CE1-OE1 3.31Å; Y157-E400 PolarHBondContact OH-OE1 3.1Å; Y157-E400 PolarHBondContact OH-OE2 2.83Å; E396-E400 WeakPolarHBondContact O-CG 3.29Å; E396-E400 PolarHBondContact O-N 3.23Å; R398-E400 VanDerWaalsContact C-N 3.29Å; R398-E400 PolarHBondContact O-N 3.11Å; E400-G402 VanDerWaalsContact C-N 3.31Å
401	K	98.3	Very high	97.6	Very high	149 Å²	149	61.8 Å²	61.8	65%	0.648	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	5.1	177.5	-62.7	171.1	-172.7	174.7	0	113.7	K397 R398 L399 Q403	K397-K401 WeakPolarHBondContact O-CG 3.04Å; K397-K401 PolarHBondContact O-N 3.09Å; R398-K401 CarbonylContact O-C 3.54Å; R398-K401 PolarHBondContact O-N 2.99Å; R398-K401 VanDerWaalsContact O-N 3.08Å; L399-K401 VanDerWaalsContact C-N 3.26Å; L399-K401 PolarHBondContact O-N 2.91Å; K401-Q403 VanDerWaalsContact C-N 3.3Å; K401-Q403 HydrophobicContact CB-CG 4.07Å; K401-Q403 PolarHBondContact O-N 2.88Å
402	G	97.6	Very high	96.7	Very high	72 Å²	72	68 Å²	68	74%	0.742	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	22.7	-176.3	0	0	0	0	0	114.3	R398 L399 E400	R398-G402 PolarHBondContact O-N 2.77Å; L399-G402 PolarHBondContact O-N 3.45Å; E400-G402 VanDerWaalsContact C-N 3.31Å
403	Q	98.3	Very high	95.3	Very high	93 Å²	93	69.5 Å²	69.5	44%	0.435	37%	0.366	S	S	.	.			trans	-95.9	148.3	179.6	-59.6	177.9	-14.9	0	0	111.4	R398 K401	R398-Q403 HydrophobicContact CB-CB 4.08Å; R398-Q403 WeakPolarHBondContact O-CB 3.42Å; R398-Q403 PolarHBondContact O-N 3.38Å; K401-Q403 VanDerWaalsContact C-N 3.3Å; K401-Q403 HydrophobicContact CB-CG 4.07Å; K401-Q403 PolarHBondContact O-N 2.88Å
404	D	97.9	Very high	94	Very high	103 Å²	103	72.2 Å²	72.2	55%	0.551	38%	0.378	S	S	*	.			trans	-76.1	146.3	179.7	-175.8	40.9	0	0	0	113.1	R339 R398	R339-D404 IonicContact CZ-OD1 3.81Å; R339-D404 IonicContact NH1-OD1 2.7Å; R339-D404 PolarHBondContact NH1-OD1 3.3Å; R339-D404 IonicContact NH1-OD2 3.36Å; R339-D404 IonicContact NH2-OD1 3.84Å; R339-D404 PolarHBondContact NH2-OD1 3.25Å; R398-D404 PolarHBondContact NH1-O 3.29Å; R398-D404 PolarHBondContact NH2-O 2.88Å
405	I	98.4	Very high	91.8	Very high	2 Å²	2	80.8 Å²	80.8	1%	0.01	41%	0.414	C	S	.	.			trans	-109	159.5	179.6	61.1	168.6	0	0	0	112.1	L334 R339 I343 C395 R398 L399	L334-I405 HydrophobicContact CD1-CD1 3.51Å; R339-I405 VanDerWaalsContact CZ-CG1 3.44Å; R339-I405 PolarHBondContact NH1-O 2.87Å; R339-I405 VanDerWaalsContact NH2-CG1 3.33Å; I343-I405 HydrophobicContact CD1-CD1 3.9Å; C395-I405 HydrophobicContact CB-CB 4.44Å; C395-I405 HydrophobicContact CB-CD1 4.29Å; C395-I405 HydrophobicContact CB-CG2 3.92Å; R398-I405 HydrophobicContact CB-CG2 4.03Å; L399-I405 HydrophobicContact CD1-CD1 4.1Å; L399-I405 HydrophobicContact CD2-CG1 4.4Å; L399-I405 HydrophobicContact CD2-CG2 4.16Å; L399-I405 HydrophobicContact CG-CD1 4.47Å; L399-I405 HydrophobicContact CG-CG2 3.93Å
406	K	97.5	Very high	91.4	Very high	152 Å²	152	84.6 Å²	84.6	66%	0.661	43%	0.433	S	S	*	.			trans	-109.1	156.5	177.2	-66.6	-174.4	178.9	-178.7	0	110.1	Y391	Y391-K406 PolarHBondContact OH-O 3.23Å
