A0A077YVV7_TRITR Loading...

Abnormal cell migration protein 18-like fibronectin type I domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YVV7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 852 aa.

						>A0A077YVV7_TRITR|A0A077YVV7
MEKLTISKMTKQFSIFLLFYTIFFAPSSSLHVTRRIRTITVTTTSSTDVRQKNFIKEAYRTNEVSSRYRTTGSYGGRFGGIGGAHGGIDLSYENLFNDNAHQKNIIQETYRSDEINGRHGNTGSHGGRYTDIGRTHDDTELNYGSIFGSAPRQKSQTKQSYRSYEINQRRENIGGYAKRYGSTEEGHDSAEFNFVGDRDGHYKLNKPYTVDLIFGISGVPMVNGAYKGREDNRGKEGGRGSIEFNSVGIGNGKNHKPDKKSTVDPTYGISGVSKVNGAYKRRQDNGDTEEGYGSTEFNSVGDRDGNYKLNKKYTVDLIFGSSGVPLVNGAYKGHENNGGTKGDHASTEFNPAGNGDGKDYKLNKKSTINVIYGISEIPKVDRAYYKDHKVNGGTEGSHDSTEFNSVGNGDGNYKLNKPYTVDLIFGSSGAPKANGVYKSRENNGGIKGSHDSAEFNSVDKGNGKNYKLHEKYTVDHKYGSSGVQKVDGAYYKDHEVNGGTKGGHDSAEFNSVGNANGKNYKVTMNFIYGSIGVQKVNVGYKYHEDSHVYEDYERRKGSMDDGCDVDSGRHLKFGETYRKGNFIVKCEKIGTNIATTPIKCILDGTEMHIGERKRKGGFAYACQKTMTGIAMSIVGCFGDNGAFVDFGQKFTVSNFIFVCTKDGNGGFHKAYGCIIEGRKVKMGETVELGAYVYKCLPSGDGGIRTEISGCLDKSRKQIKFGQRYRDGPFLYQCRKTETGVASVLAGCIAKVSGFDQEFKFGESWNTDTSSPLSYKMKCTGNESTASTEITHCVANLDYAKSVITVGNSVQLPNTMMVFTCRRQRDGTVTGRVMSCDEFRKIEPGFSCGKTRF
					

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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	42.3	Very low	48.1	Very low	249 Å²	249	165 Å²	165	100%	1.227	83%	0.827	S	S	*	*				0	118.6	0	-67.5	-178	-162.8	0	0	106.9
2	E	37.1	Very low	48.9	Very low	184 Å²	184	162.7 Å²	162.7	86%	0.86	81%	0.812	S	S	*	*			trans	-154.6	93.8	-150.5	-178.3	175.3	-154.9	0	0	109.9
3	K	39.8	Very low	49.7	Very low	197 Å²	197	161.8 Å²	161.8	86%	0.857	80%	0.801	S	S	*	*			trans	179	163.6	171.1	-101.5	146.7	-171.8	175.5	0	109.1
4	L	45.1	Very low	50.5	Low	162 Å²	162	155.4 Å²	155.4	85%	0.848	78%	0.779	S	S	*	*			trans	66.9	138.7	-166.2	-66	75.8	0	0	0	112.8
5	T	52.3	Low	51.7	Low	117 Å²	117	151.8 Å²	151.8	72%	0.718	76%	0.762	S	S	*	*			cis	-138.5	100.1	10.7	-25.4	0	0	0	0	112.1	S7	T5-S7 PolarHBondContact O-N 3.09Å; T5-S7 VanDerWaalsContact O-N 3.15Å
6	I	52.1	Low	52.4	Low	182 Å²	182	151.9 Å²	151.9	93%	0.933	76%	0.757	S	S	*	*			trans	-78.2	95.9	169.1	-60.2	173.7	0	0	0	107.7
7	S	51.3	Low	53.3	Low	84 Å²	84	149.6 Å²	149.6	59%	0.587	75%	0.747	S	S	*	*			trans	-151.9	-26.1	-176.7	-172.6	0	0	0	0	115.6	T5	T5-S7 PolarHBondContact O-N 3.09Å; T5-S7 VanDerWaalsContact O-N 3.15Å
8	K	49.8	Very low	54	Low	195 Å²	195	147 Å²	147	85%	0.848	74%	0.735	S	S	*	*	S	Bend	trans	-89.4	-13	-174.3	-76.8	-175	175.2	177.7	0	116.4
9	M	52.4	Low	54.4	Low	152 Å²	152	145.9 Å²	145.9	75%	0.749	73%	0.726	S	S	*	*	S	Bend	trans	-78.8	-28.1	-173.3	-74.6	-179.6	169.5	0	0	114.9	K11 Q12	M9-K11 VanDerWaalsContact C-N 3.3Å; M9-K11 PolarHBondContact O-N 3.49Å; M9-Q12 PolarHBondContact O-N 3.21Å
10	T	54.6	Low	55.1	Low	113 Å²	113	146 Å²	146	69%	0.693	72%	0.718	S	S	*	*	H	α-helix	trans	-67.6	-23.9	-175.8	36.6	0	0	0	0	114.4
11	K	52.2	Low	55.5	Low	180 Å²	180	143.8 Å²	143.8	78%	0.783	71%	0.713	S	S	*	*	H	α-helix	trans	-77.9	-20.5	175.8	-87.1	-171.6	174.6	-176.8	0	114.8	M9	M9-K11 VanDerWaalsContact C-N 3.3Å; M9-K11 PolarHBondContact O-N 3.49Å
12	Q	57.3	Low	56.6	Low	137 Å²	137	137.5 Å²	137.5	64%	0.64	68%	0.683	S	S	*	*	H	α-helix	trans	-80.8	-36.2	173.4	-83.2	-174.6	-37.2	0	0	112.5	M9 S14 I15 F16	M9-Q12 PolarHBondContact O-N 3.21Å; Q12-S14 VanDerWaalsContact C-N 3.34Å; Q12-S14 PolarHBondContact O-N 3.15Å; Q12-I15 PolarHBondContact O-N 3.19Å; Q12-F16 PolarHBondContact O-N 3Å
13	F	59.2	Low	57.7	Low	152 Å²	152	135.9 Å²	135.9	67%	0.667	67%	0.674	S	S	*	*	H	α-helix	trans	-62.5	-37.3	179.9	-103.4	-90.2	0	0	0	113.6	I15 F16 L17	F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 3.13Å; F13-F16 PolarHBondContact O-N 3.08Å; F13-L17 PolarHBondContact O-N 3.22Å; F13-L17 VanDerWaalsContact O-N 3.12Å
14	S	61.7	Low	58.6	Low	72 Å²	72	133.2 Å²	133.2	50%	0.503	66%	0.662	S	S	.	*	H	α-helix	trans	-63.1	-37.7	176.4	179.2	0	0	0	0	112.7	Q12 L17 L18	Q12-S14 VanDerWaalsContact C-N 3.34Å; Q12-S14 PolarHBondContact O-N 3.15Å; S14-L17 PolarHBondContact O-N 3.5Å; S14-L18 PolarHBondContact O-N 3.41Å; S14-L18 VanDerWaalsContact O-N 3.15Å
15	I	68.2	Low	59.1	Low	101 Å²	101	129.3 Å²	129.3	52%	0.518	65%	0.654	S	S	.	*	H	α-helix	trans	-68.5	-38.7	177	-65.5	173.6	0	0	0	111	Q12 F13 L18 F19	Q12-I15 PolarHBondContact O-N 3.19Å; F13-I15 VanDerWaalsContact C-N 3.34Å; F13-I15 PolarHBondContact O-N 3.13Å; I15-L18 PolarHBondContact O-N 3.03Å; I15-F19 HydrophobicContact CG2-CD2 4.2Å; I15-F19 PolarHBondContact O-N 3.14Å
16	F	63	Low	59	Low	154 Å²	154	129.8 Å²	129.8	68%	0.675	66%	0.659	S	S	*	*	H	α-helix	trans	-65.4	-39.4	176.4	-95.7	-87.7	0	0	0	113	Q12 F13 F19 Y20	Q12-F16 PolarHBondContact O-N 3Å; F13-F16 PolarHBondContact O-N 3.08Å; F16-F19 PolarHBondContact O-N 2.86Å; F16-Y20 PolarHBondContact O-N 3.45Å
17	L	67.8	Low	58.7	Low	113 Å²	113	127.2 Å²	127.2	59%	0.592	66%	0.657	S	S	*	*	H	α-helix	trans	-67.4	-35.7	175.6	-75.7	165.1	0	0	0	112.8	F13 S14 Y20 T21	F13-L17 PolarHBondContact O-N 3.22Å; F13-L17 VanDerWaalsContact O-N 3.12Å; S14-L17 PolarHBondContact O-N 3.5Å; L17-Y20 PolarHBondContact O-N 3.13Å; L17-T21 WeakPolarHBondContact O-CG2 3.29Å; L17-T21 PolarHBondContact O-N 3Å; L17-T21 VanDerWaalsContact O-N 3.12Å; L17-T21 PolarHBondContact O-OG1 3.07Å
18	L	66	Low	58.5	Low	102 Å²	102	127.9 Å²	127.9	53%	0.534	66%	0.661	S	S	.	*	H	α-helix	trans	-65.7	-38.7	171.6	-112.2	161.9	0	0	0	112.3	S14 I15 T21 I22	S14-L18 PolarHBondContact O-N 3.41Å; S14-L18 VanDerWaalsContact O-N 3.15Å; I15-L18 PolarHBondContact O-N 3.03Å; L18-T21 PolarHBondContact O-OG1 2.64Å; L18-I22 HydrophobicContact CD2-CD1 4.19Å; L18-I22 WeakPolarHBondContact O-CD1 3.41Å; L18-I22 VanDerWaalsContact O-CG1 3.25Å; L18-I22 WeakPolarHBondContact O-CG1 3.31Å; L18-I22 PolarHBondContact O-N 2.89Å
19	F	61.8	Low	58.2	Low	127 Å²	127	124.4 Å²	124.4	56%	0.557	66%	0.662	S	S	*	*	H	α-helix	trans	-68	-41.5	173.3	-100.8	-89.4	0	0	0	112.7	I15 F16 T21 I22 F23	I15-F19 HydrophobicContact CG2-CD2 4.2Å; I15-F19 PolarHBondContact O-N 3.14Å; F16-F19 PolarHBondContact O-N 2.86Å; F19-T21 PolarHBondContact O-N 2.95Å; F19-I22 PolarHBondContact O-N 3.2Å; F19-F23 HydrophobicContact CD1-CD2 4.17Å; F19-F23 AromaticContact CD1-CE2 3.92Å; F19-F23 HydrophobicContact CD1-CE2 3.92Å; F19-F23 HydrophobicContact CE1-CE2 4.08Å; F19-F23 WeakPolarHBondContact O-CD2 3.41Å; F19-F23 PolarHBondContact O-N 3.47Å
20	Y	67.1	Low	57.8	Low	147 Å²	147	124.6 Å²	124.6	58%	0.576	67%	0.665	S	S	*	*	H	α-helix	trans	-66.6	-39.9	-177.8	-144.8	-86.5	0	0	0	112.3	F16 L17 I22 F23 F24	F16-Y20 PolarHBondContact O-N 3.45Å; L17-Y20 PolarHBondContact O-N 3.13Å; Y20-I22 PolarHBondContact O-N 2.04Å; Y20-F23 PolarHBondContact O-N 2.88Å; Y20-F24 HydrophobicContact CD1-CB 4.28Å; Y20-F24 AromaticContact CD1-CD2 3.84Å; Y20-F24 HydrophobicContact CD1-CD2 3.84Å; Y20-F24 HydrophobicContact CD1-CG 4.32Å; Y20-F24 HydrophobicContact CD2-CD2 4.4Å; Y20-F24 HydrophobicContact CE1-CB 4.16Å; Y20-F24 AromaticContact CE1-CD2 3.54Å; Y20-F24 HydrophobicContact CE1-CD2 3.54Å; Y20-F24 HydrophobicContact CE1-CE2 4.08Å; Y20-F24 AromaticContact CE1-CG 3.89Å; Y20-F24 HydrophobicContact CE1-CG 3.89Å; Y20-F24 HydrophobicContact CE2-CD2 4.14Å; Y20-F24 AromaticContact CE2-CE2 4Å; Y20-F24 HydrophobicContact CE2-CE2 4Å; Y20-F24 HydrophobicContact CG-CD2 4.26Å; Y20-F24 AromaticContact CZ-CD2 3.7Å; Y20-F24 AromaticContact CZ-CE2 3.74Å; Y20-F24 PolarHBondContact O-N 3.24Å
21	T	64.2	Low	57.1	Low	100 Å²	100	128.4 Å²	128.4	61%	0.613	68%	0.675	S	S	*	*	H	α-helix	trans	-69.2	-29.4	177.9	45.8	0	0	0	0	113.4	L17 L18 F19	L17-T21 WeakPolarHBondContact O-CG2 3.29Å; L17-T21 PolarHBondContact O-N 3Å; L17-T21 VanDerWaalsContact O-N 3.12Å; L17-T21 PolarHBondContact O-OG1 3.07Å; L18-T21 PolarHBondContact O-OG1 2.64Å; F19-T21 PolarHBondContact O-N 2.95Å
22	I	65.9	Low	56.4	Low	117 Å²	117	125 Å²	125	60%	0.6	67%	0.668	S	S	*	*	H	α-helix	trans	-73.2	-29.5	175.9	-71.1	169.3	0	0	0	112.4	L18 F19 Y20	L18-I22 HydrophobicContact CD2-CD1 4.19Å; L18-I22 WeakPolarHBondContact O-CD1 3.41Å; L18-I22 VanDerWaalsContact O-CG1 3.25Å; L18-I22 WeakPolarHBondContact O-CG1 3.31Å; L18-I22 PolarHBondContact O-N 2.89Å; F19-I22 PolarHBondContact O-N 3.2Å; Y20-I22 PolarHBondContact O-N 2.04Å
23	F	60.2	Low	55.5	Low	150 Å²	150	124.4 Å²	124.4	66%	0.658	67%	0.674	S	S	*	*	H	α-helix	trans	-103.6	-12.8	-172	-82.9	-88.5	0	0	0	116.1	F19 Y20	F19-F23 HydrophobicContact CD1-CD2 4.17Å; F19-F23 AromaticContact CD1-CE2 3.92Å; F19-F23 HydrophobicContact CD1-CE2 3.92Å; F19-F23 HydrophobicContact CE1-CE2 4.08Å; F19-F23 WeakPolarHBondContact O-CD2 3.41Å; F19-F23 PolarHBondContact O-N 3.47Å; Y20-F23 PolarHBondContact O-N 2.88Å
24	F	58.5	Low	54.6	Low	141 Å²	141	128 Å²	128	62%	0.618	68%	0.683	S	S	*	*			trans	-120.7	24.1	-175.5	-79.7	-80.9	0	0	0	115.5	Y20	Y20-F24 HydrophobicContact CD1-CB 4.28Å; Y20-F24 AromaticContact CD1-CD2 3.84Å; Y20-F24 HydrophobicContact CD1-CD2 3.84Å; Y20-F24 HydrophobicContact CD1-CG 4.32Å; Y20-F24 HydrophobicContact CD2-CD2 4.4Å; Y20-F24 HydrophobicContact CE1-CB 4.16Å; Y20-F24 AromaticContact CE1-CD2 3.54Å; Y20-F24 HydrophobicContact CE1-CD2 3.54Å; Y20-F24 HydrophobicContact CE1-CE2 4.08Å; Y20-F24 AromaticContact CE1-CG 3.89Å; Y20-F24 HydrophobicContact CE1-CG 3.89Å; Y20-F24 HydrophobicContact CE2-CD2 4.14Å; Y20-F24 AromaticContact CE2-CE2 4Å; Y20-F24 HydrophobicContact CE2-CE2 4Å; Y20-F24 HydrophobicContact CG-CD2 4.26Å; Y20-F24 AromaticContact CZ-CD2 3.7Å; Y20-F24 AromaticContact CZ-CE2 3.74Å; Y20-F24 PolarHBondContact O-N 3.24Å
25	A	56.6	Low	54	Low	80 Å²	80	135.5 Å²	135.5	66%	0.661	70%	0.701	S	S	*	*			trans	-70.7	124.1	168.5	0	0	0	0	0	110.6
26	P	50.2	Low	53	Low	127 Å²	127	135.2 Å²	135.2	83%	0.825	70%	0.699	S	S	*	*			trans	-71.6	138.6	-176.1	28.2	-34.4	0	0	0	112.1
27	S	44.3	Very low	52.7	Low	127 Å²	127	138.4 Å²	138.4	89%	0.888	71%	0.707	S	S	*	*			trans	-88.4	115.9	-172.3	56.9	0	0	0	0	113.6
28	S	47.9	Very low	52.3	Low	99 Å²	99	135.7 Å²	135.7	69%	0.692	70%	0.695	S	S	*	*			trans	-127	127.8	167.7	44.5	0	0	0	0	111.5	L30	S28-L30 PolarHBondContact O-N 2.87Å
29	S	44.1	Very low	52.1	Low	122 Å²	122	133.7 Å²	133.7	85%	0.853	68%	0.684	S	S	*	*			trans	35.7	78.4	161.6	59.8	0	0	0	0	118.4
30	L	43.9	Very low	52.1	Low	156 Å²	156	130.6 Å²	130.6	82%	0.817	68%	0.676	S	S	*	*			trans	-135	122.5	161.3	-101.8	169.4	0	0	0	111.5	S28 V32	S28-L30 PolarHBondContact O-N 2.87Å; L30-V32 VanDerWaalsContact C-N 3.26Å; L30-V32 HydrophobicContact CB-CG2 4.25Å; L30-V32 PolarHBondContact O-N 2.77Å
31	H	39.7	Very low	51.9	Low	193 Å²	193	125.7 Å²	125.7	89%	0.894	66%	0.661	S	S	*	*			trans	-79.9	66.9	-175.9	-128.3	-76.8	0	0	0	111.2	T33	H31-T33 PolarHBondContact O-N 3.34Å
32	V	36.1	Very low	51.3	Low	108 Å²	108	124.7 Å²	124.7	66%	0.655	66%	0.655	S	S	*	*			trans	-71.8	96.8	-174.6	-176.7	0	0	0	0	111.3	L30 R34	L30-V32 VanDerWaalsContact C-N 3.26Å; L30-V32 HydrophobicContact CB-CG2 4.25Å; L30-V32 PolarHBondContact O-N 2.77Å; V32-R34 VanDerWaalsContact C-N 3.33Å; V32-R34 HydrophobicContact CG1-CG 4.29Å; V32-R34 PolarHBondContact O-N 2.98Å
33	T	39.1	Very low	50.8	Low	124 Å²	124	121 Å²	121	76%	0.761	64%	0.638	S	S	*	*			trans	-67.5	88.7	166.8	42.9	0	0	0	0	110.1	H31 R35	H31-T33 PolarHBondContact O-N 3.34Å; T33-R35 PolarHBondContact O-N 2.8Å
34	R	40.7	Very low	50.3	Low	227 Å²	227	118.6 Å²	118.6	86%	0.857	64%	0.636	S	S	*	*			trans	-60.3	91.8	177.1	-77.4	-173.9	171.7	-176.9	-1	111	V32 I36	V32-R34 VanDerWaalsContact C-N 3.33Å; V32-R34 HydrophobicContact CG1-CG 4.29Å; V32-R34 PolarHBondContact O-N 2.98Å; R34-I36 PolarHBondContact O-N 3.04Å
35	R	48.3	Very low	49.9	Very low	231 Å²	231	114.1 Å²	114.1	87%	0.872	62%	0.621	S	S	*	*			trans	-59.8	100.8	164.1	-94.2	-174.7	168.8	177.6	-2.7	108.9	T33 R37	T33-R35 PolarHBondContact O-N 2.8Å; R35-R37 PolarHBondContact O-N 2.88Å; R35-R37 VanDerWaalsContact O-N 3.1Å
36	I	47.7	Very low	49.3	Very low	94 Å²	94	114 Å²	114	48%	0.482	62%	0.616	S	S	.	*			trans	-60.2	112.7	165.9	-59.3	176	0	0	0	106.9	R34 I39	R34-I36 PolarHBondContact O-N 3.04Å; I36-I39 HydrophobicContact CG2-CD1 4.23Å; I36-I39 HydrophobicContact CG2-CG1 4.28Å
37	R	56.7	Low	49.5	Very low	222 Å²	222	111.5 Å²	111.5	84%	0.838	60%	0.599	S	S	*	*			trans	-86	148.8	171	-64.2	-176.1	-177.8	-176.4	0.3	108.8	R35 I39	R35-R37 PolarHBondContact O-N 2.88Å; R35-R37 VanDerWaalsContact O-N 3.1Å; R37-I39 PolarHBondContact O-N 3.24Å
38	T	58.7	Low	49.8	Very low	56 Å²	56	109.8 Å²	109.8	34%	0.344	58%	0.579	S	S	.	*			trans	-45.8	112.3	-166.7	-47	0	0	0	0	113.9	M833 E837	T38-M833 HydrophobicContact CG2-CB 3.92Å; T38-E837 PolarHBondContact OG1-OE1 3.12Å; T38-E837 PolarHBondContact OG1-OE2 3.39Å
39	I	63.2	Low	50	Low	59 Å²	59	107.1 Å²	107.1	30%	0.303	56%	0.559	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-83.5	122.5	176.8	-52.1	179.9	0	0	0	108.1	I36 R37 P771 L772 R831 V832	I36-I39 HydrophobicContact CG2-CD1 4.23Å; I36-I39 HydrophobicContact CG2-CG1 4.28Å; R37-I39 PolarHBondContact O-N 3.24Å; I39-P771 HydrophobicContact CD1-CB 4.34Å; I39-L772 HydrophobicContact CB-CD1 4.36Å; I39-L772 HydrophobicContact CG2-CD1 3.9Å; I39-L772 HydrophobicContact CG2-CG 4.42Å; I39-R831 WeakPolarHBondContact O-CA 3.41Å; I39-V832 PolarHBondContact O-N 2.94Å
40	T	61.4	Low	50.1	Low	62 Å²	62	110.3 Å²	110.3	38%	0.38	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.5	129.4	171.6	-63.2	0	0	0	0	109.3	T829 R831	T40-T829 HydrophobicContact CG2-CG2 4.47Å; T40-R831 HydrophobicContact CG2-CG 4.05Å; T40-R831 WeakPolarHBondContact OG1-CD 3.07Å; T40-R831 WeakPolarHBondContact OG1-CG 3.24Å; T40-R831 PolarHBondContact OG1-NE 2.04Å; T40-R831 VanDerWaalsContact OG1-NE 3.1Å
41	V	62	Low	50.5	Low	45 Å²	45	105.3 Å²	105.3	27%	0.273	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	144.4	162.8	179.9	0	0	0	0	107.5	L772 Y774 T829 G830	V41-L772 HydrophobicContact CB-CB 4.3Å; V41-L772 HydrophobicContact CB-CD1 4.39Å; V41-L772 HydrophobicContact CG2-CB 3.9Å; V41-L772 HydrophobicContact CG2-CD1 4.13Å; V41-Y774 VanDerWaalsContact C-OH 3.29Å; V41-Y774 HydrophobicContact CB-CE2 4.46Å; V41-Y774 HydrophobicContact CG1-CE2 3.84Å; V41-Y774 PolarHBondContact O-OH 3.32Å; V41-T829 WeakPolarHBondContact O-CA 3.34Å; V41-G830 PolarHBondContact N-O 3.16Å
42	T	52.9	Low	50.5	Low	78 Å²	78	105.1 Å²	105.1	48%	0.479	52%	0.521	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	130.7	177.3	-52.4	0	0	0	0	109.1	T827 T829	T42-T827 HydrophobicContact CG2-CG2 4.04Å; T42-T829 HydrophobicContact CG2-CG2 3.79Å; T42-T829 VanDerWaalsContact OG1-CG2 3.28Å; T42-T829 WeakPolarHBondContact OG1-CG2 3.2Å
43	T	54.4	Low	50.7	Low	41 Å²	41	104.6 Å²	104.6	25%	0.252	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131.6	173.9	40.1	0	0	0	0	110.9	Y774 I789 V828	T43-Y774 HydrophobicContact CG2-CD2 3.91Å; T43-Y774 HydrophobicContact CG2-CE2 3.55Å; T43-Y774 WeakPolarHBondContact OG1-CE2 3.39Å; T43-Y774 VanDerWaalsContact OG1-CZ 3.29Å; T43-I789 WeakPolarHBondContact OG1-CD1 3.46Å; T43-V828 PolarHBondContact N-O 3.43Å; T43-V828 VanDerWaalsContact N-O 3.15Å; T43-V828 PolarHBondContact O-N 2.74Å; T43-V828 VanDerWaalsContact O-N 3.08Å; T43-V828 PolarHBondContact OG1-O 2.82Å
44	T	49.3	Very low	50.5	Low	99 Å²	99	108 Å²	108	61%	0.607	52%	0.519	S	S	*	.			trans	-87.2	114.4	175.3	46.5	0	0	0	0	109.8	S46 T827	T44-S46 PolarHBondContact O-N 3.12Å; T44-T827 HydrophobicContact CG2-CG2 3.64Å
45	S	50.5	Low	50	Low	46 Å²	46	103.6 Å²	103.6	32%	0.322	51%	0.512	S	S	.	.			trans	-76.1	95.9	163.6	51.4	0	0	0	0	108.9
46	S	45.2	Very low	49.1	Very low	77 Å²	77	102 Å²	102	54%	0.538	51%	0.511	S	S	.	.			trans	-138.9	95	-171.6	60.9	0	0	0	0	113.5	T44	T44-S46 PolarHBondContact O-N 3.12Å
47	T	52.7	Low	48.6	Very low	76 Å²	76	103.8 Å²	103.8	47%	0.466	52%	0.517	S	S	.	.			trans	177.4	112.8	137.6	20.7	0	0	0	0	108.4
48	D	51.2	Low	47.2	Very low	90 Å²	90	98.1 Å²	98.1	48%	0.481	52%	0.518	S	S	.	.			trans	-91	110.4	161.8	174.3	16.2	0	0	0	107	R50	D48-R50 WeakPolarHBondContact OD1-CG 3.45Å; D48-R50 IonicContact OD2-CZ 3.67Å; D48-R50 IonicContact OD2-NE 3.54Å; D48-R50 PolarHBondContact OD2-NE 3.21Å; D48-R50 IonicContact OD2-NH2 3.91Å; D48-R50 PolarHBondContact OD2-NH2 2.99Å
49	V	51.4	Low	46.3	Very low	44 Å²	44	102.2 Å²	102.2	27%	0.267	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	98.7	170.2	172.2	0	0	0	0	108.7	F729	V49-F729 HydrophobicContact CB-CD2 4.27Å; V49-F729 HydrophobicContact CB-CE2 3.83Å; V49-F729 HydrophobicContact CB-CZ 4.28Å; V49-F729 HydrophobicContact CG2-CD2 3.93Å; V49-F729 HydrophobicContact CG2-CE2 3.31Å; V49-F729 HydrophobicContact CG2-CZ 4.06Å
50	R	46.5	Very low	45	Very low	188 Å²	188	109.8 Å²	109.8	71%	0.709	55%	0.553	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-81.9	116.9	166.9	-56.9	-174.8	-176	-162.8	-2.8	109.2	D48 K52 T784	D48-R50 WeakPolarHBondContact OD1-CG 3.45Å; D48-R50 IonicContact OD2-CZ 3.67Å; D48-R50 IonicContact OD2-NE 3.54Å; D48-R50 PolarHBondContact OD2-NE 3.21Å; D48-R50 IonicContact OD2-NH2 3.91Å; D48-R50 PolarHBondContact OD2-NH2 2.99Å; R50-K52 PolarHBondContact O-N 2.81Å; R50-K52 VanDerWaalsContact O-N 3.12Å; R50-T784 HydrophobicContact CG-CG2 4.23Å
51	Q	52.5	Low	43.9	Very low	51 Å²	51	112.8 Å²	112.8	24%	0.238	57%	0.571	C	S	.	*			trans	-64.6	113	167.7	-69.7	-167.6	-42.7	0	0	109.8	N53 S742 L744 E782 S783	Q51-N53 PolarHBondContact O-N 2.79Å; Q51-S742 PolarHBondContact NE2-O 2.95Å; Q51-L744 HydrophobicContact CG-CD1 4.1Å; Q51-E782 PolarHBondContact OE1-O 2.95Å; Q51-S783 PolarHBondContact N-O 3.21Å
52	K	40.9	Very low	42.7	Very low	189 Å²	189	115.7 Å²	115.7	82%	0.822	59%	0.585	S	S	*	*			trans	-72	86.1	162.3	-78.7	-166.8	176.4	-174	0	108.4	R50 F54	R50-K52 PolarHBondContact O-N 2.81Å; R50-K52 VanDerWaalsContact O-N 3.12Å; K52-F54 PolarHBondContact O-N 3.11Å
53	N	40.5	Very low	42.1	Very low	97 Å²	97	117.5 Å²	117.5	52%	0.519	59%	0.588	S	S	.	*			trans	-65.1	90.5	176.8	-77.8	-12.8	0	0	0	110.8	Q51 I55	Q51-N53 PolarHBondContact O-N 2.79Å; N53-I55 HydrophobicContact CB-CD1 4.04Å; N53-I55 HydrophobicContact CB-CG1 4.13Å; N53-I55 PolarHBondContact O-N 3.4Å
54	F	33.1	Very low	41.2	Very low	195 Å²	195	119.1 Å²	119.1	86%	0.855	60%	0.598	S	S	*	*			trans	-71	63.9	167.9	-99.4	-86	0	0	0	110.7	K52 K56	K52-F54 PolarHBondContact O-N 3.11Å; F54-K56 PolarHBondContact O-N 2.9Å
55	I	31.8	Very low	40.6	Very low	136 Å²	136	118.2 Å²	118.2	70%	0.697	60%	0.596	S	S	*	*			trans	-93.2	84.3	174.2	-59.1	172.8	0	0	0	107.5	N53	N53-I55 HydrophobicContact CB-CD1 4.04Å; N53-I55 HydrophobicContact CB-CG1 4.13Å; N53-I55 PolarHBondContact O-N 3.4Å
56	K	29.6	Very low	39.7	Very low	196 Å²	196	121.5 Å²	121.5	85%	0.852	62%	0.618	S	S	*	*			trans	-144.1	30.5	169.8	-143.6	-179.9	-177.5	-178	0	114.7	F54	F54-K56 PolarHBondContact O-N 2.9Å
57	E	35.3	Very low	39.1	Very low	132 Å²	132	128.6 Å²	128.6	62%	0.617	63%	0.634	S	S	*	*			trans	-112.9	109.8	166.5	-64.4	-169.6	118.8	0	0	109.9	Y59	E57-Y59 VanDerWaalsContact C-N 3.31Å; E57-Y59 HydrophobicContact CB-CD2 3.85Å; E57-Y59 HydrophobicContact CB-CE2 3.6Å; E57-Y59 HydrophobicContact CG-CE2 4.27Å; E57-Y59 PolarHBondContact O-N 3.1Å; E57-Y59 VanDerWaalsContact O-N 3.12Å; E57-Y59 PolarHBondContact OE1-OH 2.66Å
58	A	27.8	Very low	38	Very low	104 Å²	104	133.6 Å²	133.6	86%	0.86	65%	0.645	S	S	*	*			trans	-88	64.5	-175.8	0	0	0	0	0	111.4	R60	A58-R60 PolarHBondContact O-N 3.1Å
59	Y	40.4	Very low	37.1	Very low	141 Å²	141	136.7 Å²	136.7	55%	0.553	65%	0.65	S	S	*	*			trans	-69.5	99.5	178.9	-73.7	-62.6	0	0	0	112.1	E57	E57-Y59 VanDerWaalsContact C-N 3.31Å; E57-Y59 HydrophobicContact CB-CD2 3.85Å; E57-Y59 HydrophobicContact CB-CE2 3.6Å; E57-Y59 HydrophobicContact CG-CE2 4.27Å; E57-Y59 PolarHBondContact O-N 3.1Å; E57-Y59 VanDerWaalsContact O-N 3.12Å; E57-Y59 PolarHBondContact OE1-OH 2.66Å
60	R	35.6	Very low	36.1	Very low	219 Å²	219	141.2 Å²	141.2	83%	0.826	68%	0.678	S	S	*	*			trans	-66.6	130.7	160.2	-74	-177.4	174.4	166.5	-0.5	109.4	A58 N62	A58-R60 PolarHBondContact O-N 3.1Å; R60-N62 VanDerWaalsContact C-N 3.28Å; R60-N62 WeakPolarHBondContact CB-OD1 3.31Å; R60-N62 PolarHBondContact O-N 3.19Å
61	T	37.9	Very low	35.6	Very low	124 Å²	124	139.5 Å²	139.5	76%	0.761	69%	0.688	S	S	*	*			trans	-67.8	88.1	163.1	47.4	0	0	0	0	109	E63	T61-E63 PolarHBondContact O-N 2.95Å
62	N	37.5	Very low	34.8	Very low	106 Å²	106	141 Å²	141	57%	0.567	72%	0.717	S	S	*	*			trans	-74.9	78.5	174.3	-72.3	-7.3	0	0	0	109.7	R60 V64	R60-N62 VanDerWaalsContact C-N 3.28Å; R60-N62 WeakPolarHBondContact CB-OD1 3.31Å; R60-N62 PolarHBondContact O-N 3.19Å; N62-V64 PolarHBondContact O-N 3.1Å
63	E	40	Very low	34.6	Very low	116 Å²	116	137 Å²	137	54%	0.542	71%	0.713	S	S	.	*			trans	-67.2	108.7	162.8	-67.8	-167.4	136.2	0	0	108.5	T61 S65 R704	T61-E63 PolarHBondContact O-N 2.95Å; E63-S65 PolarHBondContact O-N 2.91Å; E63-R704 IonicContact OE1-NH1 2.9Å
64	V	36.5	Very low	34.5	Very low	76 Å²	76	143.2 Å²	143.2	46%	0.461	73%	0.731	S	S	.	*			trans	-80.4	75.6	177	-178.3	0	0	0	0	108.9	N62 F655	N62-V64 PolarHBondContact O-N 3.1Å; V64-F655 HydrophobicContact CG2-CD2 4.04Å; V64-F655 HydrophobicContact CG2-CE2 3.68Å
65	S	36.4	Very low	34.6	Very low	79 Å²	79	137.8 Å²	137.8	55%	0.552	73%	0.73	S	S	*	*			trans	-86.1	140.4	151.9	-162.9	0	0	0	0	108.2	E63 R67 D700	E63-S65 PolarHBondContact O-N 2.91Å; S65-R67 PolarHBondContact O-N 3.49Å; S65-D700 PolarHBondContact OG-OD2 2.91Å
66	S	31.7	Very low	34.9	Very low	115 Å²	115	134.8 Å²	134.8	80%	0.804	73%	0.733	S	S	*	*	S	Bend	trans	-85.3	71.2	-149.1	45.1	0	0	0	0	115.4
67	R	31.7	Very low	35.3	Very low	227 Å²	227	136.2 Å²	136.2	86%	0.857	73%	0.733	S	S	*	*			trans	-137.8	101.1	172.4	-61.7	-170.5	-167.6	-170.6	6.1	115.9	S65	S65-R67 PolarHBondContact O-N 3.49Å
68	Y	30.3	Very low	35.5	Very low	181 Å²	181	139.4 Å²	139.4	71%	0.71	75%	0.745	S	S	*	*			trans	67.5	141	139.5	-80.8	-65.7	0	0	0	125.2	F96	Y68-F96 HydrophobicContact CD1-CD1 4.44Å; Y68-F96 AromaticContact CE1-CD1 3.6Å; Y68-F96 HydrophobicContact CE1-CD1 3.6Å; Y68-F96 AromaticContact CE1-CE1 3.49Å; Y68-F96 HydrophobicContact CE1-CE1 3.49Å; Y68-F96 VanDerWaalsContact CE1-CE1 3.49Å; Y68-F96 HydrophobicContact CE1-CZ 4.29Å; Y68-F96 AromaticContact CZ-CE1 3.97Å
69	R	32.2	Very low	36.1	Very low	155 Å²	155	138 Å²	138	59%	0.585	74%	0.74	S	S	*	*			trans	81.4	131.6	155.2	-73.2	-179.6	-170.4	158.8	9.3	120.9	F96 N97	R69-F96 PolarHBondContact NE-O 3.38Å; R69-F96 PolarHBondContact NH2-O 3.35Å; R69-N97 PolarHBondContact NH1-OD1 3.49Å; R69-N97 PolarHBondContact NH2-OD1 2.99Å
70	T	30.6	Very low	36.2	Very low	138 Å²	138	135 Å²	135	85%	0.847	75%	0.752	S	S	*	*			trans	-143.6	137.3	170.8	41.6	0	0	0	0	110.8
71	T	35.8	Very low	36.4	Very low	152 Å²	152	133.1 Å²	133.1	93%	0.933	76%	0.757	S	S	*	*			trans	-165.6	140.3	165.4	43.8	0	0	0	0	105.2
72	G	35.5	Very low	36.4	Very low	82 Å²	82	130.6 Å²	130.6	85%	0.845	76%	0.755	S	S	*	*			cis	-177.8	-174.2	-4.4	0	0	0	0	0	105.6
73	S	36.1	Very low	36.5	Very low	105 Å²	105	129.1 Å²	129.1	73%	0.734	77%	0.766	S	S	*	*			cis	-166.2	-174.8	-14.2	-169.1	0	0	0	0	107.5
74	Y	38.1	Very low	36.4	Very low	228 Å²	228	128 Å²	128	89%	0.894	78%	0.776	S	S	*	*			trans	73	143.4	174.4	-54.5	-82.7	0	0	0	118.2
75	G	36	Very low	36.4	Very low	81 Å²	81	133.6 Å²	133.6	84%	0.835	80%	0.797	S	S	*	*			cis	167.2	146.5	-12.1	0	0	0	0	0	115.9
76	G	37.2	Very low	36.4	Very low	73 Å²	73	133.7 Å²	133.7	75%	0.753	81%	0.81	S	S	*	*			trans	130.7	114.1	173.8	0	0	0	0	0	113
77	R	38.7	Very low	36.1	Very low	227 Å²	227	131.6 Å²	131.6	86%	0.857	81%	0.807	S	S	*	*				63.7	132.4	73.6	-74.1	-169.3	173.4	-179.7	-1.4	113.6
78	F	38.9	Very low	36.2	Very low	198 Å²	198	128.9 Å²	128.9	87%	0.868	81%	0.807	S	S	*	*			cis	-134.8	173.9	16	-69.2	-104.6	0	0	0	111.1
79	G	41	Very low	36	Very low	74 Å²	74	127.2 Å²	127.2	76%	0.763	81%	0.811	S	S	*	*			cis	164.4	153.4	-8.6	0	0	0	0	0	113.8
80	G	41.7	Very low	36.1	Very low	78 Å²	78	127.4 Å²	127.4	80%	0.804	82%	0.823	S	S	*	*			trans	80.1	153.4	174.9	0	0	0	0	0	115.9
81	I	40.7	Very low	35.9	Very low	181 Å²	181	125 Å²	125	93%	0.928	81%	0.811	S	S	*	*			cis	-156.3	150.9	-7.3	-53.3	-179	0	0	0	105.4
82	G	38.7	Very low	35.5	Very low	70 Å²	70	126.9 Å²	126.9	72%	0.722	80%	0.803	S	S	*	*			cis	163.2	162.7	-4.3	0	0	0	0	0	111
83	G	38.2	Very low	35.1	Very low	76 Å²	76	131.1 Å²	131.1	78%	0.784	80%	0.8	S	S	*	*			trans	100.2	115.3	-174.8	0	0	0	0	0	112.5
84	A	38.7	Very low	34.8	Very low	93 Å²	93	132.5 Å²	132.5	77%	0.769	80%	0.8	S	S	*	*				93.3	126.2	68.7	0	0	0	0	0	111.8
85	H	36	Very low	34.4	Very low	193 Å²	193	128.9 Å²	128.9	89%	0.894	80%	0.795	S	S	*	*			cis	-159.1	141.5	-5.4	-124.8	-74.8	0	0	0	111.1
86	G	35.8	Very low	34.1	Very low	80 Å²	80	132.2 Å²	132.2	83%	0.825	79%	0.787	S	S	*	*			trans	78.4	149.2	171.9	0	0	0	0	0	115.8
87	G	27.2	Very low	33.9	Very low	72 Å²	72	133.9 Å²	133.9	74%	0.742	78%	0.778	S	S	*	*			cis	173.4	172.2	-4.6	0	0	0	0	0	111.1
88	I	33.4	Very low	33.6	Very low	169 Å²	169	131 Å²	131	87%	0.867	78%	0.78	S	S	*	*			trans	74.1	79.2	176.9	-46.2	175.7	0	0	0	115.1
89	D	26.1	Very low	33.5	Very low	146 Å²	146	127.8 Å²	127.8	78%	0.781	77%	0.772	S	S	*	*				12.8	130.7	120.8	-163.4	11.9	0	0	0	119.5
90	L	32.7	Very low	33	Very low	159 Å²	159	128.4 Å²	128.4	83%	0.832	77%	0.77	S	S	*	*			trans	-165.2	152.7	146.8	-111.7	173.2	0	0	0	111.7
91	S	27	Very low	32.8	Very low	87 Å²	87	132.4 Å²	132.4	61%	0.608	77%	0.767	S	S	*	*			trans	-102.9	-154.4	-172.6	62.6	0	0	0	0	113.5
92	Y	28.4	Very low	32.4	Very low	193 Å²	193	129.9 Å²	129.9	76%	0.757	75%	0.752	S	S	*	*			trans	75	119.8	-170.9	-64.1	-88.8	0	0	0	114.1
93	E	27	Very low	32.1	Very low	170 Å²	170	133.8 Å²	133.8	79%	0.794	75%	0.749	S	S	*	*			cis	66.6	139.1	35.7	-56.9	-153.5	131.8	0	0	115.9
94	N	29.8	Very low	31.9	Very low	135 Å²	135	136.9 Å²	136.9	72%	0.722	75%	0.747	S	S	*	*			trans	69	112	178.7	-54.2	-53.3	0	0	0	117.3
95	L	29.5	Very low	31.6	Very low	152 Å²	152	139.3 Å²	139.3	80%	0.796	75%	0.746	S	S	*	*				169.4	71.2	113.5	-89.1	169.2	0	0	0	112.5
96	F	28.6	Very low	31.4	Very low	151 Å²	151	136.4 Å²	136.4	66%	0.662	74%	0.735	S	S	*	*	S	Bend	trans	-151.1	45.7	159.1	-87.8	-48.6	0	0	0	112.1	Y68 R69	Y68-F96 HydrophobicContact CD1-CD1 4.44Å; Y68-F96 AromaticContact CE1-CD1 3.6Å; Y68-F96 HydrophobicContact CE1-CD1 3.6Å; Y68-F96 AromaticContact CE1-CE1 3.49Å; Y68-F96 HydrophobicContact CE1-CE1 3.49Å; Y68-F96 VanDerWaalsContact CE1-CE1 3.49Å; Y68-F96 HydrophobicContact CE1-CZ 4.29Å; Y68-F96 AromaticContact CZ-CE1 3.97Å; R69-F96 PolarHBondContact NE-O 3.38Å; R69-F96 PolarHBondContact NH2-O 3.35Å
97	N	34.1	Very low	31.2	Very low	107 Å²	107	140 Å²	140	57%	0.572	73%	0.731	S	S	*	*			trans	-155.7	67.7	178.8	-152.1	22.1	0	0	0	116.2	R69 N99	R69-N97 PolarHBondContact NH1-OD1 3.49Å; R69-N97 PolarHBondContact NH2-OD1 2.99Å; N97-N99 PolarHBondContact O-N 3.39Å
98	D	32.8	Very low	31.5	Very low	168 Å²	168	143.2 Å²	143.2	90%	0.898	73%	0.727	S	S	*	*			trans	-76.3	105.6	157.9	-69.6	-28.7	0	0	0	108.8
99	N	36	Very low	31.4	Very low	130 Å²	130	139.9 Å²	139.9	70%	0.695	71%	0.714	S	S	*	*			trans	-145.3	139.4	-175.6	-140.6	-1.3	0	0	0	109.9	N97	N97-N99 PolarHBondContact O-N 3.39Å
100	A	31.4	Very low	31.5	Very low	87 Å²	87	143.1 Å²	143.1	72%	0.719	72%	0.717	S	S	*	*			trans	-85.5	145	-163.5	0	0	0	0	0	114.9
101	H	35.9	Very low	31.5	Very low	161 Å²	161	145.8 Å²	145.8	75%	0.745	72%	0.716	S	S	*	*			trans	-146	126.6	145.9	-104.9	-99.7	0	0	0	107.2
102	Q	33.3	Very low	31.6	Very low	128 Å²	128	146 Å²	146	60%	0.598	72%	0.717	S	S	*	*				59.5	134	83.7	-63.4	-169.9	46.1	0	0	113.5
103	K	31.8	Very low	31.9	Very low	152 Å²	152	143.9 Å²	143.9	66%	0.661	72%	0.719	S	S	*	*			cis	-169.7	146.8	6.3	-121.5	174.2	-175.4	151.9	0	111.6
104	N	33.5	Very low	32.1	Very low	141 Å²	141	143 Å²	143	75%	0.754	72%	0.715	S	S	*	*			trans	63.1	163.4	159	-47.3	-14.3	0	0	0	114.4
105	I	32.8	Very low	32.4	Very low	144 Å²	144	144.7 Å²	144.7	74%	0.738	72%	0.722	S	S	*	*			cis	-147.4	132.4	28.7	-91.4	-173.3	0	0	0	110.5
106	I	32.2	Very low	32.7	Very low	132 Å²	132	143.4 Å²	143.4	68%	0.677	72%	0.716	S	S	*	*			trans	59.4	123	141.1	-65.6	-179.6	0	0	0	122.1
107	Q	31.2	Very low	33	Very low	156 Å²	156	139.5 Å²	139.5	73%	0.729	72%	0.718	S	S	*	*			trans	51.3	148.4	142.2	-58.8	-175.5	-82	0	0	121
108	E	33.8	Very low	33	Very low	140 Å²	140	146.1 Å²	146.1	65%	0.654	74%	0.735	S	S	*	*			cis	-166.2	-162.3	-16.3	-118.7	167.8	-109.5	0	0	107.6
109	T	32.1	Very low	33.1	Very low	98 Å²	98	147.2 Å²	147.2	60%	0.601	74%	0.735	S	S	*	*			cis	-162.6	127.8	7.1	5.7	0	0	0	0	109
110	Y	28.5	Very low	33.1	Very low	214 Å²	214	144.8 Å²	144.8	84%	0.839	74%	0.741	S	S	*	*			trans	54.7	166.6	160.5	-68	-85.3	0	0	0	119.2
111	R	31.2	Very low	33.2	Very low	216 Å²	216	147.4 Å²	147.4	82%	0.815	74%	0.743	S	S	*	*			cis	-141.6	149.3	2.9	-125.9	169.6	176.6	124.8	-3	106.7
112	S	29.7	Very low	33.3	Very low	91 Å²	91	146 Å²	146	64%	0.636	75%	0.746	S	S	*	*				47.3	136	90.7	-136.6	0	0	0	0	114.2
113	D	33.9	Very low	33.3	Very low	148 Å²	148	143.6 Å²	143.6	79%	0.791	76%	0.755	S	S	*	*			cis	-142.5	173.7	44.7	-73	-48.4	0	0	0	117.1
114	E	31.5	Very low	33.3	Very low	152 Å²	152	141 Å²	141	71%	0.71	76%	0.756	S	S	*	*			trans	-93.1	165.5	-177.8	-46.7	179.2	146.4	0	0	114.2	N116	E114-N116 PolarHBondContact OE2-ND2 3.29Å
115	I	36.2	Very low	33.5	Very low	171 Å²	171	142.8 Å²	142.8	88%	0.877	76%	0.76	S	S	*	*			trans	-168.6	153.8	134.5	-95.4	144.9	0	0	0	108.8
116	N	36.8	Very low	33.5	Very low	124 Å²	124	139.5 Å²	139.5	66%	0.663	76%	0.761	S	S	*	*				-177.4	125	-60.9	-120.8	-60.6	0	0	0	107.6	E114	E114-N116 PolarHBondContact OE2-ND2 3.29Å
117	G	34.7	Very low	33.5	Very low	69 Å²	69	136.8 Å²	136.8	71%	0.711	77%	0.765	S	S	*	*			trans	91.9	157.5	165.5	0	0	0	0	0	118.2
118	R	34.6	Very low	33.6	Very low	246 Å²	246	139.5 Å²	139.5	93%	0.928	77%	0.769	S	S	*	*			cis	-158.1	167.9	-7.6	-133.1	175.8	-171.3	175.2	3.2	112.5
119	H	33.8	Very low	33.5	Very low	191 Å²	191	141.5 Å²	141.5	88%	0.884	77%	0.772	S	S	*	*			trans	-72.9	157.3	-167.9	-57.3	-83.4	0	0	0	117.3
120	G	36.1	Very low	33.6	Very low	80 Å²	80	142 Å²	142	83%	0.825	78%	0.775	S	S	*	*			trans	-155.8	123.9	147.4	0	0	0	0	0	110.6
121	N	34.3	Very low	33.8	Very low	141 Å²	141	138.4 Å²	138.4	75%	0.754	77%	0.77	S	S	*	*			trans	-159.4	104.7	-175	-178.2	6.6	0	0	0	114.2
122	T	36.5	Very low	34.1	Very low	133 Å²	133	136.3 Å²	136.3	82%	0.816	77%	0.774	S	S	*	*			trans	-169.2	153.8	166.6	30.6	0	0	0	0	107.7
123	G	34.4	Very low	34.3	Very low	77 Å²	77	135 Å²	135	79%	0.794	78%	0.775	S	S	*	*			cis	179.6	164.6	-0.6	0	0	0	0	0	109.3
124	S	32.5	Very low	34.6	Very low	97 Å²	97	139.4 Å²	139.4	68%	0.678	78%	0.78	S	S	*	*			trans	-131.2	131.2	-168.9	174.1	0	0	0	0	113.6
125	H	37.7	Very low	35	Very low	179 Å²	179	137 Å²	137	83%	0.829	78%	0.775	S	S	*	*			trans	-165.6	161.6	159.8	-78.8	-66.4	0	0	0	109.1
126	G	32.5	Very low	35.3	Very low	74 Å²	74	136 Å²	136	76%	0.763	77%	0.767	S	S	*	*			cis	157.2	133.7	-10.8	0	0	0	0	0	114.1
127	G	32.5	Very low	35.6	Very low	75 Å²	75	136.4 Å²	136.4	77%	0.773	77%	0.769	S	S	*	*			trans	93	168.6	172.7	0	0	0	0	0	116.2
128	R	32.2	Very low	35.8	Very low	213 Å²	213	139.4 Å²	139.4	80%	0.804	77%	0.769	S	S	*	*			cis	-170.2	144	-3.4	-124.5	179.6	176	-179.2	-1.3	111.9
129	Y	32	Very low	36	Very low	183 Å²	183	133.8 Å²	133.8	72%	0.718	76%	0.762	S	S	*	*			trans	61.1	163.4	159	-69	-64	0	0	0	119.3
130	T	34.2	Very low	36.1	Very low	109 Å²	109	131.7 Å²	131.7	67%	0.669	75%	0.753	S	S	*	*			cis	-151.7	141.9	7.2	-3.6	0	0	0	0	112.8
131	D	33.1	Very low	36.1	Very low	137 Å²	137	133.9 Å²	133.9	73%	0.733	75%	0.745	S	S	*	*			trans	62.1	160.7	136.2	-60.2	-2.2	0	0	0	127.1
132	I	36.6	Very low	36	Very low	173 Å²	173	133.3 Å²	133.3	89%	0.887	74%	0.742	S	S	*	*			trans	75.5	119.6	165.5	-38.3	-178.2	0	0	0	117.4
133	G	34.4	Very low	36	Very low	64 Å²	64	137.9 Å²	137.9	66%	0.66	75%	0.746	S	S	*	*			cis	156.2	161.8	-12.6	0	0	0	0	0	115
134	R	39.5	Very low	36.1	Very low	240 Å²	240	137.7 Å²	137.7	91%	0.906	74%	0.744	S	S	*	*			trans	72.8	149.8	161.8	-65.4	-166.8	174	169.9	-0.1	117.8
135	T	40.4	Very low	36	Very low	100 Å²	100	138.3 Å²	138.3	61%	0.613	75%	0.748	S	S	*	*			cis	-166.9	161.6	3.1	9.8	0	0	0	0	114.5
136	H	42.5	Very low	35.8	Very low	152 Å²	152	136.4 Å²	136.4	70%	0.704	74%	0.743	S	S	*	*			trans	66.6	145.4	147.1	-72.1	-58	0	0	0	120.1
137	D	42.4	Very low	35.7	Very low	131 Å²	131	142.5 Å²	142.5	70%	0.701	75%	0.748	S	S	*	*			cis	-145.1	141.3	4.3	-91.7	-41.3	0	0	0	115.1
138	D	40.5	Very low	35.7	Very low	132 Å²	132	142 Å²	142	71%	0.706	74%	0.743	S	S	*	*			trans	7	155	140.1	-51.4	-12.8	0	0	0	122.2
139	T	38.2	Very low	35.8	Very low	129 Å²	129	138 Å²	138	79%	0.791	75%	0.748	S	S	*	*			cis	-163.7	165.3	48.6	7.7	0	0	0	0	110
140	E	36.3	Very low	35.9	Very low	146 Å²	146	133.7 Å²	133.7	68%	0.682	75%	0.75	S	S	*	*			cis	74.3	126	14.5	-72.5	-68.9	69.6	0	0	118.3
141	L	35.3	Very low	36.1	Very low	126 Å²	126	133.8 Å²	133.8	66%	0.66	75%	0.752	S	S	*	*			cis	-140.2	166.3	4.6	-80.2	156.7	0	0	0	108.2
142	N	32.3	Very low	36.2	Very low	129 Å²	129	137.7 Å²	137.7	69%	0.69	76%	0.757	S	S	*	*			cis	96.7	85.4	15.4	-169.3	18.3	0	0	0	117.6
143	Y	37.1	Very low	36.1	Very low	230 Å²	230	135.9 Å²	135.9	90%	0.902	75%	0.745	S	S	*	*			trans	-161.1	155.2	167.6	-93.2	-80.5	0	0	0	109.1
144	G	35.3	Very low	36.2	Very low	73 Å²	73	141.3 Å²	141.3	75%	0.753	75%	0.75	S	S	*	*			cis	-168.7	166.5	-4	0	0	0	0	0	110.6
145	S	32.1	Very low	35.9	Very low	110 Å²	110	134.3 Å²	134.3	77%	0.769	74%	0.738	S	S	*	*			trans	-107.6	167.5	-174	59.8	0	0	0	0	113.4
146	I	33	Very low	35.7	Very low	139 Å²	139	137.8 Å²	137.8	71%	0.713	75%	0.747	S	S	*	*			trans	163.6	123.1	135.3	-89.2	160.8	0	0	0	114
147	F	30.6	Very low	35.1	Very low	202 Å²	202	136.3 Å²	136.3	89%	0.886	75%	0.749	S	S	*	*			trans	53.7	160.1	149.7	-67.5	-131.6	0	0	0	118.9
148	G	31.1	Very low	34.7	Very low	63 Å²	63	138.5 Å²	138.5	65%	0.649	75%	0.752	S	S	*	*			cis	167.2	131.5	-7.7	0	0	0	0	0	108.3
149	S	35	Very low	34.3	Very low	130 Å²	130	140.2 Å²	140.2	91%	0.909	76%	0.756	S	S	*	*				168.9	161.7	97	-67.6	0	0	0	0	111.1
150	A	33.6	Very low	34	Very low	92 Å²	92	139.1 Å²	139.1	76%	0.76	75%	0.754	S	S	*	*			trans	-100.8	-174.4	164.6	0	0	0	0	0	109.4
151	P	39.9	Very low	33.7	Very low	111 Å²	111	142.6 Å²	142.6	72%	0.721	76%	0.762	S	S	*	*			cis	-149.1	176.3	10.9	45	-24.7	0	0	0	119.5
152	R	34.6	Very low	33.7	Very low	220 Å²	220	148.3 Å²	148.3	83%	0.83	78%	0.775	S	S	*	*			trans	58.1	124.2	139.3	-81.3	179.8	172.6	-178.7	-1.5	124.2
153	Q	34.8	Very low	33.6	Very low	135 Å²	135	147 Å²	147	63%	0.631	78%	0.775	S	S	*	*				92.7	136.6	125	-84.9	-163.8	5.5	0	0	123.3
154	K	36.3	Very low	33.4	Very low	177 Å²	177	146.6 Å²	146.6	77%	0.77	77%	0.774	S	S	*	*			trans	69.2	152.9	152.6	-69.7	161.1	176.7	160.4	0	117.8
155	S	32.9	Very low	33.4	Very low	93 Å²	93	151.8 Å²	151.8	65%	0.65	78%	0.779	S	S	*	*			cis	-170.4	159.2	-28.1	51.5	0	0	0	0	111.3
156	Q	35.2	Very low	33.7	Very low	173 Å²	173	154.3 Å²	154.3	81%	0.808	78%	0.782	S	S	*	*			trans	68.7	110.7	154.6	-76	-179.5	-2.5	0	0	121.6
157	T	30.6	Very low	33.9	Very low	121 Å²	121	154.2 Å²	154.2	74%	0.742	78%	0.782	S	S	*	*				36.4	118.8	128.9	57.9	0	0	0	0	122.1
158	K	34.7	Very low	34.1	Very low	178 Å²	178	151.9 Å²	151.9	77%	0.774	77%	0.774	S	S	*	*				-178.9	126.5	111.1	-99.4	179.3	177	177.5	0	110.7
159	Q	32.2	Very low	34.3	Very low	168 Å²	168	160.3 Å²	160.3	79%	0.785	79%	0.787	S	S	*	*				74.4	140.2	98.5	-76.1	-174.9	-55.9	0	0	117.7
160	S	32	Very low	34.2	Very low	106 Å²	106	164 Å²	164	74%	0.741	78%	0.781	S	S	*	*			trans	87	111.3	156.1	-160.7	0	0	0	0	120.9