407	V	98.3	Very high	91.1	Very high	57 Å²	57	89.1 Å²	89.1	35%	0.345	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-86.8	124.1	166.2	179	0	0	0	0	106.9	R339 K342 I343 N346	R339-V407 HydrophobicContact CB-CG2 4.03Å; R339-V407 HydrophobicContact CG-CG2 4.2Å; K342-V407 HydrophobicContact CG-CG1 3.86Å; I343-V407 HydrophobicContact CG1-CG1 4.46Å; I343-V407 HydrophobicContact CG1-CG2 4.22Å; N346-V407 WeakPolarHBondContact ND2-CG1 3.41Å
408	P	97.5	Very high	90.7	Very high	22 Å²	22	91.6 Å²	91.6	14%	0.143	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-68.3	156.8	178.8	28.9	-32.3	0	0	0	110.1	I343 N346 L347 Y391	I343-P408 HydrophobicContact CG2-CG 4.33Å; N346-P408 HydrophobicContact CB-CG 4.35Å; N346-P408 PolarHBondContact ND2-O 3Å; L347-P408 HydrophobicContact CD1-CG 4.33Å; L347-P408 HydrophobicContact CD2-CB 4.19Å; L347-P408 HydrophobicContact CD2-CG 3.77Å; L347-P408 HydrophobicContact CG-CG 3.79Å; Y391-P408 HydrophobicContact CD1-CG 4.4Å; Y391-P408 HydrophobicContact CE1-CB 4.27Å; Y391-P408 HydrophobicContact CE1-CG 3.83Å; Y391-P408 HydrophobicContact CE2-CB 4.35Å
409	A	96.7	Very high	90.2	Very high	83 Å²	83	92.6 Å²	92.6	69%	0.686	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-62.6	147	172.2	0	0	0	0	0	110.6	L411	A409-L411 PolarHBondContact O-N 3.26Å
410	P	94	Very high	89.7	Confident	86 Å²	86	96.8 Å²	96.8	56%	0.558	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-60.6	133.1	175.6	-18.4	29.2	0	0	0	111.7	N346	N346-P410 HydrophobicContact CB-CB 4.46Å
411	L	89.6	Confident	89.1	Confident	81 Å²	81	97.7 Å²	97.7	42%	0.424	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-66.4	135.4	171.3	-65	176	0	0	0	110.3	N346 R348 T384 A409 Q413	N346-L411 WeakPolarHBondContact O-CG 3.26Å; N346-L411 PolarHBondContact O-N 3.08Å; R348-L411 HydrophobicContact CB-CD1 4.5Å; R348-L411 HydrophobicContact CG-CB 4.01Å; R348-L411 HydrophobicContact CG-CD1 4.16Å; T384-L411 HydrophobicContact CG2-CD1 4.04Å; A409-L411 PolarHBondContact O-N 3.26Å; L411-Q413 PolarHBondContact O-N 2.71Å
412	K	80.3	Confident	88.5	Confident	198 Å²	198	94.1 Å²	94.1	86%	0.861	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-68.9	129	169.1	-67.1	-174.1	179.6	-175.3	0	108.8
413	Q	70	Confident	87.8	Confident	32 Å²	32	95.8 Å²	95.8	15%	0.15	48%	0.484	C	S	.	.	S	Bend	trans	-83	-44.3	-175.9	-81.6	-166.1	-52.5	0	0	114.8	N130 D372 L411	N130-Q413 VanDerWaalsContact CB-OE1 3.27Å; N130-Q413 PolarHBondContact ND2-NE2 3.04Å; N130-Q413 PolarHBondContact ND2-OE1 2.78Å; N130-Q413 PolarHBondContact O-OE1 2.92Å; D372-Q413 PolarHBondContact OD1-NE2 3.37Å; D372-Q413 VanDerWaalsContact OD1-NE2 3.1Å; D372-Q413 PolarHBondContact OD2-NE2 2.89Å; D372-Q413 VanDerWaalsContact OD2-NE2 3.09Å; L411-Q413 PolarHBondContact O-N 2.71Å
414	F	70.8	Confident	86.9	Confident	62 Å²	62	96 Å²	96	27%	0.272	49%	0.488	S	S	.	.			trans	-119.2	141.6	177.4	-49.6	-64.3	0	0	0	107.3	Y132	Y132-F414 HydrophobicContact CD2-CE1 4Å; Y132-F414 HydrophobicContact CD2-CZ 4.49Å
415	K	52	Low	85.9	Confident	274 Å²	274	95.4 Å²	95.4	100%	1.191	48%	0.482	S	S	*	.			trans	-75.6	0	176.9	-82.4	-171.3	176.2	-178.1	0	111.1

Retrieved 415 of 415 residues in 340 ms (Link to these results)

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