161	Y	29.2	Very low	34.8	Very low	219 Å²	219	168 Å²	168	86%	0.859	78%	0.784	S	S	*	*			trans	0.7	135.2	140.1	-63.5	-93.6	0	0	0	119.5
162	R	34.8	Very low	34.6	Very low	246 Å²	246	170 Å²	170	93%	0.928	79%	0.788	S	S	*	*				-154.4	154.4	103.5	-111	176.6	-175.8	-169.6	0.8	113.1
163	S	30.6	Very low	35	Very low	100 Å²	100	167.5 Å²	167.5	70%	0.699	79%	0.789	S	S	*	*			trans	-87.6	152.1	178.5	49.8	0	0	0	0	112.3
164	Y	34.1	Very low	34.9	Very low	223 Å²	223	164.7 Å²	164.7	88%	0.875	80%	0.797	S	S	*	*			trans	-138	121.2	151.9	-103.8	-83.4	0	0	0	109.6
165	E	34.6	Very low	35	Very low	182 Å²	182	160 Å²	160	85%	0.85	80%	0.799	S	S	*	*			trans	-86.7	141	161.7	-64.8	-179.8	122	0	0	108.3
166	I	38.7	Very low	35.1	Very low	162 Å²	162	167 Å²	167	83%	0.831	81%	0.813	S	S	*	*			trans	-126.7	139.2	163.1	-66.7	-176	0	0	0	107.8
167	N	36.6	Very low	34.9	Very low	137 Å²	137	163.4 Å²	163.4	73%	0.733	81%	0.812	S	S	*	*			trans	-86	162.2	-160.5	-114.9	-56.3	0	0	0	115
168	Q	33.9	Very low	35.2	Very low	153 Å²	153	167.2 Å²	167.2	72%	0.715	82%	0.819	S	S	*	*			trans	-48.8	150.4	177.9	-51	165.4	27.4	0	0	114.3
169	R	35.5	Very low	35.2	Very low	241 Å²	241	168.1 Å²	168.1	91%	0.909	82%	0.817	S	S	*	*				-130.5	141.9	129	-78.7	-161.9	173	-158.8	-0.6	110.6
170	R	33.4	Very low	35.3	Very low	207 Å²	207	166 Å²	166	78%	0.781	80%	0.803	S	S	*	*			trans	-97.5	149.2	165.1	-67.4	173	170	172.7	-4.9	108.2
171	E	47.3	Very low	35.5	Very low	177 Å²	177	164.4 Å²	164.4	83%	0.827	80%	0.803	S	S	*	*			trans	-130.2	139.3	145	-67.5	-164.8	164	0	0	109.7
172	N	34.7	Very low	35.8	Very low	151 Å²	151	158.4 Å²	158.4	81%	0.807	79%	0.793	S	S	*	*			trans	-113.8	120.8	177.4	-92.1	-16.2	0	0	0	107.6
173	I	42.8	Very low	35.9	Very low	168 Å²	168	152.4 Å²	152.4	86%	0.862	78%	0.784	S	S	*	*			trans	-135.1	129.4	158	-55	-178.5	0	0	0	107.6
174	G	33.7	Very low	36.4	Very low	77 Å²	77	156.3 Å²	156.3	79%	0.794	79%	0.791	S	S	*	*			trans	-107.6	150.7	177	0	0	0	0	0	111.8
175	G	37.1	Very low	36.6	Very low	78 Å²	78	155.2 Å²	155.2	80%	0.804	79%	0.794	S	S	*	*			trans	-144.6	131.5	-178.6	0	0	0	0	0	112.5
176	Y	36.3	Very low	36.6	Very low	240 Å²	240	149.9 Å²	149.9	94%	0.941	79%	0.788	S	S	*	*			trans	-59.6	150.3	-173.8	-78.4	-102.5	0	0	0	115.4
177	A	29.9	Very low	36.4	Very low	97 Å²	97	151.6 Å²	151.6	80%	0.802	79%	0.792	S	S	*	*			trans	-86.9	149.1	169.8	0	0	0	0	0	112.9
178	K	37.3	Very low	36.3	Very low	202 Å²	202	152.8 Å²	152.8	88%	0.878	80%	0.798	S	S	*	*			trans	-155.3	177	164.4	-118.2	176.1	-175.2	-179.8	0	111.9
179	R	35.2	Very low	36.1	Very low	197 Å²	197	150.7 Å²	150.7	74%	0.743	80%	0.8	S	S	*	*			trans	-82.6	153.4	-149.3	-66.9	-179.5	169.2	-179.8	-1.3	117	P265 T266	R179-P265 HydrophobicContact CB-CG 4.13Å; R179-P265 VanDerWaalsContact CD-O 3.22Å; R179-P265 WeakPolarHBondContact CD-O 3.34Å; R179-P265 WeakPolarHBondContact CG-O 3.12Å; R179-T266 VanDerWaalsContact CA-CB 3.49Å; R179-T266 WeakPolarHBondContact CG-OG1 3.43Å
180	Y	32.5	Very low	35.9	Very low	124 Å²	124	143.1 Å²	143.1	49%	0.486	79%	0.79	S	S	.	*			trans	-49.2	167.7	174.9	-91.6	-34.4	0	0	0	110.8	P265 T266 Y267	Y180-P265 HydrophobicContact CD2-CB 3.7Å; Y180-P265 HydrophobicContact CG-CB 4.04Å; Y180-P265 WeakPolarHBondContact O-CG 3.44Å; Y180-T266 HydrophobicContact CD1-CG2 3.78Å; Y180-T266 HydrophobicContact CD2-CG2 3.88Å; Y180-T266 HydrophobicContact CE1-CG2 4.35Å; Y180-T266 HydrophobicContact CE2-CG2 4.34Å; Y180-T266 HydrophobicContact CG-CG2 3.45Å; Y180-T266 VanDerWaalsContact CG-CG2 3.45Å; Y180-Y267 AromaticContact CD1-CD2 3.74Å; Y180-Y267 HydrophobicContact CD1-CD2 3.74Å; Y180-Y267 AromaticContact CD1-CE2 3.82Å; Y180-Y267 HydrophobicContact CD1-CE2 3.82Å; Y180-Y267 AromaticContact CE1-CD2 3.25Å; Y180-Y267 HydrophobicContact CE1-CD2 3.25Å; Y180-Y267 AromaticContact CE1-CE2 3.32Å; Y180-Y267 HydrophobicContact CE1-CE2 3.32Å; Y180-Y267 AromaticContact CZ-CD2 3.69Å
181	G	37.9	Very low	35.6	Very low	71 Å²	71	141.4 Å²	141.4	73%	0.732	79%	0.79	S	S	*	*			trans	-146.9	145.2	145	0	0	0	0	0	108.6
182	S	34.4	Very low	34.8	Very low	93 Å²	93	141.7 Å²	141.7	65%	0.65	79%	0.789	S	S	*	*			trans	-111.3	120.4	-178	59	0	0	0	0	112
183	T	38.2	Very low	34.6	Very low	121 Å²	121	141.5 Å²	141.5	74%	0.742	79%	0.788	S	S	*	*			trans	-169.6	115.7	157.3	23.5	0	0	0	0	105.9
184	E	40.3	Very low	33.9	Very low	182 Å²	182	143.3 Å²	143.3	85%	0.85	79%	0.79	S	S	*	*				96.7	163	86.3	-82.5	179.7	171.1	0	0	112.6
185	E	37.4	Very low	33.9	Very low	199 Å²	199	146.1 Å²	146.1	93%	0.93	79%	0.792	S	S	*	*			trans	-56.2	134.4	-155.5	-55.5	177.8	150.7	0	0	116.1
186	G	36.2	Very low	33.6	Very low	70 Å²	70	145.7 Å²	145.7	72%	0.722	79%	0.787	S	S	*	*			trans	-149.2	128.8	171	0	0	0	0	0	111.7
187	H	34.1	Very low	33.6	Very low	198 Å²	198	141.1 Å²	141.1	92%	0.917	78%	0.779	S	S	*	*			trans	-80.9	130.7	165.4	-82.1	-109.4	0	0	0	108.9
188	D	34.3	Very low	34	Very low	163 Å²	163	146.6 Å²	146.6	87%	0.872	78%	0.779	S	S	*	*			trans	-134.2	123.5	167.3	-96.2	-47	0	0	0	112.4
189	S	28.5	Very low	34.5	Very low	108 Å²	108	144.4 Å²	144.4	76%	0.755	78%	0.777	S	S	*	*			trans	-88.1	119.5	164.9	48.5	0	0	0	0	109.2	E191	S189-E191 PolarHBondContact O-N 3.2Å
190	A	32.1	Very low	34.4	Very low	83 Å²	83	138 Å²	138	69%	0.686	77%	0.772	S	S	*	*			trans	-83.8	98.6	179.3	0	0	0	0	0	111.9	F192	A190-F192 HydrophobicContact CB-CD2 4.3Å; A190-F192 HydrophobicContact CB-CE2 3.78Å
191	E	27.5	Very low	34.5	Very low	171 Å²	171	140.8 Å²	140.8	80%	0.799	79%	0.79	S	S	*	*			trans	-64.5	146.8	155.1	-63.8	-173.7	137.6	0	0	110	S189	S189-E191 PolarHBondContact O-N 3.2Å
192	F	30.5	Very low	34.4	Very low	182 Å²	182	147.7 Å²	147.7	80%	0.798	80%	0.795	S	S	*	*			trans	-127.1	113.1	170.3	-84.3	-84.3	0	0	0	110.4	A190	A190-F192 HydrophobicContact CB-CD2 4.3Å; A190-F192 HydrophobicContact CB-CE2 3.78Å
193	N	30.7	Very low	34.3	Very low	148 Å²	148	153.2 Å²	153.2	79%	0.791	81%	0.807	S	S	*	*			trans	-75.7	142.6	178.8	-76	-71.8	0	0	0	111.9
194	F	27.1	Very low	34	Very low	205 Å²	205	154 Å²	154	90%	0.899	81%	0.806	S	S	*	*			trans	-93.1	144.6	174.5	-84.9	-95.1	0	0	0	112
195	V	35.3	Very low	33.5	Very low	137 Å²	137	152.4 Å²	152.4	83%	0.83	80%	0.804	S	S	*	*			trans	-143.2	124.5	169.9	-178.5	0	0	0	0	109.1
196	G	30.3	Very low	33.4	Very low	69 Å²	69	151.1 Å²	151.1	71%	0.711	80%	0.795	S	S	*	*			trans	-86.6	-178.8	167.6	0	0	0	0	0	111.6
197	D	36.7	Very low	33	Very low	144 Å²	144	153.6 Å²	153.6	77%	0.77	80%	0.798	S	S	*	*			cis	-164	166.1	17.4	-174.1	37.6	0	0	0	106.6
198	R	37.1	Very low	32.8	Very low	211 Å²	211	153.1 Å²	153.1	80%	0.796	79%	0.79	S	S	*	*	S	Bend		-169.7	-27.6	79	-90.8	179.9	175.7	171.8	0.7	116.8	G200	R198-G200 PolarHBondContact O-N 3.46Å; R198-G200 VanDerWaalsContact O-N 3.15Å
199	D	47.5	Very low	32.4	Very low	156 Å²	156	151.6 Å²	151.6	83%	0.834	79%	0.787	S	S	*	*			trans	-94.9	67.2	-165.4	-59	-52.6	0	0	0	112.7	H201	D199-H201 PolarHBondContact O-N 3.15Å
200	G	34.1	Very low	32.2	Very low	63 Å²	63	151.9 Å²	151.9	65%	0.649	78%	0.783	S	S	*	*			trans	-72.7	89.8	-165	0	0	0	0	0	117.5	R198	R198-G200 PolarHBondContact O-N 3.46Å; R198-G200 VanDerWaalsContact O-N 3.15Å
201	H	34.3	Very low	32	Very low	183 Å²	183	154.6 Å²	154.6	85%	0.847	79%	0.786	S	S	*	*			trans	-146.2	106.7	159.2	-84.9	-29.3	0	0	0	113.1	D199	D199-H201 PolarHBondContact O-N 3.15Å
202	Y	35.7	Very low	31.9	Very low	216 Å²	216	152.5 Å²	152.5	85%	0.847	78%	0.78	S	S	*	*			trans	-132.5	128.9	173.6	-71	-81.6	0	0	0	112.7
203	K	32	Very low	31.7	Very low	208 Å²	208	151.3 Å²	151.3	90%	0.904	78%	0.78	S	S	*	*			trans	-100.5	107.5	162.8	-82.9	-176.8	173.9	176.4	0	109.2
204	L	32.3	Very low	31.5	Very low	138 Å²	138	152.1 Å²	152.1	72%	0.723	78%	0.777	S	S	*	*			trans	-62.5	139.6	166	-100.9	73.3	0	0	0	109.7	Y208	L204-Y208 HydrophobicContact CD2-CE2 4.33Å
205	N	30.2	Very low	31.5	Very low	149 Å²	149	145.6 Å²	145.6	80%	0.797	77%	0.767	S	S	*	*			trans	-141.7	50.5	-178.4	-155	4	0	0	0	113.4
206	K	34.5	Very low	31.3	Very low	171 Å²	171	146.9 Å²	146.9	74%	0.743	77%	0.768	S	S	*	*	S	Bend	trans	-179.1	150.4	147.6	-96.9	148.2	-168.8	177.9	0	110.1
207	P	27.7	Very low	31.1	Very low	122 Å²	122	149 Å²	149	79%	0.792	77%	0.772	S	S	*	*			trans	-77.2	149.2	176.4	32.4	-34.7	0	0	0	111.5
208	Y	30.6	Very low	30.8	Very low	188 Å²	188	145.7 Å²	145.7	74%	0.737	77%	0.772	S	S	*	*			trans	-108.1	123.9	165.1	-48.4	-77.5	0	0	0	107.9	L204	L204-Y208 HydrophobicContact CD2-CE2 4.33Å
209	T	26	Very low	30.5	Very low	132 Å²	132	141.3 Å²	141.3	81%	0.81	77%	0.768	S	S	*	*			trans	-78.4	123.5	168.4	-14.6	0	0	0	0	108.4
210	V	24.6	Very low	29.5	Very low	113 Å²	113	139 Å²	139	69%	0.685	76%	0.762	S	S	*	*			trans	-108.9	105.6	173.1	179.6	0	0	0	0	107.6	L212	V210-L212 VanDerWaalsContact C-N 3.29Å; V210-L212 HydrophobicContact CG1-CG 4.32Å; V210-L212 PolarHBondContact O-N 2.82Å
211	D	28.4	Very low	29.2	Very low	140 Å²	140	144.7 Å²	144.7	75%	0.749	77%	0.774	S	S	*	*			trans	-75	83.4	176.2	-69.7	-31.7	0	0	0	110.1	I213	D211-I213 VanDerWaalsContact C-N 3.28Å; D211-I213 PolarHBondContact O-N 3.12Å
212	L	23.8	Very low	28.8	Very low	128 Å²	128	141.8 Å²	141.8	67%	0.67	77%	0.769	S	S	*	*			trans	-68.4	84.4	168.2	-88.8	162	0	0	0	109.9	V210 F214	V210-L212 VanDerWaalsContact C-N 3.29Å; V210-L212 HydrophobicContact CG1-CG 4.32Å; V210-L212 PolarHBondContact O-N 2.82Å; L212-F214 HydrophobicContact CB-CD2 4.32Å; L212-F214 HydrophobicContact CB-CE2 3.91Å; L212-F214 WeakPolarHBondContact O-CD2 3.48Å; L212-F214 PolarHBondContact O-N 3.5Å
213	I	27.7	Very low	28.5	Very low	156 Å²	156	139.1 Å²	139.1	80%	0.8	77%	0.769	S	S	*	*			trans	-72.3	93.5	169.7	-57.3	180	0	0	0	108.3	D211 G215	D211-I213 VanDerWaalsContact C-N 3.28Å; D211-I213 PolarHBondContact O-N 3.12Å; I213-G215 PolarHBondContact O-N 3.21Å
214	F	25.6	Very low	28.5	Very low	166 Å²	166	132.1 Å²	132.1	73%	0.728	76%	0.756	S	S	*	*			trans	-64.7	96.8	168.1	-73.3	-88.2	0	0	0	109.6	L212 I216	L212-F214 HydrophobicContact CB-CD2 4.32Å; L212-F214 HydrophobicContact CB-CE2 3.91Å; L212-F214 WeakPolarHBondContact O-CD2 3.48Å; L212-F214 PolarHBondContact O-N 3.5Å; F214-I216 PolarHBondContact O-N 3.23Å
215	G	28.1	Very low	28.2	Very low	67 Å²	67	130.8 Å²	130.8	69%	0.691	77%	0.765	S	S	*	*			trans	-68.5	92.1	170.3	0	0	0	0	0	110.3	I213 S217	I213-G215 PolarHBondContact O-N 3.21Å; G215-S217 PolarHBondContact O-N 3.3Å; G215-S217 VanDerWaalsContact O-N 3.09Å
216	I	30.9	Very low	28.3	Very low	165 Å²	165	134.7 Å²	134.7	85%	0.846	77%	0.77	S	S	*	*			trans	-58.8	115.2	176.7	-49.9	177.3	0	0	0	108.3	F214 G218	F214-I216 PolarHBondContact O-N 3.23Å; I216-G218 VanDerWaalsContact C-N 3.31Å; I216-G218 PolarHBondContact O-N 3.44Å
217	S	26.3	Very low	28.2	Very low	113 Å²	113	136.3 Å²	136.3	79%	0.79	78%	0.777	S	S	*	*			trans	-76.5	76.3	-171.2	40	0	0	0	0	112.1	G215 V219	G215-S217 PolarHBondContact O-N 3.3Å; G215-S217 VanDerWaalsContact O-N 3.09Å; S217-V219 VanDerWaalsContact C-N 3.3Å; S217-V219 PolarHBondContact O-N 3.48Å
218	G	29.5	Very low	28.4	Very low	75 Å²	75	134 Å²	134	77%	0.773	78%	0.775	S	S	*	*			trans	-64	82.4	174.8	0	0	0	0	0	113.3	I216	I216-G218 VanDerWaalsContact C-N 3.31Å; I216-G218 PolarHBondContact O-N 3.44Å
219	V	31.3	Very low	28.4	Very low	119 Å²	119	135.7 Å²	135.7	72%	0.721	78%	0.78	S	S	*	*			trans	17.3	113.5	161.4	-173	0	0	0	0	116.4	S217 M221	S217-V219 VanDerWaalsContact C-N 3.3Å; S217-V219 PolarHBondContact O-N 3.48Å; V219-M221 PolarHBondContact O-N 3.12Å
220	P	25.5	Very low	28.9	Very low	107 Å²	107	138.2 Å²	138.2	70%	0.695	78%	0.783	S	S	*	*			trans	-66.5	126.5	168.4	29.8	-33.4	0	0	0	110	V222	P220-V222 HydrophobicContact CB-CG2 4.28Å; P220-V222 HydrophobicContact CG-CG2 4.41Å; P220-V222 PolarHBondContact O-N 3.27Å
221	M	27.3	Very low	29.8	Very low	183 Å²	183	138.2 Å²	138.2	90%	0.901	78%	0.779	S	S	*	*			trans	-72	77.1	169.7	-84.4	-164	162.8	0	0	111.1	V219 N223	V219-M221 PolarHBondContact O-N 3.12Å; M221-N223 PolarHBondContact O-N 3.29Å
222	V	27.7	Very low	30.4	Very low	122 Å²	122	136.8 Å²	136.8	74%	0.739	77%	0.771	S	S	*	*			trans	-79.3	92.4	164.8	-177.9	0	0	0	0	108.1	P220	P220-V222 HydrophobicContact CB-CG2 4.28Å; P220-V222 HydrophobicContact CG-CG2 4.41Å; P220-V222 PolarHBondContact O-N 3.27Å
223	N	29.6	Very low	31.3	Very low	159 Å²	159	141.3 Å²	141.3	85%	0.85	78%	0.779	S	S	*	*			trans	-155.6	122.8	170.4	-93.1	-44.8	0	0	0	108.8	M221	M221-N223 PolarHBondContact O-N 3.29Å
224	G	30.9	Very low	31.8	Very low	61 Å²	61	137.3 Å²	137.3	63%	0.629	78%	0.777	S	S	*	*			cis	-171.3	136	-9.1	0	0	0	0	0	108.9	Y226	G224-Y226 PolarHBondContact O-N 3.15Å; G224-Y226 VanDerWaalsContact O-N 3.1Å
225	A	26.6	Very low	32.9	Very low	111 Å²	111	139.5 Å²	139.5	92%	0.917	79%	0.786	S	S	*	*			trans	-80	94.7	-172.5	0	0	0	0	0	111.8	K227	A225-K227 PolarHBondContact O-N 2.88Å
226	Y	31.1	Very low	33.8	Very low	230 Å²	230	145.5 Å²	145.5	90%	0.902	80%	0.796	S	S	*	*			trans	-76.9	120	171.8	-108.9	-91.7	0	0	0	111.3	G224	G224-Y226 PolarHBondContact O-N 3.15Å; G224-Y226 VanDerWaalsContact O-N 3.1Å
227	K	33.1	Very low	34.2	Very low	206 Å²	206	141.5 Å²	141.5	90%	0.896	80%	0.795	S	S	*	*			trans	-111.1	136.8	173.9	-122.7	-175.7	-179.1	-176.8	0	108.9	A225	A225-K227 PolarHBondContact O-N 2.88Å
228	G	31.1	Very low	35	Very low	72 Å²	72	139.8 Å²	139.8	74%	0.742	80%	0.796	S	S	*	*			trans	81.3	158	-176.6	0	0	0	0	0	113.2
229	R	32.5	Very low	35.5	Very low	224 Å²	224	148.5 Å²	148.5	85%	0.845	81%	0.805	S	S	*	*			cis	-143.6	132.6	10.2	-178.2	175.5	180	152	2.2	109.9	D231	R229-D231 IonicContact NE-OD2 3.84Å
230	E	36	Very low	35.4	Very low	185 Å²	185	146.4 Å²	146.4	86%	0.864	81%	0.807	S	S	*	*			trans	-78	149.7	169.2	-59.8	175.4	120.3	0	0	110.1
231	D	42.6	Very low	35.9	Very low	114 Å²	114	147.3 Å²	147.3	61%	0.61	82%	0.817	S	S	*	*			trans	-162.7	112.8	158.3	-110.4	-50.6	0	0	0	111.8	R229	R229-D231 IonicContact NE-OD2 3.84Å
232	N	41.4	Very low	36	Very low	109 Å²	109	145.6 Å²	145.6	58%	0.583	81%	0.809	S	S	*	*			trans	69	145.4	157.3	-54.5	-76.9	0	0	0	118.8
233	R	41.7	Very low	36.1	Very low	224 Å²	224	149.2 Å²	149.2	85%	0.845	82%	0.818	S	S	*	*			cis	-158.9	147.3	-3.8	-124.8	167.4	-136.8	-179.8	4.7	112.3
234	G	39.7	Very low	36.1	Very low	72 Å²	72	149.3 Å²	149.3	74%	0.742	81%	0.812	S	S	*	*			trans	84.6	102.2	140.4	0	0	0	0	0	119.1
235	K	47.2	Very low	35.9	Very low	212 Å²	212	153.5 Å²	153.5	92%	0.922	82%	0.819	S	S	*	*				-157.1	143.5	108.3	-109.7	174.4	-175.8	-177.5	0	112.4
236	E	47.4	Very low	36	Very low	193 Å²	193	153.4 Å²	153.4	90%	0.902	81%	0.812	S	S	*	*			trans	-74.5	161.6	168	-58.6	148.7	138.6	0	0	109.3
237	G	39.8	Very low	36	Very low	80 Å²	80	149.2 Å²	149.2	83%	0.825	81%	0.81	S	S	*	*			cis	172.6	147.2	-4.6	0	0	0	0	0	109.5
238	G	42.8	Very low	36	Very low	78 Å²	78	142.6 Å²	142.6	80%	0.804	80%	0.8	S	S	*	*			trans	-170.1	108.1	-176.9	0	0	0	0	0	112.7
239	R	39.3	Very low	36.2	Very low	257 Å²	257	147 Å²	147	97%	0.97	81%	0.805	S	S	*	*			trans	-76.4	148.8	170.8	-58.7	169.8	-179.2	153.4	-2.2	108.9
240	G	31.1	Very low	36.2	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	79%	0.794	S	S	*	*			cis	129	109.6	-2.9	0	0	0	0	0	112.3
241	S	34.6	Very low	36.4	Very low	127 Å²	127	137.9 Å²	137.9	89%	0.888	79%	0.793	S	S	*	*			trans	-150.3	149.1	161.6	53	0	0	0	0	108.9
242	I	29	Very low	36.2	Very low	146 Å²	146	135.8 Å²	135.8	75%	0.749	80%	0.799	S	S	*	*			trans	-125.8	137.4	-176.3	-64.2	167.8	0	0	0	107.1	F244	I242-F244 HydrophobicContact CG2-CD2 3.89Å; I242-F244 HydrophobicContact CG2-CE2 3.81Å
243	E	31.6	Very low	36.3	Very low	198 Å²	198	138.9 Å²	138.9	93%	0.925	81%	0.807	S	S	*	*			trans	-150	159.7	151	-130.9	162.1	-150.5	0	0	111.7
244	F	27.9	Very low	36.5	Very low	162 Å²	162	134.6 Å²	134.6	71%	0.711	80%	0.801	S	S	*	*			trans	-118.8	163.5	-167.8	-89.1	-105.1	0	0	0	111.6	I242	I242-F244 HydrophobicContact CG2-CD2 3.89Å; I242-F244 HydrophobicContact CG2-CE2 3.81Å
245	N	28	Very low	36.7	Very low	148 Å²	148	138.7 Å²	138.7	79%	0.791	80%	0.801	S	S	*	*			trans	71.1	167	172	-40.9	-53.9	0	0	0	113.2
246	S	27.9	Very low	36.4	Very low	110 Å²	110	137.2 Å²	137.2	77%	0.769	79%	0.794	S	S	*	*			cis	-145.2	174.3	9	-48.5	0	0	0	0	112.1
247	V	32.4	Very low	36	Very low	142 Å²	142	133.6 Å²	133.6	86%	0.861	79%	0.787	S	S	*	*			trans	-66.4	137.2	162.5	174.7	0	0	0	0	111.3
248	G	33	Very low	36.2	Very low	66 Å²	66	135.5 Å²	135.5	68%	0.68	78%	0.779	S	S	*	*			trans	-179.3	107.5	169.5	0	0	0	0	0	109.7
249	I	33.6	Very low	36.2	Very low	164 Å²	164	139.5 Å²	139.5	84%	0.841	77%	0.774	S	S	*	*				69.6	87.2	69.6	-55.8	176.2	0	0	0	113.7
250	G	33.8	Very low	36.1	Very low	61 Å²	61	136.5 Å²	136.5	63%	0.629	77%	0.768	S	S	*	*			trans	78.7	121	131.1	0	0	0	0	0	120.9
251	N	39.2	Very low	36.2	Very low	157 Å²	157	138.3 Å²	138.3	84%	0.84	77%	0.768	S	S	*	*				177.6	157.4	101	-96	-70.7	0	0	0	112.8
252	G	39.8	Very low	36.3	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	77%	0.767	S	S	*	*			trans	120.5	65.7	176.2	0	0	0	0	0	114.1
253	K	42.9	Very low	36.6	Very low	174 Å²	174	138.4 Å²	138.4	76%	0.757	77%	0.771	S	S	*	*				49.8	97.5	78.4	-67.7	-172	179.2	178.5	0	114.8
254	N	46	Very low	36.7	Very low	135 Å²	135	133.9 Å²	133.9	72%	0.722	75%	0.753	S	S	*	*				178.8	134.5	96.5	-89.4	-28.3	0	0	0	114.7
255	H	42.7	Very low	37.2	Very low	158 Å²	158	127.9 Å²	127.9	73%	0.731	73%	0.73	S	S	*	*			trans	59.4	145.7	157.7	-63.5	-20.2	0	0	0	119.6
256	K	41.3	Very low	37.5	Very low	181 Å²	181	123.5 Å²	123.5	79%	0.787	71%	0.709	S	S	*	*			cis	-150.5	147.3	-8	-121	172.6	-174.1	178.4	0	108.6
257	P	40.6	Very low	37.7	Very low	117 Å²	117	126.7 Å²	126.7	76%	0.76	71%	0.705	S	S	*	*			trans	-102.5	156	-173.5	38.1	-33.5	0	0	0	113.8
258	D	42.4	Very low	37.7	Very low	120 Å²	120	123.6 Å²	123.6	64%	0.642	70%	0.702	S	S	*	*				-163.6	147	123.1	-126.2	-9.9	0	0	0	115
259	K	42.8	Very low	37.8	Very low	161 Å²	161	128 Å²	128	70%	0.7	71%	0.708	S	S	*	*			trans	30	134.8	149	-65.2	158.9	-172.1	93.5	0	119.1
260	K	38.7	Very low	37.6	Very low	195 Å²	195	125.5 Å²	125.5	85%	0.848	71%	0.705	S	S	*	*			cis	-165.2	148.2	27.9	-130	169.6	-174.3	179.6	0	110.6
261	S	31.9	Very low	37.6	Very low	112 Å²	112	126.4 Å²	126.4	78%	0.783	71%	0.714	S	S	*	*			trans	-108.6	153.5	164.4	56.4	0	0	0	0	110.8
262	T	37	Very low	37.2	Very low	140 Å²	140	125.5 Å²	125.5	86%	0.859	71%	0.714	S	S	*	*			trans	-153.1	143.4	155.3	-1.9	0	0	0	0	109.3
263	V	36.3	Very low	36.9	Very low	136 Å²	136	127.9 Å²	127.9	82%	0.824	72%	0.72	S	S	*	*			trans	-89.4	162.6	174.7	178.8	0	0	0	0	109.5
264	D	31.9	Very low	36.4	Very low	103 Å²	103	128.7 Å²	128.7	55%	0.551	72%	0.724	S	S	*	*			trans	-51.8	-176.2	164.9	-155.7	40	0	0	0	110.9
265	P	39	Very low	35.7	Very low	36 Å²	36	127.8 Å²	127.8	23%	0.234	72%	0.723	C	S	.	*			cis	-157.3	174.2	15.4	54.4	-33.8	0	0	0	118.9	R179 Y180	R179-P265 HydrophobicContact CB-CG 4.13Å; R179-P265 VanDerWaalsContact CD-O 3.22Å; R179-P265 WeakPolarHBondContact CD-O 3.34Å; R179-P265 WeakPolarHBondContact CG-O 3.12Å; Y180-P265 HydrophobicContact CD2-CB 3.7Å; Y180-P265 HydrophobicContact CG-CB 4.04Å; Y180-P265 WeakPolarHBondContact O-CG 3.44Å
266	T	33.6	Very low	35.2	Very low	56 Å²	56	127.9 Å²	127.9	34%	0.344	73%	0.729	S	S	.	*			trans	149.9	102.1	175.3	148.4	0	0	0	0	123.2	R179 Y180	R179-T266 VanDerWaalsContact CA-CB 3.49Å; R179-T266 WeakPolarHBondContact CG-OG1 3.43Å; Y180-T266 HydrophobicContact CD1-CG2 3.78Å; Y180-T266 HydrophobicContact CD2-CG2 3.88Å; Y180-T266 HydrophobicContact CE1-CG2 4.35Å; Y180-T266 HydrophobicContact CE2-CG2 4.34Å; Y180-T266 HydrophobicContact CG-CG2 3.45Å; Y180-T266 VanDerWaalsContact CG-CG2 3.45Å
267	Y	32.2	Very low	34.8	Very low	176 Å²	176	122.8 Å²	122.8	69%	0.69	73%	0.727	S	S	*	*			trans	-17.6	140.1	148.3	-79.4	-134.8	0	0	0	115.8	Y180	Y180-Y267 AromaticContact CD1-CD2 3.74Å; Y180-Y267 HydrophobicContact CD1-CD2 3.74Å; Y180-Y267 AromaticContact CD1-CE2 3.82Å; Y180-Y267 HydrophobicContact CD1-CE2 3.82Å; Y180-Y267 AromaticContact CE1-CD2 3.25Å; Y180-Y267 HydrophobicContact CE1-CD2 3.25Å; Y180-Y267 AromaticContact CE1-CE2 3.32Å; Y180-Y267 HydrophobicContact CE1-CE2 3.32Å; Y180-Y267 AromaticContact CZ-CD2 3.69Å
268	G	33.1	Very low	34.5	Very low	77 Å²	77	122 Å²	122	79%	0.794	73%	0.731	S	S	*	*			trans	-153.2	139.2	157.1	0	0	0	0	0	110.9
269	I	34.1	Very low	34	Very low	159 Å²	159	126.4 Å²	126.4	82%	0.815	74%	0.74	S	S	*	*			trans	-91.3	156.7	-172.4	-71.3	172.4	0	0	0	112.1
270	S	31.1	Very low	33.9	Very low	111 Å²	111	128.8 Å²	128.8	78%	0.776	75%	0.75	S	S	*	*			trans	-35.1	142.5	-178.7	60.4	0	0	0	0	118.2
271	G	33.2	Very low	33.7	Very low	80 Å²	80	129.1 Å²	129.1	83%	0.825	75%	0.746	S	S	*	*			trans	-146.3	111.6	159.4	0	0	0	0	0	111.3
272	V	29.6	Very low	34.2	Very low	138 Å²	138	135.7 Å²	135.7	84%	0.836	75%	0.754	S	S	*	*			trans	-88	123.6	176.9	176	0	0	0	0	110
273	S	33.8	Very low	34.5	Very low	120 Å²	120	136 Å²	136	84%	0.839	75%	0.745	S	S	*	*			trans	-128.1	135.2	164.5	-79.6	0	0	0	0	110.7
274	K	32.6	Very low	35.2	Very low	192 Å²	192	137.1 Å²	137.1	84%	0.835	75%	0.747	S	S	*	*			trans	-88.7	-178.4	174.1	-70.9	-179.6	176.2	179.8	0	110.8
275	V	31.6	Very low	36.1	Very low	116 Å²	116	139.6 Å²	139.6	70%	0.703	76%	0.76	S	S	*	*			trans	98.4	104.6	151.6	-169.8	0	0	0	0	116.3
276	N	31.7	Very low	36.2	Very low	160 Å²	160	141 Å²	141	86%	0.856	78%	0.782	S	S	*	*			trans	39.2	134.3	138.1	-46.6	-5.1	0	0	0	120.8
277	G	32.6	Very low	36.8	Very low	73 Å²	73	146.5 Å²	146.5	75%	0.753	81%	0.809	S	S	*	*			trans	177	121.6	151.6	0	0	0	0	0	117
278	A	35.3	Very low	37.1	Very low	102 Å²	102	144.6 Å²	144.6	84%	0.843	82%	0.816	S	S	*	*			trans	45.8	99	147.8	0	0	0	0	0	120.2
279	Y	30.9	Very low	37.4	Very low	212 Å²	212	150.4 Å²	150.4	83%	0.831	82%	0.822	S	S	*	*			trans	-34.5	141.8	143.2	-113.7	-105.2	0	0	0	113.8
280	K	41	Very low	37.5	Very low	211 Å²	211	151.2 Å²	151.2	92%	0.917	82%	0.822	S	S	*	*			trans	-144.9	127.3	145.3	-117	178.2	-176.7	178.7	0	110.3
281	R	35	Very low	37.6	Very low	201 Å²	201	149.6 Å²	149.6	76%	0.758	82%	0.823	S	S	*	*			trans	-75	146.1	176.4	-61.6	177.5	-176.6	162.6	-0.6	110.3
282	R	42.1	Very low	37.7	Very low	250 Å²	250	156.3 Å²	156.3	94%	0.943	83%	0.825	S	S	*	*				-129.5	142.3	127.5	-99.9	-175.8	172.5	165.6	-3.4	108.1
283	Q	43.5	Very low	37.5	Very low	146 Å²	146	153.3 Å²	153.3	68%	0.682	82%	0.822	S	S	*	*			trans	-85.1	150.4	169.7	-66.4	148.6	-102.8	0	0	107.9
284	D	52.1	Low	37.2	Very low	160 Å²	160	152.9 Å²	152.9	86%	0.856	82%	0.82	S	S	*	*			trans	-148.8	155.8	136.3	-91.6	-46.7	0	0	0	108.1
285	N	49.5	Very low	36.8	Very low	156 Å²	156	149.8 Å²	149.8	83%	0.834	82%	0.817	S	S	*	*			trans	-85.2	161.6	-156	-44.9	-69.6	0	0	0	113.7
286	G	42.3	Very low	36.7	Very low	66 Å²	66	152.3 Å²	152.3	68%	0.68	82%	0.821	S	S	*	*			trans	157.1	97.1	165.5	0	0	0	0	0	115.1
287	D	45.3	Very low	36.3	Very low	171 Å²	171	153.7 Å²	153.7	91%	0.914	82%	0.82	S	S	*	*			trans	51.8	120.1	149.2	-50.6	-24.6	0	0	0	121.3
288	T	38.5	Very low	36.2	Very low	136 Å²	136	157.1 Å²	157.1	83%	0.834	82%	0.821	S	S	*	*			trans	-92.4	135.3	173.8	46.4	0	0	0	0	112.6
289	E	40.4	Very low	35.7	Very low	199 Å²	199	157.5 Å²	157.5	93%	0.93	82%	0.817	S	S	*	*			trans	-126.5	140.3	146.8	-78.9	-162.5	141.4	0	0	109.8
290	E	35.6	Very low	35.6	Very low	175 Å²	175	154.3 Å²	154.3	82%	0.818	82%	0.819	S	S	*	*			trans	-91	118.7	-175.4	-61.3	-174.4	133.6	0	0	111.3
291	G	33.7	Very low	35.1	Very low	78 Å²	78	147.7 Å²	147.7	80%	0.804	81%	0.811	S	S	*	*			trans	-115.5	100.1	177	0	0	0	0	0	111.7	G293	G291-G293 PolarHBondContact O-N 3.44Å
292	Y	33.8	Very low	35.1	Very low	220 Å²	220	144 Å²	144	86%	0.863	81%	0.807	S	S	*	*			trans	-57.2	135.4	-177.9	-84.4	-103.1	0	0	0	112.9
293	G	26.2	Very low	34.7	Very low	75 Å²	75	141.6 Å²	141.6	77%	0.773	80%	0.798	S	S	*	*			trans	-94.6	143.7	167.8	0	0	0	0	0	111.8	G291	G291-G293 PolarHBondContact O-N 3.44Å
294	S	28.4	Very low	34.4	Very low	112 Å²	112	142.5 Å²	142.5	78%	0.783	81%	0.807	S	S	*	*			trans	-132.5	116.5	163.3	59.7	0	0	0	0	109.3
295	T	24.2	Very low	33.5	Very low	126 Å²	126	138.1 Å²	138.1	77%	0.773	80%	0.799	S	S	*	*			trans	-122.1	90.7	171.1	-59.4	0	0	0	0	107.6	F297	T295-F297 HydrophobicContact CG2-CD2 4.11Å; T295-F297 HydrophobicContact CG2-CE2 4.25Å
296	E	28.4	Very low	32.8	Very low	169 Å²	169	137.8 Å²	137.8	79%	0.79	80%	0.798	S	S	*	*			trans	-87.8	117.9	174.3	-66.6	-163.9	138.3	0	0	110.7
297	F	23.8	Very low	32.2	Very low	189 Å²	189	145.7 Å²	145.7	83%	0.829	81%	0.809	S	S	*	*			trans	-114.7	108.8	156.4	-86.6	-89.8	0	0	0	107.2	T295	T295-F297 HydrophobicContact CG2-CD2 4.11Å; T295-F297 HydrophobicContact CG2-CE2 4.25Å
298	N	30.5	Very low	31.5	Very low	146 Å²	146	146.5 Å²	146.5	78%	0.781	80%	0.804	S	S	*	*			trans	-124	155.6	166.7	-85	-45.5	0	0	0	109.3
299	S	24.7	Very low	31	Very low	110 Å²	110	147.1 Å²	147.1	77%	0.769	80%	0.802	S	S	*	*			trans	-150.5	164.5	-161.6	57.6	0	0	0	0	114.4
300	V	29.5	Very low	30.6	Very low	144 Å²	144	145.2 Å²	145.2	87%	0.873	80%	0.798	S	S	*	*			trans	79.6	131.9	168.3	-170.3	0	0	0	0	117.5
301	G	29.7	Very low	30.4	Very low	73 Å²	73	143.7 Å²	143.7	75%	0.753	79%	0.789	S	S	*	*			trans	93.9	134.3	161	0	0	0	0	0	115.6
302	D	34.9	Very low	30.1	Very low	124 Å²	124	149.7 Å²	149.7	66%	0.663	79%	0.793	S	S	*	*			cis	-147.6	-172	-17.6	-166.3	13.9	0	0	0	108.9	D304	D302-D304 PolarHBondContact O-N 2.79Å
303	R	33.3	Very low	29.8	Very low	199 Å²	199	148.2 Å²	148.2	75%	0.751	79%	0.787	S	S	*	*			trans	-43.5	122.6	176.4	-54.2	137.5	177.6	120.1	-7	113
304	D	38	Very low	29.7	Very low	165 Å²	165	150.2 Å²	150.2	88%	0.882	78%	0.784	S	S	*	*				-161.5	147.1	106.2	-101.1	-26	0	0	0	111.8	D302	D302-D304 PolarHBondContact O-N 2.79Å
305	G	33.2	Very low	29.5	Very low	67 Å²	67	150.3 Å²	150.3	69%	0.691	78%	0.779	S	S	*	*			trans	-95.7	117.6	-166.7	0	0	0	0	0	114.3
306	N	33.6	Very low	29.6	Very low	150 Å²	150	151 Å²	151	80%	0.802	78%	0.778	S	S	*	*			trans	-161	96.1	160.8	-105.9	-55.1	0	0	0	113.1
307	Y	30.6	Very low	29.5	Very low	232 Å²	232	149.1 Å²	149.1	91%	0.91	77%	0.773	S	S	*	*			trans	-116.7	106.4	172.6	-79.3	-76.5	0	0	0	111.7
308	K	31.5	Very low	29.6	Very low	187 Å²	187	147.8 Å²	147.8	81%	0.813	77%	0.773	S	S	*	*			trans	-76.4	124.4	178.5	-71.2	-177.2	177.4	178.1	0	112	N310	K308-N310 PolarHBondContact O-N 3.01Å; K308-N310 VanDerWaalsContact O-N 3.1Å
309	L	27.6	Very low	29.5	Very low	150 Å²	150	149.2 Å²	149.2	79%	0.785	77%	0.773	S	S	*	*			trans	-83.1	77	-179.3	-111.2	154.8	0	0	0	112.1	K311	L309-K311 VanDerWaalsContact C-N 3.35Å; L309-K311 HydrophobicContact CD2-CG 4.29Å; L309-K311 PolarHBondContact O-N 3.18Å
310	N	31	Very low	29.7	Very low	159 Å²	159	147.5 Å²	147.5	85%	0.85	77%	0.773	S	S	*	*			trans	-73.7	81.1	174.2	-82.7	-8.3	0	0	0	112.2	K308	K308-N310 PolarHBondContact O-N 3.01Å; K308-N310 VanDerWaalsContact O-N 3.1Å
311	K	31.9	Very low	29.7	Very low	143 Å²	143	146 Å²	146	62%	0.622	77%	0.769	S	S	*	*			trans	-89.7	114.5	164.6	-75.3	-175.9	177	177.6	0	110.5	L309 Y313	L309-K311 VanDerWaalsContact C-N 3.35Å; L309-K311 HydrophobicContact CD2-CG 4.29Å; L309-K311 PolarHBondContact O-N 3.18Å; K311-Y313 HydrophobicContact CB-CD2 4.32Å; K311-Y313 HydrophobicContact CB-CE2 3.76Å; K311-Y313 HydrophobicContact CD-CE2 4.49Å
312	K	26.8	Very low	29.9	Very low	204 Å²	204	148.5 Å²	148.5	89%	0.887	78%	0.775	S	S	*	*			trans	-70.1	132.7	157.9	-79.8	-170.7	173.5	-173.1	0	108.7
313	Y	28.5	Very low	29.9	Very low	188 Å²	188	146.4 Å²	146.4	74%	0.737	78%	0.782	S	S	*	*			trans	-106.2	130	164	-69.3	-98.5	0	0	0	107.8	K311	K311-Y313 HydrophobicContact CB-CD2 4.32Å; K311-Y313 HydrophobicContact CB-CE2 3.76Å; K311-Y313 HydrophobicContact CD-CE2 4.49Å
314	T	24.1	Very low	29.8	Very low	118 Å²	118	143.7 Å²	143.7	72%	0.724	79%	0.787	S	S	*	*			trans	-99.4	132.3	163.1	-49.5	0	0	0	0	106.5
315	V	24.1	Very low	29.5	Very low	113 Å²	113	140.9 Å²	140.9	69%	0.685	78%	0.778	S	S	*	*			trans	-118.1	107.1	176	-178.9	0	0	0	0	107.3	L317	V315-L317 HydrophobicContact CG1-CD2 4.43Å; V315-L317 HydrophobicContact CG1-CG 4.29Å
316	D	26.2	Very low	29.3	Very low	140 Å²	140	144.7 Å²	144.7	75%	0.749	78%	0.782	S	S	*	*			trans	-83.6	114.9	173.9	-60.4	-47.6	0	0	0	108.6
317	L	25.8	Very low	29.1	Very low	130 Å²	130	144.7 Å²	144.7	68%	0.681	79%	0.787	S	S	*	*			trans	-100.3	113.9	175	-74.1	172.7	0	0	0	109.8	V315 F319	V315-L317 HydrophobicContact CG1-CD2 4.43Å; V315-L317 HydrophobicContact CG1-CG 4.29Å; L317-F319 HydrophobicContact CB-CD2 4.36Å; L317-F319 HydrophobicContact CB-CE2 3.83Å; L317-F319 HydrophobicContact CD1-CE2 4.18Å; L317-F319 HydrophobicContact CD2-CZ 4.42Å; L317-F319 HydrophobicContact CG-CE2 4.4Å
318	I	26.3	Very low	29.1	Very low	162 Å²	162	140.6 Å²	140.6	83%	0.831	78%	0.781	S	S	*	*			trans	-102.6	119.2	173.5	-57	173.9	0	0	0	107.6
319	F	28	Very low	28.9	Very low	175 Å²	175	135.3 Å²	135.3	77%	0.768	78%	0.779	S	S	*	*			trans	-113.1	120.2	173	-70.3	-75	0	0	0	109.9	L317	L317-F319 HydrophobicContact CB-CD2 4.36Å; L317-F319 HydrophobicContact CB-CE2 3.83Å; L317-F319 HydrophobicContact CD1-CE2 4.18Å; L317-F319 HydrophobicContact CD2-CZ 4.42Å; L317-F319 HydrophobicContact CG-CE2 4.4Å
320	G	28.2	Very low	29	Very low	75 Å²	75	132.8 Å²	132.8	77%	0.773	78%	0.78	S	S	*	*			trans	-79.6	150.1	170.6	0	0	0	0	0	111.5
321	S	30.2	Very low	28.9	Very low	112 Å²	112	136.7 Å²	136.7	78%	0.783	79%	0.785	S	S	*	*	S	Bend	trans	-81.9	142	176.1	51	0	0	0	0	112.4
322	S	34.5	Very low	29.1	Very low	126 Å²	126	139.4 Å²	139.4	88%	0.881	80%	0.796	S	S	*	*			trans	71.1	134.3	178.7	77.8	0	0	0	0	116.1
323	G	34.3	Very low	29.3	Very low	79 Å²	79	132.8 Å²	132.8	81%	0.814	79%	0.786	S	S	*	*			trans	127.8	92.6	178	0	0	0	0	0	114.6
324	V	31.5	Very low	29.5	Very low	143 Å²	143	132.3 Å²	132.3	87%	0.867	79%	0.79	S	S	*	*			trans	-104.3	127	164.4	173.7	0	0	0	0	105.2
325	P	30.8	Very low	30.1	Very low	106 Å²	106	133.3 Å²	133.3	69%	0.688	79%	0.787	S	S	*	*				-156.3	169.2	82.6	41.6	-21.5	0	0	0	119.1
326	L	30	Very low	30.8	Very low	146 Å²	146	133.7 Å²	133.7	76%	0.764	79%	0.785	S	S	*	*			trans	49.6	98.2	144.8	-68.2	165	0	0	0	119.6	N328	L326-N328 PolarHBondContact O-N 2.83Å
327	V	29	Very low	31.5	Very low	150 Å²	150	134.7 Å²	134.7	91%	0.909	79%	0.79	S	S	*	*			trans	-87	96	154	-179.8	0	0	0	0	109.3
328	N	30.9	Very low	32.1	Very low	146 Å²	146	132.4 Å²	132.4	78%	0.781	80%	0.798	S	S	*	*			trans	-90.9	122.3	163.7	-100.6	-16.9	0	0	0	109.3	L326	L326-N328 PolarHBondContact O-N 2.83Å
329	G	26.6	Very low	32.6	Very low	76 Å²	76	128.2 Å²	128.2	78%	0.784	80%	0.795	S	S	*	*			trans	-82.4	140.7	179.1	0	0	0	0	0	113
330	A	30.6	Very low	33.2	Very low	97 Å²	97	126.3 Å²	126.3	80%	0.802	80%	0.798	S	S	*	*			trans	-153.9	65.2	173.5	0	0	0	0	0	112.5	K332	A330-K332 PolarHBondContact O-N 2.83Å
331	Y	29	Very low	33.8	Very low	242 Å²	242	131.6 Å²	131.6	95%	0.949	80%	0.8	S	S	*	*			trans	-77.9	110.2	166.5	-131	-87.5	0	0	0	108.6
332	K	35.5	Very low	34.1	Very low	200 Å²	200	129.6 Å²	129.6	87%	0.87	80%	0.797	S	S	*	*			trans	-87.5	129.4	173.4	-82.3	-169.7	172.5	-175.2	0	110.4	A330	A330-K332 PolarHBondContact O-N 2.83Å
333	G	30.6	Very low	34.4	Very low	65 Å²	65	130 Å²	130	67%	0.67	79%	0.789	S	S	*	*			trans	-100.3	-155.5	173.5	0	0	0	0	0	113.5
334	H	34.2	Very low	34.5	Very low	177 Å²	177	134.8 Å²	134.8	82%	0.819	79%	0.79	S	S	*	*			trans	67.6	151.9	-170.9	-64.2	-70.9	0	0	0	116.6
335	E	36.3	Very low	34.7	Very low	140 Å²	140	133.1 Å²	133.1	65%	0.654	79%	0.791	S	S	*	*			cis	170.5	160.8	-39	-113	179.9	173.3	0	0	109.3
336	N	38.6	Very low	34.7	Very low	121 Å²	121	133.3 Å²	133.3	65%	0.647	80%	0.795	S	S	*	*			trans	63.4	137.5	157	-55.3	-29.7	0	0	0	117.5
337	N	40.2	Very low	34.8	Very low	160 Å²	160	133.2 Å²	133.2	86%	0.856	80%	0.8	S	S	*	*			cis	-157.6	156.9	45.3	-81.3	-83.9	0	0	0	113.8
338	G	39.4	Very low	34.8	Very low	82 Å²	82	134 Å²	134	85%	0.845	79%	0.794	S	S	*	*			trans	80.7	134.2	163	0	0	0	0	0	115.3
339	G	35.8	Very low	34.7	Very low	75 Å²	75	136.9 Å²	136.9	77%	0.773	80%	0.8	S	S	*	*			cis	108.3	126.4	14.9	0	0	0	0	0	109.7
340	T	41.9	Very low	35	Very low	134 Å²	134	139.9 Å²	139.9	82%	0.822	80%	0.798	S	S	*	*			cis	-151	167.9	30	44	0	0	0	0	113.4
341	K	39.4	Very low	35.1	Very low	187 Å²	187	141 Å²	141	81%	0.813	80%	0.797	S	S	*	*			trans	13.1	129.4	151.7	-52	178.1	-178.4	-174.5	0	117.6
342	G	37	Very low	35.3	Very low	70 Å²	70	134.7 Å²	134.7	72%	0.722	80%	0.795	S	S	*	*			cis	162.1	-164.5	19.1	0	0	0	0	0	110.9
343	D	41.3	Very low	35.3	Very low	134 Å²	134	128.9 Å²	128.9	72%	0.717	79%	0.792	S	S	*	*			cis	-158.6	-166	-7.4	-86.9	-36.3	0	0	0	109.4
344	H	36	Very low	35.6	Very low	180 Å²	180	134.4 Å²	134.4	83%	0.833	81%	0.806	S	S	*	*			trans	-40	132.9	-169.9	-59.3	-89.1	0	0	0	122.4
345	A	36.5	Very low	35.8	Very low	107 Å²	107	129.3 Å²	129.3	88%	0.884	80%	0.802	S	S	*	*				-160.7	135.1	124.1	0	0	0	0	0	110.2
346	S	30.2	Very low	36	Very low	111 Å²	111	130.6 Å²	130.6	78%	0.776	81%	0.813	S	S	*	*			trans	-143.3	136.9	-172.4	56.4	0	0	0	0	113.2
347	T	31.8	Very low	35.9	Very low	144 Å²	144	128.5 Å²	128.5	88%	0.883	82%	0.82	S	S	*	*			trans	-141.3	122.5	165.1	-42.8	0	0	0	0	109.2
348	E	29.9	Very low	35.7	Very low	165 Å²	165	129.5 Å²	129.5	77%	0.771	82%	0.817	S	S	*	*			trans	-86	157.9	175.1	-60.7	176.8	110.7	0	0	111.4
349	F	27	Very low	35.4	Very low	207 Å²	207	133.1 Å²	133.1	91%	0.908	82%	0.817	S	S	*	*			trans	-150.6	131.6	146.4	-124	-82.7	0	0	0	110.4
350	N	33.9	Very low	35.2	Very low	139 Å²	139	139.3 Å²	139.3	74%	0.743	82%	0.818	S	S	*	*			trans	-86.9	153.8	-177.3	-93.1	-56.9	0	0	0	112.6
351	P	33.3	Very low	34.7	Very low	121 Å²	121	142.2 Å²	142.2	79%	0.786	82%	0.819	S	S	*	*			trans	-93.2	130.6	-176.8	34.9	-32.8	0	0	0	113.7
352	A	33.4	Very low	34.4	Very low	109 Å²	109	141.8 Å²	141.8	90%	0.901	83%	0.825	S	S	*	*			trans	-155.6	136.6	159.4	0	0	0	0	0	110.4
353	G	34.5	Very low	34.2	Very low	79 Å²	79	144.9 Å²	144.9	81%	0.814	83%	0.825	S	S	*	*			trans	167.9	104.2	178.1	0	0	0	0	0	112.8
354	N	38	Very low	34	Very low	180 Å²	180	148.3 Å²	148.3	96%	0.963	83%	0.834	S	S	*	*			trans	-80.5	152	174	-76.5	-30.7	0	0	0	111.2
355	G	36.8	Very low	33.8	Very low	70 Å²	70	148.5 Å²	148.5	72%	0.722	83%	0.832	S	S	*	*			trans	-169.5	89.1	177.3	0	0	0	0	0	113.5
356	D	41.4	Very low	33.4	Very low	168 Å²	168	148.9 Å²	148.9	90%	0.898	83%	0.828	S	S	*	*			trans	46.5	117.1	155.8	-56.3	-13.1	0	0	0	120.9
357	G	35.3	Very low	33.3	Very low	77 Å²	77	149.2 Å²	149.2	79%	0.794	83%	0.826	S	S	*	*			trans	-85.5	153.2	175.6	0	0	0	0	0	114.8
358	K	37.7	Very low	33	Very low	180 Å²	180	149.4 Å²	149.4	78%	0.783	82%	0.82	S	S	*	*			trans	-138.6	137.8	162.5	-68	-174.6	-179.8	174	0	109.9	Y360	K358-Y360 HydrophobicContact CB-CE2 4.36Å; K358-Y360 VanDerWaalsContact O-CD2 3.3Å; K358-Y360 WeakPolarHBondContact O-CD2 2.99Å
359	D	32.7	Very low	32.9	Very low	158 Å²	158	148.3 Å²	148.3	85%	0.845	82%	0.819	S	S	*	*			trans	-69.1	132.8	-172.9	-68.8	-64.8	0	0	0	114.2
360	Y	30.9	Very low	32.8	Very low	205 Å²	205	142.9 Å²	142.9	80%	0.804	80%	0.803	S	S	*	*			trans	-129.7	107.2	169.9	-71.7	-79.5	0	0	0	112.1	K358 L362	K358-Y360 HydrophobicContact CB-CE2 4.36Å; K358-Y360 VanDerWaalsContact O-CD2 3.3Å; K358-Y360 WeakPolarHBondContact O-CD2 2.99Å; Y360-L362 PolarHBondContact O-N 2.9Å
361	K	32.2	Very low	32.6	Very low	195 Å²	195	144 Å²	144	85%	0.848	81%	0.807	S	S	*	*			trans	-73.3	113	-180	-69	169.2	179.4	165.3	0	111.6
362	L	31.6	Very low	32.3	Very low	179 Å²	179	147.4 Å²	147.4	94%	0.937	81%	0.806	S	S	*	*			trans	-91.1	106.6	173.4	-101.3	164.3	0	0	0	112	Y360	Y360-L362 PolarHBondContact O-N 2.9Å
363	N	33.7	Very low	32	Very low	135 Å²	135	146 Å²	146	72%	0.722	80%	0.802	S	S	*	*			trans	-103.3	116.3	177	-81.7	-55.8	0	0	0	111.8
364	K	36.7	Very low	32	Very low	205 Å²	205	149.1 Å²	149.1	89%	0.891	80%	0.798	S	S	*	*				162.9	162.1	129.3	-89.7	172.2	180	-175.1	0	112.5
365	K	32.2	Very low	31.6	Very low	185 Å²	185	145.7 Å²	145.7	80%	0.804	79%	0.789	S	S	*	*			trans	-79.1	155.2	-171.1	-58.9	-179.6	176.4	-173.3	0	113.6
366	S	28.6	Very low	31.5	Very low	115 Å²	115	151.1 Å²	151.1	80%	0.804	80%	0.795	S	S	*	*			trans	-109.5	147	150.1	-59.7	0	0	0	0	108.5
367	T	27.1	Very low	31.1	Very low	117 Å²	117	150.5 Å²	150.5	72%	0.718	79%	0.79	S	S	*	*			trans	-120.1	135.5	173.3	-49.8	0	0	0	0	108.4
368	I	25.7	Very low	31	Very low	148 Å²	148	152.4 Å²	152.4	76%	0.759	79%	0.789	S	S	*	*			trans	-119.4	124.5	174.9	-58.1	175.6	0	0	0	107	V370	I368-V370 HydrophobicContact CG2-CG2 3.98Å
369	N	27.3	Very low	30.7	Very low	142 Å²	142	152.4 Å²	152.4	76%	0.759	79%	0.789	S	S	*	*			trans	-105.7	128.5	173	-65.4	-8	0	0	0	108
370	V	26.8	Very low	30.7	Very low	93 Å²	93	151.7 Å²	151.7	56%	0.564	79%	0.789	S	S	*	*			trans	-125.1	128.5	174.1	-170.8	0	0	0	0	108	I368 Y372	I368-V370 HydrophobicContact CG2-CG2 3.98Å; V370-Y372 HydrophobicContact CB-CE2 4.39Å; V370-Y372 HydrophobicContact CG1-CD2 3.94Å; V370-Y372 HydrophobicContact CG1-CE2 3.41Å; V370-Y372 VanDerWaalsContact CG1-CE2 3.41Å
371	I	28	Very low	30.8	Very low	164 Å²	164	148.7 Å²	148.7	84%	0.841	79%	0.787	S	S	*	*			trans	-116.4	119.6	178.3	-58.7	175.5	0	0	0	107.2
372	Y	28	Very low	30.7	Very low	192 Å²	192	148.2 Å²	148.2	75%	0.753	78%	0.78	S	S	*	*			trans	-106.3	118.7	172.7	-71.8	-77.1	0	0	0	109.7	V370	V370-Y372 HydrophobicContact CB-CE2 4.39Å; V370-Y372 HydrophobicContact CG1-CD2 3.94Å; V370-Y372 HydrophobicContact CG1-CE2 3.41Å; V370-Y372 VanDerWaalsContact CG1-CE2 3.41Å
373	G	27.7	Very low	30.6	Very low	79 Å²	79	144.6 Å²	144.6	81%	0.814	78%	0.776	S	S	*	*			trans	-93.1	131.3	157.8	0	0	0	0	0	108.8
374	I	33.5	Very low	30.5	Very low	145 Å²	145	147.1 Å²	147.1	74%	0.744	78%	0.777	S	S	*	*			trans	-134	121.1	175.1	-41.5	177.2	0	0	0	108.1
375	S	29.8	Very low	30.3	Very low	108 Å²	108	148.2 Å²	148.2	76%	0.755	78%	0.777	S	S	*	*			trans	-108.8	124.5	173.4	53.7	0	0	0	0	109.6
376	E	34.4	Very low	30.5	Very low	183 Å²	183	147.2 Å²	147.2	86%	0.855	77%	0.773	S	S	*	*			trans	69.1	141.7	170.5	-51.5	-169.7	162.5	0	0	117.4
377	I	34.1	Very low	30.7	Very low	155 Å²	155	149 Å²	149	80%	0.795	77%	0.773	S	S	*	*			trans	-135.9	114.1	178.4	-60.1	176	0	0	0	108.2
378	P	32.9	Very low	31.1	Very low	118 Å²	118	151.9 Å²	151.9	77%	0.766	78%	0.778	S	S	*	*			trans	-76.3	145.5	167.7	31.4	-32.7	0	0	0	110.9
379	K	30.2	Very low	31.4	Very low	180 Å²	180	153.4 Å²	153.4	78%	0.783	78%	0.78	S	S	*	*			trans	-83	138.3	178.2	-63.3	179.3	179.2	-180	0	111.7
380	V	33.4	Very low	32	Very low	142 Å²	142	153.7 Å²	153.7	86%	0.861	79%	0.786	S	S	*	*			trans	-139.9	149.5	157.7	-175.1	0	0	0	0	108.1
381	D	32.7	Very low	32.5	Very low	142 Å²	142	156 Å²	156	76%	0.759	80%	0.795	S	S	*	*			trans	-92	175.1	-160.7	-81.9	-73.2	0	0	0	117.1
382	R	29.9	Very low	32.9	Very low	185 Å²	185	152.1 Å²	152.1	70%	0.698	80%	0.795	S	S	*	*			trans	-60.6	147.7	-176.6	-67.2	173.9	170.5	151.4	-6.4	114.4
383	A	30.8	Very low	33.3	Very low	104 Å²	104	146.2 Å²	146.2	86%	0.86	79%	0.793	S	S	*	*			trans	-113.8	149.2	143.7	0	0	0	0	0	109.9
384	Y	30.5	Very low	33.8	Very low	187 Å²	187	148.5 Å²	148.5	73%	0.733	79%	0.792	S	S	*	*			trans	-113.5	144.7	177.7	-100.6	-89.8	0	0	0	109.8
385	Y	32.2	Very low	34.1	Very low	228 Å²	228	150.5 Å²	150.5	89%	0.894	80%	0.798	S	S	*	*			trans	172.4	152.5	144.2	-95.4	-71.1	0	0	0	108.4
386	K	37.2	Very low	34.4	Very low	165 Å²	165	149 Å²	149	72%	0.717	80%	0.8	S	S	*	*			cis	-166.7	130.6	-48.7	176.8	-178.9	178.2	-171.6	0	106.9
387	D	32.1	Very low	34.5	Very low	152 Å²	152	145 Å²	145	81%	0.813	79%	0.792	S	S	*	*			trans	-69.6	151.9	-175.9	-59.5	-63	0	0	0	114.5
388	H	35.5	Very low	34.7	Very low	178 Å²	178	145.3 Å²	145.3	82%	0.824	79%	0.79	S	S	*	*			trans	-139.2	131.7	152.2	-100.6	-91.1	0	0	0	110.5
389	K	32.4	Very low	34.8	Very low	180 Å²	180	146.2 Å²	146.2	78%	0.783	79%	0.788	S	S	*	*			trans	-90.6	149.9	176.2	-62.3	-179.4	177.3	-175.4	0	111.5
390	V	40.8	Very low	34.8	Very low	147 Å²	147	142.4 Å²	142.4	89%	0.891	78%	0.784	S	S	*	*			trans	-140.5	145.5	143.1	-175.1	0	0	0	0	107.9
391	N	36.9	Very low	34.8	Very low	142 Å²	142	142 Å²	142	76%	0.759	78%	0.782	S	S	*	*			trans	-116.7	143.7	-178.6	-73	-9.9	0	0	0	111.8
392	G	35.9	Very low	34.7	Very low	82 Å²	82	142.9 Å²	142.9	85%	0.845	78%	0.781	S	S	*	*				91.3	138	129.8	0	0	0	0	0	120.5
393	G	36.3	Very low	34.7	Very low	69 Å²	69	144.4 Å²	144.4	71%	0.711	79%	0.793	S	S	*	*			trans	91.6	151.4	159.8	0	0	0	0	0	117.4
394	T	37.9	Very low	34.8	Very low	127 Å²	127	145.8 Å²	145.8	78%	0.779	79%	0.787	S	S	*	*			cis	-169.9	146.7	-32.7	2.3	0	0	0	0	109.1
395	E	39.4	Very low	34.8	Very low	187 Å²	187	141.5 Å²	141.5	87%	0.874	78%	0.784	S	S	*	*			trans	63.9	118	150.4	-67.8	171.6	-174.1	0	0	123.5
396	G	37.4	Very low	34.8	Very low	77 Å²	77	137.6 Å²	137.6	79%	0.794	78%	0.783	S	S	*	*			trans	80.5	166.4	139.5	0	0	0	0	0	120.5
397	S	35.6	Very low	34.6	Very low	99 Å²	99	133 Å²	133	69%	0.692	78%	0.783	S	S	*	*			cis	-174.6	141.8	-33	58.6	0	0	0	0	110.7
398	H	37.6	Very low	34.8	Very low	161 Å²	161	134.1 Å²	134.1	75%	0.745	79%	0.789	S	S	*	*			trans	63.5	155	168.7	-65.8	-75	0	0	0	116.4
399	D	36.6	Very low	34.7	Very low	137 Å²	137	129.3 Å²	129.3	73%	0.733	79%	0.787	S	S	*	*			cis	-151	-175.6	-9.3	-117.1	-11.2	0	0	0	112.3
400	S	30.1	Very low	34.8	Very low	99 Å²	99	128.5 Å²	128.5	69%	0.692	79%	0.792	S	S	*	*			trans	-46.4	154.9	-178.9	56.1	0	0	0	0	117.2
401	T	31.9	Very low	34.6	Very low	134 Å²	134	124.1 Å²	124.1	82%	0.822	78%	0.776	S	S	*	*				-161.9	160	84.1	-58.3	0	0	0	0	112.7
402	E	31.1	Very low	34.4	Very low	160 Å²	160	125 Å²	125	75%	0.748	78%	0.781	S	S	*	*			trans	-79.8	157.2	-165.4	-50.1	173.4	117.2	0	0	116.8
403	F	29.7	Very low	34.2	Very low	217 Å²	217	131.5 Å²	131.5	95%	0.952	78%	0.781	S	S	*	*			trans	-148.3	145	141.1	-111.9	-81.7	0	0	0	111.3
404	N	33.4	Very low	34	Very low	134 Å²	134	137.1 Å²	137.1	72%	0.717	79%	0.786	S	S	*	*			trans	-92.5	159.4	-174.4	-87.4	-63.1	0	0	0	112
405	S	30.4	Very low	33.6	Very low	96 Å²	96	138.4 Å²	138.4	67%	0.671	79%	0.788	S	S	*	*			cis	-171.6	168.4	1.1	47.1	0	0	0	0	112.9
406	V	33.3	Very low	33	Very low	146 Å²	146	136.1 Å²	136.1	89%	0.885	78%	0.781	S	S	*	*			trans	74.1	118.4	163.2	-167.1	0	0	0	0	118
407	G	32.8	Very low	32.7	Very low	69 Å²	69	141.1 Å²	141.1	71%	0.711	78%	0.781	S	S	*	*			trans	-178.6	32.3	176.4	0	0	0	0	0	120.2
408	N	35.9	Very low	32.3	Very low	175 Å²	175	142.4 Å²	142.4	94%	0.936	79%	0.787	S	S	*	*			trans	63.3	144.8	179.6	-65.4	-31	0	0	0	116.7
409	G	33.5	Very low	31.9	Very low	77 Å²	77	143.7 Å²	143.7	79%	0.794	79%	0.787	S	S	*	*			trans	-123.3	146.7	-168.5	0	0	0	0	0	115.9
410	D	34.8	Very low	31.4	Very low	164 Å²	164	142.9 Å²	142.9	88%	0.877	79%	0.787	S	S	*	*			trans	-82.8	117.8	-179	-73.8	-55.6	0	0	0	114	N412	D410-N412 PolarHBondContact O-N 3.49Å
411	G	35.6	Very low	31.2	Very low	54 Å²	54	143 Å²	143	56%	0.557	78%	0.783	S	S	*	*			trans	-85.4	101.4	177.2	0	0	0	0	0	113.6	Y413	G411-Y413 WeakPolarHBondContact O-CD2 2.99Å; G411-Y413 WeakPolarHBondContact O-CE2 3.4Å; G411-Y413 PolarHBondContact O-N 3.5Å
412	N	33.3	Very low	31	Very low	162 Å²	162	143.1 Å²	143.1	87%	0.866	78%	0.779	S	S	*	*			trans	-73.6	106.5	176.7	-95.7	-71.3	0	0	0	113.4	D410	D410-N412 PolarHBondContact O-N 3.49Å
413	Y	30.9	Very low	30.8	Very low	218 Å²	218	141.5 Å²	141.5	86%	0.855	78%	0.775	S	S	*	*			trans	-90.7	110.2	-178.9	-71.4	-84.4	0	0	0	114.1	G411 L415	G411-Y413 WeakPolarHBondContact O-CD2 2.99Å; G411-Y413 WeakPolarHBondContact O-CE2 3.4Å; G411-Y413 PolarHBondContact O-N 3.5Å; Y413-L415 PolarHBondContact O-N 2.93Å
414	K	32.2	Very low	30.6	Very low	187 Å²	187	139 Å²	139	81%	0.813	77%	0.77	S	S	*	*			trans	-79.1	109.8	171.6	-75.7	-178.6	177.4	174	0	112.4	N416	K414-N416 PolarHBondContact O-N 3.14Å
415	L	30	Very low	30.4	Very low	154 Å²	154	141 Å²	141	81%	0.806	77%	0.772	S	S	*	*			trans	-73.1	87.3	176.4	-110	159.2	0	0	0	112.6	Y413 K417	Y413-L415 PolarHBondContact O-N 2.93Å; L415-K417 PolarHBondContact O-N 2.87Å
416	N	27.9	Very low	30.3	Very low	139 Å²	139	140.4 Å²	140.4	74%	0.743	78%	0.781	S	S	*	*			trans	-87.3	75.1	-179.4	-82.2	-14.8	0	0	0	113.7	K414	K414-N416 PolarHBondContact O-N 3.14Å
417	K	29.5	Very low	30.3	Very low	182 Å²	182	139.3 Å²	139.3	79%	0.791	78%	0.78	S	S	*	*	S	Bend	trans	171.3	146.9	144.1	-95.2	152.2	-171.2	177.8	0	110.8	L415	L415-K417 PolarHBondContact O-N 2.87Å
418	P	29	Very low	30.3	Very low	125 Å²	125	142 Å²	142	81%	0.812	79%	0.788	S	S	*	*			trans	-69.4	161.7	171.5	31.4	-35.5	0	0	0	111.8
419	Y	29	Very low	30.2	Very low	189 Å²	189	137.6 Å²	137.6	74%	0.741	78%	0.784	S	S	*	*			trans	-130.1	145.4	167.9	56	-90	0	0	0	108.9	V421	Y419-V421 HydrophobicContact CD2-CG2 3.92Å; Y419-V421 HydrophobicContact CE2-CG2 3.98Å
420	T	25.6	Very low	30.1	Very low	119 Å²	119	138.5 Å²	138.5	73%	0.73	78%	0.784	S	S	*	*			trans	-91.6	148.9	174.6	-36	0	0	0	0	109.3
421	V	26.6	Very low	29.9	Very low	103 Å²	103	137.1 Å²	137.1	62%	0.624	78%	0.784	S	S	*	*			trans	-130.9	111.6	170.6	-179.6	0	0	0	0	107.2	Y419	Y419-V421 HydrophobicContact CD2-CG2 3.92Å; Y419-V421 HydrophobicContact CE2-CG2 3.98Å
422	D	27.1	Very low	29.6	Very low	136 Å²	136	144 Å²	144	73%	0.727	80%	0.798	S	S	*	*			trans	-92.7	122.7	178.6	-58.5	-53.1	0	0	0	109.6
423	L	25.9	Very low	29.4	Very low	126 Å²	126	140.5 Å²	140.5	66%	0.66	79%	0.791	S	S	*	*			trans	-108.8	111.1	177.9	-68.9	172.8	0	0	0	109.4	F425	L423-F425 HydrophobicContact CB-CD2 4.45Å; L423-F425 HydrophobicContact CB-CE2 3.77Å; L423-F425 HydrophobicContact CB-CZ 4.29Å; L423-F425 HydrophobicContact CD1-CE2 4.41Å; L423-F425 HydrophobicContact CD1-CZ 4.46Å
424	I	27.1	Very low	29.3	Very low	165 Å²	165	138.1 Å²	138.1	85%	0.846	79%	0.793	S	S	*	*			trans	-101	112.8	177.9	-58.2	175.3	0	0	0	108.7
425	F	28.3	Very low	29.3	Very low	175 Å²	175	132.6 Å²	132.6	77%	0.768	79%	0.79	S	S	*	*			trans	-102.6	125.6	173.3	-62.9	-81.6	0	0	0	110	L423	L423-F425 HydrophobicContact CB-CD2 4.45Å; L423-F425 HydrophobicContact CB-CE2 3.77Å; L423-F425 HydrophobicContact CB-CZ 4.29Å; L423-F425 HydrophobicContact CD1-CE2 4.41Å; L423-F425 HydrophobicContact CD1-CZ 4.46Å
426	G	28.6	Very low	29.2	Very low	83 Å²	83	129.9 Å²	129.9	86%	0.856	78%	0.78	S	S	*	*			trans	-102	128.4	172	0	0	0	0	0	111.1
427	S	33	Very low	29.2	Very low	124 Å²	124	132.6 Å²	132.6	87%	0.867	78%	0.781	S	S	*	*			trans	-125	125.1	176.6	60.3	0	0	0	0	110.9
428	S	33	Very low	29.3	Very low	125 Å²	125	132.4 Å²	132.4	87%	0.874	78%	0.78	S	S	*	*			trans	-118.1	114.4	-172.9	56.1	0	0	0	0	113.5
429	G	34.4	Very low	29.2	Very low	83 Å²	83	131.5 Å²	131.5	86%	0.856	78%	0.777	S	S	*	*			trans	88.6	133.3	157.6	0	0	0	0	0	117.2
430	A	30.3	Very low	29.3	Very low	95 Å²	95	134.2 Å²	134.2	79%	0.785	79%	0.786	S	S	*	*			trans	-147.9	128.4	166.8	0	0	0	0	0	110.3
431	P	31.8	Very low	29.7	Very low	135 Å²	135	134.4 Å²	134.4	88%	0.877	78%	0.778	S	S	*	*			trans	-84.2	179.4	175.5	33.7	-33.7	0	0	0	112.9
432	K	27.6	Very low	30.2	Very low	200 Å²	200	137.6 Å²	137.6	87%	0.87	79%	0.792	S	S	*	*			trans	-117.1	154.3	-164.1	-60.9	177.4	178.9	176.4	0	114.7
433	A	29.6	Very low	30.7	Very low	87 Å²	87	137.3 Å²	137.3	72%	0.719	79%	0.79	S	S	*	*			trans	68.3	157.5	149	0	0	0	0	0	117.3
434	N	29.4	Very low	31.4	Very low	168 Å²	168	135.2 Å²	135.2	90%	0.898	80%	0.799	S	S	*	*			cis	-151.3	148.1	-3.5	-112.9	-14.1	0	0	0	108.8
435	G	31.5	Very low	31.8	Very low	72 Å²	72	131.1 Å²	131.1	74%	0.742	80%	0.797	S	S	*	*			trans	-178.8	144.3	174.6	0	0	0	0	0	115.2
436	V	28.6	Very low	32.3	Very low	97 Å²	97	130.6 Å²	130.6	59%	0.588	80%	0.801	S	S	*	*			trans	-156.8	156	-172	161.7	0	0	0	0	111.2
437	Y	28.6	Very low	32.6	Very low	196 Å²	196	136.6 Å²	136.6	77%	0.769	80%	0.803	S	S	*	*			trans	77.2	145.2	171.3	-67.9	-38.2	0	0	0	118.6
438	K	31.2	Very low	32.8	Very low	177 Å²	177	133.9 Å²	133.9	77%	0.77	80%	0.795	S	S	*	*			cis	-147.8	169.5	-7.9	-139.7	153.2	-174	173.6	0	111.8
439	S	27.3	Very low	32.9	Very low	107 Å²	107	133.7 Å²	133.7	75%	0.748	79%	0.794	S	S	*	*			trans	-91.2	166.1	-172.2	53.8	0	0	0	0	115.3
440	R	30.8	Very low	32.6	Very low	245 Å²	245	138.6 Å²	138.6	93%	0.925	79%	0.794	S	S	*	*			trans	-147.3	134.3	142.7	-159.4	169.7	-169.7	160.2	3.9	110.4
441	E	34	Very low	32.9	Very low	124 Å²	124	142.1 Å²	142.1	58%	0.579	80%	0.8	S	S	*	*			trans	-98.4	166.9	-179	-58.5	173.9	150	0	0	111.4
442	N	37.2	Very low	32.9	Very low	170 Å²	170	141.3 Å²	141.3	91%	0.909	80%	0.798	S	S	*	*			trans	-153.2	149.8	143	-110	-23.3	0	0	0	110.6
443	N	37.4	Very low	33.1	Very low	130 Å²	130	136.7 Å²	136.7	70%	0.695	80%	0.797	S	S	*	*			trans	-106.9	160.6	-161.2	-75.2	-73.1	0	0	0	114.3
444	G	40.8	Very low	33	Very low	82 Å²	82	141.4 Å²	141.4	85%	0.845	80%	0.804	S	S	*	*			trans	179.3	119.4	163.9	0	0	0	0	0	112.9
445	G	35.7	Very low	33	Very low	78 Å²	78	143.5 Å²	143.5	80%	0.804	81%	0.805	S	S	*	*			trans	178.5	148.2	176.7	0	0	0	0	0	115.4
446	I	37.5	Very low	32.9	Very low	164 Å²	164	146.9 Å²	146.9	84%	0.841	81%	0.806	S	S	*	*			trans	-143.2	132.3	177.5	-72.1	156.7	0	0	0	104.9
447	K	35.2	Very low	32.9	Very low	209 Å²	209	147.1 Å²	147.1	91%	0.909	81%	0.812	S	S	*	*			cis	91.8	133.6	34.5	-87.6	-163	171.3	-172.4	0	115.5
448	G	36.4	Very low	33.1	Very low	68 Å²	68	143.8 Å²	143.8	70%	0.701	81%	0.812	S	S	*	*			trans	117.4	101.6	-178	0	0	0	0	0	110.2
449	S	35.2	Very low	33.3	Very low	121 Å²	121	140.8 Å²	140.8	85%	0.846	81%	0.805	S	S	*	*			cis	86.7	114.3	46	76.6	0	0	0	0	113.5
450	H	29.8	Very low	33.7	Very low	186 Å²	186	144.3 Å²	144.3	86%	0.861	81%	0.806	S	S	*	*			trans	-84.9	155.8	170.3	-75	-102.7	0	0	0	110.9
451	D	36.3	Very low	33.9	Very low	169 Å²	169	135.8 Å²	135.8	90%	0.904	80%	0.795	S	S	*	*			trans	-140.3	162.7	147.2	-93.9	-49	0	0	0	109.2
452	S	30.2	Very low	34.2	Very low	118 Å²	118	138.4 Å²	138.4	83%	0.825	81%	0.813	S	S	*	*			trans	-125.5	148.3	-167.9	51.9	0	0	0	0	113.9
453	A	32.1	Very low	34.1	Very low	103 Å²	103	133.6 Å²	133.6	85%	0.851	80%	0.803	S	S	*	*			trans	-148.6	139.7	167.5	0	0	0	0	0	110.8
454	E	27.2	Very low	34.1	Very low	185 Å²	185	137.6 Å²	137.6	86%	0.864	81%	0.814	S	S	*	*			trans	-95.4	152.5	174.4	-61.4	-179.7	119.5	0	0	111.1
455	F	29.7	Very low	33.7	Very low	213 Å²	213	140.1 Å²	140.1	93%	0.934	81%	0.809	S	S	*	*			trans	-147.9	154.4	155.2	-108.3	-80.6	0	0	0	110.8
456	N	30.8	Very low	33.5	Very low	142 Å²	142	148.3 Å²	148.3	76%	0.759	82%	0.817	S	S	*	*			trans	-99.2	145	-159.6	-76.3	-68.1	0	0	0	115.5
457	S	28	Very low	33.2	Very low	102 Å²	102	148.2 Å²	148.2	71%	0.713	81%	0.81	S	S	*	*			trans	45.3	142	140.4	67.6	0	0	0	0	122.3
458	V	32.3	Very low	32.9	Very low	127 Å²	127	146.6 Å²	146.6	77%	0.77	81%	0.811	S	S	*	*				-176.7	134.3	111.3	143.5	0	0	0	0	113.7
459	D	35.4	Very low	32.5	Very low	114 Å²	114	150 Å²	150	61%	0.61	81%	0.808	S	S	*	*			trans	68.2	143.1	154.3	-97.6	-32.5	0	0	0	127.4
460	K	35.9	Very low	32.4	Very low	180 Å²	180	152.2 Å²	152.2	78%	0.783	81%	0.805	S	S	*	*			trans	55.1	130.3	146.2	-68.4	149.9	-169.2	149.3	0	120.5
461	G	34.6	Very low	32.4	Very low	66 Å²	66	152.4 Å²	152.4	68%	0.68	80%	0.804	S	S	*	*			cis	168.8	162.3	-5.1	0	0	0	0	0	113.7
462	N	40	Very low	32	Very low	179 Å²	179	154.3 Å²	154.3	96%	0.957	80%	0.8	S	S	*	*			trans	63	138.2	177.5	-60	-21.9	0	0	0	117.6
463	G	35	Very low	32	Very low	69 Å²	69	155.5 Å²	155.5	71%	0.711	80%	0.802	S	S	*	*			cis	153.8	92.6	-13.1	0	0	0	0	0	116
464	K	37.7	Very low	31.8	Very low	214 Å²	214	156.6 Å²	156.6	93%	0.93	80%	0.798	S	S	*	*			trans	-174.8	137.7	142.2	-103.2	156.5	-172.1	177.9	0	110.5
465	N	32.1	Very low	32	Very low	136 Å²	136	153.2 Å²	153.2	73%	0.727	79%	0.786	S	S	*	*			trans	-103.4	143.8	-173.5	-63.6	-67.5	0	0	0	111.9
466	Y	32.5	Very low	32	Very low	249 Å²	249	150 Å²	150	98%	0.976	77%	0.774	S	S	*	*				-139.5	133.2	126	-77.6	-70.4	0	0	0	108.5
467	K	30.7	Very low	32.2	Very low	162 Å²	162	151.6 Å²	151.6	70%	0.704	77%	0.774	S	S	*	*			trans	-113	141	177	-83.6	-171.8	175.4	-173	0	109.7
468	L	29.3	Very low	32.5	Very low	176 Å²	176	157.2 Å²	157.2	92%	0.921	78%	0.781	S	S	*	*				-145.8	155.5	125.1	-143.2	69.6	0	0	0	109.7
469	H	28.1	Very low	32.7	Very low	139 Å²	139	155 Å²	155	64%	0.644	78%	0.784	S	S	*	*			trans	-96	150.2	-179.4	-78.1	-109.1	0	0	0	110.7
470	E	32	Very low	32.7	Very low	168 Å²	168	155.8 Å²	155.8	79%	0.785	80%	0.798	S	S	*	*			trans	-147	154	130.6	-126.9	166	-152.1	0	0	110.9
471	K	29.9	Very low	32.8	Very low	190 Å²	190	152.5 Å²	152.5	83%	0.826	80%	0.798	S	S	*	*			trans	-112.2	137.4	180	-77.7	-176.5	175.3	-178.5	0	109.2
472	Y	28.7	Very low	32.8	Very low	209 Å²	209	153.3 Å²	153.3	82%	0.82	81%	0.806	S	S	*	*			trans	-114.9	125.5	162.1	-72	-76.9	0	0	0	110.5
473	T	30.2	Very low	32.5	Very low	142 Å²	142	151.5 Å²	151.5	87%	0.871	80%	0.801	S	S	*	*			trans	-90.8	137.1	169.9	14.6	0	0	0	0	110.1
474	V	28.9	Very low	32.4	Very low	127 Å²	127	157 Å²	157	77%	0.77	81%	0.808	S	S	*	*			trans	-91.9	126.6	171.9	-179.1	0	0	0	0	108.7
475	D	31	Very low	32.2	Very low	114 Å²	114	156.4 Å²	156.4	61%	0.61	81%	0.806	S	S	*	*			trans	-119.9	100.1	-170.7	-176.1	35.3	0	0	0	110.9	K477	D475-K477 VanDerWaalsContact OD2-CE 3.31Å; D475-K477 WeakPolarHBondContact OD2-CE 3.08Å; D475-K477 IonicContact OD2-NZ 2.95Å; D475-K477 PolarHBondContact OD2-NZ 3.01Å
476	H	30	Very low	32.4	Very low	146 Å²	146	156.2 Å²	156.2	68%	0.676	81%	0.809	S	S	*	*			trans	-81.1	117.6	-178.1	-81.5	-103.8	0	0	0	111.8
477	K	33.9	Very low	32.5	Very low	175 Å²	175	151.9 Å²	151.9	76%	0.761	80%	0.803	S	S	*	*			trans	-107	105.8	179.6	-72.7	-175.4	174.4	102.3	0	112.9	D475	D475-K477 VanDerWaalsContact OD2-CE 3.31Å; D475-K477 WeakPolarHBondContact OD2-CE 3.08Å; D475-K477 IonicContact OD2-NZ 2.95Å; D475-K477 PolarHBondContact OD2-NZ 3.01Å
478	Y	35.3	Very low	32.6	Very low	220 Å²	220	147.8 Å²	147.8	86%	0.863	81%	0.807	S	S	*	*			trans	-96.9	143.4	160.8	-68.9	-89	0	0	0	109.9
479	G	35	Very low	32.7	Very low	81 Å²	81	144.5 Å²	144.5	84%	0.835	81%	0.805	S	S	*	*			trans	-136.8	115.3	175.9	0	0	0	0	0	110.5
480	S	37.1	Very low	32.7	Very low	129 Å²	129	148.3 Å²	148.3	90%	0.902	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-93.4	148	-177.2	46.8	0	0	0	0	112.5
481	S	36.1	Very low	32.8	Very low	112 Å²	112	151.7 Å²	151.7	78%	0.783	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-97.7	122.3	-177.1	55.8	0	0	0	0	112.5
482	G	35.6	Very low	32.9	Very low	83 Å²	83	150.7 Å²	150.7	86%	0.856	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-80.8	144.9	170.9	0	0	0	0	0	113.1
483	V	33.6	Very low	33	Very low	140 Å²	140	145.9 Å²	145.9	85%	0.848	81%	0.807	S	S	*	*			trans	-120.4	142.1	-179.7	177.1	0	0	0	0	110.2
484	Q	32	Very low	33.2	Very low	184 Å²	184	148.1 Å²	148.1	86%	0.86	81%	0.807	S	S	*	*			trans	-80.6	145.9	-179.9	-62.5	173.7	-25.1	0	0	113
485	K	34.6	Very low	33.2	Very low	203 Å²	203	149.3 Å²	149.3	88%	0.883	80%	0.804	S	S	*	*				-159.5	173.6	128.1	-119.4	-178.5	-179.9	-173.1	0	113.4
486	V	35.8	Very low	33.5	Very low	131 Å²	131	150.6 Å²	150.6	79%	0.794	82%	0.816	S	S	*	*			trans	-102.8	165.1	-162.7	178.9	0	0	0	0	111.6
487	D	34.7	Very low	33.7	Very low	159 Å²	159	149.3 Å²	149.3	85%	0.85	81%	0.814	S	S	*	*			trans	-55.6	160.7	-168.8	-47.9	-87.4	0	0	0	117.7
488	G	32.7	Very low	34.1	Very low	76 Å²	76	144.9 Å²	144.9	78%	0.784	82%	0.817	S	S	*	*			trans	164.8	89.3	163.3	0	0	0	0	0	118.4
489	A	32.7	Very low	34	Very low	107 Å²	107	137.7 Å²	137.7	88%	0.884	81%	0.811	S	S	*	*			trans	68.3	162.8	154.1	0	0	0	0	0	121.1
490	Y	28.2	Very low	34.3	Very low	219 Å²	219	139.6 Å²	139.6	86%	0.859	81%	0.806	S	S	*	*			trans	-95.7	150.9	-174.4	-73.6	-119.8	0	0	0	112.3
491	Y	32.4	Very low	34.2	Very low	239 Å²	239	143.9 Å²	143.9	94%	0.937	81%	0.809	S	S	*	*				-177.2	179.2	116	-103.2	-69.2	0	0	0	111.7
492	K	32.3	Very low	34.2	Very low	168 Å²	168	142.2 Å²	142.2	73%	0.73	81%	0.809	S	S	*	*			trans	-94.3	152.1	-158.9	-103.8	178.7	154.8	-97.3	0	116.1
493	D	30.9	Very low	34.2	Very low	109 Å²	109	141.7 Å²	141.7	58%	0.583	80%	0.803	S	S	*	*			trans	43.7	117.5	141.1	-45.8	-20	0	0	0	121.6
494	H	34.4	Very low	34.2	Very low	189 Å²	189	144.2 Å²	144.2	88%	0.875	81%	0.806	S	S	*	*				-165.4	160.5	115.7	-105.7	-69.3	0	0	0	111.6
495	E	28.9	Very low	34.3	Very low	151 Å²	151	143.4 Å²	143.4	71%	0.706	81%	0.807	S	S	*	*			trans	-96.1	167.9	-165.7	-55.7	172.8	88	0	0	115.2
496	V	36.8	Very low	34.2	Very low	142 Å²	142	139.5 Å²	139.5	86%	0.861	81%	0.805	S	S	*	*				-177.6	155.6	122.4	146.4	0	0	0	0	110.2
497	N	35.1	Very low	34.1	Very low	119 Å²	119	137 Å²	137	64%	0.636	80%	0.799	S	S	*	*			trans	-94.5	158.2	-166.6	-50.4	-84.4	0	0	0	115	K541	N497-K541 PolarHBondContact OD1-NZ 2.92Å
498	G	41.2	Very low	34	Very low	81 Å²	81	136.6 Å²	136.6	84%	0.835	79%	0.792	S	S	*	*			trans	164.7	149.9	163.8	0	0	0	0	0	113.3
499	G	34.7	Very low	33.8	Very low	70 Å²	70	142.7 Å²	142.7	72%	0.722	80%	0.797	S	S	*	*			trans	166.3	158.1	172.8	0	0	0	0	0	116.4
500	T	40.5	Very low	33.8	Very low	121 Å²	121	142.3 Å²	142.3	74%	0.742	78%	0.78	S	S	*	*			trans	-149.7	165.4	173.8	19.1	0	0	0	0	111.2
501	K	35.7	Very low	34.1	Very low	219 Å²	219	136.6 Å²	136.6	95%	0.952	77%	0.772	S	S	*	*			trans	-88.8	143.4	-177.3	-60.9	179.6	179.3	-177.7	0	111.7
502	G	35	Very low	34.1	Very low	76 Å²	76	130.2 Å²	130.2	78%	0.784	76%	0.758	S	S	*	*			trans	-138.4	118.6	166.5	0	0	0	0	0	110.6
503	G	35.8	Very low	34.3	Very low	72 Å²	72	124.4 Å²	124.4	74%	0.742	75%	0.746	S	S	*	*			trans	-90.9	153.2	169.2	0	0	0	0	0	110.7
504	H	33	Very low	34.5	Very low	194 Å²	194	124.7 Å²	124.7	90%	0.898	75%	0.747	S	S	*	*			trans	-117.4	92.5	173.3	-93.1	-74.1	0	0	0	110.3
505	D	35.7	Very low	34.6	Very low	167 Å²	167	118.4 Å²	118.4	89%	0.893	73%	0.728	S	S	*	*			trans	-77.5	132.5	167	-67	-46.9	0	0	0	110.4
506	S	32.5	Very low	35.3	Very low	120 Å²	120	119.2 Å²	119.2	84%	0.839	74%	0.737	S	S	*	*			trans	-99.7	104.9	172.4	58.2	0	0	0	0	110.1
507	A	33.8	Very low	35.6	Very low	80 Å²	80	115.5 Å²	115.5	66%	0.661	73%	0.728	S	S	*	*			trans	-77.9	123.8	-178.4	0	0	0	0	0	112.6	F509	A507-F509 HydrophobicContact CB-CE2 4.27Å; A507-F509 PolarHBondContact O-N 3.47Å
508	E	30.8	Very low	35.7	Very low	150 Å²	150	115.5 Å²	115.5	70%	0.701	72%	0.722	S	S	*	*			trans	-73.9	119.3	161.5	-81	-157.4	147.8	0	0	110.3	N510	E508-N510 PolarHBondContact O-N 3.15Å; E508-N510 PolarHBondContact OE2-ND2 3.46Å
509	F	29.7	Very low	35.4	Very low	203 Å²	203	117.6 Å²	117.6	89%	0.89	71%	0.714	S	S	*	*			trans	-87.1	89.6	167.3	-84.2	-89.9	0	0	0	111	A507 S511	A507-F509 HydrophobicContact CB-CE2 4.27Å; A507-F509 PolarHBondContact O-N 3.47Å; F509-S511 PolarHBondContact O-N 3.08Å
510	N	33.2	Very low	35.4	Very low	99 Å²	99	120.7 Å²	120.7	53%	0.529	71%	0.705	S	S	.	*			trans	-78.9	105.4	169.4	-77.2	-77.2	0	0	0	110.1	E508	E508-N510 PolarHBondContact O-N 3.15Å; E508-N510 PolarHBondContact OE2-ND2 3.46Å
511	S	33.6	Very low	35.2	Very low	100 Å²	100	122.5 Å²	122.5	70%	0.699	70%	0.703	S	S	*	*			trans	-100	125.8	173.7	-177.8	0	0	0	0	110.8	F509	F509-S511 PolarHBondContact O-N 3.08Å
512	V	33.5	Very low	35.1	Very low	105 Å²	105	116.8 Å²	116.8	64%	0.636	69%	0.686	S	S	*	*			trans	-111.3	94.8	177.5	-176.6	0	0	0	0	109.3	N519	V512-N519 HydrophobicContact CG1-CB 4.41Å
513	G	36.6	Very low	34.9	Very low	46 Å²	46	117.6 Å²	117.6	47%	0.474	68%	0.676	S	S	.	*			trans	-85.4	118.2	170.6	0	0	0	0	0	111.1
514	N	33.2	Very low	34.5	Very low	114 Å²	114	120.8 Å²	120.8	61%	0.61	67%	0.673	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-93.6	111.1	170.6	-178.8	3.9	0	0	0	109.9	G517	N514-G517 WeakPolarHBondContact OD1-CA 3.47Å; N514-G517 PolarHBondContact OD1-N 3.42Å; N514-G517 VanDerWaalsContact OD1-N 3.12Å
515	A	38.1	Very low	34.4	Very low	58 Å²	58	118.4 Å²	118.4	48%	0.479	67%	0.667	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.9	126.8	165.9	0	0	0	0	0	108.6	G517	A515-G517 VanDerWaalsContact C-N 3.3Å; A515-G517 PolarHBondContact O-N 3.36Å
516	N	42.3	Very low	34.1	Very low	168 Å²	168	117.2 Å²	117.2	90%	0.898	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	54.4	38.6	179.8	-57.5	-19.7	0	0	0	114.6	K518	N516-K518 PolarHBondContact O-N 2.9Å
517	G	42.7	Very low	34	Very low	64 Å²	64	119.6 Å²	119.6	66%	0.66	66%	0.655	S	S	*	*	T	Hydrogen-bonded Turn	trans	72	26.8	170.3	0	0	0	0	0	114.6	N514 A515	N514-G517 WeakPolarHBondContact OD1-CA 3.47Å; N514-G517 PolarHBondContact OD1-N 3.42Å; N514-G517 VanDerWaalsContact OD1-N 3.12Å; A515-G517 VanDerWaalsContact C-N 3.3Å; A515-G517 PolarHBondContact O-N 3.36Å
518	K	37.7	Very low	33.8	Very low	118 Å²	118	124.8 Å²	124.8	51%	0.513	66%	0.659	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.1	127.8	177.6	-68	-178.9	-177.2	175.5	0	110.6	N516 Y520	N516-K518 PolarHBondContact O-N 2.9Å; K518-Y520 HydrophobicContact CB-CE2 3.77Å; K518-Y520 VanDerWaalsContact O-CD2 3.26Å; K518-Y520 WeakPolarHBondContact O-CD2 3.46Å; K518-Y520 VanDerWaalsContact O-CE2 3.28Å; K518-Y520 WeakPolarHBondContact O-CE2 3.47Å
519	N	35.7	Very low	33.9	Very low	125 Å²	125	121 Å²	121	67%	0.668	66%	0.661	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-83	133	171.8	-64	-20.3	0	0	0	109.2	V512	V512-N519 HydrophobicContact CG1-CB 4.41Å
520	Y	33.5	Very low	34.2	Very low	136 Å²	136	117.3 Å²	117.3	53%	0.533	66%	0.66	S	S	.	*			trans	-116.2	130.6	176	-62.4	-91.4	0	0	0	109.4	K518	K518-Y520 HydrophobicContact CB-CE2 3.77Å; K518-Y520 VanDerWaalsContact O-CD2 3.26Å; K518-Y520 WeakPolarHBondContact O-CD2 3.46Å; K518-Y520 VanDerWaalsContact O-CE2 3.28Å; K518-Y520 WeakPolarHBondContact O-CE2 3.47Å
521	K	37.6	Very low	34.3	Very low	159 Å²	159	120.1 Å²	120.1	69%	0.691	67%	0.673	S	S	*	*			trans	-92.9	119.3	167.6	-178.3	168.9	-178.2	167	0	108.8
522	V	32.6	Very low	34.2	Very low	99 Å²	99	118.9 Å²	118.9	60%	0.6	68%	0.677	S	S	*	*			trans	-107.4	133.4	170.7	-178.9	0	0	0	0	108	M524	V522-M524 HydrophobicContact CG1-CE 4.2Å; V522-M524 HydrophobicContact CG1-CG 4.33Å
523	T	32.2	Very low	34.1	Very low	93 Å²	93	120.6 Å²	120.6	57%	0.571	69%	0.687	S	S	*	*			trans	-125.8	118.6	175.7	-62.4	0	0	0	0	108.3
524	M	27.5	Very low	34	Very low	138 Å²	138	125.6 Å²	125.6	68%	0.68	70%	0.698	S	S	*	*			trans	-106.6	122.1	177.3	-64.9	-176.5	-177.7	0	0	109.4	V522 F526	V522-M524 HydrophobicContact CG1-CE 4.2Å; V522-M524 HydrophobicContact CG1-CG 4.33Å; M524-F526 HydrophobicContact CB-CD2 4.42Å; M524-F526 HydrophobicContact CB-CE2 3.78Å; M524-F526 HydrophobicContact CB-CZ 4.28Å; M524-F526 HydrophobicContact SD-CZ 4.26Å
525	N	30.6	Very low	33.9	Very low	145 Å²	145	129.3 Å²	129.3	78%	0.775	71%	0.709	S	S	*	*			trans	-100.2	113.1	175.2	-68	-26.4	0	0	0	109.4
526	F	28.3	Very low	33.6	Very low	142 Å²	142	132.5 Å²	132.5	62%	0.623	72%	0.722	S	S	*	*			trans	-93.9	117.9	176	-66.3	-90	0	0	0	110.7	M524 Y528	M524-F526 HydrophobicContact CB-CD2 4.42Å; M524-F526 HydrophobicContact CB-CE2 3.78Å; M524-F526 HydrophobicContact CB-CZ 4.28Å; M524-F526 HydrophobicContact SD-CZ 4.26Å; F526-Y528 HydrophobicContact CB-CD2 3.88Å; F526-Y528 HydrophobicContact CB-CE2 3.55Å; F526-Y528 HydrophobicContact CD1-CE2 4.37Å; F526-Y528 HydrophobicContact CG-CE2 4.13Å; F526-Y528 PolarHBondContact O-N 3.44Å
527	I	30.6	Very low	33.3	Very low	170 Å²	170	131.6 Å²	131.6	87%	0.872	72%	0.717	S	S	*	*			trans	-95.1	91.9	172.8	-55.8	178.3	0	0	0	108.3
528	Y	30.8	Very low	33	Very low	189 Å²	189	134.2 Å²	134.2	74%	0.741	72%	0.72	S	S	*	*			trans	-80.8	117.5	173	-76	-80	0	0	0	110.7	F526 S530	F526-Y528 HydrophobicContact CB-CD2 3.88Å; F526-Y528 HydrophobicContact CB-CE2 3.55Å; F526-Y528 HydrophobicContact CD1-CE2 4.37Å; F526-Y528 HydrophobicContact CG-CE2 4.13Å; F526-Y528 PolarHBondContact O-N 3.44Å; Y528-S530 PolarHBondContact O-N 3.39Å
529	G	31.5	Very low	33.2	Very low	71 Å²	71	132.1 Å²	132.1	73%	0.732	73%	0.732	S	S	*	*			trans	-76.5	114.1	171.5	0	0	0	0	0	111.3	I531	G529-I531 PolarHBondContact O-N 3.32Å
530	S	36.3	Very low	33.3	Very low	124 Å²	124	136.1 Å²	136.1	87%	0.867	74%	0.739	S	S	*	*			trans	-66.8	115.4	-174.7	-49.9	0	0	0	0	113.1	Y528	Y528-S530 PolarHBondContact O-N 3.39Å
531	I	35.8	Very low	33.6	Very low	158 Å²	158	136.8 Å²	136.8	81%	0.81	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-73.3	142.2	163.5	-62.9	175.2	0	0	0	108.4	G529 V533	G529-I531 PolarHBondContact O-N 3.32Å; I531-V533 PolarHBondContact O-N 3.37Å
532	G	30.8	Very low	33.7	Very low	75 Å²	75	139.5 Å²	139.5	77%	0.773	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-61.6	129	-169.7	0	0	0	0	0	114.5
533	V	31.3	Very low	34.2	Very low	140 Å²	140	142.4 Å²	142.4	85%	0.848	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-92.5	149.7	176.8	-178.9	0	0	0	0	110.6	I531	I531-V533 PolarHBondContact O-N 3.37Å
534	Q	34.9	Very low	34.8	Very low	152 Å²	152	147.1 Å²	147.1	71%	0.71	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-74	163.5	-174.5	-63.2	171.7	-5.5	0	0	112.8	V536	Q534-V536 PolarHBondContact O-N 3.18Å
535	K	32.3	Very low	36.1	Very low	192 Å²	192	145.6 Å²	145.6	84%	0.835	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-58.6	131.7	173.5	-76.9	-172.2	173	-170.3	0	110.9
536	V	30.6	Very low	37	Very low	124 Å²	124	144.5 Å²	144.5	75%	0.752	77%	0.773	S	S	*	*			trans	-118.1	119.9	162.3	-179.1	0	0	0	0	107.4	Q534	Q534-V536 PolarHBondContact O-N 3.18Å
537	N	36.7	Very low	38.2	Very low	149 Å²	149	145.8 Å²	145.8	80%	0.797	78%	0.781	S	S	*	*			trans	-90.8	131.1	171.8	-77.7	-2.9	0	0	0	108.9
538	V	35.1	Very low	39.4	Very low	119 Å²	119	142.7 Å²	142.7	72%	0.721	77%	0.769	S	S	*	*			trans	-100.9	118.5	174.1	-179.1	0	0	0	0	108.4
539	G	42.2	Very low	40.4	Very low	75 Å²	75	142.8 Å²	142.8	77%	0.773	77%	0.769	S	S	*	*			trans	-106	131.2	174.9	0	0	0	0	0	111.1
540	Y	38.1	Very low	41.6	Very low	208 Å²	208	146.5 Å²	146.5	82%	0.816	77%	0.768	S	S	*	*			trans	-82.4	146.8	173.3	-53.4	-89	0	0	0	109.9
541	K	39.3	Very low	42.6	Very low	150 Å²	150	144 Å²	144	65%	0.652	75%	0.745	S	S	*	*			trans	-118.1	126.1	166.4	-140.9	175.3	-170.6	-178.6	0	108.3	N497	N497-K541 PolarHBondContact OD1-NZ 2.92Å
542	Y	40.3	Very low	43.6	Very low	217 Å²	217	143.1 Å²	143.1	85%	0.851	73%	0.732	S	S	*	*			trans	-73.2	145.2	177	-80.7	-97.7	0	0	0	110.3
543	H	44	Very low	44.9	Very low	159 Å²	159	145.8 Å²	145.8	74%	0.736	73%	0.725	S	S	*	*			trans	-97.1	126.1	161.7	-111.1	-108.9	0	0	0	107.5	D545	H543-D545 VanDerWaalsContact C-N 3.32Å; H543-D545 IonicContact CG-OD2 3.79Å; H543-D545 IonicContact ND1-OD2 3.29Å; H543-D545 PolarHBondContact ND1-OD2 3.35Å; H543-D545 PolarHBondContact O-N 3.39Å
544	E	45.1	Very low	46.2	Very low	193 Å²	193	148.1 Å²	148.1	90%	0.902	72%	0.718	S	S	*	*			trans	-90.5	65.3	177	-67.6	-172.2	136.3	0	0	110.7
545	D	53.2	Low	47.2	Very low	105 Å²	105	147.6 Å²	147.6	56%	0.561	71%	0.71	S	S	*	*			trans	-86.7	118	173.1	-65.1	-52.7	0	0	0	109.4	H543 H547	H543-D545 VanDerWaalsContact C-N 3.32Å; H543-D545 IonicContact CG-OD2 3.79Å; H543-D545 IonicContact ND1-OD2 3.29Å; H543-D545 PolarHBondContact ND1-OD2 3.35Å; H543-D545 PolarHBondContact O-N 3.39Å; D545-H547 PolarHBondContact O-N 3.1Å
546	S	49.8	Very low	48.3	Very low	123 Å²	123	145 Å²	145	86%	0.86	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	32.6	-161.8	58.5	0	0	0	0	116.6
547	H	53.4	Low	49.6	Very low	169 Å²	169	142.6 Å²	142.6	78%	0.782	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-1.3	176.2	-78.6	-75.4	0	0	0	114.6	D545 Y549	D545-H547 PolarHBondContact O-N 3.1Å; H547-Y549 VanDerWaalsContact C-N 3.32Å; H547-Y549 PolarHBondContact O-N 2.86Å
548	V	56	Low	50.6	Low	104 Å²	104	138.5 Å²	138.5	63%	0.63	68%	0.682	S	S	*	*	H	α-helix	trans	-68.8	-19.9	-168.3	-179.5	0	0	0	0	115	Y552	V548-Y552 PolarHBondContact O-N 3.39Å; V548-Y552 VanDerWaalsContact O-N 3.16Å
549	Y	52.8	Low	51.7	Low	191 Å²	191	139 Å²	139	75%	0.749	68%	0.678	S	S	*	*	H	α-helix	trans	-74.7	-37.1	-169.2	-130.6	-86.1	0	0	0	114.9	H547 Y552 E553	H547-Y549 VanDerWaalsContact C-N 3.32Å; H547-Y549 PolarHBondContact O-N 2.86Å; Y549-Y552 WeakPolarHBondContact O-CB 3.47Å; Y549-Y552 PolarHBondContact O-N 2.03Å; Y549-E553 PolarHBondContact O-N 3.23Å
550	E	55.2	Low	52.9	Low	150 Å²	150	141.1 Å²	141.1	70%	0.701	67%	0.672	S	S	*	*	H	α-helix	trans	-70.9	-32.8	176.9	-66.3	-167	163.4	0	0	112.5	Y552 R554	E550-Y552 VanDerWaalsContact C-N 3.31Å; E550-R554 WeakPolarHBondContact O-CB 3.32Å; E550-R554 PolarHBondContact O-N 2.97Å
551	D	58.9	Low	55	Low	71 Å²	71	136.2 Å²	136.2	38%	0.38	66%	0.66	S	S	.	*	H	α-helix	trans	-70	-31.5	175.5	-160.5	-1.8	0	0	0	110.8	R554 R555	D551-R554 PolarHBondContact O-N 2.98Å; D551-R555 WeakPolarHBondContact O-CB 3.42Å; D551-R555 WeakPolarHBondContact O-CD 3.3Å; D551-R555 WeakPolarHBondContact O-CG 3.37Å; D551-R555 PolarHBondContact O-N 2.93Å; D551-R555 IonicContact OD1-CZ 2.77Å; D551-R555 IonicContact OD1-NE 3.53Å; D551-R555 PolarHBondContact OD1-NE 3.04Å; D551-R555 IonicContact OD1-NH2 2.67Å; D551-R555 IonicContact OD2-CZ 3.38Å; D551-R555 IonicContact OD2-NE 3.37Å; D551-R555 PolarHBondContact OD2-NE 2.72Å; D551-R555 IonicContact OD2-NH2 2.74Å; D551-R555 PolarHBondContact OD2-NH2 3.38Å
552	Y	56.6	Low	57.6	Low	140 Å²	140	129.3 Å²	129.3	55%	0.549	63%	0.631	S	S	.	*	H	α-helix	trans	-62	-47.9	175.5	-167.1	-98.7	0	0	0	112.6	V548 Y549 E550 R555 K556	V548-Y552 PolarHBondContact O-N 3.39Å; V548-Y552 VanDerWaalsContact O-N 3.16Å; Y549-Y552 WeakPolarHBondContact O-CB 3.47Å; Y549-Y552 PolarHBondContact O-N 2.03Å; E550-Y552 VanDerWaalsContact C-N 3.31Å; Y552-R555 PolarHBondContact O-N 2.93Å; Y552-K556 WeakPolarHBondContact O-CB 3.48Å; Y552-K556 PolarHBondContact O-N 3.16Å
553	E	57.8	Low	60.2	Low	131 Å²	131	119.3 Å²	119.3	61%	0.612	59%	0.593	S	S	*	*	H	α-helix	trans	-70.1	-37.9	177.9	-63.1	-132.9	123.9	0	0	112.2	Y549 R555 K556	Y549-E553 PolarHBondContact O-N 3.23Å; E553-R555 VanDerWaalsContact C-N 3.3Å; E553-R555 PolarHBondContact O-N 2.87Å; E553-K556 WeakPolarHBondContact O-CB 3.42Å; E553-K556 PolarHBondContact O-N 2.78Å; E553-K556 VanDerWaalsContact O-N 3.13Å
554	R	57.2	Low	62.5	Low	189 Å²	189	117.7 Å²	117.7	71%	0.713	59%	0.59	S	S	*	*	H	α-helix	trans	-63.7	-34.3	177.2	-160.9	176.4	-63.3	171.4	5.2	112.6	E550 D551	E550-R554 WeakPolarHBondContact O-CB 3.32Å; E550-R554 PolarHBondContact O-N 2.97Å; D551-R554 PolarHBondContact O-N 2.98Å
555	R	56	Low	64.8	Low	141 Å²	141	109 Å²	109	53%	0.532	55%	0.549	S	S	.	.	H	α-helix	trans	-74.6	-31.3	172.3	-69.1	167.8	-169.1	-145.1	7.1	113.3	D551 Y552 E553 G557 S558 M559	D551-R555 WeakPolarHBondContact O-CB 3.42Å; D551-R555 WeakPolarHBondContact O-CD 3.3Å; D551-R555 WeakPolarHBondContact O-CG 3.37Å; D551-R555 PolarHBondContact O-N 2.93Å; D551-R555 IonicContact OD1-CZ 2.77Å; D551-R555 IonicContact OD1-NE 3.53Å; D551-R555 PolarHBondContact OD1-NE 3.04Å; D551-R555 IonicContact OD1-NH2 2.67Å; D551-R555 IonicContact OD2-CZ 3.38Å; D551-R555 IonicContact OD2-NE 3.37Å; D551-R555 PolarHBondContact OD2-NE 2.72Å; D551-R555 IonicContact OD2-NH2 2.74Å; D551-R555 PolarHBondContact OD2-NH2 3.38Å; Y552-R555 PolarHBondContact O-N 2.93Å; E553-R555 VanDerWaalsContact C-N 3.3Å; E553-R555 PolarHBondContact O-N 2.87Å; R555-G557 PolarHBondContact O-N 2.84Å; R555-S558 PolarHBondContact O-N 3.1Å; R555-S558 PolarHBondContact O-OG 3.17Å; R555-M559 PolarHBondContact O-N 2.66Å
556	K	56.5	Low	66.7	Low	136 Å²	136	110 Å²	110	59%	0.591	56%	0.555	S	S	*	*	H	α-helix	trans	-62.8	-25.5	-179.5	-155.1	174.4	-176.6	-176.7	0	112.6	Y552 E553	Y552-K556 WeakPolarHBondContact O-CB 3.48Å; Y552-K556 PolarHBondContact O-N 3.16Å; E553-K556 WeakPolarHBondContact O-CB 3.42Å; E553-K556 PolarHBondContact O-N 2.78Å; E553-K556 VanDerWaalsContact O-N 3.13Å
557	G	57	Low	68.7	Low	75 Å²	75	107.5 Å²	107.5	77%	0.773	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.1	173.2	0	0	0	0	0	116.3	R555	R555-G557 PolarHBondContact O-N 2.84Å
558	S	58.6	Low	70.6	Confident	62 Å²	62	103 Å²	103	43%	0.434	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.8	-3	-176.9	70.4	0	0	0	0	114.8	R555 D560	R555-S558 PolarHBondContact O-N 3.1Å; R555-S558 PolarHBondContact O-OG 3.17Å; S558-D560 VanDerWaalsContact C-N 3.26Å; S558-D560 PolarHBondContact O-N 2.89Å
559	M	58.6	Low	72.4	Confident	131 Å²	131	103.9 Å²	103.9	65%	0.645	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-12	-178.7	-78.1	-172.5	168.8	0	0	114.5	R555 I593	R555-M559 PolarHBondContact O-N 2.66Å; M559-I593 WeakPolarHBondContact O-CD1 3.31Å
560	D	66.5	Low	74.3	Confident	118 Å²	118	98.1 Å²	98.1	63%	0.631	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	-1.3	-175.6	-97.3	-45	0	0	0	115.6	S558 F573 K588	S558-D560 VanDerWaalsContact C-N 3.26Å; S558-D560 PolarHBondContact O-N 2.89Å; D560-F573 VanDerWaalsContact O-CE2 3.3Å; D560-F573 WeakPolarHBondContact O-CE2 3.33Å; D560-K588 IonicContact OD1-NZ 3.57Å; D560-K588 PolarHBondContact OD1-NZ 2.79Å
561	D	83.3	Confident	76.2	Confident	106 Å²	106	91 Å²	91	57%	0.567	48%	0.475	S	S	*	.	S	Bend	trans	-103.1	-25.2	-174.4	-91.7	-3.8	0	0	0	115.5	K572 F573	D561-K572 WeakPolarHBondContact O-CA 3.35Å; D561-F573 WeakPolarHBondContact O-CD2 3.35Å; D561-F573 PolarHBondContact O-N 3.32Å; D561-F573 VanDerWaalsContact O-N 3.13Å
562	G	92.7	Very high	78	Confident	5 Å²	5	93.7 Å²	93.7	5%	0.052	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.1	-164.8	-170.1	0	0	0	0	0	118.3	H570 L571	G562-H570 VanDerWaalsContact C-CE1 3.41Å; G562-H570 VanDerWaalsContact CA-NE2 3.34Å; G562-H570 WeakPolarHBondContact CA-NE2 3.25Å; G562-H570 PolarHBondContact N-NE2 2.8Å; G562-L571 CarbonylContact C-O 3.53Å; G562-L571 WeakPolarHBondContact CA-O 3.01Å
563	C	94.7	Very high	79.8	Confident	7 Å²	7	90.2 Å²	90.2	5%	0.047	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	-173.2	-51.4	0	0	0	0	111.2	L571 C586 I593 A594 T595	C563-L571 PolarHBondContact N-O 2.84Å; C563-L571 WeakPolarHBondContact O-CB 3.48Å; C563-L571 PolarHBondContact O-N 2.8Å; C563-C586 HydrophobicContact CB-CB 3.75Å; C563-C586 WeakPolarHBondContact CB-SG 3.25Å; C563-C586 PolarHBondContact N-SG 2.88Å; C563-C586 WeakPolarHBondContact SG-CA 3.26Å; C563-C586 WeakPolarHBondContact SG-CB 3.01Å; C563-C586 CovalentContact SG-SG 2.04Å; C563-C586 PolarHBondContact SG-SG 3.36Å; C563-I593 HydrophobicContact CB-CG2 4.06Å; C563-I593 WeakPolarHBondContact SG-CG2 3.49Å; C563-A594 PolarHBondContact SG-O 3.12Å; C563-T595 HydrophobicContact CB-CG2 3.86Å
564	D	93.6	Very high	81.6	Confident	125 Å²	125	86 Å²	86	67%	0.668	46%	0.463	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	139.6	167.8	-57.1	-46.1	0	0	0	111	H570	D564-H570 IonicContact OD1-CE1 2.76Å; D564-H570 IonicContact OD1-CG 2.65Å; D564-H570 IonicContact OD1-ND1 3.58Å; D564-H570 PolarHBondContact OD1-ND1 2.84Å
565	V	93.6	Very high	83.5	Confident	9 Å²	9	79.9 Å²	79.9	6%	0.055	44%	0.442	C	S	.	.			trans	-118.5	160.8	172	-71.8	0	0	0	0	112.3	S567 G568 R569 L571 Y577 T595	V565-S567 PolarHBondContact O-N 2.89Å; V565-G568 PolarHBondContact O-N 3.45Å; V565-R569 HydrophobicContact CG2-CB 4.17Å; V565-R569 VanDerWaalsContact CG2-O 3.24Å; V565-R569 WeakPolarHBondContact CG2-O 3.36Å; V565-R569 PolarHBondContact N-O 2.82Å; V565-L571 HydrophobicContact CB-CD1 4.44Å; V565-L571 HydrophobicContact CG1-CD1 3.52Å; V565-L571 HydrophobicContact CG1-CG 4.34Å; V565-L571 HydrophobicContact CG2-CD1 4.04Å; V565-L571 HydrophobicContact CG2-CG 4.15Å; V565-Y577 HydrophobicContact CB-CD1 4.22Å; V565-Y577 HydrophobicContact CB-CE1 4.2Å; V565-Y577 HydrophobicContact CG1-CD1 4.12Å; V565-Y577 HydrophobicContact CG2-CD1 4.01Å; V565-Y577 HydrophobicContact CG2-CD2 4.32Å; V565-Y577 HydrophobicContact CG2-CE1 3.98Å; V565-Y577 HydrophobicContact CG2-CE2 4.29Å; V565-Y577 HydrophobicContact CG2-CG 4.18Å; V565-T595 HydrophobicContact CG1-CG2 4Å
566	D	91.4	Very high	85.5	Confident	128 Å²	128	76.9 Å²	76.9	68%	0.684	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-16.2	-172	-43.1	23	0	0	0	115.2	K579	D566-K579 IonicContact OD1-NZ 2.74Å; D566-K579 PolarHBondContact OD1-NZ 2.97Å; D566-K579 WeakPolarHBondContact OD2-CE 3.28Å; D566-K579 IonicContact OD2-NZ 3.69Å; D566-K579 PolarHBondContact OD2-NZ 3.44Å
567	S	92.6	Very high	87.4	Confident	69 Å²	69	73.4 Å²	73.4	48%	0.483	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	5	175.3	51.5	0	0	0	0	114.3	V565 R569 Y577	V565-S567 PolarHBondContact O-N 2.89Å; S567-R569 PolarHBondContact O-N 2.81Å; S567-Y577 WeakPolarHBondContact CB-OH 3.4Å; S567-Y577 PolarHBondContact OG-OH 2.84Å
568	G	92.7	Very high	89.3	Confident	74 Å²	74	76.7 Å²	76.7	76%	0.763	41%	0.412	S	S	*	.	S	Bend	trans	75.9	5.5	-175.9	0	0	0	0	0	114.4	V565	V565-G568 PolarHBondContact O-N 3.45Å
569	R	93.5	Very high	91	Very high	123 Å²	123	77.6 Å²	77.6	46%	0.464	41%	0.409	S	S	.	.			trans	-84.2	130.6	174	173.2	170.2	172.6	-177.6	-8.2	110.5	V565 S567 L571 E575	V565-R569 HydrophobicContact CG2-CB 4.17Å; V565-R569 VanDerWaalsContact CG2-O 3.24Å; V565-R569 WeakPolarHBondContact CG2-O 3.36Å; V565-R569 PolarHBondContact N-O 2.82Å; S567-R569 PolarHBondContact O-N 2.81Å; R569-L571 HydrophobicContact CG-CD2 4.01Å; R569-E575 IonicContact CZ-OE2 4Å; R569-E575 IonicContact NE-OE2 2.84Å; R569-E575 IonicContact NH2-OE2 2.75Å; R569-E575 PolarHBondContact NH2-OE2 3.46Å
570	H	93.8	Very high	92.8	Very high	71 Å²	71	73.9 Å²	73.9	33%	0.329	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	136.4	162	-164.5	79.5	0	0	0	110.4	G562 D564	G562-H570 VanDerWaalsContact C-CE1 3.41Å; G562-H570 VanDerWaalsContact CA-NE2 3.34Å; G562-H570 WeakPolarHBondContact CA-NE2 3.25Å; G562-H570 PolarHBondContact N-NE2 2.8Å; D564-H570 IonicContact OD1-CE1 2.76Å; D564-H570 IonicContact OD1-CG 2.65Å; D564-H570 IonicContact OD1-ND1 3.58Å; D564-H570 PolarHBondContact OD1-ND1 2.84Å
571	L	95.3	Very high	94.2	Very high	0 Å²	0	72.7 Å²	72.7	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.5	178.5	-59.9	175.1	0	0	0	109.4	G562 C563 V565 R569 E575 Y577 C586	G562-L571 CarbonylContact C-O 3.53Å; G562-L571 WeakPolarHBondContact CA-O 3.01Å; C563-L571 PolarHBondContact N-O 2.84Å; C563-L571 WeakPolarHBondContact O-CB 3.48Å; C563-L571 PolarHBondContact O-N 2.8Å; V565-L571 HydrophobicContact CB-CD1 4.44Å; V565-L571 HydrophobicContact CG1-CD1 3.52Å; V565-L571 HydrophobicContact CG1-CG 4.34Å; V565-L571 HydrophobicContact CG2-CD1 4.04Å; V565-L571 HydrophobicContact CG2-CG 4.15Å; R569-L571 HydrophobicContact CG-CD2 4.01Å; L571-E575 HydrophobicContact CB-CB 4.27Å; L571-Y577 VanDerWaalsContact CD1-CB 3.44Å; L571-Y577 HydrophobicContact CD1-CG 4.12Å; L571-Y577 HydrophobicContact CD2-CD2 4.39Å; L571-Y577 HydrophobicContact CD2-CG 4.46Å; L571-C586 HydrophobicContact CB-CB 4.07Å; L571-C586 PolarHBondContact O-SG 2.91Å; L571-C586 VanDerWaalsContact O-SG 3.37Å
572	K	95.5	Very high	94.9	Very high	127 Å²	127	70.6 Å²	70.6	55%	0.552	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	154	175.5	-61.3	-175.7	176.1	-167.6	0	111.5	D561 G574 E575	D561-K572 WeakPolarHBondContact O-CA 3.35Å; K572-G574 PolarHBondContact O-N 2.98Å; K572-E575 HydrophobicContact CB-CG 4.08Å; K572-E575 WeakPolarHBondContact CB-OE1 3.28Å; K572-E575 WeakPolarHBondContact CG-OE1 3.42Å; K572-E575 VanDerWaalsContact O-CB 3.31Å; K572-E575 WeakPolarHBondContact O-CB 3.49Å; K572-E575 PolarHBondContact O-N 3.26Å
573	F	94.9	Very high	95.2	Very high	68 Å²	68	71.2 Å²	71.2	30%	0.298	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	127.9	172	-66.8	-56.6	0	0	0	111.5	D560 D561 C586 K588 I593	D560-F573 VanDerWaalsContact O-CE2 3.3Å; D560-F573 WeakPolarHBondContact O-CE2 3.33Å; D561-F573 WeakPolarHBondContact O-CD2 3.35Å; D561-F573 PolarHBondContact O-N 3.32Å; D561-F573 VanDerWaalsContact O-N 3.13Å; F573-C586 VanDerWaalsContact CD1-SG 3.53Å; F573-K588 HydrophobicContact CD1-CB 4.08Å; F573-K588 HydrophobicContact CE1-CB 3.66Å; F573-K588 HydrophobicContact CE1-CD 4.4Å; F573-K588 HydrophobicContact CE1-CG 4.17Å; F573-K588 HydrophobicContact CE2-CB 4.47Å; F573-K588 HydrophobicContact CE2-CD 3.91Å; F573-K588 HydrophobicContact CZ-CB 3.89Å; F573-K588 HydrophobicContact CZ-CD 3.73Å; F573-K588 HydrophobicContact CZ-CG 3.94Å; F573-I593 HydrophobicContact CE1-CD1 4.35Å; F573-I593 HydrophobicContact CE1-CG1 4.03Å; F573-I593 HydrophobicContact CE1-CG2 4.09Å; F573-I593 HydrophobicContact CZ-CD1 3.76Å; F573-I593 HydrophobicContact CZ-CG1 3.81Å
574	G	95.5	Very high	95.3	Very high	43 Å²	43	71.2 Å²	71.2	44%	0.443	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.4	-23.3	-173.5	0	0	0	0	0	115.3	K572 C586	K572-G574 PolarHBondContact O-N 2.98Å; G574-C586 PolarHBondContact N-O 2.98Å
575	E	97.2	Very high	95.5	Very high	60 Å²	60	68.2 Å²	68.2	28%	0.28	37%	0.366	S	S	.	.			trans	-66.3	149	176.4	-74.7	-175	-157.1	0	0	112.1	R569 L571 K572 K585 C586	R569-E575 IonicContact CZ-OE2 4Å; R569-E575 IonicContact NE-OE2 2.84Å; R569-E575 IonicContact NH2-OE2 2.75Å; R569-E575 PolarHBondContact NH2-OE2 3.46Å; L571-E575 HydrophobicContact CB-CB 4.27Å; K572-E575 HydrophobicContact CB-CG 4.08Å; K572-E575 WeakPolarHBondContact CB-OE1 3.28Å; K572-E575 WeakPolarHBondContact CG-OE1 3.42Å; K572-E575 VanDerWaalsContact O-CB 3.31Å; K572-E575 WeakPolarHBondContact O-CB 3.49Å; K572-E575 PolarHBondContact O-N 3.26Å; E575-K585 WeakPolarHBondContact O-CA 3.24Å; E575-C586 PolarHBondContact O-N 3.29Å
576	T	97.3	Very high	95.7	Very high	78 Å²	78	67.8 Å²	67.8	48%	0.479	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	145.8	179.4	57.4	0	0	0	0	111.9	I583 V584 K585 I598	T576-I583 HydrophobicContact CG2-CG2 4.29Å; T576-V584 CarbonylContact C-O 3.5Å; T576-V584 WeakPolarHBondContact CA-O 3.41Å; T576-K585 HydrophobicContact CG2-CB 4.11Å; T576-K585 HydrophobicContact CG2-CG 4.16Å; T576-I598 HydrophobicContact CG2-CD1 3.79Å
577	Y	96.4	Very high	95.9	Very high	62 Å²	62	64.3 Å²	64.3	24%	0.243	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.9	-178	179.1	-102.6	0	0	0	111.3	V565 S567 L571 K579 I583 V584	V565-Y577 HydrophobicContact CB-CD1 4.22Å; V565-Y577 HydrophobicContact CB-CE1 4.2Å; V565-Y577 HydrophobicContact CG1-CD1 4.12Å; V565-Y577 HydrophobicContact CG2-CD1 4.01Å; V565-Y577 HydrophobicContact CG2-CD2 4.32Å; V565-Y577 HydrophobicContact CG2-CE1 3.98Å; V565-Y577 HydrophobicContact CG2-CE2 4.29Å; V565-Y577 HydrophobicContact CG2-CG 4.18Å; S567-Y577 WeakPolarHBondContact CB-OH 3.4Å; S567-Y577 PolarHBondContact OG-OH 2.84Å; L571-Y577 VanDerWaalsContact CD1-CB 3.44Å; L571-Y577 HydrophobicContact CD1-CG 4.12Å; L571-Y577 HydrophobicContact CD2-CD2 4.39Å; L571-Y577 HydrophobicContact CD2-CG 4.46Å; Y577-K579 HydrophobicContact CD1-CB 4.38Å; Y577-K579 HydrophobicContact CE1-CB 4.45Å; Y577-K579 PolarHBondContact O-N 2.66Å; Y577-I583 WeakPolarHBondContact O-CA 3.38Å; Y577-V584 HydrophobicContact CD1-CG2 4.28Å; Y577-V584 PolarHBondContact N-O 3.27Å; Y577-V584 WeakPolarHBondContact O-CG2 3.43Å; Y577-V584 PolarHBondContact O-N 3.39Å
578	R	96.8	Very high	96	Very high	144 Å²	144	65.7 Å²	65.7	54%	0.543	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	105	179.3	180	172.1	179.9	176.1	1.4	110.6	G580 I601	R578-G580 PolarHBondContact NE-O 3.16Å; R578-I601 HydrophobicContact CG-CD1 3.67Å
579	K	95.9	Very high	96	Very high	82 Å²	82	66.9 Å²	66.9	36%	0.357	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	89.1	174.1	-166.8	162.5	179.7	167.7	0	109.6	D566 Y577 N581 F582 V584	D566-K579 IonicContact OD1-NZ 2.74Å; D566-K579 PolarHBondContact OD1-NZ 2.97Å; D566-K579 WeakPolarHBondContact OD2-CE 3.28Å; D566-K579 IonicContact OD2-NZ 3.69Å; D566-K579 PolarHBondContact OD2-NZ 3.44Å; Y577-K579 HydrophobicContact CD1-CB 4.38Å; Y577-K579 HydrophobicContact CE1-CB 4.45Å; Y577-K579 PolarHBondContact O-N 2.66Å; K579-N581 PolarHBondContact O-N 2.92Å; K579-F582 PolarHBondContact N-O 3.48Å; K579-F582 PolarHBondContact O-N 2.85Å; K579-V584 HydrophobicContact CB-CG1 4.31Å; K579-V584 HydrophobicContact CB-CG2 4.35Å
580	G	95.6	Very high	96	Very high	52 Å²	52	64.2 Å²	64.2	54%	0.536	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.7	-114.1	-178.5	0	0	0	0	0	113.3	R578 F582	R578-G580 PolarHBondContact NE-O 3.16Å; G580-F582 VanDerWaalsContact C-N 3.32Å
581	N	96.9	Very high	95.8	Very high	94 Å²	94	66.9 Å²	66.9	50%	0.503	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	16.3	179.8	-64.4	-17.9	0	0	0	113.1	K579 C600 I601	K579-N581 PolarHBondContact O-N 2.92Å; N581-C600 CarbonylContact O-C 3.49Å; N581-I601 PolarHBondContact O-N 3.32Å
582	F	97.8	Very high	95.7	Very high	62 Å²	62	72 Å²	72	27%	0.272	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.6	179.7	-54.7	-76.2	0	0	0	111.3	K579 G580 K599 C600 I629	K579-F582 PolarHBondContact N-O 3.48Å; K579-F582 PolarHBondContact O-N 2.85Å; G580-F582 VanDerWaalsContact C-N 3.32Å; F582-K599 CarbonylContact C-O 3.53Å; F582-K599 WeakPolarHBondContact CA-O 3.43Å; F582-C600 HydrophobicContact CD1-CB 4.35Å; F582-C600 HydrophobicContact CE1-CB 4.5Å; F582-I629 HydrophobicContact CD1-CD1 3.92Å; F582-I629 HydrophobicContact CD1-CG1 3.8Å; F582-I629 HydrophobicContact CE1-CD1 4.49Å; F582-I629 HydrophobicContact CE1-CG1 3.95Å
583	I	97.8	Very high	95.5	Very high	17 Å²	17	69.1 Å²	69.1	9%	0.087	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	120.1	162.4	-59.1	-178.3	0	0	0	107.1	T576 Y577 I598 K599 I601 E606	T576-I583 HydrophobicContact CG2-CG2 4.29Å; Y577-I583 WeakPolarHBondContact O-CA 3.38Å; I583-I598 HydrophobicContact CB-CG1 4.46Å; I583-I598 HydrophobicContact CG2-CD1 4.26Å; I583-I598 HydrophobicContact CG2-CG1 4.15Å; I583-I598 WeakPolarHBondContact O-CG1 3.41Å; I583-I598 PolarHBondContact O-N 3.31Å; I583-K599 HydrophobicContact CB-CB 4.19Å; I583-K599 HydrophobicContact CD1-CB 4.5Å; I583-K599 HydrophobicContact CD1-CD 4.45Å; I583-K599 PolarHBondContact N-O 3.14Å; I583-K599 PolarHBondContact O-N 3Å; I583-I601 HydrophobicContact CD1-CD1 4.44Å; I583-I601 HydrophobicContact CG1-CD1 3.85Å; I583-I601 HydrophobicContact CG1-CG1 4.12Å; I583-E606 HydrophobicContact CD1-CG 3.74Å; I583-E606 WeakPolarHBondContact CD1-OE1 3.27Å
584	V	97	Very high	95.5	Very high	8 Å²	8	67.5 Å²	67.5	5%	0.048	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	154	170.8	-61.6	0	0	0	0	110.2	T576 Y577 K579 T595 T596 P597	T576-V584 CarbonylContact C-O 3.5Å; T576-V584 WeakPolarHBondContact CA-O 3.41Å; Y577-V584 HydrophobicContact CD1-CG2 4.28Å; Y577-V584 PolarHBondContact N-O 3.27Å; Y577-V584 WeakPolarHBondContact O-CG2 3.43Å; Y577-V584 PolarHBondContact O-N 3.39Å; K579-V584 HydrophobicContact CB-CG1 4.31Å; K579-V584 HydrophobicContact CB-CG2 4.35Å; V584-T595 HydrophobicContact CG2-CG2 4.43Å; V584-T596 CarbonylContact C-O 3.46Å; V584-T596 VanDerWaalsContact CA-O 3.28Å; V584-T596 WeakPolarHBondContact CA-O 3.41Å; V584-P597 HydrophobicContact CG1-CB 4.09Å
585	K	97.5	Very high	95.5	Very high	62 Å²	62	67.8 Å²	67.8	27%	0.27	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.8	173.4	-176.5	-175.1	163.7	-152.4	0	108.8	E575 T576 E587 T595 T596 I598	E575-K585 WeakPolarHBondContact O-CA 3.24Å; T576-K585 HydrophobicContact CG2-CB 4.11Å; T576-K585 HydrophobicContact CG2-CG 4.16Å; K585-E587 HydrophobicContact CB-CG 4.43Å; K585-E587 HydrophobicContact CD-CG 3.99Å; K585-E587 WeakPolarHBondContact CD-OE1 3.49Å; K585-E587 WeakPolarHBondContact CE-OE1 3.48Å; K585-E587 HydrophobicContact CG-CG 4Å; K585-E587 IonicContact NZ-OE1 3.2Å; K585-E587 PolarHBondContact NZ-OE1 2.85Å; K585-T595 CarbonylContact O-C 3.54Å; K585-T595 WeakPolarHBondContact O-CA 3.12Å; K585-T596 PolarHBondContact N-O 2.84Å; K585-T596 PolarHBondContact O-N 2.91Å; K585-I598 HydrophobicContact CB-CD1 4.11Å; K585-I598 HydrophobicContact CB-CG1 4.29Å; K585-I598 HydrophobicContact CB-CG2 3.9Å; K585-I598 HydrophobicContact CD-CG2 4.48Å
586	C	97.6	Very high	95.4	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	124.6	172.2	179.9	0	0	0	0	110.9	C563 L571 F573 G574 E575	C563-C586 HydrophobicContact CB-CB 3.75Å; C563-C586 WeakPolarHBondContact CB-SG 3.25Å; C563-C586 PolarHBondContact N-SG 2.88Å; C563-C586 WeakPolarHBondContact SG-CA 3.26Å; C563-C586 WeakPolarHBondContact SG-CB 3.01Å; C563-C586 CovalentContact SG-SG 2.04Å; C563-C586 PolarHBondContact SG-SG 3.36Å; L571-C586 HydrophobicContact CB-CB 4.07Å; L571-C586 PolarHBondContact O-SG 2.91Å; L571-C586 VanDerWaalsContact O-SG 3.37Å; F573-C586 VanDerWaalsContact CD1-SG 3.53Å; G574-C586 PolarHBondContact N-O 2.98Å; E575-C586 PolarHBondContact O-N 3.29Å
587	E	96.3	Very high	95.4	Very high	55 Å²	55	64.8 Å²	64.8	26%	0.257	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.1	-177.1	-60.5	-172.3	133.9	0	0	112.1	K585 A594 T596	K585-E587 HydrophobicContact CB-CG 4.43Å; K585-E587 HydrophobicContact CD-CG 3.99Å; K585-E587 WeakPolarHBondContact CD-OE1 3.49Å; K585-E587 WeakPolarHBondContact CE-OE1 3.48Å; K585-E587 HydrophobicContact CG-CG 4Å; K585-E587 IonicContact NZ-OE1 3.2Å; K585-E587 PolarHBondContact NZ-OE1 2.85Å; E587-A594 PolarHBondContact N-O 3.1Å; E587-A594 PolarHBondContact O-N 3.01Å; E587-T596 WeakPolarHBondContact OE2-CB 3.37Å; E587-T596 PolarHBondContact OE2-OG1 2.94Å
588	K	94.8	Very high	95.4	Very high	98 Å²	98	64.2 Å²	64.2	43%	0.426	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	106.7	175.4	-156.9	169.2	-167.8	163.4	0	108.9	D560 F573 I593	D560-K588 IonicContact OD1-NZ 3.57Å; D560-K588 PolarHBondContact OD1-NZ 2.79Å; F573-K588 HydrophobicContact CD1-CB 4.08Å; F573-K588 HydrophobicContact CE1-CB 3.66Å; F573-K588 HydrophobicContact CE1-CD 4.4Å; F573-K588 HydrophobicContact CE1-CG 4.17Å; F573-K588 HydrophobicContact CE2-CB 4.47Å; F573-K588 HydrophobicContact CE2-CD 3.91Å; F573-K588 HydrophobicContact CZ-CB 3.89Å; F573-K588 HydrophobicContact CZ-CD 3.73Å; F573-K588 HydrophobicContact CZ-CG 3.94Å; K588-I593 HydrophobicContact CG-CG1 4.46Å
589	I	92.8	Very high	95.5	Very high	99 Å²	99	59.4 Å²	59.4	51%	0.508	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	86.2	-177.5	-53.9	-178.9	0	0	0	108.1	T591 N592 A594	I589-T591 PolarHBondContact O-N 3.02Å; I589-N592 PolarHBondContact N-O 2.95Å; I589-N592 PolarHBondContact O-N 3.12Å; I589-N592 VanDerWaalsContact O-N 3.12Å; I589-A594 HydrophobicContact CD1-CB 4.07Å
590	G	92.4	Very high	95.6	Very high	66 Å²	66	55.5 Å²	55.5	68%	0.68	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	-121.8	-170.3	0	0	0	0	0	110.6
591	T	91.1	Very high	95.7	Very high	127 Å²	127	53.3 Å²	53.3	78%	0.779	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.6	172	52.5	0	0	0	0	113.5	I589	I589-T591 PolarHBondContact O-N 3.02Å
592	N	91.9	Very high	95.8	Very high	109 Å²	109	49.4 Å²	49.4	58%	0.583	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	135.4	-168.8	-61.9	-20.1	0	0	0	111.1	I589	I589-N592 PolarHBondContact N-O 2.95Å; I589-N592 PolarHBondContact O-N 3.12Å; I589-N592 VanDerWaalsContact O-N 3.12Å
593	I	92.9	Very high	95.7	Very high	65 Å²	65	51.6 Å²	51.6	33%	0.333	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	128.4	176.6	-65.3	177.1	0	0	0	108.4	M559 C563 F573 K588	M559-I593 WeakPolarHBondContact O-CD1 3.31Å; C563-I593 HydrophobicContact CB-CG2 4.06Å; C563-I593 WeakPolarHBondContact SG-CG2 3.49Å; F573-I593 HydrophobicContact CE1-CD1 4.35Å; F573-I593 HydrophobicContact CE1-CG1 4.03Å; F573-I593 HydrophobicContact CE1-CG2 4.09Å; F573-I593 HydrophobicContact CZ-CD1 3.76Å; F573-I593 HydrophobicContact CZ-CG1 3.81Å; K588-I593 HydrophobicContact CG-CG1 4.46Å
594	A	93.8	Very high	95.6	Very high	34 Å²	34	53.2 Å²	53.2	28%	0.281	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	151.3	-174.8	0	0	0	0	0	112.9	C563 E587 I589	C563-A594 PolarHBondContact SG-O 3.12Å; E587-A594 PolarHBondContact N-O 3.1Å; E587-A594 PolarHBondContact O-N 3.01Å; I589-A594 HydrophobicContact CD1-CB 4.07Å
595	T	95.3	Very high	95.7	Very high	49 Å²	49	56.3 Å²	56.3	30%	0.301	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	94.2	170.6	47.9	0	0	0	0	110.3	C563 V565 V584 K585	C563-T595 HydrophobicContact CB-CG2 3.86Å; V565-T595 HydrophobicContact CG1-CG2 4Å; V584-T595 HydrophobicContact CG2-CG2 4.43Å; K585-T595 CarbonylContact O-C 3.54Å; K585-T595 WeakPolarHBondContact O-CA 3.12Å
596	T	95.3	Very high	95.7	Very high	42 Å²	42	57.4 Å²	57.4	26%	0.258	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	126.4	179.9	-50.2	0	0	0	0	110.3	V584 K585 E587 I598	V584-T596 CarbonylContact C-O 3.46Å; V584-T596 VanDerWaalsContact CA-O 3.28Å; V584-T596 WeakPolarHBondContact CA-O 3.41Å; K585-T596 PolarHBondContact N-O 2.84Å; K585-T596 PolarHBondContact O-N 2.91Å; E587-T596 WeakPolarHBondContact OE2-CB 3.37Å; E587-T596 PolarHBondContact OE2-OG1 2.94Å; T596-I598 PolarHBondContact O-N 2.86Å
597	P	96.9	Very high	95.7	Very high	33 Å²	33	57.4 Å²	57.4	21%	0.214	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	124.8	173.1	32.9	-35.4	0	0	0	110.8	V584 I629	V584-P597 HydrophobicContact CG1-CB 4.09Å; P597-I629 HydrophobicContact CB-CD1 3.78Å; P597-I629 HydrophobicContact CB-CG1 3.79Å; P597-I629 HydrophobicContact CG-CD1 4.45Å; P597-I629 HydrophobicContact CG-CG1 4.03Å
598	I	97.5	Very high	95.8	Very high	50 Å²	50	59.8 Å²	59.8	26%	0.256	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	-23.5	-172.6	57.9	158.3	0	0	0	114.4	T576 I583 K585 T596	T576-I598 HydrophobicContact CG2-CD1 3.79Å; I583-I598 HydrophobicContact CB-CG1 4.46Å; I583-I598 HydrophobicContact CG2-CD1 4.26Å; I583-I598 HydrophobicContact CG2-CG1 4.15Å; I583-I598 WeakPolarHBondContact O-CG1 3.41Å; I583-I598 PolarHBondContact O-N 3.31Å; K585-I598 HydrophobicContact CB-CD1 4.11Å; K585-I598 HydrophobicContact CB-CG1 4.29Å; K585-I598 HydrophobicContact CB-CG2 3.9Å; K585-I598 HydrophobicContact CD-CG2 4.48Å; T596-I598 PolarHBondContact O-N 2.86Å
599	K	98.2	Very high	95.9	Very high	43 Å²	43	59 Å²	59	19%	0.187	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	151.9	175.7	-57.2	-166.4	-163.4	-172.2	0	110.8	F582 I583 E606 M607 H608	F582-K599 CarbonylContact C-O 3.53Å; F582-K599 WeakPolarHBondContact CA-O 3.43Å; I583-K599 HydrophobicContact CB-CB 4.19Å; I583-K599 HydrophobicContact CD1-CB 4.5Å; I583-K599 HydrophobicContact CD1-CD 4.45Å; I583-K599 PolarHBondContact N-O 3.14Å; I583-K599 PolarHBondContact O-N 3Å; K599-E606 HydrophobicContact CD-CB 4.14Å; K599-E606 VanDerWaalsContact CD-OE2 3.25Å; K599-E606 WeakPolarHBondContact CD-OE2 3.43Å; K599-E606 WeakPolarHBondContact CE-OE2 3.3Å; K599-E606 IonicContact NZ-OE2 2.63Å; K599-E606 PolarHBondContact NZ-OE2 2.95Å; K599-M607 CarbonylContact C-O 3.52Å; K599-M607 WeakPolarHBondContact CA-O 3.46Å; K599-M607 VanDerWaalsContact CB-O 3.31Å; K599-M607 WeakPolarHBondContact CB-O 3.42Å; K599-H608 VanDerWaalsContact CE-CE1 3.49Å; K599-H608 WeakPolarHBondContact CE-CE1 3.19Å; K599-H608 WeakPolarHBondContact CE-NE2 3.44Å; K599-H608 PolarHBondContact NZ-CE1 3.02Å; K599-H608 PolarHBondContact NZ-NE2 3.13Å
600	C	98.3	Very high	96.1	Very high	0 Å²	0	57 Å²	57	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	166	166.2	-54	0	0	0	0	110.1	N581 F582 E606 M607 C622 M631	N581-C600 CarbonylContact O-C 3.49Å; F582-C600 HydrophobicContact CD1-CB 4.35Å; F582-C600 HydrophobicContact CE1-CB 4.5Å; C600-E606 CarbonylContact O-C 3.6Å; C600-E606 WeakPolarHBondContact O-CA 3.43Å; C600-M607 HydrophobicContact CB-CB 4.28Å; C600-M607 PolarHBondContact N-O 2.82Å; C600-M607 PolarHBondContact O-N 3.23Å; C600-C622 HydrophobicContact CB-CB 3.64Å; C600-C622 WeakPolarHBondContact CB-SG 3.34Å; C600-C622 PolarHBondContact N-SG 2.96Å; C600-C622 WeakPolarHBondContact SG-CA 3.39Å; C600-C622 WeakPolarHBondContact SG-CB 3.26Å; C600-C622 CovalentContact SG-SG 2.04Å; C600-C622 PolarHBondContact SG-SG 3.18Å; C600-M631 HydrophobicContact CB-CB 4.38Å
601	I	98.2	Very high	96.4	Very high	7 Å²	7	56.8 Å²	56.8	4%	0.036	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	121.4	173.8	-51.1	176.7	0	0	0	108.5	R578 N581 I583 T605	R578-I601 HydrophobicContact CG-CD1 3.67Å; N581-I601 PolarHBondContact O-N 3.32Å; I583-I601 HydrophobicContact CD1-CD1 4.44Å; I583-I601 HydrophobicContact CG1-CD1 3.85Å; I583-I601 HydrophobicContact CG1-CG1 4.12Å; I601-T605 WeakPolarHBondContact CA-O 3.38Å
602	L	97.6	Very high	96.6	Very high	12 Å²	12	57.1 Å²	57.1	6%	0.063	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	117.2	175.7	-175.2	72.1	0	0	0	108.5	G604 T605 M607 K613 K615 Y620 M631	L602-G604 VanDerWaalsContact C-N 3.3Å; L602-G604 PolarHBondContact O-N 2.83Å; L602-T605 PolarHBondContact N-O 2.86Å; L602-T605 WeakPolarHBondContact O-CB 3.5Å; L602-T605 PolarHBondContact O-N 2.88Å; L602-M607 HydrophobicContact CB-SD 3.65Å; L602-M607 HydrophobicContact CD2-SD 4.04Å; L602-K613 HydrophobicContact CD2-CB 3.83Å; L602-K615 HydrophobicContact CD1-CD 3.9Å; L602-K615 HydrophobicContact CD2-CB 4.2Å; L602-Y620 HydrophobicContact CD1-CD1 4.23Å; L602-Y620 HydrophobicContact CD1-CD2 4.41Å; L602-Y620 HydrophobicContact CD1-CG 4.1Å; L602-Y620 HydrophobicContact CD2-CD2 4.3Å; L602-Y620 HydrophobicContact CD2-CG 4.19Å; L602-M631 HydrophobicContact CB-SD 3.95Å; L602-M631 HydrophobicContact CD1-CE 4.07Å; L602-M631 HydrophobicContact CD1-SD 3.69Å; L602-M631 HydrophobicContact CG-SD 4.38Å
603	D	96.4	Very high	96.9	Very high	108 Å²	108	54.6 Å²	54.6	58%	0.578	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	50.9	178.9	-60.4	-15.4	0	0	0	113	T605 K615	D603-T605 PolarHBondContact O-N 3.2Å; D603-T605 VanDerWaalsContact O-N 3.16Å; D603-K615 IonicContact OD1-NZ 3.97Å; D603-K615 PolarHBondContact OD1-NZ 2.05Å; D603-K615 WeakPolarHBondContact OD2-CD 3.16Å; D603-K615 WeakPolarHBondContact OD2-CE 3.32Å; D603-K615 IonicContact OD2-NZ 3.65Å; D603-K615 PolarHBondContact OD2-NZ 2.85Å
604	G	96.7	Very high	97	Very high	51 Å²	51	57.8 Å²	57.8	53%	0.526	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-18.8	-178.1	0	0	0	0	0	115	L602	L602-G604 VanDerWaalsContact C-N 3.3Å; L602-G604 PolarHBondContact O-N 2.83Å
605	T	97.7	Very high	97.1	Very high	72 Å²	72	60 Å²	60	44%	0.442	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.2	-176.3	-44.9	0	0	0	0	111.3	I601 L602 D603 K613	I601-T605 WeakPolarHBondContact CA-O 3.38Å; L602-T605 PolarHBondContact N-O 2.86Å; L602-T605 WeakPolarHBondContact O-CB 3.5Å; L602-T605 PolarHBondContact O-N 2.88Å; D603-T605 PolarHBondContact O-N 3.2Å; D603-T605 VanDerWaalsContact O-N 3.16Å; T605-K613 HydrophobicContact CG2-CD 4.16Å
606	E	97.8	Very high	97.1	Very high	86 Å²	86	60.5 Å²	60.5	40%	0.402	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	153.5	174.9	-57.9	-172.9	-176.9	0	0	112.3	I583 K599 C600 K613	I583-E606 HydrophobicContact CD1-CG 3.74Å; I583-E606 WeakPolarHBondContact CD1-OE1 3.27Å; K599-E606 HydrophobicContact CD-CB 4.14Å; K599-E606 VanDerWaalsContact CD-OE2 3.25Å; K599-E606 WeakPolarHBondContact CD-OE2 3.43Å; K599-E606 WeakPolarHBondContact CE-OE2 3.3Å; K599-E606 IonicContact NZ-OE2 2.63Å; K599-E606 PolarHBondContact NZ-OE2 2.95Å; C600-E606 CarbonylContact O-C 3.6Å; C600-E606 WeakPolarHBondContact O-CA 3.43Å; E606-K613 PolarHBondContact O-NZ 2.91Å
607	M	98.2	Very high	97.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	123.5	175	-68.4	178.7	64.6	0	0	110.9	K599 C600 L602 E611 K613 C622	K599-M607 CarbonylContact C-O 3.52Å; K599-M607 WeakPolarHBondContact CA-O 3.46Å; K599-M607 VanDerWaalsContact CB-O 3.31Å; K599-M607 WeakPolarHBondContact CB-O 3.42Å; C600-M607 HydrophobicContact CB-CB 4.28Å; C600-M607 PolarHBondContact N-O 2.82Å; C600-M607 PolarHBondContact O-N 3.23Å; L602-M607 HydrophobicContact CB-SD 3.65Å; L602-M607 HydrophobicContact CD2-SD 4.04Å; M607-E611 WeakPolarHBondContact CA-OE2 3.45Å; M607-E611 WeakPolarHBondContact CE-O 3.47Å; M607-K613 HydrophobicContact CE-CB 3.97Å; M607-K613 HydrophobicContact CE-CG 4.13Å; M607-K613 HydrophobicContact CG-CD 3.78Å; M607-K613 HydrophobicContact CG-CG 4.02Å; M607-K613 HydrophobicContact SD-CB 3.86Å; M607-K613 HydrophobicContact SD-CD 4.16Å; M607-K613 HydrophobicContact SD-CG 4.02Å; M607-C622 HydrophobicContact CB-CB 4.12Å
608	H	98.1	Very high	97.2	Very high	105 Å²	105	59.9 Å²	59.9	49%	0.486	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	156.6	172.6	-72.6	-110	0	0	0	111.3	K599 G610 E611 C622	K599-H608 VanDerWaalsContact CE-CE1 3.49Å; K599-H608 WeakPolarHBondContact CE-CE1 3.19Å; K599-H608 WeakPolarHBondContact CE-NE2 3.44Å; K599-H608 PolarHBondContact NZ-CE1 3.02Å; K599-H608 PolarHBondContact NZ-NE2 3.13Å; H608-G610 PolarHBondContact O-N 2.87Å; H608-E611 HydrophobicContact CB-CB 4.36Å; H608-E611 IonicContact CD2-OE2 2.69Å; H608-E611 PolarHBondContact N-OE2 3.26Å; H608-E611 WeakPolarHBondContact O-CB 3.32Å; H608-E611 PolarHBondContact O-N 3.01Å; H608-C622 WeakPolarHBondContact O-CB 3.3Å
609	I	97.6	Very high	97.2	Very high	82 Å²	82	57.5 Å²	57.5	42%	0.421	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	126.2	176	-56	173.6	0	0	0	109.2	K624 I629	I609-K624 HydrophobicContact CG2-CB 4.07Å; I609-I629 HydrophobicContact CD1-CG2 3.67Å; I609-I629 HydrophobicContact CG1-CG2 4.05Å
610	G	96.6	Very high	97.2	Very high	56 Å²	56	57.9 Å²	57.9	58%	0.577	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	-18.7	-172.9	0	0	0	0	0	114.4	H608 C622	H608-G610 PolarHBondContact O-N 2.87Å; G610-C622 PolarHBondContact N-O 3.37Å
611	E	97.6	Very high	97.2	Very high	61 Å²	61	58 Å²	58	29%	0.285	32%	0.316	S	S	.	.			trans	-69.5	146.3	179.6	-158.6	-171.1	144.2	0	0	111.7	M607 H608 K613 A621 C622	M607-E611 WeakPolarHBondContact CA-OE2 3.45Å; M607-E611 WeakPolarHBondContact CE-O 3.47Å; H608-E611 HydrophobicContact CB-CB 4.36Å; H608-E611 IonicContact CD2-OE2 2.69Å; H608-E611 PolarHBondContact N-OE2 3.26Å; H608-E611 WeakPolarHBondContact O-CB 3.32Å; H608-E611 PolarHBondContact O-N 3.01Å; E611-K613 WeakPolarHBondContact OE1-CE 3.47Å; E611-K613 IonicContact OE1-NZ 3.8Å; E611-K613 PolarHBondContact OE1-NZ 3.31Å; E611-A621 VanDerWaalsContact O-CA 3.28Å; E611-A621 WeakPolarHBondContact O-CA 3.1Å; E611-C622 PolarHBondContact O-N 3.26Å
612	R	96.5	Very high	97.2	Very high	134 Å²	134	57.7 Å²	57.7	51%	0.506	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.1	177.7	-54.2	-175.7	-173.7	-166.6	0.2	110.3	Y620 A621	R612-Y620 CarbonylContact C-O 3.5Å; R612-Y620 VanDerWaalsContact CA-O 3.22Å; R612-Y620 WeakPolarHBondContact CA-O 3.08Å; R612-A621 HydrophobicContact CG-CB 4.13Å
613	K	96.8	Very high	97.2	Very high	56 Å²	56	61.6 Å²	61.6	24%	0.243	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	149.5	173.4	-75.1	-165.1	160.4	97.8	0	111.9	L602 T605 E606 M607 E611 Y620	L602-K613 HydrophobicContact CD2-CB 3.83Å; T605-K613 HydrophobicContact CG2-CD 4.16Å; E606-K613 PolarHBondContact O-NZ 2.91Å; M607-K613 HydrophobicContact CE-CB 3.97Å; M607-K613 HydrophobicContact CE-CG 4.13Å; M607-K613 HydrophobicContact CG-CD 3.78Å; M607-K613 HydrophobicContact CG-CG 4.02Å; M607-K613 HydrophobicContact SD-CB 3.86Å; M607-K613 HydrophobicContact SD-CD 4.16Å; M607-K613 HydrophobicContact SD-CG 4.02Å; E611-K613 WeakPolarHBondContact OE1-CE 3.47Å; E611-K613 IonicContact OE1-NZ 3.8Å; E611-K613 PolarHBondContact OE1-NZ 3.31Å; K613-Y620 PolarHBondContact N-O 2.83Å; K613-Y620 PolarHBondContact O-N 2.97Å
614	R	96.7	Very high	97.2	Very high	132 Å²	132	64.3 Å²	64.3	50%	0.498	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	130	178.2	-179.4	169.9	-173.5	167.4	8.8	110.4	G616 F618 F637	R614-G616 PolarHBondContact NE-O 2.96Å; R614-F618 WeakPolarHBondContact CA-O 3.42Å; R614-F637 HydrophobicContact CB-CD2 3.8Å; R614-F637 HydrophobicContact CB-CE2 3.48Å; R614-F637 VanDerWaalsContact CB-CE2 3.48Å; R614-F637 HydrophobicContact CB-CZ 4.13Å; R614-F637 HydrophobicContact CG-CD2 3.52Å; R614-F637 HydrophobicContact CG-CE2 3.78Å; R614-F637 HydrophobicContact CG-CG 4.18Å
615	K	96.1	Very high	97.1	Very high	81 Å²	81	64.3 Å²	64.3	35%	0.352	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	113.7	164.5	176.2	175.6	-174.5	155.5	0	108.6	L602 D603 G617 F618 Y620	L602-K615 HydrophobicContact CD1-CD 3.9Å; L602-K615 HydrophobicContact CD2-CB 4.2Å; D603-K615 IonicContact OD1-NZ 3.97Å; D603-K615 PolarHBondContact OD1-NZ 2.05Å; D603-K615 WeakPolarHBondContact OD2-CD 3.16Å; D603-K615 WeakPolarHBondContact OD2-CE 3.32Å; D603-K615 IonicContact OD2-NZ 3.65Å; D603-K615 PolarHBondContact OD2-NZ 2.85Å; K615-G617 PolarHBondContact O-N 3.05Å; K615-F618 PolarHBondContact N-O 3.42Å; K615-F618 PolarHBondContact O-N 2.72Å; K615-F618 VanDerWaalsContact O-N 3.11Å; K615-Y620 HydrophobicContact CB-CD2 3.8Å; K615-Y620 HydrophobicContact CB-CE2 3.68Å; K615-Y620 HydrophobicContact CD-CE2 4.15Å; K615-Y620 HydrophobicContact CG-CE2 4.21Å
616	G	94.7	Very high	96.9	Very high	60 Å²	60	70.6 Å²	70.6	62%	0.619	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.8	-123.1	-171.6	0	0	0	0	0	112.5	R614	R614-G616 PolarHBondContact NE-O 2.96Å
617	G	95.7	Very high	96.6	Very high	18 Å²	18	73.2 Å²	73.2	19%	0.186	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	9.7	178	0	0	0	0	0	115.4	K615 C636 F637 H668	K615-G617 PolarHBondContact O-N 3.05Å; G617-C636 WeakPolarHBondContact O-CA 3.12Å; G617-F637 PolarHBondContact O-N 2.78Å; G617-H668 PolarHBondContact O-NE2 3.11Å
618	F	97.8	Very high	96.4	Very high	43 Å²	43	74.2 Å²	74.2	19%	0.189	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	148.1	-170.8	-59.6	-71.5	0	0	0	113.3	R614 K615 Y620 I633 G666 H668	R614-F618 WeakPolarHBondContact CA-O 3.42Å; K615-F618 PolarHBondContact N-O 3.42Å; K615-F618 PolarHBondContact O-N 2.72Å; K615-F618 VanDerWaalsContact O-N 3.11Å; F618-Y620 HydrophobicContact CB-CD2 4.35Å; F618-Y620 HydrophobicContact CB-CE2 3.88Å; F618-I633 HydrophobicContact CB-CG2 4.09Å; F618-I633 HydrophobicContact CD1-CG2 4.13Å; F618-I633 HydrophobicContact CG-CG2 4.42Å; F618-G666 VanDerWaalsContact CE1-C 3.41Å; F618-G666 VanDerWaalsContact CE1-O 3.32Å; F618-G666 WeakPolarHBondContact CE1-O 3.49Å; F618-G666 WeakPolarHBondContact CZ-O 3.39Å; F618-H668 AromaticContact CD1-NE2 3.98Å; F618-H668 AromaticContact CE1-CD2 3.38Å; F618-H668 WeakPolarHBondContact CE1-CD2 3.41Å; F618-H668 AromaticContact CE1-NE2 3.45Å; F618-H668 WeakPolarHBondContact CE1-NE2 3.16Å; F618-H668 AromaticContact CZ-CD2 3.57Å; F618-H668 AromaticContact CZ-NE2 3.64Å
619	A	97.9	Very high	96.4	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	115.5	170.3	0	0	0	0	0	109.4	I633 V634 G635 F637 F643	A619-I633 WeakPolarHBondContact O-CA 3.08Å; A619-V634 HydrophobicContact CB-CG2 4.07Å; A619-V634 WeakPolarHBondContact O-CG2 3.05Å; A619-V634 PolarHBondContact O-N 2.89Å; A619-G635 PolarHBondContact N-O 3.33Å; A619-F637 HydrophobicContact CB-CD2 4.01Å; A619-F637 HydrophobicContact CB-CE2 3.47Å; A619-F637 VanDerWaalsContact CB-CE2 3.47Å; A619-F637 HydrophobicContact CB-CZ 4.07Å; A619-F643 HydrophobicContact CB-CD2 3.67Å; A619-F643 HydrophobicContact CB-CE2 3.57Å
620	Y	98.1	Very high	96.3	Very high	51 Å²	51	67.9 Å²	67.9	20%	0.2	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	145.6	170.2	-70.3	-102	0	0	0	109	L602 R612 K613 K615 F618 M631 S632 I633	L602-Y620 HydrophobicContact CD1-CD1 4.23Å; L602-Y620 HydrophobicContact CD1-CD2 4.41Å; L602-Y620 HydrophobicContact CD1-CG 4.1Å; L602-Y620 HydrophobicContact CD2-CD2 4.3Å; L602-Y620 HydrophobicContact CD2-CG 4.19Å; R612-Y620 CarbonylContact C-O 3.5Å; R612-Y620 VanDerWaalsContact CA-O 3.22Å; R612-Y620 WeakPolarHBondContact CA-O 3.08Å; K613-Y620 PolarHBondContact N-O 2.83Å; K613-Y620 PolarHBondContact O-N 2.97Å; K615-Y620 HydrophobicContact CB-CD2 3.8Å; K615-Y620 HydrophobicContact CB-CE2 3.68Å; K615-Y620 HydrophobicContact CD-CE2 4.15Å; K615-Y620 HydrophobicContact CG-CE2 4.21Å; F618-Y620 HydrophobicContact CB-CD2 4.35Å; F618-Y620 HydrophobicContact CB-CE2 3.88Å; Y620-M631 HydrophobicContact CD1-CG 4.19Å; Y620-S632 CarbonylContact C-O 3.59Å; Y620-S632 VanDerWaalsContact CA-O 3.25Å; Y620-S632 WeakPolarHBondContact CA-O 3.27Å; Y620-I633 HydrophobicContact CD1-CG1 3.84Å; Y620-I633 HydrophobicContact CE1-CD1 4.04Å; Y620-I633 HydrophobicContact CE1-CG1 3.46Å; Y620-I633 VanDerWaalsContact CE1-CG1 3.46Å; Y620-I633 HydrophobicContact CE2-CG1 4.16Å; Y620-I633 HydrophobicContact CG-CG1 4.36Å
621	A	97.8	Very high	96.3	Very high	4 Å²	4	67.7 Å²	67.7	3%	0.033	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.2	171.9	0	0	0	0	0	111.2	E611 R612 Q623 M631 S632 V634	E611-A621 VanDerWaalsContact O-CA 3.28Å; E611-A621 WeakPolarHBondContact O-CA 3.1Å; R612-A621 HydrophobicContact CG-CB 4.13Å; A621-Q623 HydrophobicContact CB-CG 4.07Å; A621-M631 WeakPolarHBondContact O-CA 3.39Å; A621-S632 PolarHBondContact N-O 2.86Å; A621-S632 PolarHBondContact O-N 2.78Å; A621-V634 HydrophobicContact CB-CB 4.37Å; A621-V634 HydrophobicContact CB-CG1 3.54Å; A621-V634 HydrophobicContact CB-CG2 3.87Å
622	C	98.2	Very high	96.2	Very high	0 Å²	0	66 Å²	66	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	110.2	167.5	-166.7	0	0	0	0	108.8	C600 M607 H608 G610 E611	C600-C622 HydrophobicContact CB-CB 3.64Å; C600-C622 WeakPolarHBondContact CB-SG 3.34Å; C600-C622 PolarHBondContact N-SG 2.96Å; C600-C622 WeakPolarHBondContact SG-CA 3.39Å; C600-C622 WeakPolarHBondContact SG-CB 3.26Å; C600-C622 CovalentContact SG-SG 2.04Å; C600-C622 PolarHBondContact SG-SG 3.18Å; M607-C622 HydrophobicContact CB-CB 4.12Å; H608-C622 WeakPolarHBondContact O-CB 3.3Å; G610-C622 PolarHBondContact N-O 3.37Å; E611-C622 PolarHBondContact O-N 3.26Å
623	Q	97.5	Very high	96.3	Very high	93 Å²	93	60.4 Å²	60.4	44%	0.435	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.9	-173.4	-63.6	-171.3	-47.8	0	0	111.2	A621 I629 A630 S632	A621-Q623 HydrophobicContact CB-CG 4.07Å; Q623-I629 CarbonylContact O-C 3.5Å; Q623-I629 VanDerWaalsContact O-CA 3.23Å; Q623-I629 WeakPolarHBondContact O-CA 3.07Å; Q623-I629 WeakPolarHBondContact O-CB 3.46Å; Q623-A630 PolarHBondContact N-O 2.93Å; Q623-A630 PolarHBondContact O-N 3.39Å; Q623-S632 PolarHBondContact OE1-OG 2.94Å
624	K	97.1	Very high	96.3	Very high	166 Å²	166	58.7 Å²	58.7	72%	0.722	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.7	169.5	-167.6	173.6	-177.6	175	0	109.5	I609 G628	I609-K624 HydrophobicContact CG2-CB 4.07Å; K624-G628 WeakPolarHBondContact CG-O 3.46Å
625	T	95.8	Very high	96.4	Very high	51 Å²	51	52.4 Å²	52.4	31%	0.313	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	175	176	66.7	0	0	0	0	109.8	T627 G628 A630	T625-T627 PolarHBondContact O-N 2.79Å; T625-T627 PolarHBondContact OG1-N 2.95Å; T625-T627 PolarHBondContact OG1-OG1 2.75Å; T625-T627 VanDerWaalsContact OG1-OG1 3.12Å; T625-G628 PolarHBondContact N-O 2.87Å; T625-G628 PolarHBondContact O-N 3.37Å; T625-G628 PolarHBondContact OG1-N 3.21Å; T625-G628 PolarHBondContact OG1-O 3.03Å; T625-A630 HydrophobicContact CG2-CB 3.68Å
626	M	93.5	Very high	96.5	Very high	204 Å²	204	48.5 Å²	48.5	100%	1.005	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-18.9	170.6	-66.3	178	68.8	0	0	113.2
627	T	91.5	Very high	96.6	Very high	141 Å²	141	47.1 Å²	47.1	87%	0.865	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	8.5	-174.5	54.3	0	0	0	0	113.9	T625	T625-T627 PolarHBondContact O-N 2.79Å; T625-T627 PolarHBondContact OG1-N 2.95Å; T625-T627 PolarHBondContact OG1-OG1 2.75Å; T625-T627 VanDerWaalsContact OG1-OG1 3.12Å
628	G	93.5	Very high	96.6	Very high	21 Å²	21	46.5 Å²	46.5	22%	0.216	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	134.8	-122.7	-177.7	0	0	0	0	0	111.8	K624 T625	K624-G628 WeakPolarHBondContact CG-O 3.46Å; T625-G628 PolarHBondContact N-O 2.87Å; T625-G628 PolarHBondContact O-N 3.37Å; T625-G628 PolarHBondContact OG1-N 3.21Å; T625-G628 PolarHBondContact OG1-O 3.03Å
629	I	96.8	Very high	96.4	Very high	18 Å²	18	46.8 Å²	46.8	9%	0.092	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.9	170.1	75.4	-172.5	0	0	0	110	F582 P597 I609 Q623	F582-I629 HydrophobicContact CD1-CD1 3.92Å; F582-I629 HydrophobicContact CD1-CG1 3.8Å; F582-I629 HydrophobicContact CE1-CD1 4.49Å; F582-I629 HydrophobicContact CE1-CG1 3.95Å; P597-I629 HydrophobicContact CB-CD1 3.78Å; P597-I629 HydrophobicContact CB-CG1 3.79Å; P597-I629 HydrophobicContact CG-CD1 4.45Å; P597-I629 HydrophobicContact CG-CG1 4.03Å; I609-I629 HydrophobicContact CD1-CG2 3.67Å; I609-I629 HydrophobicContact CG1-CG2 4.05Å; Q623-I629 CarbonylContact O-C 3.5Å; Q623-I629 VanDerWaalsContact O-CA 3.23Å; Q623-I629 WeakPolarHBondContact O-CA 3.07Å; Q623-I629 WeakPolarHBondContact O-CB 3.46Å
630	A	96.3	Very high	96.3	Very high	36 Å²	36	55.2 Å²	55.2	30%	0.298	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	146.3	174.5	0	0	0	0	0	110.3	Q623 T625	Q623-A630 PolarHBondContact N-O 2.93Å; Q623-A630 PolarHBondContact O-N 3.39Å; T625-A630 HydrophobicContact CG2-CB 3.68Å
631	M	96.5	Very high	96.1	Very high	52 Å²	52	54.3 Å²	54.3	26%	0.256	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	118.3	168.8	-176.1	167	64.1	0	0	108.7	C600 L602 Y620 A621	C600-M631 HydrophobicContact CB-CB 4.38Å; L602-M631 HydrophobicContact CB-SD 3.95Å; L602-M631 HydrophobicContact CD1-CE 4.07Å; L602-M631 HydrophobicContact CD1-SD 3.69Å; L602-M631 HydrophobicContact CG-SD 4.38Å; Y620-M631 HydrophobicContact CD1-CG 4.19Å; A621-M631 WeakPolarHBondContact O-CA 3.39Å
632	S	96.4	Very high	96	Very high	25 Å²	25	56.8 Å²	56.8	18%	0.175	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	152.7	-175	65.3	0	0	0	0	111.3	Y620 A621 Q623	Y620-S632 CarbonylContact C-O 3.59Å; Y620-S632 VanDerWaalsContact CA-O 3.25Å; Y620-S632 WeakPolarHBondContact CA-O 3.27Å; A621-S632 PolarHBondContact N-O 2.86Å; A621-S632 PolarHBondContact O-N 2.78Å; Q623-S632 PolarHBondContact OE1-OG 2.94Å
633	I	97.6	Very high	95.9	Very high	17 Å²	17	59.8 Å²	59.8	9%	0.087	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.5	164	-58.2	169.4	0	0	0	107.3	F618 A619 Y620 F646	F618-I633 HydrophobicContact CB-CG2 4.09Å; F618-I633 HydrophobicContact CD1-CG2 4.13Å; F618-I633 HydrophobicContact CG-CG2 4.42Å; A619-I633 WeakPolarHBondContact O-CA 3.08Å; Y620-I633 HydrophobicContact CD1-CG1 3.84Å; Y620-I633 HydrophobicContact CE1-CD1 4.04Å; Y620-I633 HydrophobicContact CE1-CG1 3.46Å; Y620-I633 VanDerWaalsContact CE1-CG1 3.46Å; Y620-I633 HydrophobicContact CE2-CG1 4.16Å; Y620-I633 HydrophobicContact CG-CG1 4.36Å; I633-F646 HydrophobicContact CB-CZ 4.24Å; I633-F646 HydrophobicContact CG2-CE1 4.33Å; I633-F646 HydrophobicContact CG2-CZ 3.77Å; I633-F646 VanDerWaalsContact O-CE2 3.26Å; I633-F646 WeakPolarHBondContact O-CE2 3.35Å; I633-F646 WeakPolarHBondContact O-CZ 3.33Å
634	V	97.9	Very high	96	Very high	19 Å²	19	56.1 Å²	56.1	12%	0.115	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	-13	-178.7	-65.4	0	0	0	0	113.6	A619 A621 F643 F646	A619-V634 HydrophobicContact CB-CG2 4.07Å; A619-V634 WeakPolarHBondContact O-CG2 3.05Å; A619-V634 PolarHBondContact O-N 2.89Å; A621-V634 HydrophobicContact CB-CB 4.37Å; A621-V634 HydrophobicContact CB-CG1 3.54Å; A621-V634 HydrophobicContact CB-CG2 3.87Å; V634-F643 HydrophobicContact CG2-CE2 4.33Å; V634-F646 VanDerWaalsContact C-CE2 3.49Å
635	G	98.1	Very high	96	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176	-168	179.4	0	0	0	0	0	112.9	A619 V644 C659	A619-G635 PolarHBondContact N-O 3.33Å; G635-V644 CarbonylContact C-O 3.51Å; G635-V644 WeakPolarHBondContact CA-O 3.32Å; G635-C659 VanDerWaalsContact C-SG 3.54Å
636	C	98.1	Very high	96.1	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	159	-176.1	-59.3	0	0	0	0	111.2	G617 V644 F650 C659	G617-C636 WeakPolarHBondContact O-CA 3.12Å; C636-V644 HydrophobicContact CB-CG2 4.01Å; C636-V644 PolarHBondContact N-O 2.94Å; C636-V644 PolarHBondContact O-N 2.84Å; C636-F650 HydrophobicContact CB-CD1 4.27Å; C636-F650 HydrophobicContact CB-CE1 3.74Å; C636-F650 HydrophobicContact CB-CE2 4.42Å; C636-F650 HydrophobicContact CB-CZ 3.82Å; C636-C659 HydrophobicContact CB-CB 3.67Å; C636-C659 WeakPolarHBondContact CB-SG 3.46Å; C636-C659 PolarHBondContact N-SG 2.84Å; C636-C659 WeakPolarHBondContact SG-CA 3.16Å; C636-C659 WeakPolarHBondContact SG-CB 3.48Å; C636-C659 CovalentContact SG-SG 2.04Å; C636-C659 PolarHBondContact SG-SG 3.16Å
637	F	97	Very high	96.3	Very high	31 Å²	31	44.8 Å²	44.8	14%	0.136	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	124.2	171.2	-77.6	-72.5	0	0	0	110.6	R614 G617 A619 G641 A642 F643	R614-F637 HydrophobicContact CB-CD2 3.8Å; R614-F637 HydrophobicContact CB-CE2 3.48Å; R614-F637 VanDerWaalsContact CB-CE2 3.48Å; R614-F637 HydrophobicContact CB-CZ 4.13Å; R614-F637 HydrophobicContact CG-CD2 3.52Å; R614-F637 HydrophobicContact CG-CE2 3.78Å; R614-F637 HydrophobicContact CG-CG 4.18Å; G617-F637 PolarHBondContact O-N 2.78Å; A619-F637 HydrophobicContact CB-CD2 4.01Å; A619-F637 HydrophobicContact CB-CE2 3.47Å; A619-F637 VanDerWaalsContact CB-CE2 3.47Å; A619-F637 HydrophobicContact CB-CZ 4.07Å; F637-G641 VanDerWaalsContact CD1-O 3.3Å; F637-G641 WeakPolarHBondContact CD1-O 3.19Å; F637-A642 WeakPolarHBondContact CA-O 3.42Å; F637-F643 HydrophobicContact CD1-CB 4.19Å; F637-F643 HydrophobicContact CE1-CB 3.8Å; F637-F643 HydrophobicContact CE1-CD2 4.44Å; F637-F643 HydrophobicContact CZ-CD2 4.42Å
638	G	95.9	Very high	96.7	Very high	5 Å²	5	42 Å²	42	5%	0.052	26%	0.257	C	S	.	.			trans	-93.8	-157.3	172.6	0	0	0	0	0	113.8	G641 A642 T651	G638-G641 PolarHBondContact O-N 3.03Å; G638-A642 PolarHBondContact N-O 3.2Å; G638-T651 CarbonylContact C-O 3.47Å; G638-T651 WeakPolarHBondContact CA-O 3.2Å
639	D	94.2	Very high	96.9	Very high	48 Å²	48	46.5 Å²	46.5	26%	0.257	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-53.7	152.8	170.1	-60.9	-52	0	0	0	112.1	G641 A642 T651 V652 S653	D639-G641 PolarHBondContact O-N 2.92Å; D639-A642 PolarHBondContact O-N 3.05Å; D639-T651 PolarHBondContact N-O 3.36Å; D639-T651 WeakPolarHBondContact OD2-CB 3.46Å; D639-T651 VanDerWaalsContact OD2-O 3.13Å; D639-T651 PolarHBondContact OD2-OG1 3.15Å; D639-V652 WeakPolarHBondContact OD1-CA 3.49Å; D639-V652 WeakPolarHBondContact OD2-CA 3.3Å; D639-V652 PolarHBondContact OD2-N 2.74Å; D639-S653 VanDerWaalsContact CG-N 3.29Å; D639-S653 PolarHBondContact OD1-N 2.85Å; D639-S653 PolarHBondContact OD2-N 2.82Å
640	N	94.1	Very high	96.9	Very high	177 Å²	177	46.2 Å²	46.2	95%	0.947	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	54.9	11.6	-179.9	-54.6	-30	0	0	0	115.2	A642	N640-A642 VanDerWaalsContact C-N 3.34Å
641	G	94.4	Very high	96.9	Very high	32 Å²	32	46.8 Å²	46.8	33%	0.33	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	77.3	16.3	-175.5	0	0	0	0	0	114.3	F637 G638 D639 F643	F637-G641 VanDerWaalsContact CD1-O 3.3Å; F637-G641 WeakPolarHBondContact CD1-O 3.19Å; G638-G641 PolarHBondContact O-N 3.03Å; D639-G641 PolarHBondContact O-N 2.92Å; G641-F643 PolarHBondContact O-N 3.2Å
642	A	96	Very high	96.9	Very high	56 Å²	56	46.3 Å²	46.3	46%	0.463	27%	0.268	S	S	.	.			trans	-60.8	119.6	175	0	0	0	0	0	111	F637 G638 D639 N640	F637-A642 WeakPolarHBondContact CA-O 3.42Å; G638-A642 PolarHBondContact N-O 3.2Å; D639-A642 PolarHBondContact O-N 3.05Å; N640-A642 VanDerWaalsContact C-N 3.34Å
643	F	97.1	Very high	96.9	Very high	64 Å²	64	48.7 Å²	48.7	28%	0.281	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	139.9	171.8	169.4	-92.6	0	0	0	110.4	A619 V634 F637 G641 D645	A619-F643 HydrophobicContact CB-CD2 3.67Å; A619-F643 HydrophobicContact CB-CE2 3.57Å; V634-F643 HydrophobicContact CG2-CE2 4.33Å; F637-F643 HydrophobicContact CD1-CB 4.19Å; F637-F643 HydrophobicContact CE1-CB 3.8Å; F637-F643 HydrophobicContact CE1-CD2 4.44Å; F637-F643 HydrophobicContact CZ-CD2 4.42Å; G641-F643 PolarHBondContact O-N 3.2Å; F643-D645 VanDerWaalsContact CE1-OD1 3.23Å; F643-D645 WeakPolarHBondContact CE1-OD1 3.32Å; F643-D645 VanDerWaalsContact CZ-OD1 3.29Å; F643-D645 WeakPolarHBondContact CZ-OD1 2.98Å
644	V	97.8	Very high	96.9	Very high	16 Å²	16	52.6 Å²	52.6	10%	0.097	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.3	168.8	-63.9	0	0	0	0	111.4	G635 C636 Q648 F650 C659	G635-V644 CarbonylContact C-O 3.51Å; G635-V644 WeakPolarHBondContact CA-O 3.32Å; C636-V644 HydrophobicContact CB-CG2 4.01Å; C636-V644 PolarHBondContact N-O 2.94Å; C636-V644 PolarHBondContact O-N 2.84Å; V644-Q648 HydrophobicContact CB-CB 3.96Å; V644-F650 HydrophobicContact CG1-CB 4Å; V644-F650 HydrophobicContact CG2-CB 3.8Å; V644-F650 HydrophobicContact CG2-CD1 3.59Å; V644-F650 HydrophobicContact CG2-CE1 4.4Å; V644-F650 HydrophobicContact CG2-CG 3.87Å; V644-C659 HydrophobicContact CG2-CB 4.11Å
645	D	98	Very high	96.8	Very high	67 Å²	67	52.3 Å²	52.3	36%	0.358	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	168.8	174	-51.8	-77.3	0	0	0	111.7	F643 Q648	F643-D645 VanDerWaalsContact CE1-OD1 3.23Å; F643-D645 WeakPolarHBondContact CE1-OD1 3.32Å; F643-D645 VanDerWaalsContact CZ-OD1 3.29Å; F643-D645 WeakPolarHBondContact CZ-OD1 2.98Å; D645-Q648 WeakPolarHBondContact O-CB 2.85Å; D645-Q648 PolarHBondContact O-N 2.69Å; D645-Q648 PolarHBondContact OD2-NE2 3.17Å
646	F	98	Very high	96.8	Very high	58 Å²	58	52.9 Å²	52.9	25%	0.254	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	143.4	173.5	-62.8	-68	0	0	0	112.4	I633 V634 Q648 C659 K661	I633-F646 HydrophobicContact CB-CZ 4.24Å; I633-F646 HydrophobicContact CG2-CE1 4.33Å; I633-F646 HydrophobicContact CG2-CZ 3.77Å; I633-F646 VanDerWaalsContact O-CE2 3.26Å; I633-F646 WeakPolarHBondContact O-CE2 3.35Å; I633-F646 WeakPolarHBondContact O-CZ 3.33Å; V634-F646 VanDerWaalsContact C-CE2 3.49Å; F646-Q648 PolarHBondContact O-N 3.21Å; F646-C659 CarbonylContact C-O 3.55Å; F646-C659 WeakPolarHBondContact CA-O 3.43Å; F646-C659 VanDerWaalsContact CD1-SG 3.59Å; F646-K661 HydrophobicContact CD1-CB 3.7Å; F646-K661 HydrophobicContact CD2-CB 4.23Å; F646-K661 HydrophobicContact CD2-CD 4.18Å; F646-K661 HydrophobicContact CE1-CB 3.7Å; F646-K661 HydrophobicContact CE1-CG 4.2Å; F646-K661 HydrophobicContact CE2-CB 4.22Å; F646-K661 HydrophobicContact CE2-CD 3.83Å; F646-K661 HydrophobicContact CE2-CG 4.21Å; F646-K661 HydrophobicContact CG-CB 3.95Å; F646-K661 HydrophobicContact CZ-CB 3.95Å; F646-K661 HydrophobicContact CZ-CD 4.08Å; F646-K661 HydrophobicContact CZ-CG 3.97Å
647	G	97.9	Very high	96.8	Very high	58 Å²	58	53.8 Å²	53.8	60%	0.598	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.7	-20.8	-173.6	0	0	0	0	0	114.3	C659	G647-C659 PolarHBondContact N-O 2.05Å
648	Q	98.4	Very high	96.9	Very high	83 Å²	83	53.5 Å²	53.5	39%	0.388	31%	0.311	S	S	.	.			trans	-78.1	156.8	178.7	-62.7	173	8.4	0	0	112	V644 D645 F646 V658 C659	V644-Q648 HydrophobicContact CB-CB 3.96Å; D645-Q648 WeakPolarHBondContact O-CB 2.85Å; D645-Q648 PolarHBondContact O-N 2.69Å; D645-Q648 PolarHBondContact OD2-NE2 3.17Å; F646-Q648 PolarHBondContact O-N 3.21Å; Q648-V658 WeakPolarHBondContact O-CA 3.37Å; Q648-C659 PolarHBondContact O-N 2.99Å
649	K	97.9	Very high	97	Very high	114 Å²	114	53.3 Å²	53.3	50%	0.496	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	139.1	177	-67.7	169.1	-168.1	169.8	0	110.5	I656 F657 V658 Y671	K649-I656 HydrophobicContact CB-CG2 4.44Å; K649-F657 CarbonylContact C-O 3.51Å; K649-F657 VanDerWaalsContact CA-O 3.27Å; K649-F657 WeakPolarHBondContact CA-O 3.47Å; K649-V658 HydrophobicContact CG-CG2 3.72Å; K649-Y671 HydrophobicContact CD-CD1 4.1Å; K649-Y671 HydrophobicContact CD-CE1 3.88Å; K649-Y671 VanDerWaalsContact CE-CZ 3.45Å; K649-Y671 PolarHBondContact NZ-OH 3.29Å
650	F	97.6	Very high	97.1	Very high	13 Å²	13	52.5 Å²	52.5	6%	0.057	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	166.4	174.7	64.6	-77.4	0	0	0	111	C636 V644 V652 I656 F657 C659 H668	C636-F650 HydrophobicContact CB-CD1 4.27Å; C636-F650 HydrophobicContact CB-CE1 3.74Å; C636-F650 HydrophobicContact CB-CE2 4.42Å; C636-F650 HydrophobicContact CB-CZ 3.82Å; V644-F650 HydrophobicContact CG1-CB 4Å; V644-F650 HydrophobicContact CG2-CB 3.8Å; V644-F650 HydrophobicContact CG2-CD1 3.59Å; V644-F650 HydrophobicContact CG2-CE1 4.4Å; V644-F650 HydrophobicContact CG2-CG 3.87Å; F650-V652 HydrophobicContact CD2-CG2 3.93Å; F650-V652 HydrophobicContact CE2-CG2 3.59Å; F650-I656 WeakPolarHBondContact O-CA 3.35Å; F650-F657 HydrophobicContact CD1-CB 4.28Å; F650-F657 HydrophobicContact CE1-CB 3.7Å; F650-F657 HydrophobicContact CE2-CB 4.12Å; F650-F657 HydrophobicContact CZ-CB 3.62Å; F650-F657 HydrophobicContact CZ-CG 4.4Å; F650-F657 PolarHBondContact N-O 2.94Å; F650-F657 PolarHBondContact O-N 3.06Å; F650-C659 HydrophobicContact CD1-CB 4.25Å; F650-C659 HydrophobicContact CE1-CB 3.91Å; F650-H668 AromaticContact CE2-CE1 3.93Å; F650-H668 HydrophobicContact CZ-CB 4.24Å; F650-H668 AromaticContact CZ-CD2 3.61Å; F650-H668 AromaticContact CZ-CE1 3.77Å; F650-H668 AromaticContact CZ-CG 3.65Å; F650-H668 AromaticContact CZ-ND1 3.76Å; F650-H668 AromaticContact CZ-NE2 3.7Å
651	T	97.3	Very high	97.3	Very high	47 Å²	47	49.3 Å²	49.3	29%	0.288	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	148.7	174.6	61.7	0	0	0	0	111.2	G638 D639 F655 I674	G638-T651 CarbonylContact C-O 3.47Å; G638-T651 WeakPolarHBondContact CA-O 3.2Å; D639-T651 PolarHBondContact N-O 3.36Å; D639-T651 WeakPolarHBondContact OD2-CB 3.46Å; D639-T651 VanDerWaalsContact OD2-O 3.13Å; D639-T651 PolarHBondContact OD2-OG1 3.15Å; T651-F655 CarbonylContact C-O 3.56Å; T651-F655 VanDerWaalsContact CA-O 3.25Å; T651-F655 WeakPolarHBondContact CA-O 3.22Å; T651-I674 HydrophobicContact CG2-CD1 3.73Å
652	V	96.2	Very high	97.3	Very high	43 Å²	43	53.5 Å²	53.5	26%	0.261	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	109.1	160.6	-175.6	0	0	0	0	106.9	D639 F650 N654 F655 F657	D639-V652 WeakPolarHBondContact OD1-CA 3.49Å; D639-V652 WeakPolarHBondContact OD2-CA 3.3Å; D639-V652 PolarHBondContact OD2-N 2.74Å; F650-V652 HydrophobicContact CD2-CG2 3.93Å; F650-V652 HydrophobicContact CE2-CG2 3.59Å; V652-N654 PolarHBondContact O-N 3Å; V652-F655 PolarHBondContact N-O 2.9Å; V652-F655 PolarHBondContact O-N 3.48Å; V652-F655 VanDerWaalsContact O-N 3.1Å; V652-F657 HydrophobicContact CB-CD2 4.28Å; V652-F657 HydrophobicContact CB-CE2 4.04Å; V652-F657 HydrophobicContact CG2-CD2 4.08Å; V652-F657 HydrophobicContact CG2-CE2 4.25Å
653	S	95.6	Very high	97.3	Very high	75 Å²	75	53.5 Å²	53.5	52%	0.524	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.4	-122.1	-168.2	-56.1	0	0	0	0	111.4	D639 F655	D639-S653 VanDerWaalsContact CG-N 3.29Å; D639-S653 PolarHBondContact OD1-N 2.85Å; D639-S653 PolarHBondContact OD2-N 2.82Å; S653-F655 VanDerWaalsContact C-N 3.29Å; S653-F655 PolarHBondContact O-N 3.12Å
654	N	96.9	Very high	97	Very high	98 Å²	98	57.9 Å²	57.9	52%	0.524	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.6	21.9	-178.3	-66.9	-17.7	0	0	0	113.3	V652 C673 I674	V652-N654 PolarHBondContact O-N 3Å; N654-C673 CarbonylContact O-C 3.52Å; N654-I674 PolarHBondContact O-N 3.08Å
655	F	97.5	Very high	96.8	Very high	13 Å²	13	58.7 Å²	58.7	6%	0.057	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145	-173.7	-60.1	-61.2	0	0	0	111.9	V64 T651 V652 S653 F657 I703 T705	V64-F655 HydrophobicContact CG2-CD2 4.04Å; V64-F655 HydrophobicContact CG2-CE2 3.68Å; T651-F655 CarbonylContact C-O 3.56Å; T651-F655 VanDerWaalsContact CA-O 3.25Å; T651-F655 WeakPolarHBondContact CA-O 3.22Å; V652-F655 PolarHBondContact N-O 2.9Å; V652-F655 PolarHBondContact O-N 3.48Å; V652-F655 VanDerWaalsContact O-N 3.1Å; S653-F655 VanDerWaalsContact C-N 3.29Å; S653-F655 PolarHBondContact O-N 3.12Å; F655-F657 HydrophobicContact CB-CD2 4.41Å; F655-F657 HydrophobicContact CB-CE2 3.6Å; F655-F657 HydrophobicContact CB-CZ 4.1Å; F655-I703 HydrophobicContact CB-CB 4.39Å; F655-I703 HydrophobicContact CB-CD1 4.23Å; F655-I703 HydrophobicContact CD1-CB 3.51Å; F655-I703 HydrophobicContact CD1-CG2 3.47Å; F655-I703 VanDerWaalsContact CD1-CG2 3.47Å; F655-I703 HydrophobicContact CE1-CB 3.95Å; F655-I703 HydrophobicContact CE1-CG2 3.79Å; F655-I703 HydrophobicContact CG-CB 4.02Å; F655-I703 HydrophobicContact CG-CG2 4.41Å; F655-I703 WeakPolarHBondContact CZ-O 3.44Å; F655-T705 HydrophobicContact CE1-CG2 4.44Å
656	I	97.9	Very high	96.6	Very high	12 Å²	12	56.2 Å²	56.2	6%	0.062	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127	-176.5	-46.7	174.6	0	0	0	108.4	K649 F650 Y671 G672 I674 K679 I703	K649-I656 HydrophobicContact CB-CG2 4.44Å; F650-I656 WeakPolarHBondContact O-CA 3.35Å; I656-Y671 HydrophobicContact CB-CD1 4.35Å; I656-Y671 HydrophobicContact CG2-CD1 3.83Å; I656-Y671 WeakPolarHBondContact O-CA 3.43Å; I656-Y671 WeakPolarHBondContact O-CB 3.03Å; I656-Y671 PolarHBondContact O-N 3.41Å; I656-G672 PolarHBondContact N-O 3.28Å; I656-G672 PolarHBondContact O-N 3.42Å; I656-I674 HydrophobicContact CD1-CG1 4.05Å; I656-I674 HydrophobicContact CG1-CD1 4.33Å; I656-I674 HydrophobicContact CG1-CG1 3.89Å; I656-K679 HydrophobicContact CD1-CB 3.83Å; I656-K679 HydrophobicContact CD1-CD 4.2Å; I656-K679 HydrophobicContact CD1-CG 3.87Å; I656-I703 WeakPolarHBondContact O-CD1 3.44Å
657	F	97.7	Very high	96.5	Very high	20 Å²	20	57.7 Å²	57.7	9%	0.088	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	155	179.1	-63.2	-88.7	0	0	0	110.8	K649 F650 V652 F655 H668 K669 A670 I703	K649-F657 CarbonylContact C-O 3.51Å; K649-F657 VanDerWaalsContact CA-O 3.27Å; K649-F657 WeakPolarHBondContact CA-O 3.47Å; F650-F657 HydrophobicContact CD1-CB 4.28Å; F650-F657 HydrophobicContact CE1-CB 3.7Å; F650-F657 HydrophobicContact CE2-CB 4.12Å; F650-F657 HydrophobicContact CZ-CB 3.62Å; F650-F657 HydrophobicContact CZ-CG 4.4Å; F650-F657 PolarHBondContact N-O 2.94Å; F650-F657 PolarHBondContact O-N 3.06Å; V652-F657 HydrophobicContact CB-CD2 4.28Å; V652-F657 HydrophobicContact CB-CE2 4.04Å; V652-F657 HydrophobicContact CG2-CD2 4.08Å; V652-F657 HydrophobicContact CG2-CE2 4.25Å; F655-F657 HydrophobicContact CB-CD2 4.41Å; F655-F657 HydrophobicContact CB-CE2 3.6Å; F655-F657 HydrophobicContact CB-CZ 4.1Å; F657-H668 HydrophobicContact CB-CB 4.3Å; F657-H668 HydrophobicContact CD1-CB 3.82Å; F657-H668 HydrophobicContact CE1-CB 4.43Å; F657-H668 HydrophobicContact CG-CB 4.16Å; F657-K669 CarbonylContact C-O 3.55Å; F657-K669 WeakPolarHBondContact CA-O 3.48Å; F657-A670 HydrophobicContact CE1-CB 4.44Å; F657-I703 HydrophobicContact CD1-CD1 4.3Å; F657-I703 HydrophobicContact CE1-CD1 3.88Å; F657-I703 HydrophobicContact CE1-CG1 3.9Å; F657-I703 HydrophobicContact CE2-CD1 4.46Å; F657-I703 HydrophobicContact CZ-CD1 3.96Å; F657-I703 HydrophobicContact CZ-CG1 3.95Å
658	V	97.9	Very high	96.4	Very high	25 Å²	25	57.4 Å²	57.4	15%	0.152	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	126.3	165.6	172.8	0	0	0	0	108.3	Q648 K649 T660 K669 Y671	Q648-V658 WeakPolarHBondContact O-CA 3.37Å; K649-V658 HydrophobicContact CG-CG2 3.72Å; V658-T660 PolarHBondContact O-N 2.99Å; V658-T660 VanDerWaalsContact O-N 3.16Å; V658-T660 PolarHBondContact O-OG1 2.87Å; V658-T660 VanDerWaalsContact O-OG1 3.11Å; V658-K669 HydrophobicContact CB-CB 4.44Å; V658-K669 PolarHBondContact N-O 3.28Å; V658-K669 PolarHBondContact O-N 2.85Å; V658-Y671 HydrophobicContact CG2-CD2 3.9Å; V658-Y671 HydrophobicContact CG2-CG 4.1Å
659	C	98.3	Very high	96.3	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	112.3	175.1	-169.8	0	0	0	0	109	G635 C636 V644 F646 G647 Q648 F650	G635-C659 VanDerWaalsContact C-SG 3.54Å; C636-C659 HydrophobicContact CB-CB 3.67Å; C636-C659 WeakPolarHBondContact CB-SG 3.46Å; C636-C659 PolarHBondContact N-SG 2.84Å; C636-C659 WeakPolarHBondContact SG-CA 3.16Å; C636-C659 WeakPolarHBondContact SG-CB 3.48Å; C636-C659 CovalentContact SG-SG 2.04Å; C636-C659 PolarHBondContact SG-SG 3.16Å; V644-C659 HydrophobicContact CG2-CB 4.11Å; F646-C659 CarbonylContact C-O 3.55Å; F646-C659 WeakPolarHBondContact CA-O 3.43Å; F646-C659 VanDerWaalsContact CD1-SG 3.59Å; G647-C659 PolarHBondContact N-O 2.05Å; Q648-C659 PolarHBondContact O-N 2.99Å; F650-C659 HydrophobicContact CD1-CB 4.25Å; F650-C659 HydrophobicContact CE1-CB 3.91Å
660	T	97.6	Very high	96.3	Very high	32 Å²	32	55.2 Å²	55.2	20%	0.196	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.3	-172.7	-49.8	0	0	0	0	110.4	V658 G666 F667 K669	V658-T660 PolarHBondContact O-N 2.99Å; V658-T660 VanDerWaalsContact O-N 3.16Å; V658-T660 PolarHBondContact O-OG1 2.87Å; V658-T660 VanDerWaalsContact O-OG1 3.11Å; T660-G666 CarbonylContact O-C 3.5Å; T660-G666 WeakPolarHBondContact O-CA 3.36Å; T660-F667 HydrophobicContact CG2-CD1 4.34Å; T660-F667 HydrophobicContact CG2-CE1 3.46Å; T660-F667 VanDerWaalsContact CG2-CE1 3.46Å; T660-F667 HydrophobicContact CG2-CE2 4.2Å; T660-F667 HydrophobicContact CG2-CZ 3.38Å; T660-F667 PolarHBondContact N-O 3.4Å; T660-F667 PolarHBondContact O-N 3.17Å; T660-K669 WeakPolarHBondContact OG1-CB 3.05Å
661	K	97.2	Very high	96.3	Very high	109 Å²	109	57.9 Å²	57.9	47%	0.474	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	138.8	175.4	-168.7	175.8	178.3	171.9	0	109.5	F646 G663 G665	F646-K661 HydrophobicContact CD1-CB 3.7Å; F646-K661 HydrophobicContact CD2-CB 4.23Å; F646-K661 HydrophobicContact CD2-CD 4.18Å; F646-K661 HydrophobicContact CE1-CB 3.7Å; F646-K661 HydrophobicContact CE1-CG 4.2Å; F646-K661 HydrophobicContact CE2-CB 4.22Å; F646-K661 HydrophobicContact CE2-CD 3.83Å; F646-K661 HydrophobicContact CE2-CG 4.21Å; F646-K661 HydrophobicContact CG-CB 3.95Å; F646-K661 HydrophobicContact CZ-CB 3.95Å; F646-K661 HydrophobicContact CZ-CD 4.08Å; F646-K661 HydrophobicContact CZ-CG 3.97Å; K661-G663 WeakPolarHBondContact CE-O 3.45Å; K661-G665 WeakPolarHBondContact CA-O 3.27Å; K661-G665 WeakPolarHBondContact CG-O 3.34Å
662	D	95.8	Very high	96.3	Very high	121 Å²	121	55.6 Å²	55.6	65%	0.647	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.3	122.8	166.9	-178.1	20.4	0	0	0	109.3	N664 G665 F667	D662-N664 PolarHBondContact O-N 2.99Å; D662-N664 VanDerWaalsContact O-N 3.15Å; D662-G665 PolarHBondContact N-O 2.83Å; D662-G665 WeakPolarHBondContact O-CA 3.17Å; D662-G665 PolarHBondContact O-N 2.83Å; D662-F667 HydrophobicContact CB-CD1 4.3Å; D662-F667 HydrophobicContact CB-CE1 3.9Å
663	G	94.2	Very high	96.4	Very high	56 Å²	56	53.6 Å²	53.6	58%	0.577	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	-118	-167.4	0	0	0	0	0	112.4	K661	K661-G663 WeakPolarHBondContact CE-O 3.45Å
664	N	91.3	Very high	96.5	Very high	155 Å²	155	51.6 Å²	51.6	83%	0.829	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-5.7	174.8	-68.5	-29.1	0	0	0	113.6	D662	D662-N664 PolarHBondContact O-N 2.99Å; D662-N664 VanDerWaalsContact O-N 3.15Å
665	G	93.2	Very high	96.5	Very high	34 Å²	34	47.7 Å²	47.7	35%	0.351	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	159.3	179.4	0	0	0	0	0	113.3	K661 D662	K661-G665 WeakPolarHBondContact CA-O 3.27Å; K661-G665 WeakPolarHBondContact CG-O 3.34Å; D662-G665 PolarHBondContact N-O 2.83Å; D662-G665 WeakPolarHBondContact O-CA 3.17Å; D662-G665 PolarHBondContact O-N 2.83Å
666	G	95.1	Very high	96.5	Very high	15 Å²	15	52.8 Å²	52.8	16%	0.155	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.2	166.5	0	0	0	0	0	109.5	F618 T660	F618-G666 VanDerWaalsContact CE1-C 3.41Å; F618-G666 VanDerWaalsContact CE1-O 3.32Å; F618-G666 WeakPolarHBondContact CE1-O 3.49Å; F618-G666 WeakPolarHBondContact CZ-O 3.39Å; T660-G666 CarbonylContact O-C 3.5Å; T660-G666 WeakPolarHBondContact O-CA 3.36Å
667	F	95.6	Very high	96.4	Very high	89 Å²	89	55.1 Å²	55.1	39%	0.39	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	157.9	175.6	70.6	-81.2	0	0	0	111.8	T660 D662 K669	T660-F667 HydrophobicContact CG2-CD1 4.34Å; T660-F667 HydrophobicContact CG2-CE1 3.46Å; T660-F667 VanDerWaalsContact CG2-CE1 3.46Å; T660-F667 HydrophobicContact CG2-CE2 4.2Å; T660-F667 HydrophobicContact CG2-CZ 3.38Å; T660-F667 PolarHBondContact N-O 3.4Å; T660-F667 PolarHBondContact O-N 3.17Å; D662-F667 HydrophobicContact CB-CD1 4.3Å; D662-F667 HydrophobicContact CB-CE1 3.9Å; F667-K669 HydrophobicContact CD2-CB 4.33Å; F667-K669 HydrophobicContact CE2-CB 3.87Å; F667-K669 HydrophobicContact CE2-CG 4.37Å; F667-K669 PolarHBondContact O-N 2.72Å
668	H	96.1	Very high	96.4	Very high	51 Å²	51	60.8 Å²	60.8	24%	0.236	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	97.7	-179.2	-64.5	-173.6	0	0	0	108.6	G617 F618 F650 F657 A670	G617-H668 PolarHBondContact O-NE2 3.11Å; F618-H668 AromaticContact CD1-NE2 3.98Å; F618-H668 AromaticContact CE1-CD2 3.38Å; F618-H668 WeakPolarHBondContact CE1-CD2 3.41Å; F618-H668 AromaticContact CE1-NE2 3.45Å; F618-H668 WeakPolarHBondContact CE1-NE2 3.16Å; F618-H668 AromaticContact CZ-CD2 3.57Å; F618-H668 AromaticContact CZ-NE2 3.64Å; F650-H668 AromaticContact CE2-CE1 3.93Å; F650-H668 HydrophobicContact CZ-CB 4.24Å; F650-H668 AromaticContact CZ-CD2 3.61Å; F650-H668 AromaticContact CZ-CE1 3.77Å; F650-H668 AromaticContact CZ-CG 3.65Å; F650-H668 AromaticContact CZ-ND1 3.76Å; F650-H668 AromaticContact CZ-NE2 3.7Å; F657-H668 HydrophobicContact CB-CB 4.3Å; F657-H668 HydrophobicContact CD1-CB 3.82Å; F657-H668 HydrophobicContact CE1-CB 4.43Å; F657-H668 HydrophobicContact CG-CB 4.16Å; H668-A670 PolarHBondContact O-N 2.86Å
669	K	96.2	Very high	96.4	Very high	121 Å²	121	67.3 Å²	67.3	53%	0.526	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	118.6	179.3	-175.4	171.3	-178	173.2	0	109.8	F657 V658 T660 F667 Y671	F657-K669 CarbonylContact C-O 3.55Å; F657-K669 WeakPolarHBondContact CA-O 3.48Å; V658-K669 HydrophobicContact CB-CB 4.44Å; V658-K669 PolarHBondContact N-O 3.28Å; V658-K669 PolarHBondContact O-N 2.85Å; T660-K669 WeakPolarHBondContact OG1-CB 3.05Å; F667-K669 HydrophobicContact CD2-CB 4.33Å; F667-K669 HydrophobicContact CE2-CB 3.87Å; F667-K669 HydrophobicContact CE2-CG 4.37Å; F667-K669 PolarHBondContact O-N 2.72Å; K669-Y671 PolarHBondContact O-N 2.87Å
670	A	96.8	Very high	96.4	Very high	30 Å²	30	67.8 Å²	67.8	25%	0.248	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	129.6	177.6	0	0	0	0	0	112.2	F657 H668 M682 I703	F657-A670 HydrophobicContact CE1-CB 4.44Å; H668-A670 PolarHBondContact O-N 2.86Å; A670-M682 HydrophobicContact CB-CE 3.76Å; A670-I703 HydrophobicContact CB-CD1 3.7Å; A670-I703 HydrophobicContact CB-CG1 3.64Å
671	Y	97.7	Very high	96.4	Very high	69 Å²	69	70.8 Å²	70.8	27%	0.271	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	-35.6	-177.4	-176.4	-96.5	0	0	0	113.8	K649 I656 V658 K669 K681 M682	K649-Y671 HydrophobicContact CD-CD1 4.1Å; K649-Y671 HydrophobicContact CD-CE1 3.88Å; K649-Y671 VanDerWaalsContact CE-CZ 3.45Å; K649-Y671 PolarHBondContact NZ-OH 3.29Å; I656-Y671 HydrophobicContact CB-CD1 4.35Å; I656-Y671 HydrophobicContact CG2-CD1 3.83Å; I656-Y671 WeakPolarHBondContact O-CA 3.43Å; I656-Y671 WeakPolarHBondContact O-CB 3.03Å; I656-Y671 PolarHBondContact O-N 3.41Å; V658-Y671 HydrophobicContact CG2-CD2 3.9Å; V658-Y671 HydrophobicContact CG2-CG 4.1Å; K669-Y671 PolarHBondContact O-N 2.87Å; Y671-K681 HydrophobicContact CE1-CG 4.34Å; Y671-M682 PolarHBondContact O-N 2.88Å
672	G	98.2	Very high	96.4	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.6	-171.2	-177.9	0	0	0	0	0	115.1	I656 V680 I703	I656-G672 PolarHBondContact N-O 3.28Å; I656-G672 PolarHBondContact O-N 3.42Å; G672-V680 CarbonylContact C-O 3.52Å; G672-V680 WeakPolarHBondContact CA-O 3.49Å; G672-I703 VanDerWaalsContact O-CD1 3.25Å; G672-I703 WeakPolarHBondContact O-CD1 3.16Å
673	C	98.2	Very high	96.5	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	160.8	-176.7	-60.9	0	0	0	0	110.4	N654 I675 K679 V680 C695 I703 T705	N654-C673 CarbonylContact O-C 3.52Å; C673-I675 HydrophobicContact CB-CD1 4.22Å; C673-I675 HydrophobicContact CB-CG1 3.97Å; C673-K679 WeakPolarHBondContact O-CA 3.08Å; C673-V680 PolarHBondContact N-O 3.01Å; C673-V680 PolarHBondContact O-N 3.49Å; C673-C695 HydrophobicContact CB-CB 3.76Å; C673-C695 WeakPolarHBondContact CB-SG 3.48Å; C673-C695 PolarHBondContact N-SG 2.93Å; C673-C695 VanDerWaalsContact SG-CA 3.53Å; C673-C695 WeakPolarHBondContact SG-CB 3.47Å; C673-C695 CovalentContact SG-SG 2.04Å; C673-C695 PolarHBondContact SG-SG 3.12Å; C673-I703 WeakPolarHBondContact SG-CG2 3.13Å; C673-T705 HydrophobicContact CB-CG2 3.91Å
674	I	98	Very high	96.6	Very high	33 Å²	33	65.4 Å²	65.4	17%	0.169	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116	166.3	-55.7	178.6	0	0	0	106.9	T651 N654 I656 R678 K679	T651-I674 HydrophobicContact CG2-CD1 3.73Å; N654-I674 PolarHBondContact O-N 3.08Å; I656-I674 HydrophobicContact CD1-CG1 4.05Å; I656-I674 HydrophobicContact CG1-CD1 4.33Å; I656-I674 HydrophobicContact CG1-CG1 3.89Å; I674-R678 WeakPolarHBondContact CA-O 3.39Å; I674-K679 HydrophobicContact CG1-CG 4.49Å
675	I	97.2	Very high	96.9	Very high	17 Å²	17	61.5 Å²	61.5	9%	0.087	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	117.9	-177.4	-35.4	-175.3	0	0	0	107.4	C673 G677 R678 V680 V686 L688 Y693 T705	C673-I675 HydrophobicContact CB-CD1 4.22Å; C673-I675 HydrophobicContact CB-CG1 3.97Å; I675-G677 PolarHBondContact O-N 2.9Å; I675-R678 PolarHBondContact N-O 2.76Å; I675-R678 WeakPolarHBondContact O-CB 3.49Å; I675-R678 PolarHBondContact O-N 2.78Å; I675-V680 HydrophobicContact CD1-CG2 4.29Å; I675-V680 HydrophobicContact CG1-CG2 4.26Å; I675-V686 HydrophobicContact CB-CG1 4.27Å; I675-V686 HydrophobicContact CD1-CG1 3.99Å; I675-L688 HydrophobicContact CB-CD1 3.95Å; I675-L688 HydrophobicContact CG2-CD1 3.4Å; I675-L688 VanDerWaalsContact CG2-CD1 3.4Å; I675-Y693 HydrophobicContact CG2-CD1 4.45Å; I675-Y693 HydrophobicContact CG2-CG 4.34Å; I675-T705 HydrophobicContact CD1-CG2 3.63Å; I675-T705 HydrophobicContact CG1-CG2 3.88Å
676	E	95.8	Very high	97.1	Very high	119 Å²	119	60.8 Å²	60.8	56%	0.556	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.8	45.7	-168.3	-70.2	175.4	-136.6	0	0	112.8	R678 L688	E676-R678 PolarHBondContact O-N 2.93Å; E676-L688 HydrophobicContact CB-CD1 4.09Å; E676-L688 HydrophobicContact CB-CD2 4.12Å; E676-L688 HydrophobicContact CG-CD1 4.03Å; E676-L688 HydrophobicContact CG-CD2 4.45Å; E676-L688 WeakPolarHBondContact OE1-CB 3.39Å
677	G	96.8	Very high	97.2	Very high	61 Å²	61	63.7 Å²	63.7	63%	0.629	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	-13.4	-177.6	0	0	0	0	0	115.5	I675	I675-G677 PolarHBondContact O-N 2.9Å
678	R	97.5	Very high	97.3	Very high	139 Å²	139	59.8 Å²	59.8	53%	0.525	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	129.7	179.1	-57.2	-179	179.5	178.4	-1.6	110.6	I674 I675 E676 E687	I674-R678 WeakPolarHBondContact CA-O 3.39Å; I675-R678 PolarHBondContact N-O 2.76Å; I675-R678 WeakPolarHBondContact O-CB 3.49Å; I675-R678 PolarHBondContact O-N 2.78Å; E676-R678 PolarHBondContact O-N 2.93Å; R678-E687 PolarHBondContact NH1-O 2.73Å
679	K	97.9	Very high	97.2	Very high	163 Å²	163	60.2 Å²	60.2	71%	0.709	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.5	117.6	175.7	-62.1	-178.8	-179	175.9	0	109.6	I656 C673 I674	I656-K679 HydrophobicContact CD1-CB 3.83Å; I656-K679 HydrophobicContact CD1-CD 4.2Å; I656-K679 HydrophobicContact CD1-CG 3.87Å; C673-K679 WeakPolarHBondContact O-CA 3.08Å; I674-K679 HydrophobicContact CG1-CG 4.49Å
680	V	98.1	Very high	97.2	Very high	9 Å²	9	56.7 Å²	56.7	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126.9	-177.2	-176.6	0	0	0	0	108.1	G672 C673 I675 E684 V686 C695	G672-V680 CarbonylContact C-O 3.52Å; G672-V680 WeakPolarHBondContact CA-O 3.49Å; C673-V680 PolarHBondContact N-O 3.01Å; C673-V680 PolarHBondContact O-N 3.49Å; I675-V680 HydrophobicContact CD1-CG2 4.29Å; I675-V680 HydrophobicContact CG1-CG2 4.26Å; V680-E684 HydrophobicContact CG1-CB 3.65Å; V680-E684 WeakPolarHBondContact CG1-O 3.36Å; V680-V686 HydrophobicContact CG2-CB 3.92Å; V680-V686 HydrophobicContact CG2-CG1 3.78Å; V680-C695 HydrophobicContact CG1-CB 4.14Å
681	K	98	Very high	97.2	Very high	96 Å²	96	58.3 Å²	58.3	42%	0.417	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	164.4	178.4	-52.3	-179.6	-151.2	73.1	0	110.9	Y671 G683 E684	Y671-K681 HydrophobicContact CE1-CG 4.34Å; K681-G683 PolarHBondContact O-N 3.25Å; K681-E684 VanDerWaalsContact CB-CD 3.47Å; K681-E684 HydrophobicContact CB-CG 4.02Å; K681-E684 VanDerWaalsContact CB-OE2 3.27Å; K681-E684 WeakPolarHBondContact CB-OE2 3.25Å; K681-E684 WeakPolarHBondContact CD-OE1 3.3Å; K681-E684 VanDerWaalsContact CG-OE2 3.25Å; K681-E684 WeakPolarHBondContact CG-OE2 3.46Å; K681-E684 PolarHBondContact N-OE2 3.39Å; K681-E684 VanDerWaalsContact NZ-CD 3.33Å; K681-E684 IonicContact NZ-OE1 2.7Å; K681-E684 PolarHBondContact NZ-OE1 3.05Å; K681-E684 IonicContact NZ-OE2 3.72Å; K681-E684 PolarHBondContact NZ-OE2 3.24Å; K681-E684 WeakPolarHBondContact O-CB 3.49Å; K681-E684 PolarHBondContact O-N 2.93Å
682	M	97.1	Very high	97.2	Very high	56 Å²	56	55.2 Å²	55.2	28%	0.276	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	129.5	173.4	-165.9	59.6	65.8	0	0	111.4	A670 Y671 E684 P697 I703	A670-M682 HydrophobicContact CB-CE 3.76Å; Y671-M682 PolarHBondContact O-N 2.88Å; M682-E684 PolarHBondContact O-N 3.04Å; M682-P697 HydrophobicContact SD-CB 4.3Å; M682-P697 VanDerWaalsContact SD-CD 3.53Å; M682-P697 HydrophobicContact SD-CG 4.46Å; M682-I703 HydrophobicContact CE-CB 4.39Å; M682-I703 HydrophobicContact CE-CD1 3.83Å; M682-I703 HydrophobicContact CE-CG1 3.87Å; M682-I703 HydrophobicContact CE-CG2 3.84Å
683	G	96.6	Very high	97.2	Very high	39 Å²	39	56.5 Å²	56.5	40%	0.402	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	-14.3	-177.6	0	0	0	0	0	115.5	K681 K694 C695	K681-G683 PolarHBondContact O-N 3.25Å; G683-K694 WeakPolarHBondContact O-CE 3.43Å; G683-C695 WeakPolarHBondContact CA-O 3.43Å; G683-C695 PolarHBondContact N-O 2.95Å
684	E	97.6	Very high	97.2	Very high	77 Å²	77	60 Å²	60	36%	0.36	33%	0.326	S	S	.	.			trans	-75.9	156.7	175.6	-68.2	179.1	169	0	0	112	V680 K681 M682 C695	V680-E684 HydrophobicContact CG1-CB 3.65Å; V680-E684 WeakPolarHBondContact CG1-O 3.36Å; K681-E684 VanDerWaalsContact CB-CD 3.47Å; K681-E684 HydrophobicContact CB-CG 4.02Å; K681-E684 VanDerWaalsContact CB-OE2 3.27Å; K681-E684 WeakPolarHBondContact CB-OE2 3.25Å; K681-E684 WeakPolarHBondContact CD-OE1 3.3Å; K681-E684 VanDerWaalsContact CG-OE2 3.25Å; K681-E684 WeakPolarHBondContact CG-OE2 3.46Å; K681-E684 PolarHBondContact N-OE2 3.39Å; K681-E684 VanDerWaalsContact NZ-CD 3.33Å; K681-E684 IonicContact NZ-OE1 2.7Å; K681-E684 PolarHBondContact NZ-OE1 3.05Å; K681-E684 IonicContact NZ-OE2 3.72Å; K681-E684 PolarHBondContact NZ-OE2 3.24Å; K681-E684 WeakPolarHBondContact O-CB 3.49Å; K681-E684 PolarHBondContact O-N 2.93Å; M682-E684 PolarHBondContact O-N 3.04Å; E684-C695 PolarHBondContact O-N 3.39Å
685	T	97.2	Very high	97.2	Very high	74 Å²	74	58.4 Å²	58.4	45%	0.454	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	147.9	177.4	45.9	0	0	0	0	111.7	V692 Y693 K694	T685-V692 HydrophobicContact CG2-CG1 4.04Å; T685-Y693 CarbonylContact C-O 3.51Å; T685-Y693 WeakPolarHBondContact CA-O 3.5Å; T685-K694 HydrophobicContact CG2-CB 3.92Å; T685-K694 HydrophobicContact CG2-CD 4.1Å; T685-K694 HydrophobicContact CG2-CG 3.84Å
686	V	97.8	Very high	97.2	Very high	18 Å²	18	59.6 Å²	59.6	11%	0.109	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	135.7	171.9	66.4	0	0	0	0	110.4	I675 V680 L688 Y693	I675-V686 HydrophobicContact CB-CG1 4.27Å; I675-V686 HydrophobicContact CD1-CG1 3.99Å; V680-V686 HydrophobicContact CG2-CB 3.92Å; V680-V686 HydrophobicContact CG2-CG1 3.78Å; V686-L688 HydrophobicContact CG1-CD1 3.9Å; V686-L688 HydrophobicContact CG1-CG 4.14Å; V686-L688 HydrophobicContact CG2-CD2 4.24Å; V686-L688 HydrophobicContact CG2-CG 4.2Å; V686-Y693 PolarHBondContact N-O 3.16Å; V686-Y693 PolarHBondContact O-N 3.46Å
687	E	97.6	Very high	97.2	Very high	77 Å²	77	57.7 Å²	57.7	36%	0.36	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.8	171.2	-61.8	-176.1	-160.8	0	0	111	R678 V692 L711 R715	R678-E687 PolarHBondContact NH1-O 2.73Å; E687-V692 HydrophobicContact CG-CG2 4.34Å; E687-L711 HydrophobicContact CB-CD1 3.85Å; E687-L711 HydrophobicContact CG-CD1 3.95Å; E687-L711 HydrophobicContact CG-CD2 4.1Å; E687-R715 IonicContact OE2-CZ 2.8Å; E687-R715 IonicContact OE2-NE 2.78Å; E687-R715 PolarHBondContact OE2-NE 2.64Å; E687-R715 IonicContact OE2-NH2 3.32Å; E687-R715 PolarHBondContact OE2-NH2 2.98Å
688	L	96.2	Very high	97.1	Very high	7 Å²	7	56.3 Å²	56.3	4%	0.037	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	131.2	176.7	-60.8	170.1	0	0	0	109.3	I675 E676 V686 A690 Y691 Y693	I675-L688 HydrophobicContact CB-CD1 3.95Å; I675-L688 HydrophobicContact CG2-CD1 3.4Å; I675-L688 VanDerWaalsContact CG2-CD1 3.4Å; E676-L688 HydrophobicContact CB-CD1 4.09Å; E676-L688 HydrophobicContact CB-CD2 4.12Å; E676-L688 HydrophobicContact CG-CD1 4.03Å; E676-L688 HydrophobicContact CG-CD2 4.45Å; E676-L688 WeakPolarHBondContact OE1-CB 3.39Å; V686-L688 HydrophobicContact CG1-CD1 3.9Å; V686-L688 HydrophobicContact CG1-CG 4.14Å; V686-L688 HydrophobicContact CG2-CD2 4.24Å; V686-L688 HydrophobicContact CG2-CG 4.2Å; L688-A690 PolarHBondContact O-N 3.37Å; L688-Y691 PolarHBondContact N-O 3.19Å; L688-Y691 PolarHBondContact O-N 2.72Å; L688-Y693 HydrophobicContact CB-CD2 3.88Å; L688-Y693 HydrophobicContact CB-CE2 3.82Å; L688-Y693 HydrophobicContact CD1-CD2 3.95Å; L688-Y693 HydrophobicContact CD1-CE2 4.29Å; L688-Y693 HydrophobicContact CG-CD2 4.26Å
689	G	95.8	Very high	96.7	Very high	60 Å²	60	53.6 Å²	53.6	62%	0.619	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	-121.7	-172.2	0	0	0	0	0	112.5	R715	G689-R715 PolarHBondContact O-NH1 3.37Å
690	A	95.8	Very high	96.2	Very high	46 Å²	46	52.1 Å²	52.1	38%	0.38	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	13.4	177.6	0	0	0	0	0	113.9	L688 C710 L711	L688-A690 PolarHBondContact O-N 3.37Å; A690-C710 CarbonylContact O-C 3.54Å; A690-C710 WeakPolarHBondContact O-CA 3.34Å; A690-L711 PolarHBondContact O-N 2.93Å
691	Y	97.2	Very high	95.7	Very high	64 Å²	64	53.9 Å²	53.9	25%	0.251	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	156.2	-169.5	-54.4	-61.9	0	0	0	113	L688 I707 L711 V740	L688-Y691 PolarHBondContact N-O 3.19Å; L688-Y691 PolarHBondContact O-N 2.72Å; Y691-I707 HydrophobicContact CD1-CG2 4.45Å; Y691-I707 HydrophobicContact CG-CG2 4.49Å; Y691-L711 WeakPolarHBondContact O-CD1 3.08Å; Y691-V740 HydrophobicContact CD1-CB 4.4Å; Y691-V740 HydrophobicContact CD1-CG1 3.89Å; Y691-V740 HydrophobicContact CE1-CB 4.31Å; Y691-V740 HydrophobicContact CE1-CG1 3.86Å; Y691-V740 PolarHBondContact OH-O 3.27Å
692	V	97.4	Very high	95.4	Very high	4 Å²	4	50 Å²	50	2%	0.024	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	108.1	172	-172.2	0	0	0	0	109.3	T685 E687 S708 G709 L711 Q717	T685-V692 HydrophobicContact CG2-CG1 4.04Å; E687-V692 HydrophobicContact CG-CG2 4.34Å; V692-S708 PolarHBondContact O-N 3Å; V692-S708 PolarHBondContact O-OG 2.8Å; V692-G709 PolarHBondContact N-O 2.8Å; V692-L711 HydrophobicContact CG2-CD1 4.17Å; V692-L711 HydrophobicContact CG2-CD2 3.49Å; V692-L711 VanDerWaalsContact CG2-CD2 3.49Å; V692-L711 HydrophobicContact CG2-CG 3.7Å; V692-Q717 HydrophobicContact CB-CG 4.26Å; V692-Q717 HydrophobicContact CG2-CB 4.08Å; V692-Q717 HydrophobicContact CG2-CG 3.76Å
693	Y	97.8	Very high	95.4	Very high	27 Å²	27	47.4 Å²	47.4	11%	0.106	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	148.1	176.4	-67.4	-95.6	0	0	0	110.6	I675 T685 V686 L688 I707	I675-Y693 HydrophobicContact CG2-CD1 4.45Å; I675-Y693 HydrophobicContact CG2-CG 4.34Å; T685-Y693 CarbonylContact C-O 3.51Å; T685-Y693 WeakPolarHBondContact CA-O 3.5Å; V686-Y693 PolarHBondContact N-O 3.16Å; V686-Y693 PolarHBondContact O-N 3.46Å; L688-Y693 HydrophobicContact CB-CD2 3.88Å; L688-Y693 HydrophobicContact CB-CE2 3.82Å; L688-Y693 HydrophobicContact CD1-CD2 3.95Å; L688-Y693 HydrophobicContact CD1-CE2 4.29Å; L688-Y693 HydrophobicContact CG-CD2 4.26Å; Y693-I707 HydrophobicContact CD1-CG1 3.77Å; Y693-I707 HydrophobicContact CE1-CD1 4.04Å; Y693-I707 HydrophobicContact CE1-CG1 3.48Å; Y693-I707 VanDerWaalsContact CE1-CG1 3.48Å
694	K	97.3	Very high	95.4	Very high	73 Å²	73	49.7 Å²	49.7	32%	0.317	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	138.9	175	-166.3	172.1	-175.1	178.5	0	110.4	G683 T685 L696 E706	G683-K694 WeakPolarHBondContact O-CE 3.43Å; T685-K694 HydrophobicContact CG2-CB 3.92Å; T685-K694 HydrophobicContact CG2-CD 4.1Å; T685-K694 HydrophobicContact CG2-CG 3.84Å; K694-L696 HydrophobicContact CD-CD2 3.87Å; K694-L696 HydrophobicContact CD-CG 4.34Å; K694-L696 HydrophobicContact CG-CD2 4.09Å; K694-L696 HydrophobicContact CG-CG 4.2Å; K694-E706 PolarHBondContact N-O 2.95Å; K694-E706 PolarHBondContact O-N 2.7Å
695	C	98	Very high	95.3	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	124.8	170.6	-168	0	0	0	0	109.9	C673 V680 G683 E684	C673-C695 HydrophobicContact CB-CB 3.76Å; C673-C695 WeakPolarHBondContact CB-SG 3.48Å; C673-C695 PolarHBondContact N-SG 2.93Å; C673-C695 VanDerWaalsContact SG-CA 3.53Å; C673-C695 WeakPolarHBondContact SG-CB 3.47Å; C673-C695 CovalentContact SG-SG 2.04Å; C673-C695 PolarHBondContact SG-SG 3.12Å; V680-C695 HydrophobicContact CG1-CB 4.14Å; G683-C695 WeakPolarHBondContact CA-O 3.43Å; G683-C695 PolarHBondContact N-O 2.95Å; E684-C695 PolarHBondContact O-N 3.39Å
696	L	97.2	Very high	95.3	Very high	43 Å²	43	47.7 Å²	47.7	23%	0.225	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	150.4	-175.8	-69	178.8	0	0	0	111.9	K694 R704 E706	K694-L696 HydrophobicContact CD-CD2 3.87Å; K694-L696 HydrophobicContact CD-CG 4.34Å; K694-L696 HydrophobicContact CG-CD2 4.09Å; K694-L696 HydrophobicContact CG-CG 4.2Å; L696-R704 HydrophobicContact CB-CG 4.27Å; L696-R704 PolarHBondContact N-O 3.29Å; L696-R704 PolarHBondContact O-N 3.38Å; L696-R704 VanDerWaalsContact O-O 3.11Å; L696-E706 HydrophobicContact CD1-CB 4.1Å
697	P	95.8	Very high	95.2	Very high	79 Å²	79	48.5 Å²	48.5	51%	0.513	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	151.7	171.8	31.8	-33.9	0	0	0	110	M682	M682-P697 HydrophobicContact SD-CB 4.3Å; M682-P697 VanDerWaalsContact SD-CD 3.53Å; M682-P697 HydrophobicContact SD-CG 4.46Å
698	S	94.8	Very high	95.2	Very high	32 Å²	32	46.1 Å²	46.1	22%	0.224	29%	0.294	C	S	.	.			trans	-104.7	160.8	165.2	-163	0	0	0	0	110.2	D700 G701 G702	S698-D700 VanDerWaalsContact C-N 3.31Å; S698-D700 PolarHBondContact O-N 2.88Å; S698-G701 PolarHBondContact O-N 3.17Å; S698-G701 VanDerWaalsContact O-N 3.17Å; S698-G702 PolarHBondContact N-O 2.77Å
699	G	89.1	Confident	95.2	Very high	81 Å²	81	45.8 Å²	45.8	84%	0.835	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-41.4	-171.2	0	0	0	0	0	114	G701	G699-G701 PolarHBondContact O-N 2.88Å
700	D	87.7	Confident	95.3	Very high	132 Å²	132	43 Å²	43	71%	0.706	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	17.5	-177.7	-55.5	-17.7	0	0	0	113.8	S65 S698 G702	S65-D700 PolarHBondContact OG-OD2 2.91Å; S698-D700 VanDerWaalsContact C-N 3.31Å; S698-D700 PolarHBondContact O-N 2.88Å; D700-G702 PolarHBondContact O-N 3.15Å
701	G	87.6	Confident	95.4	Very high	47 Å²	47	41.1 Å²	41.1	49%	0.485	25%	0.246	S	C	.	.	S	Bend	trans	73.5	2.5	-169.4	0	0	0	0	0	114.3	S698 G699	S698-G701 PolarHBondContact O-N 3.17Å; S698-G701 VanDerWaalsContact O-N 3.17Å; G699-G701 PolarHBondContact O-N 2.88Å
702	G	92.2	Very high	95.4	Very high	13 Å²	13	39.4 Å²	39.4	13%	0.134	24%	0.242	C	C	.	.			trans	-70	-173.6	172.7	0	0	0	0	0	113.2	S698 D700	S698-G702 PolarHBondContact N-O 2.77Å; D700-G702 PolarHBondContact O-N 3.15Å
703	I	96.4	Very high	95.3	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	144.9	180	-50.2	-172.5	0	0	0	108.7	F655 I656 F657 A670 G672 C673 M682	F655-I703 HydrophobicContact CB-CB 4.39Å; F655-I703 HydrophobicContact CB-CD1 4.23Å; F655-I703 HydrophobicContact CD1-CB 3.51Å; F655-I703 HydrophobicContact CD1-CG2 3.47Å; F655-I703 VanDerWaalsContact CD1-CG2 3.47Å; F655-I703 HydrophobicContact CE1-CB 3.95Å; F655-I703 HydrophobicContact CE1-CG2 3.79Å; F655-I703 HydrophobicContact CG-CB 4.02Å; F655-I703 HydrophobicContact CG-CG2 4.41Å; F655-I703 WeakPolarHBondContact CZ-O 3.44Å; I656-I703 WeakPolarHBondContact O-CD1 3.44Å; F657-I703 HydrophobicContact CD1-CD1 4.3Å; F657-I703 HydrophobicContact CE1-CD1 3.88Å; F657-I703 HydrophobicContact CE1-CG1 3.9Å; F657-I703 HydrophobicContact CE2-CD1 4.46Å; F657-I703 HydrophobicContact CZ-CD1 3.96Å; F657-I703 HydrophobicContact CZ-CG1 3.95Å; A670-I703 HydrophobicContact CB-CD1 3.7Å; A670-I703 HydrophobicContact CB-CG1 3.64Å; G672-I703 VanDerWaalsContact O-CD1 3.25Å; G672-I703 WeakPolarHBondContact O-CD1 3.16Å; C673-I703 WeakPolarHBondContact SG-CG2 3.13Å; M682-I703 HydrophobicContact CE-CB 4.39Å; M682-I703 HydrophobicContact CE-CD1 3.83Å; M682-I703 HydrophobicContact CE-CG1 3.87Å; M682-I703 HydrophobicContact CE-CG2 3.84Å
704	R	96.6	Very high	95.2	Very high	87 Å²	87	50.6 Å²	50.6	33%	0.328	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	148.5	170.3	74.7	-174.8	-158.3	-164.6	3.2	111.6	E63 L696 E706	E63-R704 IonicContact OE1-NH1 2.9Å; L696-R704 HydrophobicContact CB-CG 4.27Å; L696-R704 PolarHBondContact N-O 3.29Å; L696-R704 PolarHBondContact O-N 3.38Å; L696-R704 VanDerWaalsContact O-O 3.11Å; R704-E706 IonicContact CZ-OE2 3.75Å; R704-E706 IonicContact NE-OE2 2.67Å; R704-E706 PolarHBondContact NE-OE2 2.76Å; R704-E706 IonicContact NH2-OE2 2.63Å; R704-E706 PolarHBondContact NH2-OE2 3.49Å
705	T	96.7	Very high	95.2	Very high	61 Å²	61	52.5 Å²	52.5	37%	0.374	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	129.5	166.7	47.1	0	0	0	0	109.1	F655 C673 I675	F655-T705 HydrophobicContact CE1-CG2 4.44Å; C673-T705 HydrophobicContact CB-CG2 3.91Å; I675-T705 HydrophobicContact CD1-CG2 3.63Å; I675-T705 HydrophobicContact CG1-CG2 3.88Å
706	E	95.5	Very high	95.2	Very high	49 Å²	49	59.3 Å²	59.3	23%	0.229	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	134.8	175.9	179.3	154	-158.7	0	0	109.7	K694 L696 R704 S708 K735	K694-E706 PolarHBondContact N-O 2.95Å; K694-E706 PolarHBondContact O-N 2.7Å; L696-E706 HydrophobicContact CD1-CB 4.1Å; R704-E706 IonicContact CZ-OE2 3.75Å; R704-E706 IonicContact NE-OE2 2.67Å; R704-E706 PolarHBondContact NE-OE2 2.76Å; R704-E706 IonicContact NH2-OE2 2.63Å; R704-E706 PolarHBondContact NH2-OE2 3.49Å; E706-S708 PolarHBondContact O-N 2.94Å; E706-K735 IonicContact OE1-NZ 2.72Å; E706-K735 PolarHBondContact OE1-NZ 3.16Å
707	I	96.9	Very high	95.2	Very high	34 Å²	34	61.1 Å²	61.1	17%	0.174	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	131.6	168.3	-58.7	170.5	0	0	0	107.2	Y691 Y693 G709 F720 V740	Y691-I707 HydrophobicContact CD1-CG2 4.45Å; Y691-I707 HydrophobicContact CG-CG2 4.49Å; Y693-I707 HydrophobicContact CD1-CG1 3.77Å; Y693-I707 HydrophobicContact CE1-CD1 4.04Å; Y693-I707 HydrophobicContact CE1-CG1 3.48Å; Y693-I707 VanDerWaalsContact CE1-CG1 3.48Å; I707-G709 WeakPolarHBondContact CG2-O 3.34Å; I707-F720 HydrophobicContact CG2-CZ 4.24Å; I707-F720 VanDerWaalsContact O-CE2 3.29Å; I707-F720 WeakPolarHBondContact O-CE2 3.29Å; I707-F720 WeakPolarHBondContact O-CZ 3.18Å; I707-V740 HydrophobicContact CB-CB 4.45Å; I707-V740 HydrophobicContact CB-CG2 3.79Å; I707-V740 HydrophobicContact CD1-CB 4.01Å; I707-V740 HydrophobicContact CD1-CG2 4Å; I707-V740 HydrophobicContact CG1-CG2 4.49Å; I707-V740 HydrophobicContact CG2-CB 3.99Å; I707-V740 HydrophobicContact CG2-CG1 4.08Å; I707-V740 HydrophobicContact CG2-CG2 3.68Å
708	S	96.4	Very high	95.3	Very high	28 Å²	28	57.9 Å²	57.9	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	-13.4	-176.3	66.8	0	0	0	0	113.8	V692 E706 Q717	V692-S708 PolarHBondContact O-N 3Å; V692-S708 PolarHBondContact O-OG 2.8Å; E706-S708 PolarHBondContact O-N 2.94Å; S708-Q717 PolarHBondContact OG-NE2 2.92Å; S708-Q717 VanDerWaalsContact OG-NE2 3.16Å
709	G	97.5	Very high	95.4	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.7	179.2	179.2	0	0	0	0	0	112.6	V692 I707 I718	V692-G709 PolarHBondContact N-O 2.8Å; I707-G709 WeakPolarHBondContact CG2-O 3.34Å; G709-I718 CarbonylContact C-O 3.51Å; G709-I718 WeakPolarHBondContact CA-O 3.29Å
710	C	97.9	Very high	95.8	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	170	176.2	-50.2	0	0	0	0	109.8	A690 I718 C733 V740 S742	A690-C710 CarbonylContact O-C 3.54Å; A690-C710 WeakPolarHBondContact O-CA 3.34Å; C710-I718 PolarHBondContact N-O 3.05Å; C710-I718 PolarHBondContact O-N 3.1Å; C710-C733 HydrophobicContact CB-CB 3.73Å; C710-C733 WeakPolarHBondContact CB-SG 3.48Å; C710-C733 PolarHBondContact N-SG 3.45Å; C710-C733 WeakPolarHBondContact SG-CA 3.04Å; C710-C733 WeakPolarHBondContact SG-CB 3.25Å; C710-C733 CovalentContact SG-SG 2.05Å; C710-C733 PolarHBondContact SG-SG 2.94Å; C710-V740 VanDerWaalsContact SG-CG1 3.55Å; C710-S742 WeakPolarHBondContact CB-OG 3.4Å
711	L	97.3	Very high	96.2	Very high	8 Å²	8	58 Å²	58	4%	0.042	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.7	173.2	-67.6	165.3	0	0	0	110.1	E687 A690 Y691 V692 R715 K716	E687-L711 HydrophobicContact CB-CD1 3.85Å; E687-L711 HydrophobicContact CG-CD1 3.95Å; E687-L711 HydrophobicContact CG-CD2 4.1Å; A690-L711 PolarHBondContact O-N 2.93Å; Y691-L711 WeakPolarHBondContact O-CD1 3.08Å; V692-L711 HydrophobicContact CG2-CD1 4.17Å; V692-L711 HydrophobicContact CG2-CD2 3.49Å; V692-L711 VanDerWaalsContact CG2-CD2 3.49Å; V692-L711 HydrophobicContact CG2-CG 3.7Å; L711-R715 WeakPolarHBondContact CD2-O 3.47Å; L711-K716 WeakPolarHBondContact CA-O 3.09Å
712	D	96.5	Very high	96.7	Very high	28 Å²	28	60.2 Å²	60.2	15%	0.15	30%	0.302	C	S	.	.			trans	-81.4	178.5	166.8	74.5	10.2	0	0	0	111.7	S714 R715 K716 I718 Y724	D712-S714 PolarHBondContact O-N 2.86Å; D712-S714 VanDerWaalsContact OD1-C 3.25Å; D712-S714 VanDerWaalsContact OD1-CA 3.25Å; D712-S714 WeakPolarHBondContact OD1-CA 3.16Å; D712-S714 VanDerWaalsContact OD1-CB 3.3Å; D712-S714 WeakPolarHBondContact OD1-CB 3.39Å; D712-S714 PolarHBondContact OD1-N 2.92Å; D712-R715 PolarHBondContact O-N 2.04Å; D712-R715 PolarHBondContact OD1-N 3.03Å; D712-R715 VanDerWaalsContact OD1-N 3.11Å; D712-K716 PolarHBondContact N-O 2.9Å; D712-K716 WeakPolarHBondContact OD1-CB 3.44Å; D712-K716 PolarHBondContact OD1-N 2.89Å; D712-K716 WeakPolarHBondContact OD2-CB 3.32Å; D712-I718 HydrophobicContact CB-CG1 4.44Å; D712-Y724 HydrophobicContact CB-CD2 3.51Å; D712-Y724 HydrophobicContact CB-CE2 3.71Å; D712-Y724 HydrophobicContact CB-CG 4.19Å
713	K	95.4	Very high	97	Very high	161 Å²	161	64.2 Å²	64.2	70%	0.7	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-19.9	177.6	-73.4	-172.2	-177.3	148.2	0	113.9	R715 D726	K713-R715 VanDerWaalsContact C-N 3.3Å; K713-D726 WeakPolarHBondContact CD-OD1 3.4Å; K713-D726 WeakPolarHBondContact CE-OD1 3.03Å; K713-D726 WeakPolarHBondContact CE-OD2 3.46Å; K713-D726 IonicContact NZ-OD1 2.72Å; K713-D726 PolarHBondContact NZ-OD1 3.46Å; K713-D726 IonicContact NZ-OD2 2.72Å; K713-D726 PolarHBondContact NZ-OD2 2.88Å
714	S	96.6	Very high	97	Very high	104 Å²	104	65.4 Å²	65.4	73%	0.727	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	9.7	176.6	-53.4	0	0	0	0	112.5	D712 K716	D712-S714 PolarHBondContact O-N 2.86Å; D712-S714 VanDerWaalsContact OD1-C 3.25Å; D712-S714 VanDerWaalsContact OD1-CA 3.25Å; D712-S714 WeakPolarHBondContact OD1-CA 3.16Å; D712-S714 VanDerWaalsContact OD1-CB 3.3Å; D712-S714 WeakPolarHBondContact OD1-CB 3.39Å; D712-S714 PolarHBondContact OD1-N 2.92Å; S714-K716 PolarHBondContact O-N 3.3Å
715	R	96.7	Very high	97.1	Very high	114 Å²	114	66.9 Å²	66.9	43%	0.43	32%	0.323	S	S	.	.			trans	62.2	19.2	-175.2	-52.8	-61.7	-64	-171.7	-6.5	114.3	E687 G689 L711 D712 K713	E687-R715 IonicContact OE2-CZ 2.8Å; E687-R715 IonicContact OE2-NE 2.78Å; E687-R715 PolarHBondContact OE2-NE 2.64Å; E687-R715 IonicContact OE2-NH2 3.32Å; E687-R715 PolarHBondContact OE2-NH2 2.98Å; G689-R715 PolarHBondContact O-NH1 3.37Å; L711-R715 WeakPolarHBondContact CD2-O 3.47Å; D712-R715 PolarHBondContact O-N 2.04Å; D712-R715 PolarHBondContact OD1-N 3.03Å; D712-R715 VanDerWaalsContact OD1-N 3.11Å; K713-R715 VanDerWaalsContact C-N 3.3Å
716	K	97.6	Very high	97	Very high	142 Å²	142	65.3 Å²	65.3	62%	0.617	31%	0.313	S	S	*	.			trans	-77.4	131.2	175.6	-169.8	175.9	-179.8	173.8	0	110.4	L711 D712 S714 I718	L711-K716 WeakPolarHBondContact CA-O 3.09Å; D712-K716 PolarHBondContact N-O 2.9Å; D712-K716 WeakPolarHBondContact OD1-CB 3.44Å; D712-K716 PolarHBondContact OD1-N 2.89Å; D712-K716 WeakPolarHBondContact OD2-CB 3.32Å; S714-K716 PolarHBondContact O-N 3.3Å; K716-I718 PolarHBondContact O-N 2.96Å
717	Q	97.4	Very high	97	Very high	81 Å²	81	65.8 Å²	65.8	38%	0.379	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	125.4	173.4	-176.1	178	26.5	0	0	111.3	V692 S708	V692-Q717 HydrophobicContact CB-CG 4.26Å; V692-Q717 HydrophobicContact CG2-CB 4.08Å; V692-Q717 HydrophobicContact CG2-CG 3.76Å; S708-Q717 PolarHBondContact OG-NE2 2.92Å; S708-Q717 VanDerWaalsContact OG-NE2 3.16Å
718	I	98.1	Very high	97	Very high	11 Å²	11	67 Å²	67	6%	0.056	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	119.8	173.9	-49.8	-55.6	0	0	0	108.3	G709 C710 D712 K716 Q722 Y724 C733	G709-I718 CarbonylContact C-O 3.51Å; G709-I718 WeakPolarHBondContact CA-O 3.29Å; C710-I718 PolarHBondContact N-O 3.05Å; C710-I718 PolarHBondContact O-N 3.1Å; D712-I718 HydrophobicContact CB-CG1 4.44Å; K716-I718 PolarHBondContact O-N 2.96Å; I718-Q722 HydrophobicContact CG2-CB 3.72Å; I718-Y724 HydrophobicContact CB-CD1 4.39Å; I718-Y724 HydrophobicContact CD1-CG 4.32Å; I718-Y724 HydrophobicContact CG1-CD1 3.84Å; I718-Y724 HydrophobicContact CG1-CE1 4.43Å; I718-Y724 HydrophobicContact CG1-CG 4.05Å; I718-Y724 HydrophobicContact CG2-CD1 4.04Å; I718-C733 HydrophobicContact CB-CB 4.39Å; I718-C733 HydrophobicContact CG2-CB 3.91Å
719	K	97.5	Very high	97	Very high	131 Å²	131	65.9 Å²	65.9	57%	0.57	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.3	162.8	179	-56.9	179.2	179.5	178.2	0	111.1	G721 Q722	K719-G721 PolarHBondContact O-N 2.81Å; K719-Q722 HydrophobicContact CB-CG 4.09Å; K719-Q722 VanDerWaalsContact O-CB 3.29Å; K719-Q722 WeakPolarHBondContact O-CB 3.18Å; K719-Q722 PolarHBondContact O-N 2.82Å; K719-Q722 VanDerWaalsContact O-N 3.08Å
720	F	96.6	Very high	97	Very high	69 Å²	69	65.9 Å²	65.9	30%	0.303	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	140.5	174.7	-62.3	-49.7	0	0	0	113	I707 Q722 K735 V740	I707-F720 HydrophobicContact CG2-CZ 4.24Å; I707-F720 VanDerWaalsContact O-CE2 3.29Å; I707-F720 WeakPolarHBondContact O-CE2 3.29Å; I707-F720 WeakPolarHBondContact O-CZ 3.18Å; F720-Q722 PolarHBondContact O-N 3.19Å; F720-Q722 VanDerWaalsContact O-N 3.12Å; F720-K735 HydrophobicContact CD1-CB 4.45Å; F720-V740 HydrophobicContact CE1-CB 4.23Å; F720-V740 HydrophobicContact CE1-CG1 3.71Å; F720-V740 HydrophobicContact CE1-CG2 3.42Å; F720-V740 VanDerWaalsContact CE1-CG2 3.42Å; F720-V740 HydrophobicContact CZ-CG2 3.64Å
721	G	96.8	Very high	97.1	Very high	47 Å²	47	66.9 Å²	66.9	49%	0.485	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	-22	-175.6	0	0	0	0	0	114.2	K719 Q732 C733	K719-G721 PolarHBondContact O-N 2.81Å; G721-Q732 PolarHBondContact O-NE2 3.31Å; G721-C733 PolarHBondContact N-O 3.25Å
722	Q	98.2	Very high	97.1	Very high	94 Å²	94	69 Å²	69	44%	0.439	35%	0.346	S	S	.	.			trans	-70.4	151.1	178.3	-62.8	-173.9	-38.4	0	0	111.9	I718 K719 F720 Q732 C733	I718-Q722 HydrophobicContact CG2-CB 3.72Å; K719-Q722 HydrophobicContact CB-CG 4.09Å; K719-Q722 VanDerWaalsContact O-CB 3.29Å; K719-Q722 WeakPolarHBondContact O-CB 3.18Å; K719-Q722 PolarHBondContact O-N 2.82Å; K719-Q722 VanDerWaalsContact O-N 3.08Å; F720-Q722 PolarHBondContact O-N 3.19Å; F720-Q722 VanDerWaalsContact O-N 3.12Å; Q722-Q732 WeakPolarHBondContact O-CA 3.44Å; Q722-C733 PolarHBondContact O-N 2.56Å
723	R	97.8	Very high	97.2	Very high	98 Å²	98	67.6 Å²	67.6	37%	0.37	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	151.6	179.3	-68.8	174.8	167.3	-149.5	-12.4	110.7	L730 Y731 Q732	R723-L730 HydrophobicContact CB-CD1 4.07Å; R723-Y731 CarbonylContact C-O 3.45Å; R723-Y731 WeakPolarHBondContact CA-O 3.12Å; R723-Y731 WeakPolarHBondContact CB-O 3.41Å; R723-Q732 HydrophobicContact CG-CB 3.95Å; R723-Q732 HydrophobicContact CG-CG 3.78Å; R723-Q732 VanDerWaalsContact NH2-OE1 3.08Å
724	Y	97.8	Very high	97.2	Very high	27 Å²	27	65.8 Å²	65.8	11%	0.106	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.7	174.3	70.4	-83.5	0	0	0	111.3	D712 I718 D726 Y731 S742	D712-Y724 HydrophobicContact CB-CD2 3.51Å; D712-Y724 HydrophobicContact CB-CE2 3.71Å; D712-Y724 HydrophobicContact CB-CG 4.19Å; I718-Y724 HydrophobicContact CB-CD1 4.39Å; I718-Y724 HydrophobicContact CD1-CG 4.32Å; I718-Y724 HydrophobicContact CG1-CD1 3.84Å; I718-Y724 HydrophobicContact CG1-CE1 4.43Å; I718-Y724 HydrophobicContact CG1-CG 4.05Å; I718-Y724 HydrophobicContact CG2-CD1 4.04Å; Y724-D726 HydrophobicContact CD2-CB 4.47Å; Y724-D726 HydrophobicContact CE2-CB 4.28Å; Y724-Y731 VanDerWaalsContact CE1-CB 3.45Å; Y724-Y731 HydrophobicContact CE1-CG 4.42Å; Y724-Y731 HydrophobicContact CE2-CD2 4.27Å; Y724-Y731 HydrophobicContact CE2-CG 4.24Å; Y724-Y731 PolarHBondContact N-O 2.9Å; Y724-Y731 PolarHBondContact O-N 3.35Å; Y724-S742 WeakPolarHBondContact OH-CB 3.28Å; Y724-S742 PolarHBondContact OH-OG 2.82Å
725	R	96.8	Very high	97.2	Very high	117 Å²	117	66.4 Å²	66.4	44%	0.442	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.7	-177.2	-60	-172.2	171.4	-161.3	-3.7	109.1	L730 I748 D755 E757	R725-L730 HydrophobicContact CG-CD1 4.4Å; R725-I748 HydrophobicContact CB-CD1 3.5Å; R725-I748 VanDerWaalsContact CB-CD1 3.5Å; R725-I748 HydrophobicContact CG-CD1 3.5Å; R725-D755 PolarHBondContact NH1-O 3.01Å; R725-D755 PolarHBondContact NH2-O 2.94Å; R725-E757 IonicContact CZ-OE1 2.62Å; R725-E757 IonicContact NE-OE1 2.56Å; R725-E757 PolarHBondContact NE-OE1 2.95Å; R725-E757 IonicContact NH2-OE1 2.65Å; R725-E757 PolarHBondContact NH2-OE1 2.9Å
726	D	95.5	Very high	97.1	Very high	29 Å²	29	63.4 Å²	63.4	16%	0.155	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	109.3	172.1	171.2	28.1	0	0	0	110.2	K713 Y724 F729 Y731	K713-D726 WeakPolarHBondContact CD-OD1 3.4Å; K713-D726 WeakPolarHBondContact CE-OD1 3.03Å; K713-D726 WeakPolarHBondContact CE-OD2 3.46Å; K713-D726 IonicContact NZ-OD1 2.72Å; K713-D726 PolarHBondContact NZ-OD1 3.46Å; K713-D726 IonicContact NZ-OD2 2.72Å; K713-D726 PolarHBondContact NZ-OD2 2.88Å; Y724-D726 HydrophobicContact CD2-CB 4.47Å; Y724-D726 HydrophobicContact CE2-CB 4.28Å; D726-F729 PolarHBondContact N-O 2.87Å; D726-F729 PolarHBondContact O-N 3.06Å; D726-Y731 HydrophobicContact CB-CD2 3.85Å; D726-Y731 HydrophobicContact CB-CE2 3.69Å
727	G	95.2	Very high	96.8	Very high	58 Å²	58	66.6 Å²	66.6	60%	0.598	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.9	-139.8	-170	0	0	0	0	0	111.5	F729	G727-F729 PolarHBondContact O-N 3.32Å
728	P	96.4	Very high	96.5	Very high	59 Å²	59	68.9 Å²	68.9	38%	0.383	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	15.8	177.5	35.2	-34.1	0	0	0	113.2	I748	P728-I748 PolarHBondContact O-N 2.72Å
729	F	97.7	Very high	96.2	Very high	5 Å²	5	69.7 Å²	69.7	2%	0.022	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	143.7	-174.2	-60.1	-66.8	0	0	0	113	V49 D726 G727 Y731 L744 I748 A785	V49-F729 HydrophobicContact CB-CD2 4.27Å; V49-F729 HydrophobicContact CB-CE2 3.83Å; V49-F729 HydrophobicContact CB-CZ 4.28Å; V49-F729 HydrophobicContact CG2-CD2 3.93Å; V49-F729 HydrophobicContact CG2-CE2 3.31Å; V49-F729 HydrophobicContact CG2-CZ 4.06Å; D726-F729 PolarHBondContact N-O 2.87Å; D726-F729 PolarHBondContact O-N 3.06Å; G727-F729 PolarHBondContact O-N 3.32Å; F729-Y731 HydrophobicContact CB-CD2 4.41Å; F729-Y731 HydrophobicContact CB-CE2 3.76Å; F729-L744 HydrophobicContact CB-CD2 3.78Å; F729-L744 HydrophobicContact CD1-CD2 4.42Å; F729-L744 HydrophobicContact CG-CD2 4.16Å; F729-I748 WeakPolarHBondContact O-CD1 3.25Å; F729-A785 HydrophobicContact CD1-CB 3.48Å; F729-A785 VanDerWaalsContact CD1-CB 3.48Å; F729-A785 HydrophobicContact CE1-CB 3.54Å; F729-A785 WeakPolarHBondContact CE1-O 3.46Å; F729-A785 HydrophobicContact CG-CB 4.45Å; F729-A785 WeakPolarHBondContact CZ-O 3.42Å
730	L	98	Very high	96	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.6	176.1	-175.5	65.8	0	0	0	108.5	R723 R725 A745 G746 I748 E757	R723-L730 HydrophobicContact CB-CD1 4.07Å; R725-L730 HydrophobicContact CG-CD1 4.4Å; L730-A745 PolarHBondContact O-N 3.38Å; L730-G746 PolarHBondContact N-O 3.45Å; L730-G746 PolarHBondContact O-N 2.96Å; L730-I748 HydrophobicContact CB-CD1 4.47Å; L730-I748 HydrophobicContact CB-CG1 4.14Å; L730-E757 VanDerWaalsContact CD1-CD 3.48Å; L730-E757 HydrophobicContact CD1-CG 3.88Å; L730-E757 WeakPolarHBondContact CD1-OE2 3.41Å; L730-E757 HydrophobicContact CD2-CB 3.98Å; L730-E757 HydrophobicContact CD2-CG 3.86Å; L730-E757 WeakPolarHBondContact CD2-OE2 3.5Å; L730-E757 HydrophobicContact CG-CG 4.38Å
731	Y	98.2	Very high	96	Very high	20 Å²	20	62.3 Å²	62.3	8%	0.078	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	157.9	176.9	-67	-95.9	0	0	0	110.6	R723 Y724 D726 F729 V743 L744	R723-Y731 CarbonylContact C-O 3.45Å; R723-Y731 WeakPolarHBondContact CA-O 3.12Å; R723-Y731 WeakPolarHBondContact CB-O 3.41Å; Y724-Y731 VanDerWaalsContact CE1-CB 3.45Å; Y724-Y731 HydrophobicContact CE1-CG 4.42Å; Y724-Y731 HydrophobicContact CE2-CD2 4.27Å; Y724-Y731 HydrophobicContact CE2-CG 4.24Å; Y724-Y731 PolarHBondContact N-O 2.9Å; Y724-Y731 PolarHBondContact O-N 3.35Å; D726-Y731 HydrophobicContact CB-CD2 3.85Å; D726-Y731 HydrophobicContact CB-CE2 3.69Å; F729-Y731 HydrophobicContact CB-CD2 4.41Å; F729-Y731 HydrophobicContact CB-CE2 3.76Å; Y731-V743 CarbonylContact C-O 3.43Å; Y731-V743 VanDerWaalsContact CA-O 3.27Å; Y731-V743 WeakPolarHBondContact CA-O 3.25Å; Y731-L744 HydrophobicContact CD1-CD2 3.88Å; Y731-L744 HydrophobicContact CD1-CG 4.1Å; Y731-L744 HydrophobicContact CD2-CD2 4.45Å; Y731-L744 HydrophobicContact CE1-CD2 3.36Å; Y731-L744 HydrophobicContact CE1-CG 3.66Å; Y731-L744 HydrophobicContact CE2-CD2 4Å; Y731-L744 HydrophobicContact CG-CD2 4.41Å; Y731-L744 VanDerWaalsContact CZ-CD2 3.44Å
732	Q	98.1	Very high	96	Very high	52 Å²	52	61 Å²	61	24%	0.243	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	132.3	175.6	-167.8	162.3	-1	0	0	110.2	G721 Q722 R723 R734 V743 A745	G721-Q732 PolarHBondContact O-NE2 3.31Å; Q722-Q732 WeakPolarHBondContact O-CA 3.44Å; R723-Q732 HydrophobicContact CG-CB 3.95Å; R723-Q732 HydrophobicContact CG-CG 3.78Å; R723-Q732 VanDerWaalsContact NH2-OE1 3.08Å; Q732-R734 PolarHBondContact O-N 3.3Å; Q732-V743 HydrophobicContact CB-CG2 4.33Å; Q732-V743 PolarHBondContact N-O 2.92Å; Q732-V743 WeakPolarHBondContact O-CG2 3.33Å; Q732-V743 PolarHBondContact O-N 2.95Å; Q732-A745 HydrophobicContact CB-CB 3.72Å
733	C	98.3	Very high	95.9	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	107	176.2	-174.6	0	0	0	0	109.6	C710 I718 G721 Q722	C710-C733 HydrophobicContact CB-CB 3.73Å; C710-C733 WeakPolarHBondContact CB-SG 3.48Å; C710-C733 PolarHBondContact N-SG 3.45Å; C710-C733 WeakPolarHBondContact SG-CA 3.04Å; C710-C733 WeakPolarHBondContact SG-CB 3.25Å; C710-C733 CovalentContact SG-SG 2.05Å; C710-C733 PolarHBondContact SG-SG 2.94Å; I718-C733 HydrophobicContact CB-CB 4.39Å; I718-C733 HydrophobicContact CG2-CB 3.91Å; G721-C733 PolarHBondContact N-O 3.25Å; Q722-C733 PolarHBondContact O-N 2.56Å
734	R	97	Very high	95.9	Very high	122 Å²	122	52.6 Å²	52.6	46%	0.46	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	133.2	-171.7	-174.2	172.6	-179.6	-165.8	-4.6	111.3	Q732 V740 A741 V743 E782	Q732-R734 PolarHBondContact O-N 3.3Å; R734-V740 WeakPolarHBondContact O-CA 3.38Å; R734-A741 PolarHBondContact N-O 2.95Å; R734-A741 PolarHBondContact O-N 3.21Å; R734-V743 HydrophobicContact CB-CG2 3.83Å; R734-E782 WeakPolarHBondContact CD-OE1 3.28Å; R734-E782 IonicContact CZ-OE1 3.39Å; R734-E782 IonicContact NE-OE1 3.49Å; R734-E782 IonicContact NH1-OE1 3.52Å; R734-E782 PolarHBondContact NH1-OE1 3.12Å; R734-E782 IonicContact NH1-OE2 2.76Å; R734-E782 PolarHBondContact NH1-OE2 2.87Å
735	K	96.2	Very high	95.9	Very high	118 Å²	118	51.8 Å²	51.8	51%	0.513	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.7	166.5	-161.8	166.5	-174	168.1	0	108.4	E706 F720 G739 V740	E706-K735 IonicContact OE1-NZ 2.72Å; E706-K735 PolarHBondContact OE1-NZ 3.16Å; F720-K735 HydrophobicContact CD1-CB 4.45Å; K735-G739 CarbonylContact C-O 3.5Å; K735-G739 WeakPolarHBondContact CA-O 3.27Å; K735-G739 WeakPolarHBondContact CG-O 3.43Å; K735-V740 HydrophobicContact CG-CG2 4.47Å
736	T	94	Very high	96	Very high	50 Å²	50	46.2 Å²	46.2	31%	0.307	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	169.7	-177.1	63.9	0	0	0	0	110.2	T738 G739 A741	T736-T738 PolarHBondContact O-N 3.25Å; T736-T738 VanDerWaalsContact O-N 3.15Å; T736-T738 PolarHBondContact OG1-N 2.85Å; T736-T738 PolarHBondContact OG1-OG1 2.92Å; T736-T738 VanDerWaalsContact OG1-OG1 3.06Å; T736-G739 PolarHBondContact N-O 3.28Å; T736-G739 PolarHBondContact O-N 2.96Å; T736-G739 PolarHBondContact OG1-N 2.98Å; T736-G739 PolarHBondContact OG1-O 3.17Å; T736-A741 HydrophobicContact CG2-CB 4.5Å
737	E	92.1	Very high	96.1	Very high	210 Å²	210	44.9 Å²	44.9	98%	0.981	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.3	171.8	-65.7	-177.6	-168	0	0	112.8
738	T	89.9	Confident	96.3	Very high	129 Å²	129	43 Å²	43	79%	0.791	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.9	0.9	-178.1	53.7	0	0	0	0	114.2	T736	T736-T738 PolarHBondContact O-N 3.25Å; T736-T738 VanDerWaalsContact O-N 3.15Å; T736-T738 PolarHBondContact OG1-N 2.85Å; T736-T738 PolarHBondContact OG1-OG1 2.92Å; T736-T738 VanDerWaalsContact OG1-OG1 3.06Å
739	G	91.3	Very high	96.3	Very high	28 Å²	28	41 Å²	41	29%	0.289	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	134.4	-115.1	-177.7	0	0	0	0	0	113	K735 T736	K735-G739 CarbonylContact C-O 3.5Å; K735-G739 WeakPolarHBondContact CA-O 3.27Å; K735-G739 WeakPolarHBondContact CG-O 3.43Å; T736-G739 PolarHBondContact N-O 3.28Å; T736-G739 PolarHBondContact O-N 2.96Å; T736-G739 PolarHBondContact OG1-N 2.98Å; T736-G739 PolarHBondContact OG1-O 3.17Å
740	V	95.2	Very high	96.2	Very high	17 Å²	17	46.6 Å²	46.6	10%	0.103	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	143.3	-174.3	174.2	0	0	0	0	109.7	Y691 I707 C710 F720 R734 K735	Y691-V740 HydrophobicContact CD1-CB 4.4Å; Y691-V740 HydrophobicContact CD1-CG1 3.89Å; Y691-V740 HydrophobicContact CE1-CB 4.31Å; Y691-V740 HydrophobicContact CE1-CG1 3.86Å; Y691-V740 PolarHBondContact OH-O 3.27Å; I707-V740 HydrophobicContact CB-CB 4.45Å; I707-V740 HydrophobicContact CB-CG2 3.79Å; I707-V740 HydrophobicContact CD1-CB 4.01Å; I707-V740 HydrophobicContact CD1-CG2 4Å; I707-V740 HydrophobicContact CG1-CG2 4.49Å; I707-V740 HydrophobicContact CG2-CB 3.99Å; I707-V740 HydrophobicContact CG2-CG1 4.08Å; I707-V740 HydrophobicContact CG2-CG2 3.68Å; C710-V740 VanDerWaalsContact SG-CG1 3.55Å; F720-V740 HydrophobicContact CE1-CB 4.23Å; F720-V740 HydrophobicContact CE1-CG1 3.71Å; F720-V740 HydrophobicContact CE1-CG2 3.42Å; F720-V740 VanDerWaalsContact CE1-CG2 3.42Å; F720-V740 HydrophobicContact CZ-CG2 3.64Å; R734-V740 WeakPolarHBondContact O-CA 3.38Å; K735-V740 HydrophobicContact CG-CG2 4.47Å
741	A	95.9	Very high	96	Very high	28 Å²	28	48 Å²	48	23%	0.231	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	147.6	172.4	0	0	0	0	0	111.9	R734 T736 V743	R734-A741 PolarHBondContact N-O 2.95Å; R734-A741 PolarHBondContact O-N 3.21Å; T736-A741 HydrophobicContact CG2-CB 4.5Å; A741-V743 HydrophobicContact CB-CG1 4.23Å; A741-V743 PolarHBondContact O-N 3.03Å
742	S	96.4	Very high	95.7	Very high	19 Å²	19	51 Å²	51	13%	0.133	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	98.3	160.7	-72.7	0	0	0	0	109.2	Q51 C710 Y724	Q51-S742 PolarHBondContact NE2-O 2.95Å; C710-S742 WeakPolarHBondContact CB-OG 3.4Å; Y724-S742 WeakPolarHBondContact OH-CB 3.28Å; Y724-S742 PolarHBondContact OH-OG 2.82Å
743	V	96.9	Very high	95.4	Very high	14 Å²	14	50.7 Å²	50.7	9%	0.085	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	151.2	178.8	-67.4	0	0	0	0	111.2	Y731 Q732 R734 A741 E782	Y731-V743 CarbonylContact C-O 3.43Å; Y731-V743 VanDerWaalsContact CA-O 3.27Å; Y731-V743 WeakPolarHBondContact CA-O 3.25Å; Q732-V743 HydrophobicContact CB-CG2 4.33Å; Q732-V743 PolarHBondContact N-O 2.92Å; Q732-V743 WeakPolarHBondContact O-CG2 3.33Å; Q732-V743 PolarHBondContact O-N 2.95Å; R734-V743 HydrophobicContact CB-CG2 3.83Å; A741-V743 HydrophobicContact CB-CG1 4.23Å; A741-V743 PolarHBondContact O-N 3.03Å; V743-E782 HydrophobicContact CB-CB 3.97Å; V743-E782 HydrophobicContact CB-CG 4.17Å; V743-E782 HydrophobicContact CG1-CB 4.13Å; V743-E782 HydrophobicContact CG1-CG 4.49Å
744	L	97.9	Very high	95.2	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	131.7	168	-74.4	158.8	0	0	0	109.7	Q51 F729 Y731 F760 E782 A785	Q51-L744 HydrophobicContact CG-CD1 4.1Å; F729-L744 HydrophobicContact CB-CD2 3.78Å; F729-L744 HydrophobicContact CD1-CD2 4.42Å; F729-L744 HydrophobicContact CG-CD2 4.16Å; Y731-L744 HydrophobicContact CD1-CD2 3.88Å; Y731-L744 HydrophobicContact CD1-CG 4.1Å; Y731-L744 HydrophobicContact CD2-CD2 4.45Å; Y731-L744 HydrophobicContact CE1-CD2 3.36Å; Y731-L744 HydrophobicContact CE1-CG 3.66Å; Y731-L744 HydrophobicContact CE2-CD2 4Å; Y731-L744 HydrophobicContact CG-CD2 4.41Å; Y731-L744 VanDerWaalsContact CZ-CD2 3.44Å; L744-F760 HydrophobicContact CB-CZ 4Å; L744-F760 WeakPolarHBondContact O-CE2 3.21Å; L744-E782 PolarHBondContact N-O 2.84Å; L744-E782 WeakPolarHBondContact O-CA 3.2Å; L744-A785 HydrophobicContact CB-CB 4.41Å; L744-A785 HydrophobicContact CD1-CB 3.89Å; L744-A785 HydrophobicContact CD2-CB 3.96Å; L744-A785 HydrophobicContact CG-CB 4.33Å
745	A	98.1	Very high	95.1	Very high	11 Å²	11	56.4 Å²	56.4	9%	0.091	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	-7.4	-175.1	0	0	0	0	0	113.5	L730 Q732	L730-A745 PolarHBondContact O-N 3.38Å; Q732-A745 HydrophobicContact CB-CB 3.72Å
746	G	98.3	Very high	95.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.1	-164.6	177.8	0	0	0	0	0	113.8	L730 F758	L730-G746 PolarHBondContact N-O 3.45Å; L730-G746 PolarHBondContact O-N 2.96Å; G746-F758 CarbonylContact C-O 3.56Å; G746-F758 WeakPolarHBondContact CA-O 3.45Å
747	C	98.3	Very high	95.4	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	157.6	-179.4	-50.6	0	0	0	0	110	F758 W764 C778 S786 T787	C747-F758 PolarHBondContact N-O 2.04Å; C747-F758 PolarHBondContact O-N 2.99Å; C747-W764 HydrophobicContact CB-CH2 4.4Å; C747-C778 HydrophobicContact CB-CB 3.73Å; C747-C778 WeakPolarHBondContact CB-SG 3.25Å; C747-C778 PolarHBondContact N-SG 2.84Å; C747-C778 VanDerWaalsContact SG-CA 3.5Å; C747-C778 WeakPolarHBondContact SG-CB 3.48Å; C747-C778 CovalentContact SG-SG 2.05Å; C747-C778 PolarHBondContact SG-SG 2.87Å; C747-S786 PolarHBondContact SG-O 2.78Å; C747-S786 VanDerWaalsContact SG-O 3.36Å; C747-T787 HydrophobicContact CB-CG2 3.87Å
748	I	97.8	Very high	95.7	Very high	20 Å²	20	47 Å²	47	10%	0.103	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.1	175	-55.8	166.5	0	0	0	107.6	R725 P728 F729 L730 D755 Q756 E757	R725-I748 HydrophobicContact CB-CD1 3.5Å; R725-I748 VanDerWaalsContact CB-CD1 3.5Å; R725-I748 HydrophobicContact CG-CD1 3.5Å; P728-I748 PolarHBondContact O-N 2.72Å; F729-I748 WeakPolarHBondContact O-CD1 3.25Å; L730-I748 HydrophobicContact CB-CD1 4.47Å; L730-I748 HydrophobicContact CB-CG1 4.14Å; I748-D755 HydrophobicContact CG2-CB 4.19Å; I748-Q756 WeakPolarHBondContact CA-O 3.3Å; I748-E757 HydrophobicContact CG1-CG 4.28Å
749	A	96.9	Very high	96.1	Very high	16 Å²	16	46 Å²	46	13%	0.132	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	147.7	178.2	0	0	0	0	0	112.5	V751 Q756 F758 W764	A749-V751 PolarHBondContact O-N 2.62Å; A749-Q756 PolarHBondContact N-O 2.88Å; A749-Q756 PolarHBondContact O-N 3.37Å; A749-F758 HydrophobicContact CB-CD2 4.25Å; A749-F758 HydrophobicContact CB-CE2 4.03Å; A749-W764 HydrophobicContact CB-CD2 4.27Å; A749-W764 HydrophobicContact CB-CH2 4.27Å; A749-W764 HydrophobicContact CB-CZ2 3.36Å; A749-W764 VanDerWaalsContact CB-NE1 3.35Å
750	K	95.2	Very high	96.4	Very high	122 Å²	122	47.6 Å²	47.6	53%	0.53	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	115.5	177.5	-174.2	149.6	-65.5	-138.3	0	110.7	G753 F754 D755	K750-G753 VanDerWaalsContact CD-O 3.27Å; K750-G753 WeakPolarHBondContact CD-O 3.4Å; K750-G753 WeakPolarHBondContact CE-O 3.37Å; K750-G753 PolarHBondContact NZ-O 3.11Å; K750-F754 CarbonylContact C-O 3.59Å; K750-F754 WeakPolarHBondContact CA-O 3.43Å; K750-D755 WeakPolarHBondContact CE-OD1 3.26Å; K750-D755 IonicContact NZ-OD1 3.53Å; K750-D755 IonicContact NZ-OD2 3.9Å
751	V	94.7	Very high	96.5	Very high	30 Å²	30	49 Å²	49	18%	0.182	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.4	174.6	-179	0	0	0	0	108.4	A749 G753 F754 F758 W764	A749-V751 PolarHBondContact O-N 2.62Å; V751-G753 PolarHBondContact O-N 2.99Å; V751-F754 PolarHBondContact N-O 3.29Å; V751-F754 PolarHBondContact O-N 2.91Å; V751-F758 HydrophobicContact CG2-CE2 4.11Å; V751-F758 HydrophobicContact CG2-CZ 3.81Å; V751-W764 HydrophobicContact CG2-CB 4.14Å; V751-W764 HydrophobicContact CG2-CG 4.05Å
752	S	91.6	Very high	96.6	Very high	84 Å²	84	50.9 Å²	50.9	59%	0.587	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	32.6	-177.1	-53	0	0	0	0	114.5	F754	S752-F754 VanDerWaalsContact O-CD2 3.3Å; S752-F754 WeakPolarHBondContact O-CD2 3.27Å; S752-F754 WeakPolarHBondContact O-CE2 3.33Å
753	G	91.6	Very high	96.7	Very high	45 Å²	45	52.5 Å²	52.5	46%	0.464	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.8	-18.4	-178.6	0	0	0	0	0	115.8	K750 V751	K750-G753 VanDerWaalsContact CD-O 3.27Å; K750-G753 WeakPolarHBondContact CD-O 3.4Å; K750-G753 WeakPolarHBondContact CE-O 3.37Å; K750-G753 PolarHBondContact NZ-O 3.11Å; V751-G753 PolarHBondContact O-N 2.99Å
754	F	94.2	Very high	96.7	Very high	163 Å²	163	52.8 Å²	52.8	72%	0.715	29%	0.288	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.7	-173.8	-56.9	-86.2	0	0	0	112.6	K750 V751 S752 Q756	K750-F754 CarbonylContact C-O 3.59Å; K750-F754 WeakPolarHBondContact CA-O 3.43Å; V751-F754 PolarHBondContact N-O 3.29Å; V751-F754 PolarHBondContact O-N 2.91Å; S752-F754 VanDerWaalsContact O-CD2 3.3Å; S752-F754 WeakPolarHBondContact O-CD2 3.27Å; S752-F754 WeakPolarHBondContact O-CE2 3.33Å; F754-Q756 PolarHBondContact O-N 2.96Å
755	D	95.8	Very high	96.6	Very high	80 Å²	80	55.8 Å²	55.8	43%	0.428	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	101.6	-177.1	-63.8	-40.6	0	0	0	111.7	R725 I748 K750	R725-D755 PolarHBondContact NH1-O 3.01Å; R725-D755 PolarHBondContact NH2-O 2.94Å; I748-D755 HydrophobicContact CG2-CB 4.19Å; K750-D755 WeakPolarHBondContact CE-OD1 3.26Å; K750-D755 IonicContact NZ-OD1 3.53Å; K750-D755 IonicContact NZ-OD2 3.9Å
756	Q	97.5	Very high	96.5	Very high	98 Å²	98	57.1 Å²	57.1	46%	0.458	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	147.1	-177.4	-172.7	172	8.7	0	0	111.6	I748 A749 F754 F758	I748-Q756 WeakPolarHBondContact CA-O 3.3Å; A749-Q756 PolarHBondContact N-O 2.88Å; A749-Q756 PolarHBondContact O-N 3.37Å; F754-Q756 PolarHBondContact O-N 2.96Å; Q756-F758 HydrophobicContact CB-CE2 3.76Å; Q756-F758 HydrophobicContact CB-CZ 3.71Å; Q756-F758 VanDerWaalsContact CD-CZ 3.42Å; Q756-F758 HydrophobicContact CG-CE1 3.99Å; Q756-F758 HydrophobicContact CG-CE2 3.91Å; Q756-F758 HydrophobicContact CG-CZ 3.48Å; Q756-F758 VanDerWaalsContact CG-CZ 3.48Å; Q756-F758 WeakPolarHBondContact O-CE2 3.38Å
757	E	98.1	Very high	96	Very high	69 Å²	69	61.1 Å²	61.1	32%	0.322	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	137.4	178.5	-78.2	166.6	-139.9	0	0	111.6	R725 L730 I748	R725-E757 IonicContact CZ-OE1 2.62Å; R725-E757 IonicContact NE-OE1 2.56Å; R725-E757 PolarHBondContact NE-OE1 2.95Å; R725-E757 IonicContact NH2-OE1 2.65Å; R725-E757 PolarHBondContact NH2-OE1 2.9Å; L730-E757 VanDerWaalsContact CD1-CD 3.48Å; L730-E757 HydrophobicContact CD1-CG 3.88Å; L730-E757 WeakPolarHBondContact CD1-OE2 3.41Å; L730-E757 HydrophobicContact CD2-CB 3.98Å; L730-E757 HydrophobicContact CD2-CG 3.86Å; L730-E757 WeakPolarHBondContact CD2-OE2 3.5Å; L730-E757 HydrophobicContact CG-CG 4.38Å; I748-E757 HydrophobicContact CG1-CG 4.28Å
758	F	98.3	Very high	95.5	Very high	14 Å²	14	64.6 Å²	64.6	6%	0.061	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	123.4	-178.4	-61.3	-74.7	0	0	0	110.8	G746 C747 A749 V751 Q756 E762 W764 C778	G746-F758 CarbonylContact C-O 3.56Å; G746-F758 WeakPolarHBondContact CA-O 3.45Å; C747-F758 PolarHBondContact N-O 2.04Å; C747-F758 PolarHBondContact O-N 2.99Å; A749-F758 HydrophobicContact CB-CD2 4.25Å; A749-F758 HydrophobicContact CB-CE2 4.03Å; V751-F758 HydrophobicContact CG2-CE2 4.11Å; V751-F758 HydrophobicContact CG2-CZ 3.81Å; Q756-F758 HydrophobicContact CB-CE2 3.76Å; Q756-F758 HydrophobicContact CB-CZ 3.71Å; Q756-F758 VanDerWaalsContact CD-CZ 3.42Å; Q756-F758 HydrophobicContact CG-CE1 3.99Å; Q756-F758 HydrophobicContact CG-CE2 3.91Å; Q756-F758 HydrophobicContact CG-CZ 3.48Å; Q756-F758 VanDerWaalsContact CG-CZ 3.48Å; Q756-F758 WeakPolarHBondContact O-CE2 3.38Å; F758-E762 WeakPolarHBondContact CA-OE2 3.04Å; F758-E762 HydrophobicContact CB-CB 4.33Å; F758-E762 HydrophobicContact CD1-CB 4.44Å; F758-W764 HydrophobicContact CB-CE3 3.99Å; F758-W764 HydrophobicContact CB-CZ3 3.85Å; F758-W764 HydrophobicContact CD1-CB 4.4Å; F758-W764 HydrophobicContact CD1-CD2 4.38Å; F758-W764 AromaticContact CD1-CE3 3.77Å; F758-W764 HydrophobicContact CD1-CE3 3.77Å; F758-W764 HydrophobicContact CD1-CZ3 4.49Å; F758-W764 AromaticContact CD2-CD2 3.79Å; F758-W764 HydrophobicContact CD2-CD2 3.79Å; F758-W764 AromaticContact CD2-CE3 3.5Å; F758-W764 HydrophobicContact CD2-CE3 3.5Å; F758-W764 HydrophobicContact CD2-CG 4.39Å; F758-W764 HydrophobicContact CD2-CH2 4.38Å; F758-W764 AromaticContact CD2-CZ3 3.83Å; F758-W764 HydrophobicContact CD2-CZ3 3.83Å; F758-W764 HydrophobicContact CE1-CB 3.67Å; F758-W764 HydrophobicContact CE1-CD2 4.33Å; F758-W764 HydrophobicContact CE1-CE3 4.15Å; F758-W764 HydrophobicContact CE1-CG 4.17Å; F758-W764 HydrophobicContact CE2-CB 4.19Å; F758-W764 AromaticContact CE2-CD2 3.72Å; F758-W764 HydrophobicContact CE2-CD2 3.72Å; F758-W764 AromaticContact CE2-CE3 3.9Å; F758-W764 HydrophobicContact CE2-CE3 3.9Å; F758-W764 AromaticContact CE2-CG 3.85Å; F758-W764 HydrophobicContact CE2-CG 3.85Å; F758-W764 HydrophobicContact CG-CD2 4.13Å; F758-W764 AromaticContact CG-CE3 3.43Å; F758-W764 HydrophobicContact CG-CE3 3.43Å; F758-W764 VanDerWaalsContact CG-CE3 3.43Å; F758-W764 AromaticContact CG-CZ3 3.78Å; F758-W764 HydrophobicContact CG-CZ3 3.78Å; F758-W764 HydrophobicContact CZ-CB 3.55Å; F758-W764 AromaticContact CZ-CD2 4Å; F758-W764 HydrophobicContact CZ-CD2 4Å; F758-W764 HydrophobicContact CZ-CE3 4.21Å; F758-W764 AromaticContact CZ-CG 3.73Å; F758-W764 HydrophobicContact CZ-CG 3.73Å; F758-C778 HydrophobicContact CB-CB 4.27Å
759	K	98.1	Very high	95.1	Very high	106 Å²	106	68.2 Å²	68.2	46%	0.461	38%	0.381	S	S	.	.			trans	-71.3	161.6	173.9	-49.9	-175.5	-154.1	95.7	0	110.5	G761 E762	K759-G761 PolarHBondContact O-N 2.89Å; K759-E762 HydrophobicContact CB-CG 4.13Å; K759-E762 WeakPolarHBondContact CD-OE1 3.43Å; K759-E762 WeakPolarHBondContact CG-OE1 3.32Å; K759-E762 PolarHBondContact N-OE2 3.21Å; K759-E762 IonicContact NZ-OE1 3.31Å; K759-E762 PolarHBondContact NZ-OE1 2.96Å; K759-E762 WeakPolarHBondContact O-CB 3.21Å; K759-E762 PolarHBondContact O-N 2.96Å
760	F	97.9	Very high	94.9	Very high	62 Å²	62	69.2 Å²	69.2	27%	0.272	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	131.6	172.4	-56.1	-57.8	0	0	0	111.6	L744 E762 N781 A785	L744-F760 HydrophobicContact CB-CZ 4Å; L744-F760 WeakPolarHBondContact O-CE2 3.21Å; F760-E762 VanDerWaalsContact C-N 3.34Å; F760-N781 WeakPolarHBondContact CE2-O 3.33Å; F760-N781 WeakPolarHBondContact CZ-O 3.22Å; F760-A785 HydrophobicContact CE1-CB 3.88Å; F760-A785 HydrophobicContact CZ-CB 4.37Å
761	G	97.9	Very high	94.8	Very high	46 Å²	46	66.1 Å²	66.1	47%	0.474	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	-24.7	-174.7	0	0	0	0	0	114.6	K759 K777 C778	K759-G761 PolarHBondContact O-N 2.89Å; G761-K777 WeakPolarHBondContact O-CE 3.32Å; G761-C778 PolarHBondContact N-O 3.48Å
762	E	98.4	Very high	94.8	Very high	68 Å²	68	65 Å²	65	32%	0.318	37%	0.373	S	S	.	.			trans	-71.2	152.1	178.5	-63.7	175.9	176.9	0	0	111.4	F758 K759 F760 K777 C778	F758-E762 WeakPolarHBondContact CA-OE2 3.04Å; F758-E762 HydrophobicContact CB-CB 4.33Å; F758-E762 HydrophobicContact CD1-CB 4.44Å; K759-E762 HydrophobicContact CB-CG 4.13Å; K759-E762 WeakPolarHBondContact CD-OE1 3.43Å; K759-E762 WeakPolarHBondContact CG-OE1 3.32Å; K759-E762 PolarHBondContact N-OE2 3.21Å; K759-E762 IonicContact NZ-OE1 3.31Å; K759-E762 PolarHBondContact NZ-OE1 2.96Å; K759-E762 WeakPolarHBondContact O-CB 3.21Å; K759-E762 PolarHBondContact O-N 2.96Å; F760-E762 VanDerWaalsContact C-N 3.34Å; E762-K777 WeakPolarHBondContact O-CA 3.13Å; E762-C778 PolarHBondContact O-N 2.79Å
763	S	97.7	Very high	95	Very high	54 Å²	54	61 Å²	61	38%	0.378	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.1	-172.3	69.2	0	0	0	0	111.9	K775 M776	S763-K775 WeakPolarHBondContact OG-CE 3.4Å; S763-M776 CarbonylContact C-O 3.46Å; S763-M776 WeakPolarHBondContact CA-O 3.4Å; S763-M776 WeakPolarHBondContact CB-O 3.44Å
764	W	97.5	Very high	95.3	Very high	20 Å²	20	59.1 Å²	59.1	8%	0.076	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	163.1	178.5	64.8	101.6	0	0	0	110.9	C747 A749 V751 F758 K775 M776 C778 T787	C747-W764 HydrophobicContact CB-CH2 4.4Å; A749-W764 HydrophobicContact CB-CD2 4.27Å; A749-W764 HydrophobicContact CB-CH2 4.27Å; A749-W764 HydrophobicContact CB-CZ2 3.36Å; A749-W764 VanDerWaalsContact CB-NE1 3.35Å; V751-W764 HydrophobicContact CG2-CB 4.14Å; V751-W764 HydrophobicContact CG2-CG 4.05Å; F758-W764 HydrophobicContact CB-CE3 3.99Å; F758-W764 HydrophobicContact CB-CZ3 3.85Å; F758-W764 HydrophobicContact CD1-CB 4.4Å; F758-W764 HydrophobicContact CD1-CD2 4.38Å; F758-W764 AromaticContact CD1-CE3 3.77Å; F758-W764 HydrophobicContact CD1-CE3 3.77Å; F758-W764 HydrophobicContact CD1-CZ3 4.49Å; F758-W764 AromaticContact CD2-CD2 3.79Å; F758-W764 HydrophobicContact CD2-CD2 3.79Å; F758-W764 AromaticContact CD2-CE3 3.5Å; F758-W764 HydrophobicContact CD2-CE3 3.5Å; F758-W764 HydrophobicContact CD2-CG 4.39Å; F758-W764 HydrophobicContact CD2-CH2 4.38Å; F758-W764 AromaticContact CD2-CZ3 3.83Å; F758-W764 HydrophobicContact CD2-CZ3 3.83Å; F758-W764 HydrophobicContact CE1-CB 3.67Å; F758-W764 HydrophobicContact CE1-CD2 4.33Å; F758-W764 HydrophobicContact CE1-CE3 4.15Å; F758-W764 HydrophobicContact CE1-CG 4.17Å; F758-W764 HydrophobicContact CE2-CB 4.19Å; F758-W764 AromaticContact CE2-CD2 3.72Å; F758-W764 HydrophobicContact CE2-CD2 3.72Å; F758-W764 AromaticContact CE2-CE3 3.9Å; F758-W764 HydrophobicContact CE2-CE3 3.9Å; F758-W764 AromaticContact CE2-CG 3.85Å; F758-W764 HydrophobicContact CE2-CG 3.85Å; F758-W764 HydrophobicContact CG-CD2 4.13Å; F758-W764 AromaticContact CG-CE3 3.43Å; F758-W764 HydrophobicContact CG-CE3 3.43Å; F758-W764 VanDerWaalsContact CG-CE3 3.43Å; F758-W764 AromaticContact CG-CZ3 3.78Å; F758-W764 HydrophobicContact CG-CZ3 3.78Å; F758-W764 HydrophobicContact CZ-CB 3.55Å; F758-W764 AromaticContact CZ-CD2 4Å; F758-W764 HydrophobicContact CZ-CD2 4Å; F758-W764 HydrophobicContact CZ-CE3 4.21Å; F758-W764 AromaticContact CZ-CG 3.73Å; F758-W764 HydrophobicContact CZ-CG 3.73Å; W764-K775 CarbonylContact O-C 3.45Å; W764-K775 WeakPolarHBondContact O-CA 3.35Å; W764-M776 HydrophobicContact CD2-CB 3.71Å; W764-M776 HydrophobicContact CE3-CB 4.19Å; W764-M776 HydrophobicContact CG-CB 4.24Å; W764-M776 HydrophobicContact CH2-CB 3.9Å; W764-M776 HydrophobicContact CZ2-CB 3.38Å; W764-M776 HydrophobicContact CZ2-CG 3.96Å; W764-M776 HydrophobicContact CZ3-CB 4.27Å; W764-M776 PolarHBondContact N-O 2.9Å; W764-M776 PolarHBondContact O-N 2.89Å; W764-C778 HydrophobicContact CZ3-CB 4.03Å; W764-T787 HydrophobicContact CH2-CG2 3.81Å; W764-T787 HydrophobicContact CZ2-CG2 4.26Å
765	N	95.6	Very high	95.5	Very high	63 Å²	63	54.5 Å²	54.5	34%	0.337	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	142.3	167.5	-56.6	-49.7	0	0	0	108.8	T768 Y774	N765-T768 HydrophobicContact CB-CG2 4.28Å; N765-Y774 CarbonylContact C-O 3.51Å; N765-Y774 VanDerWaalsContact CA-O 3.3Å; N765-Y774 WeakPolarHBondContact CA-O 3.23Å
766	T	94.7	Very high	95.5	Very high	39 Å²	39	51.7 Å²	51.7	24%	0.239	29%	0.288	C	S	.	.			trans	-62	171.1	159.9	66	0	0	0	0	109.9	T768 S773 Y774 M776	T766-T768 PolarHBondContact O-N 3.16Å; T766-T768 VanDerWaalsContact O-N 3.12Å; T766-S773 WeakPolarHBondContact OG1-CA 3.02Å; T766-S773 WeakPolarHBondContact OG1-CB 3.49Å; T766-Y774 HydrophobicContact CG2-CD2 4.44Å; T766-Y774 PolarHBondContact N-O 2.65Å; T766-Y774 PolarHBondContact OG1-N 3.16Å; T766-M776 HydrophobicContact CG2-CG 3.8Å; T766-M776 HydrophobicContact CG2-SD 4.19Å
767	D	87.8	Confident	95.6	Very high	85 Å²	85	50.8 Å²	50.8	46%	0.455	28%	0.282	S	S	.	.			trans	-43.4	120.6	179.5	-176.3	8.1	0	0	0	112.6	S769 S773	D767-S769 VanDerWaalsContact C-N 3.3Å; D767-S769 VanDerWaalsContact OD1-CB 3.32Å; D767-S769 WeakPolarHBondContact OD1-CB 3.43Å; D767-S769 PolarHBondContact OD1-N 2.99Å; D767-S769 PolarHBondContact OD1-OG 3.11Å; D767-S769 PolarHBondContact OD2-OG 3.09Å; D767-S773 WeakPolarHBondContact O-CB 3.29Å
768	T	87.8	Confident	95.6	Very high	72 Å²	72	47.5 Å²	47.5	44%	0.442	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-5.9	-177.2	49.5	0	0	0	0	113.3	N765 T766 S770 N795	N765-T768 HydrophobicContact CB-CG2 4.28Å; T766-T768 PolarHBondContact O-N 3.16Å; T766-T768 VanDerWaalsContact O-N 3.12Å; T768-S770 PolarHBondContact O-N 3.24Å; T768-N795 PolarHBondContact O-ND2 2.95Å
769	S	90.6	Very high	95.5	Very high	96 Å²	96	48.3 Å²	48.3	67%	0.671	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.1	173.1	75.9	0	0	0	0	112.8	D767	D767-S769 VanDerWaalsContact C-N 3.3Å; D767-S769 VanDerWaalsContact OD1-CB 3.32Å; D767-S769 WeakPolarHBondContact OD1-CB 3.43Å; D767-S769 PolarHBondContact OD1-N 2.99Å; D767-S769 PolarHBondContact OD1-OG 3.11Å; D767-S769 PolarHBondContact OD2-OG 3.09Å
770	S	91.5	Very high	95.5	Very high	38 Å²	38	45.1 Å²	45.1	27%	0.266	27%	0.27	S	S	.	.	S	Bend	trans	-77	139	178.1	177	0	0	0	0	111.8	T768 L772 N795	T768-S770 PolarHBondContact O-N 3.24Å; S770-L772 VanDerWaalsContact CB-O 3.26Å; S770-L772 WeakPolarHBondContact CB-O 3.21Å; S770-L772 PolarHBondContact O-N 2.79Å; S770-L772 VanDerWaalsContact O-N 3.1Å; S770-L772 PolarHBondContact OG-N 3.4Å; S770-L772 VanDerWaalsContact OG-N 3.16Å; S770-L772 PolarHBondContact OG-O 2.85Å; S770-N795 PolarHBondContact O-ND2 3.48Å
771	P	94.1	Very high	95.5	Very high	57 Å²	57	45.8 Å²	45.8	37%	0.37	28%	0.277	S	S	.	.	S	Bend	trans	-56.9	-22.5	169	-25.2	34.6	0	0	0	113.9	I39 A794 N795 L796	I39-P771 HydrophobicContact CD1-CB 4.34Å; P771-A794 WeakPolarHBondContact O-CA 3.31Å; P771-N795 WeakPolarHBondContact CA-O 3.02Å; P771-N795 PolarHBondContact O-N 2.82Å; P771-L796 HydrophobicContact CB-CD2 4.36Å
772	L	95.2	Very high	95.4	Very high	7 Å²	7	47.7 Å²	47.7	4%	0.037	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	116.7	171.1	-71.3	178.7	0	0	0	110.3	I39 V41 S770 A794 F818 G830 V832	I39-L772 HydrophobicContact CB-CD1 4.36Å; I39-L772 HydrophobicContact CG2-CD1 3.9Å; I39-L772 HydrophobicContact CG2-CG 4.42Å; V41-L772 HydrophobicContact CB-CB 4.3Å; V41-L772 HydrophobicContact CB-CD1 4.39Å; V41-L772 HydrophobicContact CG2-CB 3.9Å; V41-L772 HydrophobicContact CG2-CD1 4.13Å; S770-L772 VanDerWaalsContact CB-O 3.26Å; S770-L772 WeakPolarHBondContact CB-O 3.21Å; S770-L772 PolarHBondContact O-N 2.79Å; S770-L772 VanDerWaalsContact O-N 3.1Å; S770-L772 PolarHBondContact OG-N 3.4Å; S770-L772 VanDerWaalsContact OG-N 3.16Å; S770-L772 PolarHBondContact OG-O 2.85Å; L772-A794 HydrophobicContact CD2-CB 4.17Å; L772-F818 HydrophobicContact CD2-CD2 4.28Å; L772-F818 HydrophobicContact CD2-CE2 3.54Å; L772-F818 HydrophobicContact CD2-CZ 4.14Å; L772-G830 WeakPolarHBondContact CD1-O 3.39Å; L772-V832 HydrophobicContact CD2-CG2 4.22Å
773	S	95.7	Very high	95.3	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	171.9	175.4	53.1	0	0	0	0	110	T766 D767 V793 N795	T766-S773 WeakPolarHBondContact OG1-CA 3.02Å; T766-S773 WeakPolarHBondContact OG1-CB 3.49Å; D767-S773 WeakPolarHBondContact O-CB 3.29Å; S773-V793 PolarHBondContact N-O 3Å; S773-V793 WeakPolarHBondContact O-CA 3.25Å; S773-V793 PolarHBondContact O-N 2.67Å; S773-V793 WeakPolarHBondContact OG-CB 3.36Å; S773-V793 PolarHBondContact OG-O 3.32Å; S773-N795 PolarHBondContact OG-ND2 3.28Å
774	Y	96.9	Very high	95.3	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.016	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.6	-175.1	-60.3	-85.5	0	0	0	111.2	V41 T43 N765 T766 M776 I789 H791 C792 V828 G830	V41-Y774 VanDerWaalsContact C-OH 3.29Å; V41-Y774 HydrophobicContact CB-CE2 4.46Å; V41-Y774 HydrophobicContact CG1-CE2 3.84Å; V41-Y774 PolarHBondContact O-OH 3.32Å; T43-Y774 HydrophobicContact CG2-CD2 3.91Å; T43-Y774 HydrophobicContact CG2-CE2 3.55Å; T43-Y774 WeakPolarHBondContact OG1-CE2 3.39Å; T43-Y774 VanDerWaalsContact OG1-CZ 3.29Å; N765-Y774 CarbonylContact C-O 3.51Å; N765-Y774 VanDerWaalsContact CA-O 3.3Å; N765-Y774 WeakPolarHBondContact CA-O 3.23Å; T766-Y774 HydrophobicContact CG2-CD2 4.44Å; T766-Y774 PolarHBondContact N-O 2.65Å; T766-Y774 PolarHBondContact OG1-N 3.16Å; Y774-M776 PolarHBondContact O-N 2.91Å; Y774-I789 HydrophobicContact CD1-CG2 3.66Å; Y774-I789 HydrophobicContact CG-CG2 4.28Å; Y774-H791 WeakPolarHBondContact CA-O 3.37Å; Y774-C792 HydrophobicContact CD1-CB 4.4Å; Y774-C792 HydrophobicContact CE1-CB 4.47Å; Y774-V828 HydrophobicContact CE1-CG1 4.37Å; Y774-G830 PolarHBondContact OH-N 2.81Å
775	K	97.6	Very high	95.3	Very high	66 Å²	66	45.2 Å²	45.2	29%	0.287	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	99	168.6	-167.5	176.2	175.7	-177.4	0	109.5	S763 W764 T790 H791 V793	S763-K775 WeakPolarHBondContact OG-CE 3.4Å; W764-K775 CarbonylContact O-C 3.45Å; W764-K775 WeakPolarHBondContact O-CA 3.35Å; K775-T790 PolarHBondContact O-N 2.81Å; K775-T790 PolarHBondContact O-OG1 3.28Å; K775-H791 HydrophobicContact CB-CB 3.85Å; K775-H791 PolarHBondContact N-O 2.87Å; K775-H791 PolarHBondContact O-N 3.02Å; K775-V793 HydrophobicContact CB-CG2 4.5Å
776	M	97.3	Very high	95.3	Very high	21 Å²	21	44.2 Å²	44.2	10%	0.103	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	154.3	174	-57.1	-59.2	-62	0	0	110.7	S763 W764 T766 Y774 E788 I789	S763-M776 CarbonylContact C-O 3.46Å; S763-M776 WeakPolarHBondContact CA-O 3.4Å; S763-M776 WeakPolarHBondContact CB-O 3.44Å; W764-M776 HydrophobicContact CD2-CB 3.71Å; W764-M776 HydrophobicContact CE3-CB 4.19Å; W764-M776 HydrophobicContact CG-CB 4.24Å; W764-M776 HydrophobicContact CH2-CB 3.9Å; W764-M776 HydrophobicContact CZ2-CB 3.38Å; W764-M776 HydrophobicContact CZ2-CG 3.96Å; W764-M776 HydrophobicContact CZ3-CB 4.27Å; W764-M776 PolarHBondContact N-O 2.9Å; W764-M776 PolarHBondContact O-N 2.89Å; T766-M776 HydrophobicContact CG2-CG 3.8Å; T766-M776 HydrophobicContact CG2-SD 4.19Å; Y774-M776 PolarHBondContact O-N 2.91Å; M776-E788 CarbonylContact C-O 3.53Å; M776-E788 WeakPolarHBondContact CA-O 3.42Å; M776-I789 HydrophobicContact CE-CG1 3.93Å; M776-I789 HydrophobicContact SD-CB 4.42Å; M776-I789 HydrophobicContact SD-CD1 4.5Å; M776-I789 HydrophobicContact SD-CG1 3.44Å; M776-I789 WeakPolarHBondContact SD-CG1 3.26Å
777	K	98	Very high	95.4	Very high	79 Å²	79	43.9 Å²	43.9	34%	0.343	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	141	171.2	-173.9	-177.7	176.9	-173.8	0	109.9	G761 E762 T779 T787 E788 T790	G761-K777 WeakPolarHBondContact O-CE 3.32Å; E762-K777 WeakPolarHBondContact O-CA 3.13Å; K777-T779 HydrophobicContact CD-CG2 4.13Å; K777-T779 HydrophobicContact CG-CG2 4.22Å; K777-T787 WeakPolarHBondContact O-CA 3.02Å; K777-E788 PolarHBondContact N-O 3.22Å; K777-E788 PolarHBondContact O-N 2.04Å; K777-T790 HydrophobicContact CB-CG2 3.53Å; K777-T790 HydrophobicContact CD-CG2 3.99Å; K777-T790 HydrophobicContact CG-CG2 4.42Å
778	C	98.5	Very high	95.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	120.5	169.6	-173.7	0	0	0	0	109.2	C747 F758 G761 E762 W764	C747-C778 HydrophobicContact CB-CB 3.73Å; C747-C778 WeakPolarHBondContact CB-SG 3.25Å; C747-C778 PolarHBondContact N-SG 2.84Å; C747-C778 VanDerWaalsContact SG-CA 3.5Å; C747-C778 WeakPolarHBondContact SG-CB 3.48Å; C747-C778 CovalentContact SG-SG 2.05Å; C747-C778 PolarHBondContact SG-SG 2.87Å; F758-C778 HydrophobicContact CB-CB 4.27Å; G761-C778 PolarHBondContact N-O 3.48Å; E762-C778 PolarHBondContact O-N 2.79Å; W764-C778 HydrophobicContact CZ3-CB 4.03Å
779	T	97.8	Very high	96.3	Very high	31 Å²	31	40 Å²	40	19%	0.19	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.2	-175	38.9	0	0	0	0	109.7	K777 S786 E788	K777-T779 HydrophobicContact CD-CG2 4.13Å; K777-T779 HydrophobicContact CG-CG2 4.22Å; T779-S786 PolarHBondContact N-O 2.67Å; T779-S786 PolarHBondContact O-N 2.81Å; T779-S786 VanDerWaalsContact O-O 3.12Å; T779-S786 PolarHBondContact O-OG 2.98Å; T779-S786 PolarHBondContact OG1-O 3.5Å; T779-S786 PolarHBondContact OG1-OG 2.93Å; T779-E788 HydrophobicContact CG2-CB 4.43Å
780	G	96.8	Very high	96.6	Very high	39 Å²	39	36.7 Å²	36.7	40%	0.402	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	158	-166.4	-175.2	0	0	0	0	0	114.4	T784	G780-T784 CarbonylContact C-O 3.47Å; G780-T784 WeakPolarHBondContact CA-O 3.08Å
781	N	97.3	Very high	97	Very high	77 Å²	77	37.1 Å²	37.1	41%	0.412	21%	0.208	S	C	.	.			trans	-153	-170.1	179.7	59.3	34	0	0	0	108.9	F760 S783 T784	F760-N781 WeakPolarHBondContact CE2-O 3.33Å; F760-N781 WeakPolarHBondContact CZ-O 3.22Å; N781-S783 PolarHBondContact O-N 2.81Å; N781-S783 VanDerWaalsContact O-N 3.13Å; N781-S783 PolarHBondContact OD1-N 2.96Å; N781-S783 PolarHBondContact OD1-OG 3.3Å; N781-S783 VanDerWaalsContact OD1-OG 3.14Å; N781-T784 PolarHBondContact N-O 2.63Å; N781-T784 PolarHBondContact ND2-OG1 3.17Å; N781-T784 VanDerWaalsContact O-O 3.06Å; N781-T784 PolarHBondContact OD1-N 3.34Å; N781-T784 PolarHBondContact OD1-O 3.49Å; N781-T784 PolarHBondContact OD1-OG1 3.46Å
782	E	96.7	Very high	97.1	Very high	86 Å²	86	34.4 Å²	34.4	40%	0.402	19%	0.191	S	C	.	.	S	Bend	trans	-64.1	-16.6	-176.1	-67.9	-168.8	119.7	0	0	115.7	Q51 R734 V743 L744	Q51-E782 PolarHBondContact OE1-O 2.95Å; R734-E782 WeakPolarHBondContact CD-OE1 3.28Å; R734-E782 IonicContact CZ-OE1 3.39Å; R734-E782 IonicContact NE-OE1 3.49Å; R734-E782 IonicContact NH1-OE1 3.52Å; R734-E782 PolarHBondContact NH1-OE1 3.12Å; R734-E782 IonicContact NH1-OE2 2.76Å; R734-E782 PolarHBondContact NH1-OE2 2.87Å; V743-E782 HydrophobicContact CB-CB 3.97Å; V743-E782 HydrophobicContact CB-CG 4.17Å; V743-E782 HydrophobicContact CG1-CB 4.13Å; V743-E782 HydrophobicContact CG1-CG 4.49Å; L744-E782 PolarHBondContact N-O 2.84Å; L744-E782 WeakPolarHBondContact O-CA 3.2Å
783	S	96.5	Very high	97.2	Very high	46 Å²	46	34.2 Å²	34.2	32%	0.322	19%	0.19	S	C	.	.	S	Bend	trans	-116	-14	-177.4	63.3	0	0	0	0	115.3	Q51 N781	Q51-S783 PolarHBondContact N-O 3.21Å; N781-S783 PolarHBondContact O-N 2.81Å; N781-S783 VanDerWaalsContact O-N 3.13Å; N781-S783 PolarHBondContact OD1-N 2.96Å; N781-S783 PolarHBondContact OD1-OG 3.3Å; N781-S783 VanDerWaalsContact OD1-OG 3.14Å
784	T	97.3	Very high	97.3	Very high	44 Å²	44	34.2 Å²	34.2	27%	0.27	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	131.7	-179.8	50.3	0	0	0	0	110.7	R50 G780 N781	R50-T784 HydrophobicContact CG-CG2 4.23Å; G780-T784 CarbonylContact C-O 3.47Å; G780-T784 WeakPolarHBondContact CA-O 3.08Å; N781-T784 PolarHBondContact N-O 2.63Å; N781-T784 PolarHBondContact ND2-OG1 3.17Å; N781-T784 VanDerWaalsContact O-O 3.06Å; N781-T784 PolarHBondContact OD1-N 3.34Å; N781-T784 PolarHBondContact OD1-O 3.49Å; N781-T784 PolarHBondContact OD1-OG1 3.46Å
785	A	97.4	Very high	97.1	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	145.5	177	0	0	0	0	0	111	F729 L744 F760	F729-A785 HydrophobicContact CD1-CB 3.48Å; F729-A785 VanDerWaalsContact CD1-CB 3.48Å; F729-A785 HydrophobicContact CE1-CB 3.54Å; F729-A785 WeakPolarHBondContact CE1-O 3.46Å; F729-A785 HydrophobicContact CG-CB 4.45Å; F729-A785 WeakPolarHBondContact CZ-O 3.42Å; L744-A785 HydrophobicContact CB-CB 4.41Å; L744-A785 HydrophobicContact CD1-CB 3.89Å; L744-A785 HydrophobicContact CD2-CB 3.96Å; L744-A785 HydrophobicContact CG-CB 4.33Å; F760-A785 HydrophobicContact CE1-CB 3.88Å; F760-A785 HydrophobicContact CZ-CB 4.37Å
786	S	96.9	Very high	96.9	Very high	42 Å²	42	33.6 Å²	33.6	29%	0.294	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	162.4	-177.5	59.2	0	0	0	0	110.5	C747 T779	C747-S786 PolarHBondContact SG-O 2.78Å; C747-S786 VanDerWaalsContact SG-O 3.36Å; T779-S786 PolarHBondContact N-O 2.67Å; T779-S786 PolarHBondContact O-N 2.81Å; T779-S786 VanDerWaalsContact O-O 3.12Å; T779-S786 PolarHBondContact O-OG 2.98Å; T779-S786 PolarHBondContact OG1-O 3.5Å; T779-S786 PolarHBondContact OG1-OG 2.93Å
787	T	96.7	Very high	96.6	Very high	31 Å²	31	40.8 Å²	40.8	19%	0.19	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.2	171.7	62.1	0	0	0	0	110	C747 W764 K777	C747-T787 HydrophobicContact CB-CG2 3.87Å; W764-T787 HydrophobicContact CH2-CG2 3.81Å; W764-T787 HydrophobicContact CZ2-CG2 4.26Å; K777-T787 WeakPolarHBondContact O-CA 3.02Å
788	E	96.3	Very high	96.1	Very high	73 Å²	73	42.2 Å²	42.2	34%	0.341	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.3	-177	180	165.9	-132.2	0	0	111.5	M776 K777 T779 T790 R822	M776-E788 CarbonylContact C-O 3.53Å; M776-E788 WeakPolarHBondContact CA-O 3.42Å; K777-E788 PolarHBondContact N-O 3.22Å; K777-E788 PolarHBondContact O-N 2.04Å; T779-E788 HydrophobicContact CG2-CB 4.43Å; E788-T790 HydrophobicContact CG-CG2 4.49Å; E788-T790 PolarHBondContact O-N 3.15Å; E788-R822 IonicContact OE1-CZ 3.41Å; E788-R822 IonicContact OE1-NH1 2.64Å; E788-R822 PolarHBondContact OE1-NH1 3.5Å; E788-R822 IonicContact OE1-NH2 3.2Å; E788-R822 PolarHBondContact OE1-NH2 3.25Å
789	I	97.3	Very high	95.7	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	114	168.2	-62.9	157.5	0	0	0	107.6	T43 Y774 M776 V805 V828	T43-I789 WeakPolarHBondContact OG1-CD1 3.46Å; Y774-I789 HydrophobicContact CD1-CG2 3.66Å; Y774-I789 HydrophobicContact CG-CG2 4.28Å; M776-I789 HydrophobicContact CE-CG1 3.93Å; M776-I789 HydrophobicContact SD-CB 4.42Å; M776-I789 HydrophobicContact SD-CD1 4.5Å; M776-I789 HydrophobicContact SD-CG1 3.44Å; M776-I789 WeakPolarHBondContact SD-CG1 3.26Å; I789-V805 HydrophobicContact CG2-CG2 4Å; I789-V805 VanDerWaalsContact O-CG2 3.26Å; I789-V805 WeakPolarHBondContact O-CG2 3.05Å; I789-V828 HydrophobicContact CB-CB 4.25Å; I789-V828 HydrophobicContact CB-CG2 4.07Å; I789-V828 HydrophobicContact CD1-CB 3.82Å; I789-V828 HydrophobicContact CD1-CG2 4.15Å; I789-V828 HydrophobicContact CG2-CB 3.99Å; I789-V828 HydrophobicContact CG2-CG1 3.81Å; I789-V828 HydrophobicContact CG2-CG2 4.19Å
790	T	97.8	Very high	95.5	Very high	27 Å²	27	48 Å²	48	17%	0.166	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-31.9	-177.3	61.8	0	0	0	0	113	K775 K777 E788 T804 V805	K775-T790 PolarHBondContact O-N 2.81Å; K775-T790 PolarHBondContact O-OG1 3.28Å; K777-T790 HydrophobicContact CB-CG2 3.53Å; K777-T790 HydrophobicContact CD-CG2 3.99Å; K777-T790 HydrophobicContact CG-CG2 4.42Å; E788-T790 HydrophobicContact CG-CG2 4.49Å; E788-T790 PolarHBondContact O-N 3.15Å; T790-T804 WeakPolarHBondContact O-CA 3.17Å; T790-V805 PolarHBondContact O-N 2.81Å; T790-V805 VanDerWaalsContact O-N 3.1Å
791	H	98.2	Very high	95.5	Very high	47 Å²	47	47.1 Å²	47.1	22%	0.218	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	150.5	177.8	-50.4	63.3	0	0	0	110.2	Y774 K775 V802 I803	Y774-H791 WeakPolarHBondContact CA-O 3.37Å; K775-H791 HydrophobicContact CB-CB 3.85Å; K775-H791 PolarHBondContact N-O 2.87Å; K775-H791 PolarHBondContact O-N 3.02Å; H791-V802 HydrophobicContact CB-CG1 3.85Å; H791-I803 CarbonylContact C-O 3.57Å; H791-I803 WeakPolarHBondContact CA-O 3.42Å; H791-I803 VanDerWaalsContact CB-O 3.24Å; H791-I803 WeakPolarHBondContact CB-O 3.38Å
792	C	98.1	Very high	95.4	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	146.9	159.9	-53.9	0	0	0	0	109.1	Y774 V802 I803 F818 C820	Y774-C792 HydrophobicContact CD1-CB 4.4Å; Y774-C792 HydrophobicContact CE1-CB 4.47Å; C792-V802 WeakPolarHBondContact O-CA 3.39Å; C792-I803 HydrophobicContact CB-CG1 4.49Å; C792-I803 PolarHBondContact N-O 3.26Å; C792-I803 PolarHBondContact O-N 3.24Å; C792-F818 HydrophobicContact CB-CE1 4.39Å; C792-F818 HydrophobicContact CB-CE2 4.08Å; C792-F818 HydrophobicContact CB-CZ 3.52Å; C792-C820 HydrophobicContact CB-CB 3.55Å; C792-C820 WeakPolarHBondContact CB-SG 3.34Å; C792-C820 PolarHBondContact N-SG 2.79Å; C792-C820 VanDerWaalsContact SG-CA 3.56Å; C792-C820 WeakPolarHBondContact SG-CB 3.23Å; C792-C820 CovalentContact SG-SG 2.03Å; C792-C820 PolarHBondContact SG-SG 2.87Å
793	V	97.3	Very high	95.5	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	113.5	-178	179.6	0	0	0	0	108.8	S773 K775 S801 V802	S773-V793 PolarHBondContact N-O 3Å; S773-V793 WeakPolarHBondContact O-CA 3.25Å; S773-V793 PolarHBondContact O-N 2.67Å; S773-V793 WeakPolarHBondContact OG-CB 3.36Å; S773-V793 PolarHBondContact OG-O 3.32Å; K775-V793 HydrophobicContact CB-CG2 4.5Å; V793-S801 CarbonylContact C-O 3.56Å; V793-S801 WeakPolarHBondContact CA-O 3.49Å; V793-V802 HydrophobicContact CG1-CG2 4.2Å; V793-V802 HydrophobicContact CG2-CG1 4.18Å; V793-V802 HydrophobicContact CG2-CG2 4.12Å
794	A	96.1	Very high	95.5	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.5	170	0	0	0	0	0	108.9	P771 L772 L796 K800 S801 F818 V832	P771-A794 WeakPolarHBondContact O-CA 3.31Å; L772-A794 HydrophobicContact CD2-CB 4.17Å; A794-L796 HydrophobicContact CB-CD1 4.35Å; A794-L796 HydrophobicContact CB-CG 4.21Å; A794-K800 VanDerWaalsContact O-CA 3.31Å; A794-K800 WeakPolarHBondContact O-CA 3.32Å; A794-S801 PolarHBondContact N-O 3.22Å; A794-S801 PolarHBondContact O-N 2.85Å; A794-F818 HydrophobicContact CB-CD1 3.77Å; A794-F818 HydrophobicContact CB-CD2 4.1Å; A794-F818 HydrophobicContact CB-CE1 3.59Å; A794-F818 HydrophobicContact CB-CE2 3.97Å; A794-F818 HydrophobicContact CB-CG 4.02Å; A794-F818 HydrophobicContact CB-CZ 3.7Å; A794-V832 HydrophobicContact CB-CG2 4.4Å
795	N	94.2	Very high	95.6	Very high	31 Å²	31	43.7 Å²	43.7	17%	0.166	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	86.6	170.9	-58.3	-50.5	0	0	0	107.3	T768 S770 P771 S773 K800	T768-N795 PolarHBondContact O-ND2 2.95Å; S770-N795 PolarHBondContact O-ND2 3.48Å; P771-N795 WeakPolarHBondContact CA-O 3.02Å; P771-N795 PolarHBondContact O-N 2.82Å; S773-N795 PolarHBondContact OG-ND2 3.28Å; N795-K800 VanDerWaalsContact OD1-CE 3.27Å; N795-K800 WeakPolarHBondContact OD1-CE 3.43Å; N795-K800 PolarHBondContact OD1-NZ 3.46Å
796	L	92.7	Very high	95.6	Very high	26 Å²	26	46.2 Å²	46.2	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	149.4	179.6	-52.6	172.3	0	0	0	109.1	P771 A794 Y798 A799 L811 V832	P771-L796 HydrophobicContact CB-CD2 4.36Å; A794-L796 HydrophobicContact CB-CD1 4.35Å; A794-L796 HydrophobicContact CB-CG 4.21Å; L796-Y798 HydrophobicContact CB-CD1 4.34Å; L796-Y798 HydrophobicContact CB-CE1 4.02Å; L796-Y798 HydrophobicContact CB-CE2 4.48Å; L796-Y798 HydrophobicContact CD1-CE1 4.45Å; L796-Y798 HydrophobicContact CD1-CE2 4.25Å; L796-Y798 WeakPolarHBondContact CD1-OH 3.47Å; L796-Y798 PolarHBondContact O-N 3.44Å; L796-A799 WeakPolarHBondContact CB-O 3.06Å; L796-A799 PolarHBondContact N-O 2.91Å; L796-A799 CarbonylContact O-C 3.56Å; L796-A799 PolarHBondContact O-N 2.84Å; L796-A799 VanDerWaalsContact O-O 3.09Å; L796-L811 HydrophobicContact CD1-CD1 3.52Å; L796-V832 HydrophobicContact CD1-CG1 4.43Å; L796-V832 HydrophobicContact CD1-CG2 4.35Å
797	D	91.1	Very high	95.6	Very high	173 Å²	173	48.6 Å²	48.6	93%	0.925	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	-28.6	-173.6	-49	-40.9	0	0	0	113.9
798	Y	88.4	Confident	95.6	Very high	109 Å²	109	48.5 Å²	48.5	43%	0.427	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.1	-13.8	-179.3	56.7	-92	0	0	0	114.6	L796 T814	L796-Y798 HydrophobicContact CB-CD1 4.34Å; L796-Y798 HydrophobicContact CB-CE1 4.02Å; L796-Y798 HydrophobicContact CB-CE2 4.48Å; L796-Y798 HydrophobicContact CD1-CE1 4.45Å; L796-Y798 HydrophobicContact CD1-CE2 4.25Å; L796-Y798 WeakPolarHBondContact CD1-OH 3.47Å; L796-Y798 PolarHBondContact O-N 3.44Å; Y798-T814 HydrophobicContact CD2-CG2 4.1Å; Y798-T814 HydrophobicContact CE2-CG2 3.49Å; Y798-T814 VanDerWaalsContact CE2-CG2 3.49Å
799	A	89.4	Confident	95.5	Very high	20 Å²	20	47.6 Å²	47.6	17%	0.165	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	133.2	-175.2	0	0	0	0	0	113.2	L796	L796-A799 WeakPolarHBondContact CB-O 3.06Å; L796-A799 PolarHBondContact N-O 2.91Å; L796-A799 CarbonylContact O-C 3.56Å; L796-A799 PolarHBondContact O-N 2.84Å; L796-A799 VanDerWaalsContact O-O 3.09Å
800	K	94	Very high	95.4	Very high	131 Å²	131	49.6 Å²	49.6	57%	0.57	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.1	122.8	163.1	-175.1	166.6	-177.6	131.4	0	110	A794 N795	A794-K800 VanDerWaalsContact O-CA 3.31Å; A794-K800 WeakPolarHBondContact O-CA 3.32Å; N795-K800 VanDerWaalsContact OD1-CE 3.27Å; N795-K800 WeakPolarHBondContact OD1-CE 3.43Å; N795-K800 PolarHBondContact OD1-NZ 3.46Å
801	S	95.3	Very high	95.2	Very high	21 Å²	21	48.4 Å²	48.4	15%	0.147	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	143.4	179.5	-175.5	0	0	0	0	111.1	V793 A794	V793-S801 CarbonylContact C-O 3.56Å; V793-S801 WeakPolarHBondContact CA-O 3.49Å; A794-S801 PolarHBondContact N-O 3.22Å; A794-S801 PolarHBondContact O-N 2.85Å
802	V	96.8	Very high	94.8	Very high	73 Å²	73	50.4 Å²	50.4	44%	0.442	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	123	-178.8	-176.3	0	0	0	0	108.4	H791 C792 V793	H791-V802 HydrophobicContact CB-CG1 3.85Å; C792-V802 WeakPolarHBondContact O-CA 3.39Å; V793-V802 HydrophobicContact CG1-CG2 4.2Å; V793-V802 HydrophobicContact CG2-CG1 4.18Å; V793-V802 HydrophobicContact CG2-CG2 4.12Å
803	I	97.4	Very high	94.3	Very high	16 Å²	16	56.7 Å²	56.7	8%	0.082	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	139.4	179.8	55.8	-179.9	0	0	0	110.5	H791 C792 V809 F818 C820	H791-I803 CarbonylContact C-O 3.57Å; H791-I803 WeakPolarHBondContact CA-O 3.42Å; H791-I803 VanDerWaalsContact CB-O 3.24Å; H791-I803 WeakPolarHBondContact CB-O 3.38Å; C792-I803 HydrophobicContact CB-CG1 4.49Å; C792-I803 PolarHBondContact N-O 3.26Å; C792-I803 PolarHBondContact O-N 3.24Å; I803-V809 HydrophobicContact CG2-CB 3.94Å; I803-V809 HydrophobicContact CG2-CG1 3.48Å; I803-V809 VanDerWaalsContact CG2-CG1 3.48Å; I803-F818 HydrophobicContact CD1-CB 4.38Å; I803-F818 HydrophobicContact CD1-CD1 3.52Å; I803-F818 HydrophobicContact CD1-CD2 4.24Å; I803-F818 HydrophobicContact CD1-CE1 3.78Å; I803-F818 HydrophobicContact CD1-CE2 4.42Å; I803-F818 HydrophobicContact CD1-CG 3.78Å; I803-F818 HydrophobicContact CD1-CZ 4.22Å; I803-F818 WeakPolarHBondContact CD1-O 3.43Å; I803-F818 HydrophobicContact CG1-CD1 3.79Å; I803-F818 HydrophobicContact CG1-CE1 3.59Å; I803-F818 HydrophobicContact CG1-CZ 4.15Å; I803-F818 HydrophobicContact CG2-CD1 4.47Å; I803-C820 HydrophobicContact CD1-CB 3.65Å; I803-C820 HydrophobicContact CG1-CB 3.65Å
804	T	98	Very high	93.9	Very high	56 Å²	56	57.9 Å²	57.9	34%	0.344	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	152.4	173.8	46.3	0	0	0	0	111.5	T790 G806 N807	T790-T804 WeakPolarHBondContact O-CA 3.17Å; T804-G806 PolarHBondContact O-N 2.88Å; T804-N807 PolarHBondContact O-N 2.83Å; T804-N807 PolarHBondContact OG1-ND2 2.82Å
805	V	97.6	Very high	93.7	Very high	37 Å²	37	62.4 Å²	62.4	22%	0.224	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	135.4	171.3	-176.7	0	0	0	0	110	I789 T790 R822 V828	I789-V805 HydrophobicContact CG2-CG2 4Å; I789-V805 VanDerWaalsContact O-CG2 3.26Å; I789-V805 WeakPolarHBondContact O-CG2 3.05Å; T790-V805 PolarHBondContact O-N 2.81Å; T790-V805 VanDerWaalsContact O-N 3.1Å; V805-R822 HydrophobicContact CG1-CB 3.97Å; V805-V828 HydrophobicContact CG1-CG1 4.22Å; V805-V828 HydrophobicContact CG1-CG2 4.07Å; V805-V828 HydrophobicContact CG2-CG1 3.86Å; V805-V828 HydrophobicContact CG2-CG2 4.22Å
806	G	97.2	Very high	93.7	Very high	52 Å²	52	63.1 Å²	63.1	54%	0.536	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	104.3	-28.6	-172.5	0	0	0	0	0	113.1	T804 C820	T804-G806 PolarHBondContact O-N 2.88Å; G806-C820 PolarHBondContact N-O 3.38Å
807	N	97.7	Very high	93.9	Very high	92 Å²	92	61.9 Å²	61.9	49%	0.492	35%	0.345	S	S	.	.			trans	-96.7	163.2	-170.6	-73.6	-18.4	0	0	0	114.2	T804 C820	T804-N807 PolarHBondContact O-N 2.83Å; T804-N807 PolarHBondContact OG1-ND2 2.82Å; N807-C820 PolarHBondContact O-N 3.46Å
808	S	96.4	Very high	94.1	Very high	30 Å²	30	53.6 Å²	53.6	21%	0.21	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.4	171.4	-54.7	0	0	0	0	109.6	F818	S808-F818 CarbonylContact C-O 3.49Å; S808-F818 VanDerWaalsContact CA-O 3.28Å; S808-F818 WeakPolarHBondContact CA-O 3.33Å
809	V	95.3	Very high	94.6	Very high	54 Å²	54	48.8 Å²	48.8	33%	0.327	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	140.8	-179.4	74.7	0	0	0	0	110.8	I803 V817 F818	I803-V809 HydrophobicContact CG2-CB 3.94Å; I803-V809 HydrophobicContact CG2-CG1 3.48Å; I803-V809 VanDerWaalsContact CG2-CG1 3.48Å; V809-V817 WeakPolarHBondContact O-CA 3.2Å; V809-F818 HydrophobicContact CG1-CB 4.24Å; V809-F818 PolarHBondContact N-O 2.92Å; V809-F818 PolarHBondContact O-N 3.1Å
810	Q	94.8	Very high	95	Very high	44 Å²	44	47.8 Å²	47.8	21%	0.206	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	131.4	168.2	-173.5	175.8	-9.5	0	0	109.3	T814 G848	Q810-T814 PolarHBondContact NE2-O 2.91Å; Q810-G848 PolarHBondContact NE2-O 3.24Å; Q810-G848 VanDerWaalsContact NE2-O 3.13Å
811	L	94.2	Very high	95.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-77.9	131.4	-179.1	-71.6	169.3	0	0	0	110.4	L796 N813 T814 M816 F818 V832	L796-L811 HydrophobicContact CD1-CD1 3.52Å; L811-N813 PolarHBondContact O-N 3.46Å; L811-T814 WeakPolarHBondContact CB-OG1 3.31Å; L811-T814 PolarHBondContact O-N 2.89Å; L811-T814 PolarHBondContact O-OG1 2.7Å; L811-M816 HydrophobicContact CB-CB 4.48Å; L811-M816 HydrophobicContact CD1-CB 4Å; L811-M816 PolarHBondContact N-O 2.96Å; L811-F818 HydrophobicContact CD1-CB 4.09Å; L811-F818 HydrophobicContact CD2-CB 3.92Å; L811-F818 HydrophobicContact CG-CB 3.91Å; L811-V832 HydrophobicContact CD1-CG1 3.83Å; L811-V832 HydrophobicContact CD1-CG2 4.34Å
812	P	89.4	Confident	95.2	Very high	89 Å²	89	49.4 Å²	49.4	58%	0.578	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	140	-177.4	-29.6	35.5	0	0	0	113.3	T814	P812-T814 PolarHBondContact O-N 3.26Å; P812-T814 VanDerWaalsContact O-N 3.12Å
813	N	87	Confident	95.2	Very high	134 Å²	134	49.8 Å²	49.8	72%	0.717	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	19.9	178.2	-54.7	-14.9	0	0	0	115.1	L811	L811-N813 PolarHBondContact O-N 3.46Å
814	T	89.2	Confident	95	Very high	26 Å²	26	61.6 Å²	61.6	16%	0.16	32%	0.315	C	S	.	.	S	Bend	trans	-136.8	158.6	177.6	69.1	0	0	0	0	113.4	Y798 Q810 L811 P812 M816	Y798-T814 HydrophobicContact CD2-CG2 4.1Å; Y798-T814 HydrophobicContact CE2-CG2 3.49Å; Y798-T814 VanDerWaalsContact CE2-CG2 3.49Å; Q810-T814 PolarHBondContact NE2-O 2.91Å; L811-T814 WeakPolarHBondContact CB-OG1 3.31Å; L811-T814 PolarHBondContact O-N 2.89Å; L811-T814 PolarHBondContact O-OG1 2.7Å; P812-T814 PolarHBondContact O-N 3.26Å; P812-T814 VanDerWaalsContact O-N 3.12Å; T814-M816 PolarHBondContact O-N 2.9Å; T814-M816 PolarHBondContact OG1-N 3.21Å
815	M	92	Very high	94.9	Very high	96 Å²	96	64.3 Å²	64.3	47%	0.473	33%	0.327	S	S	.	.	S	Bend	trans	-87.5	34.8	167.5	-65.1	-67.1	176	0	0	111.6	S834 C835	M815-S834 CarbonylContact O-C 3.55Å; M815-S834 WeakPolarHBondContact O-CA 3.12Å; M815-C835 PolarHBondContact O-N 3.42Å
816	M	94.5	Very high	94.6	Very high	45 Å²	45	63.8 Å²	63.8	22%	0.222	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	141	179.3	-62.6	-66.6	-168.5	0	0	110.9	L811 T814 V832 M833	L811-M816 HydrophobicContact CB-CB 4.48Å; L811-M816 HydrophobicContact CD1-CB 4Å; L811-M816 PolarHBondContact N-O 2.96Å; T814-M816 PolarHBondContact O-N 2.9Å; T814-M816 PolarHBondContact OG1-N 3.21Å; M816-V832 HydrophobicContact CB-CG1 4.08Å; M816-V832 HydrophobicContact CG-CG1 4.43Å; M816-M833 CarbonylContact C-O 3.59Å; M816-M833 VanDerWaalsContact CA-O 3.3Å; M816-M833 WeakPolarHBondContact CA-O 3.39Å
817	V	95.4	Very high	94.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	126.8	171.3	-172.5	0	0	0	0	108.4	V809 T819 V832 M833 F838 F845 C847	V809-V817 WeakPolarHBondContact O-CA 3.2Å; V817-T819 HydrophobicContact CG1-CG2 3.89Å; V817-V832 WeakPolarHBondContact O-CA 3.41Å; V817-M833 PolarHBondContact N-O 2.76Å; V817-M833 PolarHBondContact O-N 3.48Å; V817-M833 VanDerWaalsContact O-N 3.11Å; V817-F838 HydrophobicContact CB-CB 4.08Å; V817-F838 HydrophobicContact CB-CD1 4.41Å; V817-F838 HydrophobicContact CB-CD2 4.21Å; V817-F838 HydrophobicContact CB-CG 3.96Å; V817-F838 HydrophobicContact CG1-CD1 4.05Å; V817-F838 HydrophobicContact CG1-CD2 3.92Å; V817-F838 HydrophobicContact CG1-CE1 4.2Å; V817-F838 HydrophobicContact CG1-CE2 4.09Å; V817-F838 HydrophobicContact CG1-CG 3.89Å; V817-F838 HydrophobicContact CG1-CZ 4.21Å; V817-F838 HydrophobicContact CG2-CB 3.88Å; V817-F838 HydrophobicContact CG2-CD1 4.15Å; V817-F838 HydrophobicContact CG2-CG 3.99Å; V817-F845 HydrophobicContact CG1-CE1 4.31Å; V817-F845 HydrophobicContact CG1-CZ 4.36Å; V817-F845 HydrophobicContact CG2-CD1 4.39Å; V817-F845 HydrophobicContact CG2-CE1 3.88Å; V817-C847 VanDerWaalsContact CG2-SG 3.52Å
818	F	96.9	Very high	94.5	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	131.5	168	179.4	-145.1	0	0	0	109.3	L772 C792 A794 I803 S808 V809 L811 V832	L772-F818 HydrophobicContact CD2-CD2 4.28Å; L772-F818 HydrophobicContact CD2-CE2 3.54Å; L772-F818 HydrophobicContact CD2-CZ 4.14Å; C792-F818 HydrophobicContact CB-CE1 4.39Å; C792-F818 HydrophobicContact CB-CE2 4.08Å; C792-F818 HydrophobicContact CB-CZ 3.52Å; A794-F818 HydrophobicContact CB-CD1 3.77Å; A794-F818 HydrophobicContact CB-CD2 4.1Å; A794-F818 HydrophobicContact CB-CE1 3.59Å; A794-F818 HydrophobicContact CB-CE2 3.97Å; A794-F818 HydrophobicContact CB-CG 4.02Å; A794-F818 HydrophobicContact CB-CZ 3.7Å; I803-F818 HydrophobicContact CD1-CB 4.38Å; I803-F818 HydrophobicContact CD1-CD1 3.52Å; I803-F818 HydrophobicContact CD1-CD2 4.24Å; I803-F818 HydrophobicContact CD1-CE1 3.78Å; I803-F818 HydrophobicContact CD1-CE2 4.42Å; I803-F818 HydrophobicContact CD1-CG 3.78Å; I803-F818 HydrophobicContact CD1-CZ 4.22Å; I803-F818 WeakPolarHBondContact CD1-O 3.43Å; I803-F818 HydrophobicContact CG1-CD1 3.79Å; I803-F818 HydrophobicContact CG1-CE1 3.59Å; I803-F818 HydrophobicContact CG1-CZ 4.15Å; I803-F818 HydrophobicContact CG2-CD1 4.47Å; S808-F818 CarbonylContact C-O 3.49Å; S808-F818 VanDerWaalsContact CA-O 3.28Å; S808-F818 WeakPolarHBondContact CA-O 3.33Å; V809-F818 HydrophobicContact CG1-CB 4.24Å; V809-F818 PolarHBondContact N-O 2.92Å; V809-F818 PolarHBondContact O-N 3.1Å; L811-F818 HydrophobicContact CD1-CB 4.09Å; L811-F818 HydrophobicContact CD2-CB 3.92Å; L811-F818 HydrophobicContact CG-CB 3.91Å; F818-V832 HydrophobicContact CB-CG2 4.2Å; F818-V832 HydrophobicContact CD2-CG2 3.63Å; F818-V832 HydrophobicContact CE2-CG2 4.38Å; F818-V832 HydrophobicContact CG-CG2 4.18Å
819	T	97.4	Very high	94.5	Very high	7 Å²	7	56.2 Å²	56.2	4%	0.043	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.9	-170	68.8	0	0	0	0	109.5	V817 G830 R831 M833 F838	V817-T819 HydrophobicContact CG1-CG2 3.89Å; T819-G830 WeakPolarHBondContact O-CA 3.35Å; T819-R831 PolarHBondContact N-O 3.13Å; T819-R831 PolarHBondContact O-N 2.81Å; T819-R831 WeakPolarHBondContact OG1-CB 3.5Å; T819-R831 PolarHBondContact OG1-O 2.69Å; T819-M833 HydrophobicContact CG2-CE 4.19Å; T819-F838 HydrophobicContact CG2-CD2 3.52Å; T819-F838 HydrophobicContact CG2-CE2 3.24Å; T819-F838 HydrophobicContact CG2-CZ 4.26Å
820	C	98	Very high	94.5	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	92.9	178.9	-172.2	0	0	0	0	110	C792 I803 G806 N807	C792-C820 HydrophobicContact CB-CB 3.55Å; C792-C820 WeakPolarHBondContact CB-SG 3.34Å; C792-C820 PolarHBondContact N-SG 2.79Å; C792-C820 VanDerWaalsContact SG-CA 3.56Å; C792-C820 WeakPolarHBondContact SG-CB 3.23Å; C792-C820 CovalentContact SG-SG 2.03Å; C792-C820 PolarHBondContact SG-SG 2.87Å; I803-C820 HydrophobicContact CD1-CB 3.65Å; I803-C820 HydrophobicContact CG1-CB 3.65Å; G806-C820 PolarHBondContact N-O 3.38Å; N807-C820 PolarHBondContact O-N 3.46Å
821	R	97.1	Very high	94.6	Very high	69 Å²	69	55.6 Å²	55.6	26%	0.26	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	141.4	-174.5	-63.4	-168.3	-172.4	150.5	9.4	112.1	V828 T829 I841 E842	R821-V828 WeakPolarHBondContact O-CA 3.44Å; R821-T829 PolarHBondContact N-O 3.37Å; R821-T829 VanDerWaalsContact N-O 3.14Å; R821-T829 PolarHBondContact O-N 3.48Å; R821-I841 VanDerWaalsContact NH1-CG2 3.28Å; R821-E842 IonicContact CZ-OE1 2.69Å; R821-E842 IonicContact NE-OE1 3.18Å; R821-E842 IonicContact NH1-OE1 2.87Å; R821-E842 IonicContact NH2-OE1 2.72Å; R821-E842 PolarHBondContact NH2-OE1 3.19Å; R821-E842 IonicContact NH2-OE2 3.72Å; R821-E842 PolarHBondContact NH2-OE2 3.46Å
822	R	97.1	Very high	94.7	Very high	117 Å²	117	56.1 Å²	56.1	44%	0.442	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.8	164.2	-166.1	170.6	-68.2	-175.9	2	108.4	E788 V805 T827 V828	E788-R822 IonicContact OE1-CZ 3.41Å; E788-R822 IonicContact OE1-NH1 2.64Å; E788-R822 PolarHBondContact OE1-NH1 3.5Å; E788-R822 IonicContact OE1-NH2 3.2Å; E788-R822 PolarHBondContact OE1-NH2 3.25Å; V805-R822 HydrophobicContact CG1-CB 3.97Å; R822-T827 CarbonylContact C-O 3.49Å; R822-T827 VanDerWaalsContact CA-O 3.25Å; R822-T827 WeakPolarHBondContact CA-O 3.48Å; R822-V828 HydrophobicContact CB-CG2 4.21Å; R822-V828 HydrophobicContact CG-CG2 4.19Å
823	Q	96.2	Very high	95	Very high	80 Å²	80	52.1 Å²	52.1	37%	0.374	24%	0.242	S	C	.	.			trans	-88.7	174	177.7	-59	-164	21.6	0	0	111.2	D825 G826 T827 T829	Q823-D825 WeakPolarHBondContact CB-OD1 3.31Å; Q823-D825 PolarHBondContact O-N 3.22Å; Q823-G826 PolarHBondContact O-N 3.23Å; Q823-T827 PolarHBondContact N-O 3.12Å; Q823-T829 PolarHBondContact NE2-OG1 2.84Å; Q823-T829 VanDerWaalsContact NE2-OG1 3.1Å
824	R	94.6	Very high	95.5	Very high	265 Å²	265	47.7 Å²	47.7	100%	1	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-20.6	-178	-64.8	-176.9	-177.9	172.5	0.2	113.8	G826	R824-G826 VanDerWaalsContact C-N 3.33Å
825	D	94.3	Very high	95.7	Very high	112 Å²	112	46.6 Å²	46.6	60%	0.599	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.2	2.1	174.7	67.1	-5.6	0	0	0	113.4	Q823 T827	Q823-D825 WeakPolarHBondContact CB-OD1 3.31Å; Q823-D825 PolarHBondContact O-N 3.22Å; D825-T827 VanDerWaalsContact C-N 3.3Å; D825-T827 PolarHBondContact O-N 2.82Å; D825-T827 VanDerWaalsContact OD1-CB 3.32Å; D825-T827 WeakPolarHBondContact OD1-CB 3.38Å; D825-T827 WeakPolarHBondContact OD1-CG2 3.34Å; D825-T827 PolarHBondContact OD1-N 3.39Å; D825-T827 PolarHBondContact OD1-OG1 3.04Å; D825-T827 WeakPolarHBondContact OD2-CG2 3.28Å; D825-T827 PolarHBondContact OD2-OG1 2.63Å
826	G	93.2	Very high	95.9	Very high	27 Å²	27	46.7 Å²	46.7	28%	0.278	22%	0.217	S	C	.	.	S	Bend	trans	83.2	-7.1	-176.6	0	0	0	0	0	115.1	Q823 R824	Q823-G826 PolarHBondContact O-N 3.23Å; R824-G826 VanDerWaalsContact C-N 3.33Å
827	T	94.7	Very high	96	Very high	8 Å²	8	47.7 Å²	47.7	5%	0.049	22%	0.221	C	C	.	.			trans	-63.1	149.5	174.2	61.2	0	0	0	0	111	T42 T44 R822 Q823 D825	T42-T827 HydrophobicContact CG2-CG2 4.04Å; T44-T827 HydrophobicContact CG2-CG2 3.64Å; R822-T827 CarbonylContact C-O 3.49Å; R822-T827 VanDerWaalsContact CA-O 3.25Å; R822-T827 WeakPolarHBondContact CA-O 3.48Å; Q823-T827 PolarHBondContact N-O 3.12Å; D825-T827 VanDerWaalsContact C-N 3.3Å; D825-T827 PolarHBondContact O-N 2.82Å; D825-T827 VanDerWaalsContact OD1-CB 3.32Å; D825-T827 WeakPolarHBondContact OD1-CB 3.38Å; D825-T827 WeakPolarHBondContact OD1-CG2 3.34Å; D825-T827 PolarHBondContact OD1-N 3.39Å; D825-T827 PolarHBondContact OD1-OG1 3.04Å; D825-T827 WeakPolarHBondContact OD2-CG2 3.28Å; D825-T827 PolarHBondContact OD2-OG1 2.63Å
828	V	96.6	Very high	96	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	128.8	169.5	180	0	0	0	0	108.9	T43 Y774 I789 V805 R821 R822	T43-V828 PolarHBondContact N-O 3.43Å; T43-V828 VanDerWaalsContact N-O 3.15Å; T43-V828 PolarHBondContact O-N 2.74Å; T43-V828 VanDerWaalsContact O-N 3.08Å; T43-V828 PolarHBondContact OG1-O 2.82Å; Y774-V828 HydrophobicContact CE1-CG1 4.37Å; I789-V828 HydrophobicContact CB-CB 4.25Å; I789-V828 HydrophobicContact CB-CG2 4.07Å; I789-V828 HydrophobicContact CD1-CB 3.82Å; I789-V828 HydrophobicContact CD1-CG2 4.15Å; I789-V828 HydrophobicContact CG2-CB 3.99Å; I789-V828 HydrophobicContact CG2-CG1 3.81Å; I789-V828 HydrophobicContact CG2-CG2 4.19Å; V805-V828 HydrophobicContact CG1-CG1 4.22Å; V805-V828 HydrophobicContact CG1-CG2 4.07Å; V805-V828 HydrophobicContact CG2-CG1 3.86Å; V805-V828 HydrophobicContact CG2-CG2 4.22Å; R821-V828 WeakPolarHBondContact O-CA 3.44Å; R822-V828 HydrophobicContact CB-CG2 4.21Å; R822-V828 HydrophobicContact CG-CG2 4.19Å
829	T	96.6	Very high	95.9	Very high	7 Å²	7	52.5 Å²	52.5	4%	0.043	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	121	173.5	45.5	0	0	0	0	110.8	T40 V41 T42 R821 Q823	T40-T829 HydrophobicContact CG2-CG2 4.47Å; V41-T829 WeakPolarHBondContact O-CA 3.34Å; T42-T829 HydrophobicContact CG2-CG2 3.79Å; T42-T829 VanDerWaalsContact OG1-CG2 3.28Å; T42-T829 WeakPolarHBondContact OG1-CG2 3.2Å; R821-T829 PolarHBondContact N-O 3.37Å; R821-T829 VanDerWaalsContact N-O 3.14Å; R821-T829 PolarHBondContact O-N 3.48Å; Q823-T829 PolarHBondContact NE2-OG1 2.84Å; Q823-T829 VanDerWaalsContact NE2-OG1 3.1Å
830	G	96.6	Very high	95.9	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	135.1	158	0	0	0	0	0	110.1	V41 L772 Y774 T819	V41-G830 PolarHBondContact N-O 3.16Å; L772-G830 WeakPolarHBondContact CD1-O 3.39Å; Y774-G830 PolarHBondContact OH-N 2.81Å; T819-G830 WeakPolarHBondContact O-CA 3.35Å
831	R	96.7	Very high	95.7	Very high	83 Å²	83	64.5 Å²	64.5	31%	0.313	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	139.5	169.6	-58.4	-174.6	174.8	167.2	1.6	111.7	I39 T40 T819 M833	I39-R831 WeakPolarHBondContact O-CA 3.41Å; T40-R831 HydrophobicContact CG2-CG 4.05Å; T40-R831 WeakPolarHBondContact OG1-CD 3.07Å; T40-R831 WeakPolarHBondContact OG1-CG 3.24Å; T40-R831 PolarHBondContact OG1-NE 2.04Å; T40-R831 VanDerWaalsContact OG1-NE 3.1Å; T819-R831 PolarHBondContact N-O 3.13Å; T819-R831 PolarHBondContact O-N 2.81Å; T819-R831 WeakPolarHBondContact OG1-CB 3.5Å; T819-R831 PolarHBondContact OG1-O 2.69Å; R831-M833 HydrophobicContact CB-CE 3.75Å
832	V	96.1	Very high	95.6	Very high	13 Å²	13	64.7 Å²	64.7	8%	0.079	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.9	166.3	179.2	0	0	0	0	107.9	I39 L772 A794 L796 L811 M816 V817 F818	I39-V832 PolarHBondContact O-N 2.94Å; L772-V832 HydrophobicContact CD2-CG2 4.22Å; A794-V832 HydrophobicContact CB-CG2 4.4Å; L796-V832 HydrophobicContact CD1-CG1 4.43Å; L796-V832 HydrophobicContact CD1-CG2 4.35Å; L811-V832 HydrophobicContact CD1-CG1 3.83Å; L811-V832 HydrophobicContact CD1-CG2 4.34Å; M816-V832 HydrophobicContact CB-CG1 4.08Å; M816-V832 HydrophobicContact CG-CG1 4.43Å; V817-V832 WeakPolarHBondContact O-CA 3.41Å; F818-V832 HydrophobicContact CB-CG2 4.2Å; F818-V832 HydrophobicContact CD2-CG2 3.63Å; F818-V832 HydrophobicContact CE2-CG2 4.38Å; F818-V832 HydrophobicContact CG-CG2 4.18Å
833	M	95.9	Very high	95.3	Very high	5 Å²	5	64.6 Å²	64.6	3%	0.025	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	167	-175.6	65.1	-174.6	73.5	0	0	110.8	T38 M816 V817 T819 R831 E837 F838 I841	T38-M833 HydrophobicContact CG2-CB 3.92Å; M816-M833 CarbonylContact C-O 3.59Å; M816-M833 VanDerWaalsContact CA-O 3.3Å; M816-M833 WeakPolarHBondContact CA-O 3.39Å; V817-M833 PolarHBondContact N-O 2.76Å; V817-M833 PolarHBondContact O-N 3.48Å; V817-M833 VanDerWaalsContact O-N 3.11Å; T819-M833 HydrophobicContact CG2-CE 4.19Å; R831-M833 HydrophobicContact CB-CE 3.75Å; M833-E837 HydrophobicContact CB-CB 4.23Å; M833-E837 HydrophobicContact CB-CG 4.22Å; M833-E837 HydrophobicContact CG-CB 4.46Å; M833-E837 HydrophobicContact SD-CB 4.46Å; M833-E837 HydrophobicContact SD-CG 4.13Å; M833-F838 HydrophobicContact CG-CB 4.11Å; M833-F838 HydrophobicContact CG-CD2 4.33Å; M833-F838 HydrophobicContact SD-CB 4Å; M833-F838 HydrophobicContact SD-CD2 3.74Å; M833-F838 HydrophobicContact SD-CG 4.39Å; M833-I841 HydrophobicContact CE-CD1 4.21Å; M833-I841 HydrophobicContact SD-CD1 3.79Å
834	S	95.7	Very high	95.1	Very high	41 Å²	41	64.5 Å²	64.5	29%	0.287	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	157.3	176.5	75	0	0	0	0	112.2	M815 D836 E837 F838	M815-S834 CarbonylContact O-C 3.55Å; M815-S834 WeakPolarHBondContact O-CA 3.12Å; S834-D836 PolarHBondContact O-N 3.33Å; S834-E837 PolarHBondContact O-N 3.01Å; S834-E837 VanDerWaalsContact O-N 3.13Å; S834-E837 PolarHBondContact OG-N 2.76Å; S834-F838 PolarHBondContact O-N 3.03Å
835	C	95.2	Very high	94.9	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.014	30%	0.296	C	S	.	.	H	α-helix	trans	-54	-35.5	172.5	-80.9	0	0	0	0	113.5	M815 F838 R839 C847	M815-C835 PolarHBondContact O-N 3.42Å; C835-F838 PolarHBondContact O-N 3.3Å; C835-R839 WeakPolarHBondContact O-CB 3.44Å; C835-R839 VanDerWaalsContact O-CG 3.31Å; C835-R839 WeakPolarHBondContact O-CG 3.03Å; C835-R839 PolarHBondContact O-N 3.22Å; C835-C847 HydrophobicContact CB-CB 3.72Å; C835-C847 WeakPolarHBondContact CB-SG 3.4Å; C835-C847 WeakPolarHBondContact SG-CB 3.38Å; C835-C847 CovalentContact SG-SG 2.04Å; C835-C847 PolarHBondContact SG-SG 2.85Å
836	D	94.9	Very high	94.6	Very high	99 Å²	99	53.9 Å²	53.9	53%	0.529	30%	0.302	S	S	.	.	H	α-helix	trans	-81.4	-20.9	-179.4	-52.3	-45.9	0	0	0	113.1	S834 R839 K840	S834-D836 PolarHBondContact O-N 3.33Å; D836-R839 IonicContact OD1-NH1 3.77Å; D836-K840 WeakPolarHBondContact O-CD 3.34Å; D836-K840 VanDerWaalsContact O-CE 3.31Å; D836-K840 WeakPolarHBondContact O-CE 3.3Å; D836-K840 WeakPolarHBondContact O-CG 3.34Å
837	E	96.3	Very high	94.4	Very high	65 Å²	65	53 Å²	53	30%	0.304	29%	0.292	S	S	.	.	H	α-helix	trans	-75.4	-45.8	165.7	-171.5	179.3	161.7	0	0	109.9	T38 M833 S834 R839 K840	T38-E837 PolarHBondContact OG1-OE1 3.12Å; T38-E837 PolarHBondContact OG1-OE2 3.39Å; M833-E837 HydrophobicContact CB-CB 4.23Å; M833-E837 HydrophobicContact CB-CG 4.22Å; M833-E837 HydrophobicContact CG-CB 4.46Å; M833-E837 HydrophobicContact SD-CB 4.46Å; M833-E837 HydrophobicContact SD-CG 4.13Å; S834-E837 PolarHBondContact O-N 3.01Å; S834-E837 VanDerWaalsContact O-N 3.13Å; S834-E837 PolarHBondContact OG-N 2.76Å; E837-R839 PolarHBondContact O-N 2.65Å; E837-K840 WeakPolarHBondContact O-CB 3.4Å; E837-K840 PolarHBondContact O-N 2.67Å; E837-K840 VanDerWaalsContact O-N 3.15Å
838	F	96	Very high	93.9	Very high	1 Å²	1	54.5 Å²	54.5	0%	0.004	31%	0.308	C	S	.	.	H	α-helix	trans	-63	-41.9	-179.3	-167.4	-101.5	0	0	0	113	V817 T819 M833 S834 C835 K840 I841 E842 F845	V817-F838 HydrophobicContact CB-CB 4.08Å; V817-F838 HydrophobicContact CB-CD1 4.41Å; V817-F838 HydrophobicContact CB-CD2 4.21Å; V817-F838 HydrophobicContact CB-CG 3.96Å; V817-F838 HydrophobicContact CG1-CD1 4.05Å; V817-F838 HydrophobicContact CG1-CD2 3.92Å; V817-F838 HydrophobicContact CG1-CE1 4.2Å; V817-F838 HydrophobicContact CG1-CE2 4.09Å; V817-F838 HydrophobicContact CG1-CG 3.89Å; V817-F838 HydrophobicContact CG1-CZ 4.21Å; V817-F838 HydrophobicContact CG2-CB 3.88Å; V817-F838 HydrophobicContact CG2-CD1 4.15Å; V817-F838 HydrophobicContact CG2-CG 3.99Å; T819-F838 HydrophobicContact CG2-CD2 3.52Å; T819-F838 HydrophobicContact CG2-CE2 3.24Å; T819-F838 HydrophobicContact CG2-CZ 4.26Å; M833-F838 HydrophobicContact CG-CB 4.11Å; M833-F838 HydrophobicContact CG-CD2 4.33Å; M833-F838 HydrophobicContact SD-CB 4Å; M833-F838 HydrophobicContact SD-CD2 3.74Å; M833-F838 HydrophobicContact SD-CG 4.39Å; S834-F838 PolarHBondContact O-N 3.03Å; C835-F838 PolarHBondContact O-N 3.3Å; F838-K840 PolarHBondContact O-N 3.49Å; F838-I841 CarbonylContact O-C 3.6Å; F838-I841 WeakPolarHBondContact O-CA 3.46Å; F838-I841 WeakPolarHBondContact O-CB 3.04Å; F838-I841 PolarHBondContact O-N 3.16Å; F838-E842 HydrophobicContact CE1-CB 4.01Å; F838-E842 WeakPolarHBondContact CE1-OE2 3.05Å; F838-E842 HydrophobicContact CZ-CB 4.33Å; F838-E842 HydrophobicContact CZ-CG 4.41Å; F838-E842 WeakPolarHBondContact CZ-OE2 3.48Å; F838-E842 PolarHBondContact O-N 3.37Å; F838-F845 HydrophobicContact CD1-CB 3.71Å; F838-F845 AromaticContact CD1-CD1 3.59Å; F838-F845 HydrophobicContact CD1-CD1 3.59Å; F838-F845 HydrophobicContact CD1-CD2 4.26Å; F838-F845 HydrophobicContact CD1-CE1 4.24Å; F838-F845 AromaticContact CD1-CG 3.6Å; F838-F845 HydrophobicContact CD1-CG 3.6Å; F838-F845 HydrophobicContact CE1-CB 3.57Å; F838-F845 AromaticContact CE1-CD1 3.78Å; F838-F845 HydrophobicContact CE1-CD1 3.78Å; F838-F845 AromaticContact CE1-CD2 3.58Å; F838-F845 HydrophobicContact CE1-CD2 3.58Å; F838-F845 HydrophobicContact CE1-CE1 4.33Å; F838-F845 HydrophobicContact CE1-CE2 4.15Å; F838-F845 AromaticContact CE1-CG 3.36Å; F838-F845 HydrophobicContact CE1-CG 3.36Å; F838-F845 HydrophobicContact CE1-CZ 4.49Å
839	R	95.4	Very high	92.9	Very high	101 Å²	101	63.8 Å²	63.8	38%	0.381	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.9	175.6	-80	172.5	174.4	155.2	-3.3	114.4	C835 D836 E837 I841 E842 P843 F845 C847	C835-R839 WeakPolarHBondContact O-CB 3.44Å; C835-R839 VanDerWaalsContact O-CG 3.31Å; C835-R839 WeakPolarHBondContact O-CG 3.03Å; C835-R839 PolarHBondContact O-N 3.22Å; D836-R839 IonicContact OD1-NH1 3.77Å; E837-R839 PolarHBondContact O-N 2.65Å; R839-I841 VanDerWaalsContact C-N 3.26Å; R839-E842 CarbonylContact O-C 3.51Å; R839-P843 VanDerWaalsContact O-CA 3.29Å; R839-P843 WeakPolarHBondContact O-CA 3.4Å; R839-F845 WeakPolarHBondContact CG-O 3.16Å; R839-F845 PolarHBondContact NE-O 3.06Å; R839-C847 PolarHBondContact NH2-O 2.77Å
840	K	96.1	Very high	91.2	Very high	177 Å²	177	65.3 Å²	65.3	77%	0.77	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-16.7	172.8	-64.8	168.6	-173.6	178.9	0	112.5	D836 E837 F838	D836-K840 WeakPolarHBondContact O-CD 3.34Å; D836-K840 VanDerWaalsContact O-CE 3.31Å; D836-K840 WeakPolarHBondContact O-CE 3.3Å; D836-K840 WeakPolarHBondContact O-CG 3.34Å; E837-K840 WeakPolarHBondContact O-CB 3.4Å; E837-K840 PolarHBondContact O-N 2.67Å; E837-K840 VanDerWaalsContact O-N 3.15Å; F838-K840 PolarHBondContact O-N 3.49Å
841	I	94.5	Very high	89.2	Confident	81 Å²	81	77.4 Å²	77.4	42%	0.415	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-39.6	179.3	-55	173.8	0	0	0	110.5	R821 M833 F838 R839	R821-I841 VanDerWaalsContact NH1-CG2 3.28Å; M833-I841 HydrophobicContact CE-CD1 4.21Å; M833-I841 HydrophobicContact SD-CD1 3.79Å; F838-I841 CarbonylContact O-C 3.6Å; F838-I841 WeakPolarHBondContact O-CA 3.46Å; F838-I841 WeakPolarHBondContact O-CB 3.04Å; F838-I841 PolarHBondContact O-N 3.16Å; R839-I841 VanDerWaalsContact C-N 3.26Å
842	E	94.6	Very high	86.8	Confident	73 Å²	73	84 Å²	84	34%	0.341	43%	0.434	S	S	.	.			trans	-128.2	91.2	172.1	-77.9	-179.6	-173.3	0	0	110.3	R821 F838 R839 G844 F845	R821-E842 IonicContact CZ-OE1 2.69Å; R821-E842 IonicContact NE-OE1 3.18Å; R821-E842 IonicContact NH1-OE1 2.87Å; R821-E842 IonicContact NH2-OE1 2.72Å; R821-E842 PolarHBondContact NH2-OE1 3.19Å; R821-E842 IonicContact NH2-OE2 3.72Å; R821-E842 PolarHBondContact NH2-OE2 3.46Å; F838-E842 HydrophobicContact CE1-CB 4.01Å; F838-E842 WeakPolarHBondContact CE1-OE2 3.05Å; F838-E842 HydrophobicContact CZ-CB 4.33Å; F838-E842 HydrophobicContact CZ-CG 4.41Å; F838-E842 WeakPolarHBondContact CZ-OE2 3.48Å; F838-E842 PolarHBondContact O-N 3.37Å; R839-E842 CarbonylContact O-C 3.51Å; E842-G844 PolarHBondContact O-N 3.38Å; E842-G844 VanDerWaalsContact O-N 3.09Å; E842-F845 HydrophobicContact CB-CB 4.39Å; E842-F845 PolarHBondContact O-N 3.49Å
843	P	91.8	Very high	86.3	Confident	116 Å²	116	87.5 Å²	87.5	75%	0.753	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-23.1	-177.6	-28.9	37.2	0	0	0	115.4	R839 F845	R839-P843 VanDerWaalsContact O-CA 3.29Å; R839-P843 WeakPolarHBondContact O-CA 3.4Å; P843-F845 VanDerWaalsContact C-N 3.32Å; P843-F845 PolarHBondContact O-N 3.13Å
844	G	91.3	Very high	85.8	Confident	77 Å²	77	91.8 Å²	91.8	79%	0.794	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.2	176.1	0	0	0	0	0	115.3	E842 S846	E842-G844 PolarHBondContact O-N 3.38Å; E842-G844 VanDerWaalsContact O-N 3.09Å; G844-S846 PolarHBondContact O-N 2.98Å; G844-S846 VanDerWaalsContact O-N 3.14Å
845	F	90	Very high	85.2	Confident	51 Å²	51	94.7 Å²	94.7	22%	0.224	49%	0.485	C	S	.	.			trans	-80	102.3	-172.7	-164.4	-95.6	0	0	0	113.2	V817 F838 R839 E842 P843 C847	V817-F845 HydrophobicContact CG1-CE1 4.31Å; V817-F845 HydrophobicContact CG1-CZ 4.36Å; V817-F845 HydrophobicContact CG2-CD1 4.39Å; V817-F845 HydrophobicContact CG2-CE1 3.88Å; F838-F845 HydrophobicContact CD1-CB 3.71Å; F838-F845 AromaticContact CD1-CD1 3.59Å; F838-F845 HydrophobicContact CD1-CD1 3.59Å; F838-F845 HydrophobicContact CD1-CD2 4.26Å; F838-F845 HydrophobicContact CD1-CE1 4.24Å; F838-F845 AromaticContact CD1-CG 3.6Å; F838-F845 HydrophobicContact CD1-CG 3.6Å; F838-F845 HydrophobicContact CE1-CB 3.57Å; F838-F845 AromaticContact CE1-CD1 3.78Å; F838-F845 HydrophobicContact CE1-CD1 3.78Å; F838-F845 AromaticContact CE1-CD2 3.58Å; F838-F845 HydrophobicContact CE1-CD2 3.58Å; F838-F845 HydrophobicContact CE1-CE1 4.33Å; F838-F845 HydrophobicContact CE1-CE2 4.15Å; F838-F845 AromaticContact CE1-CG 3.36Å; F838-F845 HydrophobicContact CE1-CG 3.36Å; F838-F845 HydrophobicContact CE1-CZ 4.49Å; R839-F845 WeakPolarHBondContact CG-O 3.16Å; R839-F845 PolarHBondContact NE-O 3.06Å; E842-F845 HydrophobicContact CB-CB 4.39Å; E842-F845 PolarHBondContact O-N 3.49Å; P843-F845 VanDerWaalsContact C-N 3.32Å; P843-F845 PolarHBondContact O-N 3.13Å; F845-C847 PolarHBondContact O-N 3.24Å
846	S	89.3	Confident	84.6	Confident	104 Å²	104	100.1 Å²	100.1	73%	0.727	51%	0.513	S	S	*	.			trans	-76.3	80.3	172.5	58.4	0	0	0	0	111.5	G844 G848	G844-S846 PolarHBondContact O-N 2.98Å; G844-S846 VanDerWaalsContact O-N 3.14Å; S846-G848 PolarHBondContact O-N 3.29Å; S846-G848 VanDerWaalsContact O-N 3.08Å
847	C	89	Confident	84	Confident	9 Å²	9	100.2 Å²	100.2	6%	0.061	51%	0.512	C	S	.	.			trans	-51	121	161.2	-85.4	0	0	0	0	109.3	V817 C835 R839 F845 K849	V817-C847 VanDerWaalsContact CG2-SG 3.52Å; C835-C847 HydrophobicContact CB-CB 3.72Å; C835-C847 WeakPolarHBondContact CB-SG 3.4Å; C835-C847 WeakPolarHBondContact SG-CB 3.38Å; C835-C847 CovalentContact SG-SG 2.04Å; C835-C847 PolarHBondContact SG-SG 2.85Å; R839-C847 PolarHBondContact NH2-O 2.77Å; F845-C847 PolarHBondContact O-N 3.24Å; C847-K849 PolarHBondContact O-N 3.33Å
848	G	83.7	Confident	83.2	Confident	38 Å²	38	102.5 Å²	102.5	39%	0.392	53%	0.525	S	S	.	.			trans	-65	132.7	178.6	0	0	0	0	0	109.8	Q810 S846 T850	Q810-G848 PolarHBondContact NE2-O 3.24Å; Q810-G848 VanDerWaalsContact NE2-O 3.13Å; S846-G848 PolarHBondContact O-N 3.29Å; S846-G848 VanDerWaalsContact O-N 3.08Å; G848-T850 PolarHBondContact O-N 3.48Å
849	K	75.8	Confident	82.3	Confident	196 Å²	196	109.8 Å²	109.8	85%	0.852	56%	0.563	S	S	*	*			trans	-63.9	103.5	163.1	-67.6	-176.9	180	-178.8	0	106.7	C847 R851	C847-K849 PolarHBondContact O-N 3.33Å; K849-R851 PolarHBondContact O-N 3.16Å
850	T	60.6	Low	81.3	Confident	39 Å²	39	110.5 Å²	110.5	24%	0.239	58%	0.577	C	S	.	*			trans	-55.6	114.8	168.4	42.6	0	0	0	0	107.8	G848 F852	G848-T850 PolarHBondContact O-N 3.48Å; T850-F852 VanDerWaalsContact C-N 3.33Å; T850-F852 WeakPolarHBondContact O-CD2 3.47Å; T850-F852 PolarHBondContact O-N 2.82Å; T850-F852 WeakPolarHBondContact OG1-CE2 3.43Å
851	R	54.4	Low	80	Confident	254 Å²	254	104.9 Å²	104.9	96%	0.958	56%	0.561	S	S	*	*			trans	-69.2	98.7	164.7	-66.7	-175.3	-176.6	-178.3	1.1	105.9	K849	K849-R851 PolarHBondContact O-N 3.16Å
852	F	45.4	Very low	78.7	Confident	221 Å²	221	107.1 Å²	107.1	97%	0.969	57%	0.574	S	S	*	*			trans	-72	0	165.8	-71.2	-78	0	0	0	109.7	T850	T850-F852 VanDerWaalsContact C-N 3.33Å; T850-F852 WeakPolarHBondContact O-CD2 3.47Å; T850-F852 PolarHBondContact O-N 2.82Å; T850-F852 WeakPolarHBondContact OG1-CE2 3.43Å

Retrieved 852 of 852 residues in 358.3 ms (Link to these results)

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